| 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 | 71.7 | Confident | 82.7 | Confident | 178 Ų | 178 | 81.8 Ų | 81.8 | 88% | 0.877 | 39% | 0.391 | S | S | * | . | 0 | -44.6 | 0 | -172.6 | -177.6 | -87.1 | 0 | 0 | 111 | G3 K4 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3Å; M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 3.4Å | |||
| 2 | L | 82.2 | Confident | 83.1 | Confident | 45 Ų | 45 | 83.5 Ų | 83.5 | 24% | 0.236 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -57.4 | -37.2 | -175.9 | -58.7 | 174.7 | 0 | 0 | 0 | 114.7 | K4 I5 I6 I32 I35 F36 | L2-K4 PolarHBondContact O-N 2.86Å; L2-K4 VanDerWaalsContact O-N 3.15Å; L2-I5 HydrophobicContact CD2-CD1 4.01Å; L2-I5 WeakPolarHBondContact O-CA 3.36Å; L2-I5 VanDerWaalsContact O-CB 3.29Å; L2-I5 WeakPolarHBondContact O-CB 3.34Å; L2-I5 PolarHBondContact O-N 2.82Å; L2-I6 PolarHBondContact O-N 3.34Å; L2-I6 VanDerWaalsContact O-N 3.12Å; L2-I32 HydrophobicContact CB-CG2 3.86Å; L2-I32 HydrophobicContact CD1-CG2 4.33Å; L2-I32 HydrophobicContact CD2-CG1 4.42Å; L2-I35 HydrophobicContact CD1-CB 3.88Å; L2-I35 HydrophobicContact CD1-CD1 4Å; L2-I35 HydrophobicContact CD1-CG2 3.47Å; L2-I35 VanDerWaalsContact CD1-CG2 3.47Å; L2-F36 HydrophobicContact CB-CE1 3.71Å; L2-F36 HydrophobicContact CB-CZ 4.11Å; L2-F36 HydrophobicContact CD1-CD1 4.4Å; L2-F36 HydrophobicContact CD1-CE1 4.22Å |
| 3 | G | 76 | Confident | 83.4 | Confident | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.8 | -25.6 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 C7 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3Å; G3-C7 PolarHBondContact O-N 3.23Å |
| 4 | K | 83.5 | Confident | 83.5 | Confident | 155 Ų | 155 | 72.3 Ų | 72.3 | 67% | 0.674 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.7 | -33 | 172.8 | -65.6 | -176.7 | 177.1 | 179.4 | 0 | 111.6 | M1 L2 C7 A8 | M1-K4 WeakPolarHBondContact O-CB 3.44Å; M1-K4 PolarHBondContact O-N 3.4Å; L2-K4 PolarHBondContact O-N 2.86Å; L2-K4 VanDerWaalsContact O-N 3.15Å; K4-C7 PolarHBondContact O-N 2.91Å; K4-A8 WeakPolarHBondContact O-CB 3.32Å; K4-A8 PolarHBondContact O-N 3.47Å |
| 5 | I | 84.6 | Confident | 83.5 | Confident | 61 Ų | 61 | 69.5 Ų | 69.5 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -48.1 | 175 | -56.5 | 177.5 | 0 | 0 | 0 | 109.1 | L2 C7 A8 R9 I32 | L2-I5 HydrophobicContact CD2-CD1 4.01Å; L2-I5 WeakPolarHBondContact O-CA 3.36Å; L2-I5 VanDerWaalsContact O-CB 3.29Å; L2-I5 WeakPolarHBondContact O-CB 3.34Å; L2-I5 PolarHBondContact O-N 2.82Å; I5-C7 PolarHBondContact O-N 3.15Å; I5-A8 PolarHBondContact O-N 2.95Å; I5-A8 VanDerWaalsContact O-N 3.15Å; I5-R9 PolarHBondContact O-N 2.77Å; I5-I32 HydrophobicContact CG2-CD1 4.31Å |
