| 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 | 49.1 | Very low | 88.1 | Confident | 249 Ų | 249 | 84.3 Ų | 84.3 | 100% | 1.227 | 43% | 0.432 | S | S | * | . | 0 | 128.8 | 0 | -75.8 | -175.6 | -116 | 0 | 0 | 107.4 | |||||
| 2 | T | 65.8 | Low | 88.8 | Confident | 124 Ų | 124 | 83.8 Ų | 83.8 | 76% | 0.761 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 133.6 | 173.3 | -166.9 | 0 | 0 | 0 | 0 | 108.7 | R8 | T2-R8 PolarHBondContact OG1-NH1 3.26Å; T2-R8 VanDerWaalsContact OG1-NH1 3.15Å |
| 3 | T | 83.5 | Confident | 89.5 | Confident | 56 Ų | 56 | 85.1 Ų | 85.1 | 34% | 0.344 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 168.9 | 170.1 | 52 | 0 | 0 | 0 | 0 | 109.8 | R8 | T3-R8 PolarHBondContact O-NH1 3.3Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å |
| 4 | S | 92.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 85.1 Ų | 85.1 | 41% | 0.413 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 158.3 | 172.9 | 69.3 | 0 | 0 | 0 | 0 | 111 | K6 H7 R8 | S4-K6 VanDerWaalsContact C-N 3.27Å; S4-K6 PolarHBondContact O-N 3.08Å; S4-H7 WeakPolarHBondContact O-CB 3.4Å; S4-H7 PolarHBondContact O-N 3.46Å; S4-H7 WeakPolarHBondContact OG-CB 3.42Å; S4-H7 PolarHBondContact OG-N 3.13Å; S4-H7 VanDerWaalsContact OG-N 3.07Å; S4-R8 PolarHBondContact O-N 2.85Å; S4-R8 VanDerWaalsContact O-N 3.14Å |
| 5 | Q | 95.2 | Very high | 90.6 | Very high | 135 Ų | 135 | 79.9 Ų | 79.9 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -55.7 | -46.8 | 171.2 | 176.4 | 171.8 | 39.8 | 0 | 0 | 110.8 | H7 R8 D9 | Q5-H7 VanDerWaalsContact C-N 3.26Å; Q5-H7 PolarHBondContact O-N 3.36Å; Q5-R8 WeakPolarHBondContact O-CB 3.19Å; Q5-R8 PolarHBondContact O-N 3.32Å; Q5-D9 WeakPolarHBondContact CG-OD2 3.46Å; Q5-D9 PolarHBondContact O-N 2.67Å |
| 6 | K | 96.4 | Very high | 90.9 | Very high | 73 Ų | 73 | 78.2 Ų | 78.2 | 32% | 0.317 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.2 | -41 | 176.2 | -172.2 | 176.4 | -171.7 | -179.9 | 0 | 113.7 | S4 F10 G21 S22 L23 I26 | S4-K6 VanDerWaalsContact C-N 3.27Å; S4-K6 PolarHBondContact O-N 3.08Å; K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 2.84Å; K6-G21 WeakPolarHBondContact CE-O 3.48Å; K6-G21 PolarHBondContact NZ-O 3.4Å; K6-S22 WeakPolarHBondContact CE-O 3.36Å; K6-S22 WeakPolarHBondContact CG-O 3.48Å; K6-L23 WeakPolarHBondContact CE-O 3.34Å; K6-L23 PolarHBondContact NZ-O 3.04Å; K6-I26 PolarHBondContact NZ-O 3.06Å |
| 7 | H | 98 | Very high | 91.3 | Very high | 13 Ų | 13 | 81.9 Ų | 81.9 | 6% | 0.06 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.4 | -52.9 | 174.7 | -174.9 | 129.9 | 0 | 0 | 0 | 110.7 | S4 Q5 D9 F10 V11 A24 C80 E83 | S4-H7 WeakPolarHBondContact O-CB 3.4Å; S4-H7 PolarHBondContact O-N 3.46Å; S4-H7 WeakPolarHBondContact OG-CB 3.42Å; S4-H7 PolarHBondContact OG-N 3.13Å; S4-H7 VanDerWaalsContact OG-N 3.07Å; Q5-H7 VanDerWaalsContact C-N 3.26Å; Q5-H7 PolarHBondContact O-N 3.36Å; H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 2.9Å; H7-F10 PolarHBondContact O-N 3Å; H7-F10 VanDerWaalsContact O-N 3.16Å; H7-V11 WeakPolarHBondContact O-CG1 2.98Å; H7-V11 WeakPolarHBondContact O-CG2 3.39Å; H7-V11 PolarHBondContact O-N 2.89Å; H7-A24 HydrophobicContact CB-CB 3.78Å; H7-C80 VanDerWaalsContact CE1-CA 3.48Å; H7-C80 WeakPolarHBondContact CE1-CA 3.41Å; H7-C80 PolarHBondContact CE1-N 3.43Å; H7-E83 IonicContact CD2-OE2 3.68Å; H7-E83 IonicContact CE1-OE2 3.56Å; H7-E83 IonicContact NE2-OE2 3.44Å; H7-E83 PolarHBondContact NE2-OE2 2.88Å |
| 8 | R | 97.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 79.4 Ų | 79.4 | 41% | 0.408 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.1 | -45.9 | 179.8 | -70.1 | -170.1 | -68.5 | -84.7 | 0.6 | 111.9 | T2 T3 S4 Q5 F10 V11 A12 | T2-R8 PolarHBondContact OG1-NH1 3.26Å; T2-R8 VanDerWaalsContact OG1-NH1 3.15Å; T3-R8 PolarHBondContact O-NH1 3.3Å; T3-R8 WeakPolarHBondContact OG1-CG 3.26Å; S4-R8 PolarHBondContact O-N 2.85Å; S4-R8 VanDerWaalsContact O-N 3.14Å; Q5-R8 WeakPolarHBondContact O-CB 3.19Å; Q5-R8 PolarHBondContact O-N 3.32Å; R8-F10 VanDerWaalsContact C-N 3.28Å; R8-F10 PolarHBondContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 3Å; R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.16Å; R8-A12 PolarHBondContact O-N 2.94Å |
| 9 | D | 96.3 | Very high | 92.1 | Very high | 88 Ų | 88 | 78.7 Ų | 78.7 | 47% | 0.471 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | -179.5 | -59.7 | -12 | 0 | 0 | 0 | 111.3 | Q5 H7 | Q5-D9 WeakPolarHBondContact CG-OD2 3.46Å; Q5-D9 PolarHBondContact O-N 2.67Å; H7-D9 VanDerWaalsContact C-N 3.32Å; H7-D9 PolarHBondContact O-N 2.9Å |
| 10 | F | 97.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 74.8 Ų | 74.8 | 2% | 0.018 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.1 | -44.8 | 178 | -169.8 | -87.3 | 0 | 0 | 0 | 112.4 | K6 H7 R8 M15 K18 L23 A42 C80 W84 | K6-F10 WeakPolarHBondContact O-CB 3.35Å; K6-F10 PolarHBondContact O-N 2.84Å; H7-F10 PolarHBondContact O-N 3Å; H7-F10 VanDerWaalsContact O-N 3.16Å; R8-F10 VanDerWaalsContact C-N 3.28Å; R8-F10 PolarHBondContact O-N 3.13Å; F10-M15 HydrophobicContact CE1-CE 3.64Å; F10-M15 HydrophobicContact CE2-CG 4.33Å; F10-M15 HydrophobicContact CZ-CB 4.48Å; F10-M15 HydrophobicContact CZ-CE 3.45Å; F10-M15 VanDerWaalsContact CZ-CE 3.45Å; F10-M15 HydrophobicContact CZ-CG 3.71Å; F10-M15 HydrophobicContact CZ-SD 4.05Å; F10-K18 HydrophobicContact CD2-CD 3.99Å; F10-K18 HydrophobicContact CE2-CB 4.45Å; F10-K18 HydrophobicContact CE2-CD 3.92Å; F10-L23 HydrophobicContact CD1-CD2 4.29Å; F10-L23 HydrophobicContact CD2-CD2 4.36Å; F10-L23 HydrophobicContact CE1-CD2 3.66Å; F10-L23 HydrophobicContact CE2-CD2 3.74Å; F10-L23 HydrophobicContact CE2-CG 4.25Å; F10-L23 HydrophobicContact CZ-CD2 3.34Å; F10-L23 HydrophobicContact CZ-CG 4.27Å; F10-A42 HydrophobicContact CE2-CB 3.84Å; F10-A42 HydrophobicContact CZ-CB 3.85Å; F10-C80 WeakPolarHBondContact CD1-SG 3.44Å; F10-W84 HydrophobicContact CD1-CB 4.44Å; F10-W84 HydrophobicContact CD1-CG 4.43Å; F10-W84 HydrophobicContact CE1-CB 4.21Å; F10-W84 AromaticContact CE1-CD1 3.84Å; F10-W84 AromaticContact CE1-CG 3.99Å; F10-W84 HydrophobicContact CE1-CG 3.99Å |
| 11 | V | 97.3 | Very high | 92.7 | Very high | 18 Ų | 18 | 72.6 Ų | 72.6 | 11% | 0.109 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -83.4 | -8.1 | -175.4 | -54.1 | 0 | 0 | 0 | 0 | 113.8 | H7 R8 E13 E83 W84 F88 | H7-V11 WeakPolarHBondContact O-CG1 2.98Å; H7-V11 WeakPolarHBondContact O-CG2 3.39Å; H7-V11 PolarHBondContact O-N 2.89Å; R8-V11 PolarHBondContact O-N 3Å; V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.26Å; V11-E83 HydrophobicContact CB-CG 4.24Å; V11-E83 HydrophobicContact CG1-CB 4.14Å; V11-E83 HydrophobicContact CG1-CG 4.16Å; V11-E83 HydrophobicContact CG2-CG 4.35Å; V11-E83 WeakPolarHBondContact CG2-OE1 3.23Å; V11-W84 HydrophobicContact CG1-CB 4.27Å; V11-F88 WeakPolarHBondContact O-CE2 3.25Å |
| 12 | A | 97.2 | Very high | 95 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 65% | 0.653 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R8 | R8-A12 VanDerWaalsContact O-CB 3.26Å; R8-A12 WeakPolarHBondContact O-CB 3.16Å; R8-A12 PolarHBondContact O-N 2.94Å |
| 13 | E | 97.4 | Very high | 96.5 | Very high | 100 Ų | 100 | 56.4 Ų | 56.4 | 47% | 0.467 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -148.3 | 162.1 | -174.5 | 64.5 | -179.4 | -174.9 | 0 | 0 | 112.4 | V11 K18 W84 F88 | V11-E13 VanDerWaalsContact C-N 3.29Å; V11-E13 PolarHBondContact O-N 3.26Å; E13-K18 WeakPolarHBondContact OE1-CE 3.33Å; E13-K18 IonicContact OE1-NZ 2.67Å; E13-K18 PolarHBondContact OE1-NZ 3.21Å; E13-W84 PolarHBondContact O-NE1 3.25Å; E13-W84 VanDerWaalsContact O-NE1 3.08Å; E13-F88 VanDerWaalsContact C-CE2 3.47Å; E13-F88 WeakPolarHBondContact O-CE2 3.5Å |
| 14 | P | 97.7 | Very high | 97.2 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 56% | 0.558 | 31% | 0.307 | S | S | * | . | trans | -53.4 | 144.2 | 172 | -26.5 | 35.6 | 0 | 0 | 0 | 112.5 | G16 F88 | P14-G16 VanDerWaalsContact C-N 3.34Å; P14-G16 PolarHBondContact O-N 3.11Å; P14-F88 HydrophobicContact CG-CD1 3.98Å; P14-F88 HydrophobicContact CG-CE1 3.82Å; P14-F88 HydrophobicContact CG-CZ 4.49Å | ||
| 15 | M | 97.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | trans | -63.4 | -34.4 | -171.2 | -173.9 | 173.6 | -65.4 | 0 | 0 | 114.2 | F10 K18 A42 Y43 L46 L81 W84 | F10-M15 HydrophobicContact CE1-CE 3.64Å; F10-M15 HydrophobicContact CE2-CG 4.33Å; F10-M15 HydrophobicContact CZ-CB 4.48Å; F10-M15 HydrophobicContact CZ-CE 3.45Å; F10-M15 VanDerWaalsContact CZ-CE 3.45Å; F10-M15 HydrophobicContact CZ-CG 3.71Å; F10-M15 HydrophobicContact CZ-SD 4.05Å; M15-K18 WeakPolarHBondContact O-CB 3.43Å; M15-K18 WeakPolarHBondContact O-CD 3.37Å; M15-K18 WeakPolarHBondContact O-CG 3.32Å; M15-K18 PolarHBondContact O-N 3.22Å; M15-A42 HydrophobicContact CG-CB 3.84Å; M15-A42 HydrophobicContact SD-CB 3.69Å; M15-Y43 WeakPolarHBondContact SD-CA 3.47Å; M15-Y43 PolarHBondContact SD-N 3.44Å; M15-L46 HydrophobicContact CE-CB 4.03Å; M15-L46 HydrophobicContact CE-CD1 4.39Å; M15-L46 HydrophobicContact CE-CD2 4.01Å; M15-L46 HydrophobicContact CE-CG 4.35Å; M15-L46 HydrophobicContact SD-CB 4.11Å; M15-L46 HydrophobicContact SD-CD2 4.2Å; M15-L81 HydrophobicContact CE-CD2 3.93Å; M15-W84 HydrophobicContact CB-CD2 4.47Å; M15-W84 HydrophobicContact CB-CH2 4.25Å; M15-W84 HydrophobicContact CB-CZ2 3.53Å; M15-W84 HydrophobicContact CE-CD2 3.77Å; M15-W84 HydrophobicContact CE-CE3 3.85Å; M15-W84 HydrophobicContact CE-CG 4.21Å; M15-W84 HydrophobicContact CE-CZ3 4.27Å | ||
| 16 | G | 96.5 | Very high | 97.7 | Very high | 52 Ų | 52 | 45.4 Ų | 45.4 | 54% | 0.536 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | -141.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P14 | P14-G16 VanDerWaalsContact C-N 3.34Å; P14-G16 PolarHBondContact O-N 3.11Å |
| 17 | E | 97.9 | Very high | 97.7 | Very high | 142 Ų | 142 | 43.5 Ų | 43.5 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 28 | 178.4 | -58.8 | -164.6 | 127 | 0 | 0 | 113.4 | K41 | E17-K41 PolarHBondContact O-NZ 3.48Å; E17-K41 VanDerWaalsContact O-NZ 3.13Å |
| 18 | K | 98.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 49.5 Ų | 49.5 | 16% | 0.161 | 30% | 0.296 | C | S | . | . | trans | -53 | 136 | 178.3 | -75.2 | 176 | -174.5 | -177.5 | 0 | 110.4 | F10 E13 M15 A42 | F10-K18 HydrophobicContact CD2-CD 3.99Å; F10-K18 HydrophobicContact CE2-CB 4.45Å; F10-K18 HydrophobicContact CE2-CD 3.92Å; E13-K18 WeakPolarHBondContact OE1-CE 3.33Å; E13-K18 IonicContact OE1-NZ 2.67Å; E13-K18 PolarHBondContact OE1-NZ 3.21Å; M15-K18 WeakPolarHBondContact O-CB 3.43Å; M15-K18 WeakPolarHBondContact O-CD 3.37Å; M15-K18 WeakPolarHBondContact O-CG 3.32Å; M15-K18 PolarHBondContact O-N 3.22Å; K18-A42 HydrophobicContact CB-CB 4.44Å; K18-A42 PolarHBondContact O-N 3.43Å | ||
| 19 | P | 98.3 | Very high | 97.7 | Very high | 65 Ų | 65 | 49.1 Ų | 49.1 | 42% | 0.422 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -63.6 | 153.8 | 175.4 | 27.3 | -33.9 | 0 | 0 | 0 | 110.3 | G21 S22 | P19-G21 PolarHBondContact O-N 2.87Å; P19-G21 VanDerWaalsContact O-N 3.13Å; P19-S22 WeakPolarHBondContact CD-OG 3.49Å; P19-S22 WeakPolarHBondContact CG-OG 3.46Å; P19-S22 VanDerWaalsContact O-CB 3.23Å; P19-S22 WeakPolarHBondContact O-CB 3.38Å; P19-S22 PolarHBondContact O-N 3.02Å; P19-S22 PolarHBondContact O-OG 3.16Å |
| 20 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -55.9 | -33 | -178.9 | 69.4 | 0 | 0 | 0 | 0 | 112.6 | S22 L23 L34 E35 F39 D40 V45 | V20-S22 PolarHBondContact O-N 3.4Å; V20-L23 HydrophobicContact CG2-CD1 4.15Å; V20-L23 WeakPolarHBondContact O-CB 3.49Å; V20-L23 PolarHBondContact O-N 3.02Å; V20-L23 VanDerWaalsContact O-N 3.1Å; V20-L34 HydrophobicContact CG1-CB 4.2Å; V20-L34 HydrophobicContact CG2-CB 4.16Å; V20-L34 HydrophobicContact CG2-CD1 3.61Å; V20-L34 HydrophobicContact CG2-CG 4.47Å; V20-E35 HydrophobicContact CG1-CG 4.07Å; V20-F39 WeakPolarHBondContact CB-O 3.41Å; V20-F39 VanDerWaalsContact CG1-O 3.24Å; V20-F39 WeakPolarHBondContact CG1-O 3.27Å; V20-F39 WeakPolarHBondContact CG2-O 3.46Å; V20-D40 PolarHBondContact N-O 2.63Å; V20-V45 HydrophobicContact CG2-CG2 3.52Å |
| 21 | G | 98 | Very high | 97.8 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 30% | 0.299 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -63.9 | -1.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | K6 P19 | K6-G21 WeakPolarHBondContact CE-O 3.48Å; K6-G21 PolarHBondContact NZ-O 3.4Å; P19-G21 PolarHBondContact O-N 2.87Å; P19-G21 VanDerWaalsContact O-N 3.13Å |
| 22 | S | 98 | Very high | 97.9 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -84.7 | -19.5 | 172.3 | -49.1 | 0 | 0 | 0 | 0 | 112.8 | K6 P19 V20 | K6-S22 WeakPolarHBondContact CE-O 3.36Å; K6-S22 WeakPolarHBondContact CG-O 3.48Å; P19-S22 WeakPolarHBondContact CD-OG 3.49Å; P19-S22 WeakPolarHBondContact CG-OG 3.46Å; P19-S22 VanDerWaalsContact O-CB 3.23Å; P19-S22 WeakPolarHBondContact O-CB 3.38Å; P19-S22 PolarHBondContact O-N 3.02Å; P19-S22 PolarHBondContact O-OG 3.16Å; V20-S22 PolarHBondContact O-N 3.4Å |
| 23 | L | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -65.5 | 138.8 | 178.8 | -69.8 | 167.6 | 0 | 0 | 0 | 111 | K6 F10 V20 I26 A42 V45 L81 | K6-L23 WeakPolarHBondContact CE-O 3.34Å; K6-L23 PolarHBondContact NZ-O 3.04Å; F10-L23 HydrophobicContact CD1-CD2 4.29Å; F10-L23 HydrophobicContact CD2-CD2 4.36Å; F10-L23 HydrophobicContact CE1-CD2 3.66Å; F10-L23 HydrophobicContact CE2-CD2 3.74Å; F10-L23 HydrophobicContact CE2-CG 4.25Å; F10-L23 HydrophobicContact CZ-CD2 3.34Å; F10-L23 HydrophobicContact CZ-CG 4.27Å; V20-L23 HydrophobicContact CG2-CD1 4.15Å; V20-L23 WeakPolarHBondContact O-CB 3.49Å; V20-L23 PolarHBondContact O-N 3.02Å; V20-L23 VanDerWaalsContact O-N 3.1Å; L23-I26 HydrophobicContact CB-CB 4.16Å; L23-I26 HydrophobicContact CB-CG1 3.72Å; L23-I26 HydrophobicContact CD1-CG1 4.42Å; L23-I26 PolarHBondContact O-N 3.4Å; L23-A42 HydrophobicContact CD1-CB 4.33Å; L23-A42 HydrophobicContact CD2-CB 4.32Å; L23-A42 HydrophobicContact CG-CB 4.12Å; L23-V45 HydrophobicContact CD1-CB 3.94Å; L23-V45 HydrophobicContact CD1-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG2 4.26Å; L23-L81 HydrophobicContact CD2-CD2 3.58Å; L23-L81 HydrophobicContact CD2-CG 4.03Å |
| 24 | A | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | 145.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | H7 I26 C77 C80 | H7-A24 HydrophobicContact CB-CB 3.78Å; A24-I26 PolarHBondContact O-N 3.14Å; A24-I26 VanDerWaalsContact O-N 3.15Å; A24-C77 WeakPolarHBondContact O-CA 3.47Å; A24-C77 VanDerWaalsContact O-CB 3.27Å; A24-C77 WeakPolarHBondContact O-CB 3.39Å; A24-C77 PolarHBondContact O-N 3.05Å; A24-C80 HydrophobicContact CB-CB 3.67Å |
| 25 | G | 97.9 | Very high | 98.1 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | -18.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q73 | G25-Q73 WeakPolarHBondContact O-CB 3.44Å; G25-Q73 WeakPolarHBondContact O-CG 3.43Å |
| 26 | I | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | trans | -96.4 | 99.7 | 177.8 | -52.7 | -53.5 | 0 | 0 | 0 | 110.2 | K6 L23 A24 L30 L34 L63 C77 | K6-I26 PolarHBondContact NZ-O 3.06Å; L23-I26 HydrophobicContact CB-CB 4.16Å; L23-I26 HydrophobicContact CB-CG1 3.72Å; L23-I26 HydrophobicContact CD1-CG1 4.42Å; L23-I26 PolarHBondContact O-N 3.4Å; A24-I26 PolarHBondContact O-N 3.14Å; A24-I26 VanDerWaalsContact O-N 3.15Å; I26-L30 HydrophobicContact CD1-CD1 4.41Å; I26-L30 HydrophobicContact CG2-CB 4.1Å; I26-L34 HydrophobicContact CD1-CD1 4.03Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.94Å; I26-L63 HydrophobicContact CD1-CD1 4.14Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; I26-C77 HydrophobicContact CD1-CB 4.24Å; I26-C77 HydrophobicContact CG1-CB 4.44Å | ||
| 27 | G | 96.6 | Very high | 98.2 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | trans | -83.4 | 177.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V29 L30 G31 | G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 2.7Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.13Å; G27-G31 PolarHBondContact O-N 3.33Å | ||