| 6 | I | 83.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 174.9 | -62.8 | 176.7 | 0 | 0 | 0 | 110.6 | L2 A8 R9 W10 Y13 F14 L29 I32 M33 F36 L58 | L2-I6 PolarHBondContact O-N 3.34Å; L2-I6 VanDerWaalsContact O-N 3.12Å; I6-A8 VanDerWaalsContact C-N 3.3Å; I6-A8 PolarHBondContact O-N 3.27Å; I6-R9 CarbonylContact O-C 3.22Å; I6-R9 PolarHBondContact O-N 3.29Å; I6-W10 WeakPolarHBondContact O-CA 3.45Å; I6-W10 VanDerWaalsContact O-CB 3.32Å; I6-W10 WeakPolarHBondContact O-CB 3.27Å; I6-W10 PolarHBondContact O-N 3.43Å; I6-Y13 HydrophobicContact CB-CD2 4.46Å; I6-Y13 HydrophobicContact CG1-CD2 4.37Å; I6-Y13 HydrophobicContact CG1-CE2 4.36Å; I6-Y13 HydrophobicContact CG2-CD2 4.32Å; I6-F14 HydrophobicContact CG2-CE2 3.48Å; I6-F14 VanDerWaalsContact CG2-CE2 3.48Å; I6-F14 HydrophobicContact CG2-CZ 3.97Å; I6-L29 HydrophobicContact CD1-CD1 4.4Å; I6-I32 HydrophobicContact CD1-CB 4.46Å; I6-I32 HydrophobicContact CD1-CG2 3.53Å; I6-I32 HydrophobicContact CG1-CD1 4.15Å; I6-I32 HydrophobicContact CG1-CG2 4.05Å; I6-M33 HydrophobicContact CD1-CE 3.71Å; I6-F36 HydrophobicContact CD1-CE2 4Å; I6-F36 HydrophobicContact CD1-CZ 4.45Å; I6-L58 HydrophobicContact CB-CD1 4.18Å; I6-L58 HydrophobicContact CB-CD2 3.83Å; I6-L58 HydrophobicContact CD1-CD1 3.84Å; I6-L58 HydrophobicContact CG2-CD1 4.13Å; I6-L58 HydrophobicContact CG2-CD2 3.54Å; I6-L58 HydrophobicContact CG2-CG 4.48Å |
| 7 | C | 84.7 | Confident | 83.3 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.9 | -38.3 | 175.9 | -83.2 | 0 | 0 | 0 | 0 | 113.2 | G3 K4 I5 W10 L58 | G3-C7 PolarHBondContact O-N 3.23Å; K4-C7 PolarHBondContact O-N 2.91Å; I5-C7 PolarHBondContact O-N 3.15Å; C7-W10 VanDerWaalsContact O-CD1 3.29Å; C7-L58 VanDerWaalsContact SG-CD2 3.53Å |
| 8 | A | 85.6 | Confident | 83.2 | Confident | 85 Ų | 85 | 66 Ų | 66 | 70% | 0.702 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -71.7 | -35.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K4 I5 I6 | K4-A8 WeakPolarHBondContact O-CB 3.32Å; K4-A8 PolarHBondContact O-N 3.47Å; I5-A8 PolarHBondContact O-N 2.95Å; I5-A8 VanDerWaalsContact O-N 3.15Å; I6-A8 VanDerWaalsContact C-N 3.3Å; I6-A8 PolarHBondContact O-N 3.27Å |
| 9 | R | 86.8 | Confident | 83.2 | Confident | 103 Ų | 103 | 70.4 Ų | 70.4 | 39% | 0.389 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -108.3 | 19.1 | -175.9 | -64.9 | -176.5 | 177.2 | -175.6 | -1.7 | 113.3 | I5 I6 R11 Q12 Y13 E28 | I5-R9 PolarHBondContact O-N 2.77Å; I6-R9 CarbonylContact O-C 3.22Å; I6-R9 PolarHBondContact O-N 3.29Å; R9-R11 PolarHBondContact O-N 2.98Å; R9-R11 VanDerWaalsContact O-N 3.08Å; R9-Q12 HydrophobicContact CB-CB 4.5Å; R9-Q12 WeakPolarHBondContact O-CA 2.95Å; R9-Q12 WeakPolarHBondContact O-CB 3.45Å; R9-Q12 PolarHBondContact O-N 2.87Å; R9-Y13 HydrophobicContact CB-CD2 3.91Å; R9-Y13 HydrophobicContact CB-CE2 3.5Å; R9-Y13 VanDerWaalsContact CB-CE2 3.5Å; R9-Y13 WeakPolarHBondContact CD-OH 2.94Å; R9-Y13 HydrophobicContact CG-CE2 4.46Å; R9-Y13 PolarHBondContact O-N 3.41Å; R9-Y13 VanDerWaalsContact O-N 3.13Å; R9-E28 VanDerWaalsContact NH1-CD 3.33Å; R9-E28 IonicContact NH1-OE1 3.07Å; R9-E28 PolarHBondContact NH1-OE1 3.08Å; R9-E28 VanDerWaalsContact NH1-OE1 3.07Å; R9-E28 IonicContact NH1-OE2 2.78Å; R9-E28 PolarHBondContact NH1-OE2 2.93Å |