| 28 | E | 97.6 | Very high | 98.2 | Very high | 139 Ų | 139 | 50.6 Ų | 50.6 | 65% | 0.65 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -51.6 | -46.7 | -178 | -172.4 | -172.2 | 161.9 | 0 | 0 | 113.3 | L30 G31 K32 | E28-L30 PolarHBondContact O-N 2.92Å; E28-G31 PolarHBondContact O-N 2.86Å; E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å |
| 29 | V | 98.2 | Very high | 98.2 | Very high | 100 Ų | 100 | 50.4 Ų | 50.4 | 61% | 0.606 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 111.8 | G27 K33 | G27-V29 VanDerWaalsContact C-N 3.33Å; G27-V29 PolarHBondContact O-N 2.7Å; V29-K33 WeakPolarHBondContact O-CG 3.42Å; V29-K33 PolarHBondContact O-N 3.13Å |
| 30 | L | 98.5 | Very high | 98.2 | Very high | 10 Ų | 10 | 50.8 Ų | 50.8 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -72.2 | -37.6 | 177.3 | -63.3 | -171.6 | 0 | 0 | 0 | 111.2 | I26 G27 E28 K33 L34 C67 A69 Q73 | I26-L30 HydrophobicContact CD1-CD1 4.41Å; I26-L30 HydrophobicContact CG2-CB 4.1Å; G27-L30 PolarHBondContact O-N 2.84Å; G27-L30 VanDerWaalsContact O-N 3.13Å; E28-L30 PolarHBondContact O-N 2.92Å; L30-K33 PolarHBondContact O-N 3.23Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 2.91Å; L30-C67 HydrophobicContact CD2-CB 4.29Å; L30-C67 WeakPolarHBondContact CD2-O 3.23Å; L30-A69 HydrophobicContact CD1-CB 3.91Å; L30-Q73 HydrophobicContact CD1-CB 4.13Å; L30-Q73 HydrophobicContact CD1-CG 4.21Å |
| 31 | G | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.1 | -49.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | G27 E28 K33 L34 E35 | G27-G31 PolarHBondContact O-N 3.33Å; E28-G31 PolarHBondContact O-N 2.86Å; G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 2.96Å; G31-L34 WeakPolarHBondContact O-CB 3.34Å; G31-L34 PolarHBondContact O-N 3.1Å; G31-L34 VanDerWaalsContact O-N 3.1Å; G31-E35 WeakPolarHBondContact O-CG 3.12Å; G31-E35 PolarHBondContact O-N 3.48Å |
| 32 | K | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 52 Ų | 52 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 176.1 | -71.9 | 179.7 | -174.7 | 169.9 | 0 | 112.5 | E28 L34 E35 E36 | E28-K32 WeakPolarHBondContact O-CG 3.31Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.7Å; E28-K32 PolarHBondContact OE1-NZ 3.24Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.87Å; K32-E35 PolarHBondContact O-N 3.14Å; K32-E36 WeakPolarHBondContact O-CB 3.02Å; K32-E36 VanDerWaalsContact O-CG 3.27Å; K32-E36 WeakPolarHBondContact O-CG 3.29Å; K32-E36 PolarHBondContact O-N 3.41Å |
| 33 | K | 98.6 | Very high | 98.2 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 34% | 0.335 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.3 | -31.1 | 177.4 | -71.7 | 177.6 | -178.4 | -175.3 | 0 | 113.4 | V29 L30 G31 R37 C67 | V29-K33 WeakPolarHBondContact O-CG 3.42Å; V29-K33 PolarHBondContact O-N 3.13Å; L30-K33 PolarHBondContact O-N 3.23Å; G31-K33 VanDerWaalsContact C-N 3.35Å; G31-K33 PolarHBondContact O-N 2.96Å; K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-NH1 3.34Å; K33-C67 HydrophobicContact CB-CB 3.82Å; K33-C67 HydrophobicContact CD-CB 4.37Å; K33-C67 WeakPolarHBondContact CD-O 3.38Å; K33-C67 PolarHBondContact NZ-O 3.07Å |
| 34 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.9 | -46.1 | 174.8 | -77.1 | 168.9 | 0 | 0 | 0 | 110.3 | V20 I26 L30 G31 K32 E36 R37 G38 F39 W62 L63 T66 C67 | V20-L34 HydrophobicContact CG1-CB 4.2Å; V20-L34 HydrophobicContact CG2-CB 4.16Å; V20-L34 HydrophobicContact CG2-CD1 3.61Å; V20-L34 HydrophobicContact CG2-CG 4.47Å; I26-L34 HydrophobicContact CD1-CD1 4.03Å; I26-L34 HydrophobicContact CG1-CD1 4.39Å; I26-L34 HydrophobicContact CG2-CD1 3.94Å; L30-L34 WeakPolarHBondContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CG 3.2Å; L30-L34 PolarHBondContact O-N 2.91Å; G31-L34 WeakPolarHBondContact O-CB 3.34Å; G31-L34 PolarHBondContact O-N 3.1Å; G31-L34 VanDerWaalsContact O-N 3.1Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-L34 PolarHBondContact O-N 2.87Å; L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 3.31Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 WeakPolarHBondContact O-CA 3.31Å; L34-R37 PolarHBondContact O-N 3.47Å; L34-G38 PolarHBondContact O-N 3.19Å; L34-F39 HydrophobicContact CB-CB 3.91Å; L34-F39 HydrophobicContact CD2-CB 4.04Å; L34-F39 HydrophobicContact CD2-CD2 4.38Å; L34-F39 HydrophobicContact CD2-CG 4.31Å; L34-F39 WeakPolarHBondContact O-CA 3.42Å; L34-F39 WeakPolarHBondContact O-CB 3.5Å; L34-F39 PolarHBondContact O-N 3.18Å; L34-W62 HydrophobicContact CD2-CH2 4.32Å; L34-L63 HydrophobicContact CD1-CD1 4.36Å; L34-L63 HydrophobicContact CD2-CD1 4.32Å; L34-T66 HydrophobicContact CD2-CG2 3.76Å; L34-C67 HydrophobicContact CD2-CB 4.15Å; L34-C67 HydrophobicContact CG-CB 3.92Å |
| 35 | E | 98.3 | Very high | 98.3 | Very high | 89 Ų | 89 | 57.5 Ų | 57.5 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.1 | -47 | 173.6 | -75.5 | 165.6 | -166.6 | 0 | 0 | 111.7 | V20 G31 K32 R37 G38 D40 | V20-E35 HydrophobicContact CG1-CG 4.07Å; G31-E35 WeakPolarHBondContact O-CG 3.12Å; G31-E35 PolarHBondContact O-N 3.48Å; K32-E35 PolarHBondContact O-N 3.14Å; E35-R37 PolarHBondContact O-N 3.36Å; E35-G38 PolarHBondContact O-N 2.93Å; E35-D40 HydrophobicContact CB-CB 4.49Å; E35-D40 HydrophobicContact CG-CB 3.92Å |
| 36 | E | 98.2 | Very high | 98.3 | Very high | 151 Ų | 151 | 57.5 Ų | 57.5 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.3 | 175.2 | -75.8 | 169.5 | -177.8 | 0 | 0 | 113.6 | K32 L34 | K32-E36 WeakPolarHBondContact O-CB 3.02Å; K32-E36 VanDerWaalsContact O-CG 3.27Å; K32-E36 WeakPolarHBondContact O-CG 3.29Å; K32-E36 PolarHBondContact O-N 3.41Å; L34-E36 VanDerWaalsContact C-N 3.35Å; L34-E36 PolarHBondContact O-N 3.31Å |
| 37 | R | 97.9 | Very high | 98.3 | Very high | 128 Ų | 128 | 59.1 Ų | 59.1 | 48% | 0.483 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 8.5 | 177.9 | -69.6 | 178 | 176.8 | 74.2 | -4.8 | 113.2 | K33 L34 E35 F39 T66 | K33-R37 WeakPolarHBondContact O-CG 3.47Å; K33-R37 PolarHBondContact O-NH1 3.34Å; L34-R37 CarbonylContact O-C 3.59Å; L34-R37 WeakPolarHBondContact O-CA 3.31Å; L34-R37 PolarHBondContact O-N 3.47Å; E35-R37 PolarHBondContact O-N 3.36Å; R37-F39 HydrophobicContact CB-CD2 3.97Å; R37-F39 HydrophobicContact CB-CE2 4.35Å; R37-T66 VanDerWaalsContact CD-CG2 3.48Å; R37-T66 VanDerWaalsContact CD-O 3.22Å; R37-T66 WeakPolarHBondContact CD-O 3.48Å; R37-T66 PolarHBondContact NE-O 3.1Å; R37-T66 PolarHBondContact NH1-O 3.15Å; R37-T66 VanDerWaalsContact NH1-O 3.14Å; R37-T66 PolarHBondContact NH2-O 2.64Å |
| 38 | G | 98.1 | Very high | 98.4 | Very high | 47 Ų | 47 | 59.6 Ų | 59.6 | 49% | 0.485 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | 11.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L34 E35 | L34-G38 PolarHBondContact O-N 3.19Å; E35-G38 PolarHBondContact O-N 2.93Å |
| 39 | F | 98.6 | Very high | 98.5 | Very high | 34 Ų | 34 | 53 Ų | 53 | 15% | 0.149 | 27% | 0.269 | C | S | . | . | trans | -100.5 | 58.4 | 174.5 | -63.7 | -86.5 | 0 | 0 | 0 | 110.3 | V20 L34 R37 V44 V45 Q48 W62 T66 | V20-F39 WeakPolarHBondContact CB-O 3.41Å; V20-F39 VanDerWaalsContact CG1-O 3.24Å; V20-F39 WeakPolarHBondContact CG1-O 3.27Å; V20-F39 WeakPolarHBondContact CG2-O 3.46Å; L34-F39 HydrophobicContact CB-CB 3.91Å; L34-F39 HydrophobicContact CD2-CB 4.04Å; L34-F39 HydrophobicContact CD2-CD2 4.38Å; L34-F39 HydrophobicContact CD2-CG 4.31Å; L34-F39 WeakPolarHBondContact O-CA 3.42Å; L34-F39 WeakPolarHBondContact O-CB 3.5Å; L34-F39 PolarHBondContact O-N 3.18Å; R37-F39 HydrophobicContact CB-CD2 3.97Å; R37-F39 HydrophobicContact CB-CE2 4.35Å; F39-V44 HydrophobicContact CD1-CB 4.2Å; F39-V44 HydrophobicContact CD1-CG1 3.55Å; F39-V44 HydrophobicContact CE1-CG1 3.96Å; F39-V44 HydrophobicContact CG-CG1 4.29Å; F39-V45 HydrophobicContact CB-CG2 3.94Å; F39-V45 HydrophobicContact CD1-CG2 4Å; F39-V45 HydrophobicContact CG-CG2 4.35Å; F39-Q48 HydrophobicContact CE1-CB 3.99Å; F39-Q48 HydrophobicContact CE1-CG 4.47Å; F39-W62 HydrophobicContact CD1-CH2 4.27Å; F39-W62 HydrophobicContact CD1-CZ2 4.16Å; F39-W62 HydrophobicContact CD2-CZ2 4.38Å; F39-W62 HydrophobicContact CE1-CH2 4.18Å; F39-W62 AromaticContact CE1-CZ2 3.72Å; F39-W62 HydrophobicContact CE1-CZ2 3.72Å; F39-W62 AromaticContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CG-CZ2 4.49Å; F39-W62 HydrophobicContact CZ-CH2 4.49Å; F39-W62 AromaticContact CZ-CZ2 3.62Å; F39-W62 HydrophobicContact CZ-CZ2 3.62Å; F39-T66 HydrophobicContact CD2-CG2 4.37Å; F39-T66 HydrophobicContact CE2-CG2 4.31Å | ||
| 40 | D | 98.1 | Very high | 98.5 | Very high | 72 Ų | 72 | 51.5 Ų | 51.5 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | trans | -79.8 | -28.9 | -175.6 | 68.9 | -40.4 | 0 | 0 | 0 | 113.5 | V20 E35 | V20-D40 PolarHBondContact N-O 2.63Å; E35-D40 HydrophobicContact CB-CB 4.49Å; E35-D40 HydrophobicContact CG-CB 3.92Å | ||
| 41 | K | 98.7 | Very high | 98.5 | Very high | 54 Ų | 54 | 56 Ų | 56 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -107.5 | 149.5 | 177.3 | -54.5 | -59.8 | -166 | 162.4 | 0 | 112.4 | E17 Y43 V44 | E17-K41 PolarHBondContact O-NZ 3.48Å; E17-K41 VanDerWaalsContact O-NZ 3.13Å; K41-Y43 HydrophobicContact CB-CD1 3.61Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE1 3.31Å; K41-Y43 HydrophobicContact CB-CE2 4.18Å; K41-Y43 HydrophobicContact CB-CG 4.17Å; K41-Y43 HydrophobicContact CD-CE1 4.46Å; K41-Y43 HydrophobicContact CG-CD1 4.3Å; K41-Y43 HydrophobicContact CG-CE1 3.51Å; K41-Y43 PolarHBondContact O-N 2.96Å; K41-V44 HydrophobicContact CB-CG2 4.12Å; K41-V44 WeakPolarHBondContact O-CB 3.42Å; K41-V44 PolarHBondContact O-N 2.9Å |
| 42 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.9 | -35.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F10 M15 K18 L23 V44 V45 L46 | F10-A42 HydrophobicContact CE2-CB 3.84Å; F10-A42 HydrophobicContact CZ-CB 3.85Å; M15-A42 HydrophobicContact CG-CB 3.84Å; M15-A42 HydrophobicContact SD-CB 3.69Å; K18-A42 HydrophobicContact CB-CB 4.44Å; K18-A42 PolarHBondContact O-N 3.43Å; L23-A42 HydrophobicContact CD1-CB 4.33Å; L23-A42 HydrophobicContact CD2-CB 4.32Å; L23-A42 HydrophobicContact CG-CB 4.12Å; A42-V44 VanDerWaalsContact C-N 3.26Å; A42-V44 PolarHBondContact O-N 3.3Å; A42-V45 PolarHBondContact O-N 2.96Å; A42-L46 PolarHBondContact O-N 2.99Å |
| 43 | Y | 98.5 | Very high | 98.5 | Very high | 108 Ų | 108 | 61.3 Ų | 61.3 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.2 | -24.2 | 178.8 | 66.7 | -107.9 | 0 | 0 | 0 | 113.1 | M15 K41 L46 G47 | M15-Y43 WeakPolarHBondContact SD-CA 3.47Å; M15-Y43 PolarHBondContact SD-N 3.44Å; K41-Y43 HydrophobicContact CB-CD1 3.61Å; K41-Y43 HydrophobicContact CB-CD2 4.45Å; K41-Y43 HydrophobicContact CB-CE1 3.31Å; K41-Y43 HydrophobicContact CB-CE2 4.18Å; K41-Y43 HydrophobicContact CB-CG 4.17Å; K41-Y43 HydrophobicContact CD-CE1 4.46Å; K41-Y43 HydrophobicContact CG-CD1 4.3Å; K41-Y43 HydrophobicContact CG-CE1 3.51Å; K41-Y43 PolarHBondContact O-N 2.96Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.49Å; Y43-G47 PolarHBondContact O-N 2.69Å |
| 44 | V | 98.6 | Very high | 98.5 | Very high | 41 Ų | 41 | 61.3 Ų | 61.3 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.8 | -41.6 | 175.6 | -172.1 | 0 | 0 | 0 | 0 | 109.5 | F39 K41 A42 G47 Q48 | F39-V44 HydrophobicContact CD1-CB 4.2Å; F39-V44 HydrophobicContact CD1-CG1 3.55Å; F39-V44 HydrophobicContact CE1-CG1 3.96Å; F39-V44 HydrophobicContact CG-CG1 4.29Å; K41-V44 HydrophobicContact CB-CG2 4.12Å; K41-V44 WeakPolarHBondContact O-CB 3.42Å; K41-V44 PolarHBondContact O-N 2.9Å; A42-V44 VanDerWaalsContact C-N 3.26Å; A42-V44 PolarHBondContact O-N 3.3Å; V44-G47 PolarHBondContact O-N 3Å; V44-Q48 PolarHBondContact O-N 3.32Å; V44-Q48 VanDerWaalsContact O-N 3.13Å |
| 45 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | V20 L23 F39 A42 G47 Q48 F49 F59 W62 L81 | V20-V45 HydrophobicContact CG2-CG2 3.52Å; L23-V45 HydrophobicContact CD1-CB 3.94Å; L23-V45 HydrophobicContact CD1-CG1 3.95Å; L23-V45 HydrophobicContact CD1-CG2 4.26Å; F39-V45 HydrophobicContact CB-CG2 3.94Å; F39-V45 HydrophobicContact CD1-CG2 4Å; F39-V45 HydrophobicContact CG-CG2 4.35Å; A42-V45 PolarHBondContact O-N 2.96Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 2.71Å; V45-Q48 PolarHBondContact O-N 2.9Å; V45-F49 WeakPolarHBondContact O-CB 3.44Å; V45-F49 PolarHBondContact O-N 3.37Å; V45-F59 HydrophobicContact CG1-CE2 4.09Å; V45-F59 HydrophobicContact CG1-CZ 4.05Å; V45-W62 HydrophobicContact CG1-CH2 4.09Å; V45-W62 HydrophobicContact CG1-CZ3 4.04Å; V45-W62 HydrophobicContact CG2-CH2 4.48Å; V45-L81 HydrophobicContact CG1-CD1 3.99Å |
| 46 | L | 98.7 | Very high | 98.5 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 170.8 | 178.1 | 70.2 | 0 | 0 | 0 | 111.1 | M15 A42 Y43 Q48 F49 L50 L81 W84 | M15-L46 HydrophobicContact CE-CB 4.03Å; M15-L46 HydrophobicContact CE-CD1 4.39Å; M15-L46 HydrophobicContact CE-CD2 4.01Å; M15-L46 HydrophobicContact CE-CG 4.35Å; M15-L46 HydrophobicContact SD-CB 4.11Å; M15-L46 HydrophobicContact SD-CD2 4.2Å; A42-L46 PolarHBondContact O-N 2.99Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.49Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.16Å; L46-F49 HydrophobicContact CD1-CD1 4.1Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.07Å; L46-F49 VanDerWaalsContact O-N 3.14Å; L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.2Å; L46-L81 HydrophobicContact CB-CD2 4.33Å; L46-L81 HydrophobicContact CD1-CD2 4.2Å; L46-W84 HydrophobicContact CD1-CE3 4.27Å; L46-W84 HydrophobicContact CD1-CZ3 4.31Å; L46-W84 HydrophobicContact CD2-CE3 4.21Å; L46-W84 HydrophobicContact CD2-CH2 4.16Å; L46-W84 HydrophobicContact CD2-CZ3 3.56Å |
| 47 | G | 98.5 | Very high | 98.5 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 35% | 0.351 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -54.7 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y43 V44 V45 L50 V51 | Y43-G47 PolarHBondContact O-N 2.69Å; V44-G47 PolarHBondContact O-N 3Å; V45-G47 VanDerWaalsContact C-N 3.33Å; V45-G47 PolarHBondContact O-N 2.71Å; G47-L50 PolarHBondContact O-N 3.15Å; G47-V51 WeakPolarHBondContact O-CG2 3.39Å; G47-V51 PolarHBondContact O-N 2.96Å |
| 48 | Q | 98.8 | Very high | 98.6 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 21% | 0.206 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 175.6 | -179.8 | 62.2 | 16.3 | 0 | 0 | 113.1 | F39 V44 V45 L46 L50 V51 L52 W62 | F39-Q48 HydrophobicContact CE1-CB 3.99Å; F39-Q48 HydrophobicContact CE1-CG 4.47Å; V44-Q48 PolarHBondContact O-N 3.32Å; V44-Q48 VanDerWaalsContact O-N 3.13Å; V45-Q48 PolarHBondContact O-N 2.9Å; L46-Q48 VanDerWaalsContact C-N 3.3Å; L46-Q48 PolarHBondContact O-N 3.16Å; Q48-L50 PolarHBondContact O-N 3.42Å; Q48-V51 PolarHBondContact O-N 2.89Å; Q48-L52 HydrophobicContact CG-CD1 4.35Å; Q48-L52 WeakPolarHBondContact O-CG 3.41Å; Q48-L52 PolarHBondContact O-N 3.23Å; Q48-W62 HydrophobicContact CB-CH2 4.28Å; Q48-W62 HydrophobicContact CB-CZ2 4.24Å; Q48-W62 HydrophobicContact CG-CD2 3.67Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 4Å; Q48-W62 HydrophobicContact CG-CG 4.3Å; Q48-W62 HydrophobicContact CG-CH2 3.92Å; Q48-W62 HydrophobicContact CG-CZ2 3.6Å; Q48-W62 HydrophobicContact CG-CZ3 4.1Å |