| 10 | W | 85.5 | Confident | 83.3 | Confident | 67 Ų | 67 | 73 Ų | 73 | 25% | 0.254 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -34.7 | -167.7 | 75.9 | -92.8 | 0 | 0 | 0 | 113.7 | I6 C7 Q12 Y13 F14 H62 | I6-W10 WeakPolarHBondContact O-CA 3.45Å; I6-W10 VanDerWaalsContact O-CB 3.32Å; I6-W10 WeakPolarHBondContact O-CB 3.27Å; I6-W10 PolarHBondContact O-N 3.43Å; C7-W10 VanDerWaalsContact O-CD1 3.29Å; W10-Q12 VanDerWaalsContact C-N 3.29Å; W10-Q12 PolarHBondContact O-N 3.48Å; W10-Y13 PolarHBondContact O-N 3.13Å; W10-F14 HydrophobicContact CB-CD2 4.4Å; W10-F14 WeakPolarHBondContact O-CD2 3.17Å; W10-F14 PolarHBondContact O-N 2.85Å; W10-H62 AromaticContact CD1-CE1 3.52Å; W10-H62 AromaticContact CD1-NE2 3.99Å; W10-H62 AromaticContact CD2-CE1 3.99Å; W10-H62 AromaticContact CD2-ND1 3.72Å; W10-H62 AromaticContact CE2-ND1 3.96Å; W10-H62 AromaticContact CG-CE1 3.65Å; W10-H62 AromaticContact CG-ND1 3.74Å; W10-H62 AromaticContact NE1-CE1 3.73Å |
| 11 | R | 85.4 | Confident | 83.5 | Confident | 178 Ų | 178 | 70.1 Ų | 70.1 | 67% | 0.672 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -69 | -28.3 | 177.1 | -65.8 | -171.1 | 178.8 | 90.2 | -2.8 | 112.9 | R9 | R9-R11 PolarHBondContact O-N 2.98Å; R9-R11 VanDerWaalsContact O-N 3.08Å |
| 12 | Q | 87.1 | Confident | 84.4 | Confident | 102 Ų | 102 | 65.6 Ų | 65.6 | 48% | 0.477 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -75.5 | -44.5 | 175.8 | -63.7 | 175 | -29.1 | 0 | 0 | 109.7 | R9 W10 L21 | R9-Q12 HydrophobicContact CB-CB 4.5Å; R9-Q12 WeakPolarHBondContact O-CA 2.95Å; R9-Q12 WeakPolarHBondContact O-CB 3.45Å; R9-Q12 PolarHBondContact O-N 2.87Å; W10-Q12 VanDerWaalsContact C-N 3.29Å; W10-Q12 PolarHBondContact O-N 3.48Å; Q12-L21 WeakPolarHBondContact O-CD1 3.33Å |
| 13 | Y | 86.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -77 | -33.5 | -176.4 | -63.8 | -42 | 0 | 0 | 0 | 115 | I6 R9 W10 A25 E28 L29 | I6-Y13 HydrophobicContact CB-CD2 4.46Å; I6-Y13 HydrophobicContact CG1-CD2 4.37Å; I6-Y13 HydrophobicContact CG1-CE2 4.36Å; I6-Y13 HydrophobicContact CG2-CD2 4.32Å; R9-Y13 HydrophobicContact CB-CD2 3.91Å; R9-Y13 HydrophobicContact CB-CE2 3.5Å; R9-Y13 VanDerWaalsContact CB-CE2 3.5Å; R9-Y13 WeakPolarHBondContact CD-OH 2.94Å; R9-Y13 HydrophobicContact CG-CE2 4.46Å; R9-Y13 PolarHBondContact O-N 3.41Å; R9-Y13 VanDerWaalsContact O-N 3.13Å; W10-Y13 PolarHBondContact O-N 3.13Å; Y13-A25 HydrophobicContact CD1-CB 3.96Å; Y13-A25 WeakPolarHBondContact CD1-O 3.45Å; Y13-A25 HydrophobicContact CE1-CB 3.99Å; Y13-A25 WeakPolarHBondContact CE1-O 3.19Å; Y13-E28 HydrophobicContact CE1-CB 4.08Å; Y13-E28 PolarHBondContact OH-OE2 3.38Å; Y13-L29 HydrophobicContact CD1-CB 3.87Å; Y13-L29 HydrophobicContact CD1-CD1 4.38Å; Y13-L29 HydrophobicContact CD2-CD1 4.33Å; Y13-L29 HydrophobicContact CE1-CB 4.29Å; Y13-L29 HydrophobicContact CG-CB 4.36Å; Y13-L29 HydrophobicContact CG-CD1 4.01Å |