| 49 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.7 | -39 | 174.2 | 174.6 | -107.5 | 0 | 0 | 0 | 112.1 | V45 L46 L52 K53 K54 F59 F78 L81 R82 | V45-F49 WeakPolarHBondContact O-CB 3.44Å; V45-F49 PolarHBondContact O-N 3.37Å; L46-F49 HydrophobicContact CD1-CD1 4.1Å; L46-F49 WeakPolarHBondContact O-CB 3.35Å; L46-F49 PolarHBondContact O-N 3.07Å; L46-F49 VanDerWaalsContact O-N 3.14Å; F49-L52 CarbonylContact O-C 3.45Å; F49-K53 PolarHBondContact O-N 2.97Å; F49-K54 HydrophobicContact CD1-CG 4.02Å; F49-K54 HydrophobicContact CE1-CB 3.8Å; F49-K54 HydrophobicContact CE1-CD 3.84Å; F49-K54 HydrophobicContact CE1-CG 3.44Å; F49-K54 VanDerWaalsContact CE1-CG 3.44Å; F49-K54 HydrophobicContact CE2-CB 4.06Å; F49-K54 HydrophobicContact CZ-CB 3.52Å; F49-K54 HydrophobicContact CZ-CD 4.25Å; F49-K54 HydrophobicContact CZ-CG 3.75Å; F49-K54 PolarHBondContact O-N 3.31Å; F49-F59 HydrophobicContact CB-CD2 3.98Å; F49-F59 HydrophobicContact CB-CE2 3.85Å; F49-F59 HydrophobicContact CD2-CB 4.34Å; F49-F59 HydrophobicContact CD2-CD1 4.37Å; F49-F59 AromaticContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CE2 4.01Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CZ 4.5Å; F49-F59 HydrophobicContact CG-CD2 4.34Å; F49-F59 HydrophobicContact CG-CE2 4.42Å; F49-F78 HydrophobicContact CD2-CD2 4.39Å; F49-F78 AromaticContact CE2-CD2 3.57Å; F49-F78 HydrophobicContact CE2-CD2 3.57Å; F49-F78 AromaticContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CZ 4.49Å; F49-F78 HydrophobicContact CZ-CD2 4.44Å; F49-F78 HydrophobicContact CZ-CE2 4.14Å; F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CB 4.17Å; F49-L81 HydrophobicContact CD2-CB 4.43Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CG-CB 4.3Å; F49-L81 HydrophobicContact CG-CD1 4.12Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F49-R82 HydrophobicContact CZ-CB 4.33Å |
| 50 | L | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 58.1 Ų | 58.1 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -74 | -37.3 | 176.5 | -63.3 | 175 | 0 | 0 | 0 | 112.8 | L46 G47 Q48 L52 K53 K54 L89 | L46-L50 HydrophobicContact CD1-CD1 4.49Å; L46-L50 HydrophobicContact CD1-CG 4.37Å; L46-L50 HydrophobicContact CG-CD1 4.15Å; L46-L50 HydrophobicContact CG-CG 4.41Å; L46-L50 VanDerWaalsContact O-CG 3.31Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.2Å; G47-L50 PolarHBondContact O-N 3.15Å; Q48-L50 PolarHBondContact O-N 3.42Å; L50-L52 PolarHBondContact O-N 3.34Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 PolarHBondContact O-N 2.88Å; L50-K54 HydrophobicContact CD2-CD 4.44Å; L50-K54 VanDerWaalsContact CD2-CE 3.47Å; L50-K54 HydrophobicContact CD2-CG 4.18Å; L50-L89 HydrophobicContact CD1-CD2 3.96Å; L50-L89 HydrophobicContact CD2-CD2 3.78Å |
| 51 | V | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 60.2 Ų | 60.2 | 64% | 0.636 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -58.6 | -40.3 | 172.1 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | G47 Q48 K53 | G47-V51 WeakPolarHBondContact O-CG2 3.39Å; G47-V51 PolarHBondContact O-N 2.96Å; Q48-V51 PolarHBondContact O-N 2.89Å; V51-K53 PolarHBondContact O-N 3Å |
| 52 | L | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 11.9 | 174 | -60.3 | 177.8 | 0 | 0 | 0 | 113.3 | Q48 F49 L50 K54 D55 L58 F59 W62 | Q48-L52 HydrophobicContact CG-CD1 4.35Å; Q48-L52 WeakPolarHBondContact O-CG 3.41Å; Q48-L52 PolarHBondContact O-N 3.23Å; F49-L52 CarbonylContact O-C 3.45Å; L50-L52 PolarHBondContact O-N 3.34Å; L52-K54 PolarHBondContact O-N 3.21Å; L52-D55 VanDerWaalsContact O-CB 3.23Å; L52-D55 WeakPolarHBondContact O-CB 3.43Å; L52-D55 PolarHBondContact O-N 3.33Å; L52-L58 HydrophobicContact CB-CB 4.48Å; L52-L58 HydrophobicContact CD2-CB 4.38Å; L52-F59 HydrophobicContact CD1-CB 4.27Å; L52-F59 HydrophobicContact CD1-CD2 4.33Å; L52-W62 HydrophobicContact CD1-CB 3.75Å; L52-W62 HydrophobicContact CD1-CD2 4.46Å; L52-W62 HydrophobicContact CD1-CG 4.03Å |
| 53 | K | 98.4 | Very high | 98.6 | Very high | 183 Ų | 183 | 59.4 Ų | 59.4 | 80% | 0.796 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 31.2 | 176.1 | -56.1 | -178.3 | -179.5 | 177.4 | 0 | 114.1 | F49 L50 V51 D55 | F49-K53 PolarHBondContact O-N 2.97Å; L50-K53 WeakPolarHBondContact O-CA 3.42Å; L50-K53 PolarHBondContact O-N 2.88Å; V51-K53 PolarHBondContact O-N 3Å; K53-D55 PolarHBondContact O-N 3.28Å; K53-D55 VanDerWaalsContact O-N 3.17Å |
| 54 | K | 98.2 | Very high | 98.6 | Very high | 77 Ų | 77 | 60.3 Ų | 60.3 | 34% | 0.335 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 22.6 | -176 | -45.1 | -174.5 | 178.1 | 176.6 | 0 | 113 | F49 L50 L52 E56 F78 | F49-K54 HydrophobicContact CD1-CG 4.02Å; F49-K54 HydrophobicContact CE1-CB 3.8Å; F49-K54 HydrophobicContact CE1-CD 3.84Å; F49-K54 HydrophobicContact CE1-CG 3.44Å; F49-K54 VanDerWaalsContact CE1-CG 3.44Å; F49-K54 HydrophobicContact CE2-CB 4.06Å; F49-K54 HydrophobicContact CZ-CB 3.52Å; F49-K54 HydrophobicContact CZ-CD 4.25Å; F49-K54 HydrophobicContact CZ-CG 3.75Å; F49-K54 PolarHBondContact O-N 3.31Å; L50-K54 HydrophobicContact CD2-CD 4.44Å; L50-K54 VanDerWaalsContact CD2-CE 3.47Å; L50-K54 HydrophobicContact CD2-CG 4.18Å; L52-K54 PolarHBondContact O-N 3.21Å; K54-E56 PolarHBondContact O-N 2.96Å; K54-F78 WeakPolarHBondContact O-CE2 3.39Å |
| 55 | D | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 63.7 Ų | 63.7 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | trans | -71.3 | 126 | 177 | -174 | -76.2 | 0 | 0 | 0 | 110 | L52 K53 D57 L58 F59 | L52-D55 VanDerWaalsContact O-CB 3.23Å; L52-D55 WeakPolarHBondContact O-CB 3.43Å; L52-D55 PolarHBondContact O-N 3.33Å; K53-D55 PolarHBondContact O-N 3.28Å; K53-D55 VanDerWaalsContact O-N 3.17Å; D55-D57 PolarHBondContact OD1-N 3.24Å; D55-L58 HydrophobicContact CB-CB 4.09Å; D55-L58 HydrophobicContact CB-CD1 3.99Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 WeakPolarHBondContact OD1-CG 3.4Å; D55-L58 PolarHBondContact OD1-N 2.9Å; D55-F59 WeakPolarHBondContact O-CB 3.36Å; D55-F59 PolarHBondContact O-N 3.4Å | ||
| 56 | E | 98.6 | Very high | 98.6 | Very high | 64 Ų | 64 | 64.5 Ų | 64.5 | 30% | 0.299 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | -173.8 | -176.9 | 174.1 | 161.6 | 0 | 0 | 112.3 | K54 R60 F78 | K54-E56 PolarHBondContact O-N 2.96Å; E56-R60 VanDerWaalsContact CG-CD 3.47Å; E56-R60 HydrophobicContact CG-CG 4.28Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.07Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 2.95Å; E56-R60 IonicContact OE1-CZ 2.69Å; E56-R60 IonicContact OE1-NH1 2.76Å; E56-R60 PolarHBondContact OE1-NH1 2.83Å; E56-F78 HydrophobicContact CB-CD1 4.35Å; E56-F78 HydrophobicContact CB-CD2 4.12Å; E56-F78 HydrophobicContact CB-CE1 3.88Å; E56-F78 HydrophobicContact CB-CE2 3.63Å; E56-F78 HydrophobicContact CB-CG 4.47Å; E56-F78 HydrophobicContact CB-CZ 3.51Å; E56-F78 HydrophobicContact CG-CD1 3.87Å; E56-F78 HydrophobicContact CG-CD2 4.09Å; E56-F78 HydrophobicContact CG-CE1 3.85Å; E56-F78 HydrophobicContact CG-CE2 4.08Å; E56-F78 HydrophobicContact CG-CG 4Å; E56-F78 HydrophobicContact CG-CZ 3.98Å |
| 57 | D | 98.5 | Very high | 98.6 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 61% | 0.61 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -72.7 | -45.4 | -173.5 | -70.6 | -35.1 | 0 | 0 | 0 | 110.2 | D55 F59 R60 E61 | D55-D57 PolarHBondContact OD1-N 3.24Å; D57-F59 PolarHBondContact O-N 3.42Å; D57-R60 PolarHBondContact O-N 3.25Å; D57-E61 WeakPolarHBondContact O-CB 3.42Å; D57-E61 PolarHBondContact O-N 3.13Å |
| 58 | L | 98.7 | Very high | 98.6 | Very high | 86 Ų | 86 | 64.5 Ų | 64.5 | 45% | 0.45 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -42.4 | 175.9 | -65 | 178.8 | 0 | 0 | 0 | 112 | L52 D55 W62 | L52-L58 HydrophobicContact CB-CB 4.48Å; L52-L58 HydrophobicContact CD2-CB 4.38Å; D55-L58 HydrophobicContact CB-CB 4.09Å; D55-L58 HydrophobicContact CB-CD1 3.99Å; D55-L58 HydrophobicContact CB-CG 4.18Å; D55-L58 WeakPolarHBondContact OD1-CG 3.4Å; D55-L58 PolarHBondContact OD1-N 2.9Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.06Å; L58-W62 PolarHBondContact O-N 3.28Å |
| 59 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 179 | 179.2 | -98.6 | 0 | 0 | 0 | 112 | V45 F49 L52 D55 D57 W62 L63 C77 F78 L81 | V45-F59 HydrophobicContact CG1-CE2 4.09Å; V45-F59 HydrophobicContact CG1-CZ 4.05Å; F49-F59 HydrophobicContact CB-CD2 3.98Å; F49-F59 HydrophobicContact CB-CE2 3.85Å; F49-F59 HydrophobicContact CD2-CB 4.34Å; F49-F59 HydrophobicContact CD2-CD1 4.37Å; F49-F59 AromaticContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CD2 3.68Å; F49-F59 HydrophobicContact CD2-CE2 4.01Å; F49-F59 AromaticContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CG 3.86Å; F49-F59 HydrophobicContact CD2-CZ 4.5Å; F49-F59 HydrophobicContact CG-CD2 4.34Å; F49-F59 HydrophobicContact CG-CE2 4.42Å; L52-F59 HydrophobicContact CD1-CB 4.27Å; L52-F59 HydrophobicContact CD1-CD2 4.33Å; D55-F59 WeakPolarHBondContact O-CB 3.36Å; D55-F59 PolarHBondContact O-N 3.4Å; D57-F59 PolarHBondContact O-N 3.42Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.11Å; F59-W62 AromaticContact CE2-CE3 3.68Å; F59-W62 HydrophobicContact CE2-CE3 3.68Å; F59-W62 AromaticContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CE2-CZ3 3.48Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CZ-CE3 4.36Å; F59-W62 HydrophobicContact CZ-CZ3 4.01Å; F59-W62 PolarHBondContact O-N 3.37Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 3.49Å; F59-C77 HydrophobicContact CE1-CB 4.34Å; F59-F78 HydrophobicContact CB-CD2 4.28Å; F59-F78 HydrophobicContact CD1-CB 3.96Å; F59-F78 AromaticContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CG 4.48Å; F59-F78 HydrophobicContact CE1-CB 4.21Å; F59-F78 HydrophobicContact CG-CD2 4.38Å; F59-L81 HydrophobicContact CE1-CD1 4.23Å; F59-L81 HydrophobicContact CE2-CD1 3.96Å; F59-L81 HydrophobicContact CZ-CD1 3.5Å |
| 60 | R | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 66.5 Ų | 66.5 | 19% | 0.189 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -38.5 | -179.8 | -71.2 | 170.4 | 60.2 | -158 | -22 | 111.7 | E56 D57 K64 S74 | E56-R60 VanDerWaalsContact CG-CD 3.47Å; E56-R60 HydrophobicContact CG-CG 4.28Å; E56-R60 VanDerWaalsContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CB 3.3Å; E56-R60 WeakPolarHBondContact O-CD 3.07Å; E56-R60 WeakPolarHBondContact O-CG 3.27Å; E56-R60 PolarHBondContact O-N 2.95Å; E56-R60 IonicContact OE1-CZ 2.69Å; E56-R60 IonicContact OE1-NH1 2.76Å; E56-R60 PolarHBondContact OE1-NH1 2.83Å; D57-R60 PolarHBondContact O-N 3.25Å; R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 PolarHBondContact O-N 3.49Å; R60-K64 VanDerWaalsContact O-N 3.09Å; R60-S74 PolarHBondContact NE-OG 3.29Å |
| 61 | E | 98.8 | Very high | 98.5 | Very high | 115 Ų | 115 | 66.1 Ų | 66.1 | 54% | 0.537 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 171.9 | -176 | 171.6 | -162 | 0 | 0 | 110.9 | D57 L63 K64 D65 | D57-E61 WeakPolarHBondContact O-CB 3.42Å; D57-E61 PolarHBondContact O-N 3.13Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; E61-K64 WeakPolarHBondContact O-CB 3.22Å; E61-K64 PolarHBondContact O-N 3.15Å; E61-K64 VanDerWaalsContact O-N 3.15Å; E61-D65 PolarHBondContact O-N 2.87Å |
| 62 | W | 98.8 | Very high | 98.4 | Very high | 37 Ų | 37 | 67.5 Ų | 67.5 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -54.6 | -45.6 | 176.6 | 167.3 | 77.6 | 0 | 0 | 0 | 112.6 | L34 F39 V45 Q48 L52 L58 F59 K64 D65 T66 | L34-W62 HydrophobicContact CD2-CH2 4.32Å; F39-W62 HydrophobicContact CD1-CH2 4.27Å; F39-W62 HydrophobicContact CD1-CZ2 4.16Å; F39-W62 HydrophobicContact CD2-CZ2 4.38Å; F39-W62 HydrophobicContact CE1-CH2 4.18Å; F39-W62 AromaticContact CE1-CZ2 3.72Å; F39-W62 HydrophobicContact CE1-CZ2 3.72Å; F39-W62 AromaticContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CE2-CZ2 3.96Å; F39-W62 HydrophobicContact CG-CZ2 4.49Å; F39-W62 HydrophobicContact CZ-CH2 4.49Å; F39-W62 AromaticContact CZ-CZ2 3.62Å; F39-W62 HydrophobicContact CZ-CZ2 3.62Å; V45-W62 HydrophobicContact CG1-CH2 4.09Å; V45-W62 HydrophobicContact CG1-CZ3 4.04Å; V45-W62 HydrophobicContact CG2-CH2 4.48Å; Q48-W62 HydrophobicContact CB-CH2 4.28Å; Q48-W62 HydrophobicContact CB-CZ2 4.24Å; Q48-W62 HydrophobicContact CG-CD2 3.67Å; Q48-W62 VanDerWaalsContact CG-CE2 3.43Å; Q48-W62 HydrophobicContact CG-CE3 4Å; Q48-W62 HydrophobicContact CG-CG 4.3Å; Q48-W62 HydrophobicContact CG-CH2 3.92Å; Q48-W62 HydrophobicContact CG-CZ2 3.6Å; Q48-W62 HydrophobicContact CG-CZ3 4.1Å; L52-W62 HydrophobicContact CD1-CB 3.75Å; L52-W62 HydrophobicContact CD1-CD2 4.46Å; L52-W62 HydrophobicContact CD1-CG 4.03Å; L58-W62 VanDerWaalsContact O-CB 3.25Å; L58-W62 WeakPolarHBondContact O-CB 3.06Å; L58-W62 PolarHBondContact O-N 3.28Å; F59-W62 AromaticContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CE3 3.81Å; F59-W62 HydrophobicContact CD2-CZ3 4.11Å; F59-W62 AromaticContact CE2-CE3 3.68Å; F59-W62 HydrophobicContact CE2-CE3 3.68Å; F59-W62 AromaticContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CE2-CZ3 3.48Å; F59-W62 VanDerWaalsContact CE2-CZ3 3.48Å; F59-W62 HydrophobicContact CZ-CE3 4.36Å; F59-W62 HydrophobicContact CZ-CZ3 4.01Å; F59-W62 PolarHBondContact O-N 3.37Å; W62-K64 VanDerWaalsContact C-N 3.34Å; W62-K64 PolarHBondContact O-N 2.95Å; W62-D65 PolarHBondContact O-N 3.35Å; W62-T66 VanDerWaalsContact CE2-OG1 3.29Å; W62-T66 HydrophobicContact CZ2-CG2 3.98Å; W62-T66 PolarHBondContact NE1-OG1 3.44Å; W62-T66 WeakPolarHBondContact O-CB 3.25Å; W62-T66 PolarHBondContact O-N 3.37Å; W62-T66 PolarHBondContact O-OG1 2.76Å |
| 63 | L | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -37.8 | -178.2 | -168 | 72.7 | 0 | 0 | 0 | 111.6 | I26 L34 F59 E61 T66 C67 A69 C77 | I26-L63 HydrophobicContact CD1-CD1 4.14Å; I26-L63 HydrophobicContact CD1-CD2 4.01Å; L34-L63 HydrophobicContact CD1-CD1 4.36Å; L34-L63 HydrophobicContact CD2-CD1 4.32Å; F59-L63 HydrophobicContact CE1-CD2 4.35Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 3.49Å; E61-L63 VanDerWaalsContact C-N 3.32Å; E61-L63 PolarHBondContact O-N 2.97Å; L63-T66 PolarHBondContact O-N 3.47Å; L63-C67 PolarHBondContact O-N 3.31Å; L63-C67 PolarHBondContact O-SG 3.05Å; L63-A69 HydrophobicContact CB-CB 4.48Å; L63-A69 HydrophobicContact CD2-CB 3.78Å; L63-A69 HydrophobicContact CG-CB 3.79Å; L63-C77 HydrophobicContact CD2-CB 4Å |
| 64 | K | 98.6 | Very high | 98.4 | Very high | 128 Ų | 128 | 59.9 Ų | 59.9 | 56% | 0.557 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 173.3 | 178.7 | -171.6 | 171.6 | -160.9 | 0 | 110.8 | R60 E61 W62 T66 G68 | R60-K64 WeakPolarHBondContact O-CB 3.4Å; R60-K64 PolarHBondContact O-N 3.49Å; R60-K64 VanDerWaalsContact O-N 3.09Å; E61-K64 WeakPolarHBondContact O-CB 3.22Å; E61-K64 PolarHBondContact O-N 3.15Å; E61-K64 VanDerWaalsContact O-N 3.15Å; W62-K64 VanDerWaalsContact C-N 3.34Å; W62-K64 PolarHBondContact O-N 2.95Å; K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 2.91Å; K64-G68 WeakPolarHBondContact O-CA 3.19Å; K64-G68 PolarHBondContact O-N 3.14Å |
| 65 | D | 98.4 | Very high | 98.4 | Very high | 112 Ų | 112 | 63 Ų | 63 | 60% | 0.599 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -70.4 | -32.6 | -178.2 | -69.1 | -10.7 | 0 | 0 | 0 | 112.2 | E61 W62 | E61-D65 PolarHBondContact O-N 2.87Å; W62-D65 PolarHBondContact O-N 3.35Å |
| 66 | T | 98.3 | Very high | 98.4 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 10% | 0.104 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -76.6 | -44.8 | -178.5 | -58.5 | 0 | 0 | 0 | 0 | 112 | L34 R37 F39 W62 L63 K64 | L34-T66 HydrophobicContact CD2-CG2 3.76Å; R37-T66 VanDerWaalsContact CD-CG2 3.48Å; R37-T66 VanDerWaalsContact CD-O 3.22Å; R37-T66 WeakPolarHBondContact CD-O 3.48Å; R37-T66 PolarHBondContact NE-O 3.1Å; R37-T66 PolarHBondContact NH1-O 3.15Å; R37-T66 VanDerWaalsContact NH1-O 3.14Å; R37-T66 PolarHBondContact NH2-O 2.64Å; F39-T66 HydrophobicContact CD2-CG2 4.37Å; F39-T66 HydrophobicContact CE2-CG2 4.31Å; W62-T66 VanDerWaalsContact CE2-OG1 3.29Å; W62-T66 HydrophobicContact CZ2-CG2 3.98Å; W62-T66 PolarHBondContact NE1-OG1 3.44Å; W62-T66 WeakPolarHBondContact O-CB 3.25Å; W62-T66 PolarHBondContact O-N 3.37Å; W62-T66 PolarHBondContact O-OG1 2.76Å; L63-T66 PolarHBondContact O-N 3.47Å; K64-T66 VanDerWaalsContact C-N 3.32Å; K64-T66 PolarHBondContact O-N 2.91Å |
| 67 | C | 98.1 | Very high | 98.4 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 3% | 0.027 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -131 | 1.3 | -174.7 | 67.6 | 0 | 0 | 0 | 0 | 115.1 | L30 K33 L34 L63 | L30-C67 HydrophobicContact CD2-CB 4.29Å; L30-C67 WeakPolarHBondContact CD2-O 3.23Å; K33-C67 HydrophobicContact CB-CB 3.82Å; K33-C67 HydrophobicContact CD-CB 4.37Å; K33-C67 WeakPolarHBondContact CD-O 3.38Å; K33-C67 PolarHBondContact NZ-O 3.07Å; L34-C67 HydrophobicContact CD2-CB 4.15Å; L34-C67 HydrophobicContact CG-CB 3.92Å; L63-C67 PolarHBondContact O-N 3.31Å; L63-C67 PolarHBondContact O-SG 3.05Å |