| 14 | F | 85.1 | Confident | 85.4 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 4% | 0.044 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 54.9 | -173.3 | -54.7 | -64.7 | 0 | 0 | 0 | 112 | I6 W10 L29 M33 L64 K67 V69 | I6-F14 HydrophobicContact CG2-CE2 3.48Å; I6-F14 VanDerWaalsContact CG2-CE2 3.48Å; I6-F14 HydrophobicContact CG2-CZ 3.97Å; W10-F14 HydrophobicContact CB-CD2 4.4Å; W10-F14 WeakPolarHBondContact O-CD2 3.17Å; W10-F14 PolarHBondContact O-N 2.85Å; F14-L29 HydrophobicContact CE1-CD1 4.4Å; F14-L29 HydrophobicContact CE1-CD2 4.21Å; F14-L29 HydrophobicContact CZ-CD1 4.11Å; F14-M33 HydrophobicContact CZ-CE 4.18Å; F14-L64 HydrophobicContact CE1-CD1 3.51Å; F14-L64 HydrophobicContact CE2-CD1 3.98Å; F14-L64 HydrophobicContact CZ-CD1 3.19Å; F14-K67 HydrophobicContact CB-CB 4.46Å; F14-K67 HydrophobicContact CB-CD 3.97Å; F14-K67 HydrophobicContact CB-CG 3.96Å; F14-K67 HydrophobicContact CD1-CB 3.87Å; F14-K67 HydrophobicContact CD1-CG 3.91Å; F14-K67 HydrophobicContact CG-CB 4.38Å; F14-K67 HydrophobicContact CG-CD 4.5Å; F14-K67 HydrophobicContact CG-CG 3.96Å; F14-V69 HydrophobicContact CD1-CB 4.3Å |
| 15 | V | 83.4 | Confident | 85.7 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 18% | 0.182 | 35% | 0.349 | C | S | . | . | trans | -58.7 | 157.6 | 165.9 | -71.1 | 0 | 0 | 0 | 0 | 111.2 | S17 E20 L21 | V15-S17 VanDerWaalsContact C-N 3.35Å; V15-S17 WeakPolarHBondContact CG2-O 3.42Å; V15-S17 PolarHBondContact O-N 3.5Å; V15-E20 HydrophobicContact CB-CB 4.23Å; V15-E20 HydrophobicContact CG2-CB 4.04Å; V15-L21 HydrophobicContact CG2-CB 3.96Å; V15-L21 HydrophobicContact CG2-CD1 4.34Å | ||
| 16 | P | 80.4 | Confident | 86 | Confident | 104 Ų | 104 | 65.4 Ų | 65.4 | 68% | 0.675 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -55.3 | -45.6 | -178.4 | -26.8 | 35.5 | 0 | 0 | 0 | 113.5 | ||
| 17 | S | 82.6 | Confident | 86.3 | Confident | 29 Ų | 29 | 70.2 Ų | 70.2 | 20% | 0.203 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -111.3 | 135.3 | 176.7 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | V15 N19 E20 | V15-S17 VanDerWaalsContact C-N 3.35Å; V15-S17 WeakPolarHBondContact CG2-O 3.42Å; V15-S17 PolarHBondContact O-N 3.5Å; S17-N19 PolarHBondContact O-N 2.95Å; S17-N19 PolarHBondContact OG-N 3.04Å; S17-E20 WeakPolarHBondContact O-CB 3.36Å; S17-E20 PolarHBondContact O-N 2.92Å |
| 18 | P | 81.5 | Confident | 86.6 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -57.5 | -21 | 173.5 | -21.4 | 30.9 | 0 | 0 | 0 | 114.6 | E20 L21 E68 V69 | P18-E20 VanDerWaalsContact C-N 3.31Å; P18-L21 WeakPolarHBondContact O-CB 3.45Å; P18-L21 PolarHBondContact O-N 3.43Å; P18-E68 WeakPolarHBondContact CD-OE1 3.29Å; P18-E68 HydrophobicContact CG-CB 4.4Å; P18-E68 HydrophobicContact CG-CG 3.97Å; P18-V69 HydrophobicContact CB-CG2 4.12Å; P18-V69 HydrophobicContact CG-CG2 4.02Å |