| 68 | G | 98 | Very high | 98.4 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 51% | 0.505 | 28% | 0.276 | S | S | . | . | trans | 77.4 | 25 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K64 N70 | K64-G68 WeakPolarHBondContact O-CA 3.19Å; K64-G68 PolarHBondContact O-N 3.14Å; G68-N70 PolarHBondContact O-N 2.85Å | ||
| 69 | A | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 27% | 0.267 | C | S | . | . | trans | -60.4 | 135.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L30 L63 Q73 | L30-A69 HydrophobicContact CD1-CB 3.91Å; L63-A69 HydrophobicContact CB-CB 4.48Å; L63-A69 HydrophobicContact CD2-CB 3.78Å; L63-A69 HydrophobicContact CG-CB 3.79Å; A69-Q73 HydrophobicContact CB-CB 4.14Å | ||
| 70 | N | 98.3 | Very high | 98.4 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | trans | -81 | 172.5 | 173.4 | 70.8 | 41.6 | 0 | 0 | 0 | 111.9 | G68 K72 Q73 S74 | G68-N70 PolarHBondContact O-N 2.85Å; N70-K72 PolarHBondContact O-N 3.21Å; N70-K72 VanDerWaalsContact O-N 3.15Å; N70-K72 WeakPolarHBondContact OD1-CA 3.36Å; N70-K72 WeakPolarHBondContact OD1-CB 3.48Å; N70-K72 PolarHBondContact OD1-N 2.77Å; N70-Q73 VanDerWaalsContact CG-OE1 3.23Å; N70-Q73 PolarHBondContact ND2-OE1 3.48Å; N70-Q73 PolarHBondContact O-N 2.97Å; N70-Q73 VanDerWaalsContact O-N 3.13Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.5Å; N70-Q73 PolarHBondContact OD1-N 3.05Å; N70-S74 WeakPolarHBondContact O-CB 3.18Å; N70-S74 PolarHBondContact O-N 2.85Å; N70-S74 PolarHBondContact O-OG 3.21Å | ||
| 71 | A | 98.1 | Very high | 98.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 50% | 0.504 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.8 | -33.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | S74 R75 | A71-S74 PolarHBondContact O-OG 2.91Å; A71-R75 VanDerWaalsContact O-CB 3.25Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.31Å |
| 72 | K | 97.3 | Very high | 98.3 | Very high | 133 Ų | 133 | 50 Ų | 50 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -72.9 | -50 | 176.3 | 173.6 | 166.8 | 174.5 | 45 | 0 | 110.8 | N70 S74 R75 D76 | N70-K72 PolarHBondContact O-N 3.21Å; N70-K72 VanDerWaalsContact O-N 3.15Å; N70-K72 WeakPolarHBondContact OD1-CA 3.36Å; N70-K72 WeakPolarHBondContact OD1-CB 3.48Å; N70-K72 PolarHBondContact OD1-N 2.77Å; K72-S74 VanDerWaalsContact C-N 3.33Å; K72-S74 PolarHBondContact O-N 3.22Å; K72-R75 PolarHBondContact O-N 3.48Å; K72-D76 IonicContact NZ-OD1 2.87Å; K72-D76 PolarHBondContact NZ-OD1 3.32Å; K72-D76 IonicContact NZ-OD2 3.83Å; K72-D76 PolarHBondContact NZ-OD2 2.99Å; K72-D76 WeakPolarHBondContact O-CB 3.32Å; K72-D76 VanDerWaalsContact O-CG 3.22Å; K72-D76 PolarHBondContact O-N 3.01Å |
| 73 | Q | 98.2 | Very high | 98.3 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | -179.7 | -70.3 | 168.3 | -42.4 | 0 | 0 | 111.6 | G25 L30 A69 N70 R75 D76 C77 | G25-Q73 WeakPolarHBondContact O-CB 3.44Å; G25-Q73 WeakPolarHBondContact O-CG 3.43Å; L30-Q73 HydrophobicContact CD1-CB 4.13Å; L30-Q73 HydrophobicContact CD1-CG 4.21Å; A69-Q73 HydrophobicContact CB-CB 4.14Å; N70-Q73 VanDerWaalsContact CG-OE1 3.23Å; N70-Q73 PolarHBondContact ND2-OE1 3.48Å; N70-Q73 PolarHBondContact O-N 2.97Å; N70-Q73 VanDerWaalsContact O-N 3.13Å; N70-Q73 WeakPolarHBondContact OD1-CG 3.5Å; N70-Q73 PolarHBondContact OD1-N 3.05Å; Q73-R75 PolarHBondContact O-N 2.71Å; Q73-D76 PolarHBondContact O-N 3.5Å; Q73-C77 WeakPolarHBondContact O-CB 3.08Å; Q73-C77 PolarHBondContact O-N 3.05Å |
| 74 | S | 98.4 | Very high | 98.3 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.028 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 178.6 | 70 | 0 | 0 | 0 | 0 | 112.5 | R60 N70 A71 K72 F78 | R60-S74 PolarHBondContact NE-OG 3.29Å; N70-S74 WeakPolarHBondContact O-CB 3.18Å; N70-S74 PolarHBondContact O-N 2.85Å; N70-S74 PolarHBondContact O-OG 3.21Å; A71-S74 PolarHBondContact O-OG 2.91Å; K72-S74 VanDerWaalsContact C-N 3.33Å; K72-S74 PolarHBondContact O-N 3.22Å; S74-F78 VanDerWaalsContact O-CB 3.32Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.17Å |
| 75 | R | 98.1 | Very high | 98.3 | Very high | 143 Ų | 143 | 47.4 Ų | 47.4 | 54% | 0.54 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.2 | -43.4 | 177.5 | -174.6 | -177.8 | -60.8 | -160 | -1.5 | 111.8 | A71 K72 Q73 C77 F78 G79 | A71-R75 VanDerWaalsContact O-CB 3.25Å; A71-R75 WeakPolarHBondContact O-CB 3.45Å; A71-R75 PolarHBondContact O-N 3.31Å; K72-R75 PolarHBondContact O-N 3.48Å; Q73-R75 PolarHBondContact O-N 2.71Å; R75-C77 VanDerWaalsContact C-N 3.32Å; R75-C77 PolarHBondContact O-N 3.43Å; R75-F78 PolarHBondContact O-N 3.19Å; R75-G79 PolarHBondContact O-N 2.89Å |
| 76 | D | 98.2 | Very high | 98.3 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 29% | 0.289 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 177.9 | -69.2 | -12.3 | 0 | 0 | 0 | 110.4 | K72 Q73 C80 | K72-D76 IonicContact NZ-OD1 2.87Å; K72-D76 PolarHBondContact NZ-OD1 3.32Å; K72-D76 IonicContact NZ-OD2 3.83Å; K72-D76 PolarHBondContact NZ-OD2 2.99Å; K72-D76 WeakPolarHBondContact O-CB 3.32Å; K72-D76 VanDerWaalsContact O-CG 3.22Å; K72-D76 PolarHBondContact O-N 3.01Å; Q73-D76 PolarHBondContact O-N 3.5Å; D76-C80 VanDerWaalsContact O-CB 3.29Å; D76-C80 WeakPolarHBondContact O-CB 3.33Å; D76-C80 PolarHBondContact O-N 3.17Å |
| 77 | C | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 112.4 | A24 I26 F59 L63 Q73 R75 C80 L81 | A24-C77 WeakPolarHBondContact O-CA 3.47Å; A24-C77 VanDerWaalsContact O-CB 3.27Å; A24-C77 WeakPolarHBondContact O-CB 3.39Å; A24-C77 PolarHBondContact O-N 3.05Å; I26-C77 HydrophobicContact CD1-CB 4.24Å; I26-C77 HydrophobicContact CG1-CB 4.44Å; F59-C77 HydrophobicContact CE1-CB 4.34Å; L63-C77 HydrophobicContact CD2-CB 4Å; Q73-C77 WeakPolarHBondContact O-CB 3.08Å; Q73-C77 PolarHBondContact O-N 3.05Å; R75-C77 VanDerWaalsContact C-N 3.32Å; R75-C77 PolarHBondContact O-N 3.43Å; C77-C80 PolarHBondContact O-N 3.48Å; C77-L81 PolarHBondContact O-N 3.49Å |
| 78 | F | 98.7 | Very high | 98.2 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 4% | 0.044 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.2 | -50.5 | 175.9 | 175.5 | -93 | 0 | 0 | 0 | 111.4 | F49 K54 E56 F59 S74 R75 C80 L81 R82 | F49-F78 HydrophobicContact CD2-CD2 4.39Å; F49-F78 AromaticContact CE2-CD2 3.57Å; F49-F78 HydrophobicContact CE2-CD2 3.57Å; F49-F78 AromaticContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CE2 3.52Å; F49-F78 HydrophobicContact CE2-CZ 4.49Å; F49-F78 HydrophobicContact CZ-CD2 4.44Å; F49-F78 HydrophobicContact CZ-CE2 4.14Å; K54-F78 WeakPolarHBondContact O-CE2 3.39Å; E56-F78 HydrophobicContact CB-CD1 4.35Å; E56-F78 HydrophobicContact CB-CD2 4.12Å; E56-F78 HydrophobicContact CB-CE1 3.88Å; E56-F78 HydrophobicContact CB-CE2 3.63Å; E56-F78 HydrophobicContact CB-CG 4.47Å; E56-F78 HydrophobicContact CB-CZ 3.51Å; E56-F78 HydrophobicContact CG-CD1 3.87Å; E56-F78 HydrophobicContact CG-CD2 4.09Å; E56-F78 HydrophobicContact CG-CE1 3.85Å; E56-F78 HydrophobicContact CG-CE2 4.08Å; E56-F78 HydrophobicContact CG-CG 4Å; E56-F78 HydrophobicContact CG-CZ 3.98Å; F59-F78 HydrophobicContact CB-CD2 4.28Å; F59-F78 HydrophobicContact CD1-CB 3.96Å; F59-F78 AromaticContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CD2 3.96Å; F59-F78 HydrophobicContact CD1-CG 4.48Å; F59-F78 HydrophobicContact CE1-CB 4.21Å; F59-F78 HydrophobicContact CG-CD2 4.38Å; S74-F78 VanDerWaalsContact O-CB 3.32Å; S74-F78 WeakPolarHBondContact O-CB 3.49Å; S74-F78 PolarHBondContact O-N 3.17Å; R75-F78 PolarHBondContact O-N 3.19Å; F78-C80 VanDerWaalsContact C-N 3.29Å; F78-C80 PolarHBondContact O-N 3.45Å; F78-L81 PolarHBondContact O-N 2.93Å; F78-R82 HydrophobicContact CE1-CB 4.44Å; F78-R82 VanDerWaalsContact O-CB 3.3Å; F78-R82 WeakPolarHBondContact O-CB 3.42Å; F78-R82 PolarHBondContact O-N 2.99Å |
| 79 | G | 98.2 | Very high | 98 | Very high | 25 Ų | 25 | 58 Ų | 58 | 26% | 0.258 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -40.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R75 R82 E83 | R75-G79 PolarHBondContact O-N 2.89Å; G79-R82 PolarHBondContact O-N 3.15Å; G79-E83 WeakPolarHBondContact O-CB 3.46Å; G79-E83 PolarHBondContact O-N 3.25Å |
| 80 | C | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | H7 F10 A24 D76 C77 F78 W84 | H7-C80 VanDerWaalsContact CE1-CA 3.48Å; H7-C80 WeakPolarHBondContact CE1-CA 3.41Å; H7-C80 PolarHBondContact CE1-N 3.43Å; F10-C80 WeakPolarHBondContact CD1-SG 3.44Å; A24-C80 HydrophobicContact CB-CB 3.67Å; D76-C80 VanDerWaalsContact O-CB 3.29Å; D76-C80 WeakPolarHBondContact O-CB 3.33Å; D76-C80 PolarHBondContact O-N 3.17Å; C77-C80 PolarHBondContact O-N 3.48Å; F78-C80 VanDerWaalsContact C-N 3.29Å; F78-C80 PolarHBondContact O-N 3.45Å; C80-W84 VanDerWaalsContact O-CB 3.31Å; C80-W84 WeakPolarHBondContact O-CB 3.3Å; C80-W84 PolarHBondContact O-N 3.25Å |
| 81 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 177.3 | -72.7 | 170.7 | 0 | 0 | 0 | 112.5 | M15 L23 V45 L46 F49 F59 C77 F78 W84 C85 | M15-L81 HydrophobicContact CE-CD2 3.93Å; L23-L81 HydrophobicContact CD2-CD2 3.58Å; L23-L81 HydrophobicContact CD2-CG 4.03Å; V45-L81 HydrophobicContact CG1-CD1 3.99Å; L46-L81 HydrophobicContact CB-CD2 4.33Å; L46-L81 HydrophobicContact CD1-CD2 4.2Å; F49-L81 HydrophobicContact CB-CD1 4.05Å; F49-L81 HydrophobicContact CD1-CB 4.17Å; F49-L81 HydrophobicContact CD2-CB 4.43Å; F49-L81 HydrophobicContact CD2-CD1 4.28Å; F49-L81 HydrophobicContact CE1-CB 4.15Å; F49-L81 HydrophobicContact CE2-CB 4.42Å; F49-L81 HydrophobicContact CG-CB 4.3Å; F49-L81 HydrophobicContact CG-CD1 4.12Å; F49-L81 HydrophobicContact CZ-CB 4.28Å; F59-L81 HydrophobicContact CE1-CD1 4.23Å; F59-L81 HydrophobicContact CE2-CD1 3.96Å; F59-L81 HydrophobicContact CZ-CD1 3.5Å; C77-L81 PolarHBondContact O-N 3.49Å; F78-L81 PolarHBondContact O-N 2.93Å; L81-W84 PolarHBondContact O-N 3.25Å; L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.13Å; L81-C85 PolarHBondContact O-SG 3.44Å |
| 82 | R | 98.5 | Very high | 97.9 | Very high | 135 Ų | 135 | 59.5 Ų | 59.5 | 51% | 0.509 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -51.6 | 177.2 | -179.7 | 176 | 172.2 | 170.9 | -0.3 | 111.2 | F49 F78 G79 W84 C85 D86 | F49-R82 HydrophobicContact CZ-CB 4.33Å; F78-R82 HydrophobicContact CE1-CB 4.44Å; F78-R82 VanDerWaalsContact O-CB 3.3Å; F78-R82 WeakPolarHBondContact O-CB 3.42Å; F78-R82 PolarHBondContact O-N 2.99Å; G79-R82 PolarHBondContact O-N 3.15Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 3.17Å; R82-C85 WeakPolarHBondContact O-CB 3.11Å; R82-C85 PolarHBondContact O-N 3.35Å; R82-C85 VanDerWaalsContact O-N 3.16Å; R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 2.9Å |
| 83 | E | 98.3 | Very high | 98 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 41% | 0.411 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.5 | -38.5 | 178.5 | -175.9 | 174.3 | 162.1 | 0 | 0 | 111.7 | H7 V11 G79 C85 D86 A87 | H7-E83 IonicContact CD2-OE2 3.68Å; H7-E83 IonicContact CE1-OE2 3.56Å; H7-E83 IonicContact NE2-OE2 3.44Å; H7-E83 PolarHBondContact NE2-OE2 2.88Å; V11-E83 HydrophobicContact CB-CG 4.24Å; V11-E83 HydrophobicContact CG1-CB 4.14Å; V11-E83 HydrophobicContact CG1-CG 4.16Å; V11-E83 HydrophobicContact CG2-CG 4.35Å; V11-E83 WeakPolarHBondContact CG2-OE1 3.23Å; G79-E83 WeakPolarHBondContact O-CB 3.46Å; G79-E83 PolarHBondContact O-N 3.25Å; E83-C85 PolarHBondContact O-N 2.93Å; E83-D86 PolarHBondContact O-N 3.15Å; E83-A87 PolarHBondContact O-N 3.49Å |
| 84 | W | 98.4 | Very high | 98 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 173.2 | -173.5 | 90.5 | 0 | 0 | 0 | 112 | F10 V11 E13 M15 L46 C80 L81 R82 A87 F88 L89 | F10-W84 HydrophobicContact CD1-CB 4.44Å; F10-W84 HydrophobicContact CD1-CG 4.43Å; F10-W84 HydrophobicContact CE1-CB 4.21Å; F10-W84 AromaticContact CE1-CD1 3.84Å; F10-W84 AromaticContact CE1-CG 3.99Å; F10-W84 HydrophobicContact CE1-CG 3.99Å; V11-W84 HydrophobicContact CG1-CB 4.27Å; E13-W84 PolarHBondContact O-NE1 3.25Å; E13-W84 VanDerWaalsContact O-NE1 3.08Å; M15-W84 HydrophobicContact CB-CD2 4.47Å; M15-W84 HydrophobicContact CB-CH2 4.25Å; M15-W84 HydrophobicContact CB-CZ2 3.53Å; M15-W84 HydrophobicContact CE-CD2 3.77Å; M15-W84 HydrophobicContact CE-CE3 3.85Å; M15-W84 HydrophobicContact CE-CG 4.21Å; M15-W84 HydrophobicContact CE-CZ3 4.27Å; L46-W84 HydrophobicContact CD1-CE3 4.27Å; L46-W84 HydrophobicContact CD1-CZ3 4.31Å; L46-W84 HydrophobicContact CD2-CE3 4.21Å; L46-W84 HydrophobicContact CD2-CH2 4.16Å; L46-W84 HydrophobicContact CD2-CZ3 3.56Å; C80-W84 VanDerWaalsContact O-CB 3.31Å; C80-W84 WeakPolarHBondContact O-CB 3.3Å; C80-W84 PolarHBondContact O-N 3.25Å; L81-W84 PolarHBondContact O-N 3.25Å; R82-W84 VanDerWaalsContact C-N 3.32Å; R82-W84 PolarHBondContact O-N 3.17Å; W84-A87 PolarHBondContact O-N 3.09Å; W84-F88 AromaticContact CD1-CD2 3.66Å; W84-F88 HydrophobicContact CD2-CB 4.31Å; W84-F88 HydrophobicContact CD2-CD2 4.15Å; W84-F88 AromaticContact CE2-CD2 3.67Å; W84-F88 HydrophobicContact CG-CD2 4.11Å; W84-F88 HydrophobicContact CH2-CB 3.87Å; W84-F88 HydrophobicContact CZ2-CB 3.58Å; W84-F88 HydrophobicContact CZ2-CD2 4.22Å; W84-F88 HydrophobicContact CZ2-CG 4.12Å; W84-F88 HydrophobicContact CZ3-CB 4.33Å; W84-F88 AromaticContact NE1-CD2 3.34Å; W84-F88 VanDerWaalsContact NE1-CD2 3.34Å; W84-F88 AromaticContact NE1-CE2 3.88Å; W84-F88 PolarHBondContact O-N 2.92Å; W84-L89 HydrophobicContact CZ3-CB 4.33Å |
| 85 | C | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.5 | -70.5 | 0 | 0 | 0 | 0 | 111.2 | L81 R82 E83 A87 F88 L89 | L81-C85 WeakPolarHBondContact O-CB 3.38Å; L81-C85 PolarHBondContact O-N 3.13Å; L81-C85 PolarHBondContact O-SG 3.44Å; R82-C85 WeakPolarHBondContact O-CB 3.11Å; R82-C85 PolarHBondContact O-N 3.35Å; R82-C85 VanDerWaalsContact O-N 3.16Å; E83-C85 PolarHBondContact O-N 2.93Å; C85-A87 PolarHBondContact O-N 2.91Å; C85-A87 VanDerWaalsContact O-N 3.11Å; C85-F88 PolarHBondContact O-N 3.04Å; C85-L89 HydrophobicContact CB-CB 4.4Å; C85-L89 PolarHBondContact O-N 2.87Å |
| 86 | D | 97.8 | Very high | 97.9 | Very high | 119 Ų | 119 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.1 | -25.4 | -179 | -65.2 | -17 | 0 | 0 | 0 | 112.3 | R82 E83 | R82-D86 VanDerWaalsContact O-CG 3.31Å; R82-D86 PolarHBondContact O-N 2.9Å; E83-D86 PolarHBondContact O-N 3.15Å |
| 87 | A | 97.2 | Very high | 97.9 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 54% | 0.537 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -90.9 | -32.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E83 W84 C85 | E83-A87 PolarHBondContact O-N 3.49Å; W84-A87 PolarHBondContact O-N 3.09Å; C85-A87 PolarHBondContact O-N 2.91Å; C85-A87 VanDerWaalsContact O-N 3.11Å |
| 88 | F | 97.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -131.2 | -0.2 | -166.1 | -61.6 | -72.1 | 0 | 0 | 0 | 116 | V11 E13 P14 W84 C85 | V11-F88 WeakPolarHBondContact O-CE2 3.25Å; E13-F88 VanDerWaalsContact C-CE2 3.47Å; E13-F88 WeakPolarHBondContact O-CE2 3.5Å; P14-F88 HydrophobicContact CG-CD1 3.98Å; P14-F88 HydrophobicContact CG-CE1 3.82Å; P14-F88 HydrophobicContact CG-CZ 4.49Å; W84-F88 AromaticContact CD1-CD2 3.66Å; W84-F88 HydrophobicContact CD2-CB 4.31Å; W84-F88 HydrophobicContact CD2-CD2 4.15Å; W84-F88 AromaticContact CE2-CD2 3.67Å; W84-F88 HydrophobicContact CG-CD2 4.11Å; W84-F88 HydrophobicContact CH2-CB 3.87Å; W84-F88 HydrophobicContact CZ2-CB 3.58Å; W84-F88 HydrophobicContact CZ2-CD2 4.22Å; W84-F88 HydrophobicContact CZ2-CG 4.12Å; W84-F88 HydrophobicContact CZ3-CB 4.33Å; W84-F88 AromaticContact NE1-CD2 3.34Å; W84-F88 VanDerWaalsContact NE1-CD2 3.34Å; W84-F88 AromaticContact NE1-CE2 3.88Å; W84-F88 PolarHBondContact O-N 2.92Å; C85-F88 PolarHBondContact O-N 3.04Å |
| 89 | L | 94.3 | Very high | 97.8 | Very high | 137 Ų | 137 | 61.3 Ų | 61.3 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | trans | -135.5 | 0 | -179.7 | -179.4 | 67 | 0 | 0 | 0 | 112.8 | L50 W84 C85 | L50-L89 HydrophobicContact CD1-CD2 3.96Å; L50-L89 HydrophobicContact CD2-CD2 3.78Å; W84-L89 HydrophobicContact CZ3-CB 4.33Å; C85-L89 HydrophobicContact CB-CB 4.4Å; C85-L89 PolarHBondContact O-N 2.87Å |
Retrieved 89 of 89 residues in 19.8 ms
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