| 19 | N | 83.7 | Confident | 87 | Confident | 150 Ų | 150 | 68.2 Ų | 68.2 | 80% | 0.802 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -77.5 | -17.5 | 177.4 | -64.3 | -29.6 | 0 | 0 | 0 | 113 | S17 L21 | S17-N19 PolarHBondContact O-N 2.95Å; S17-N19 PolarHBondContact OG-N 3.04Å; N19-L21 VanDerWaalsContact C-N 3.32Å |
| 20 | E | 86.1 | Confident | 87.2 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -85.7 | -8.9 | 175.9 | -66.4 | 170.4 | -165.6 | 0 | 0 | 112.3 | V15 S17 P18 D22 | V15-E20 HydrophobicContact CB-CB 4.23Å; V15-E20 HydrophobicContact CG2-CB 4.04Å; S17-E20 WeakPolarHBondContact O-CB 3.36Å; S17-E20 PolarHBondContact O-N 2.92Å; P18-E20 VanDerWaalsContact C-N 3.31Å; E20-D22 PolarHBondContact O-N 2.89Å |
| 21 | L | 87.5 | Confident | 87.6 | Confident | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -71.6 | 120.1 | -179.7 | -172.2 | 60.3 | 0 | 0 | 0 | 109 | Q12 V15 P18 N19 A25 K26 L29 V69 | Q12-L21 WeakPolarHBondContact O-CD1 3.33Å; V15-L21 HydrophobicContact CG2-CB 3.96Å; V15-L21 HydrophobicContact CG2-CD1 4.34Å; P18-L21 WeakPolarHBondContact O-CB 3.45Å; P18-L21 PolarHBondContact O-N 3.43Å; N19-L21 VanDerWaalsContact C-N 3.32Å; L21-A25 HydrophobicContact CD1-CB 3.7Å; L21-A25 HydrophobicContact CG-CB 4.34Å; L21-K26 HydrophobicContact CD2-CB 3.75Å; L21-K26 HydrophobicContact CD2-CG 4.03Å; L21-K26 HydrophobicContact CG-CB 3.92Å; L21-L29 HydrophobicContact CD2-CD2 4.22Å; L21-V69 HydrophobicContact CD2-CG1 4.17Å |
| 22 | D | 89.6 | Confident | 88 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 33% | 0.33 | S | S | . | . | trans | -60.4 | 148.1 | 177.5 | 72.8 | 84.7 | 0 | 0 | 0 | 110.7 | E20 T24 A25 K26 | E20-D22 PolarHBondContact O-N 2.89Å; D22-T24 PolarHBondContact O-N 3Å; D22-T24 WeakPolarHBondContact OD1-CB 3.49Å; D22-T24 PolarHBondContact OD1-N 2.96Å; D22-A25 VanDerWaalsContact CG-CB 3.47Å; D22-A25 PolarHBondContact O-N 3.14Å; D22-A25 WeakPolarHBondContact OD1-CB 3.39Å; D22-A25 PolarHBondContact OD1-N 2.9Å; D22-A25 WeakPolarHBondContact OD2-CB 3.15Å; D22-K26 WeakPolarHBondContact O-CB 3.49Å; D22-K26 PolarHBondContact O-N 3.15Å | ||
| 23 | A | 89.5 | Confident | 88.4 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -58.1 | -35.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E27 | A23-E27 WeakPolarHBondContact O-CG 3.22Å; A23-E27 PolarHBondContact O-N 3.44Å; A23-E27 VanDerWaalsContact O-N 3.13Å |
| 24 | T | 90.5 | Very high | 88.6 | Confident | 95 Ų | 95 | 61 Ų | 61 | 58% | 0.583 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -68.8 | -48.6 | 178.5 | -57 | 0 | 0 | 0 | 0 | 111 | D22 K26 E27 E28 | D22-T24 PolarHBondContact O-N 3Å; D22-T24 WeakPolarHBondContact OD1-CB 3.49Å; D22-T24 PolarHBondContact OD1-N 2.96Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.39Å; T24-E27 PolarHBondContact O-N 2.84Å; T24-E28 WeakPolarHBondContact O-CB 3.29Å; T24-E28 WeakPolarHBondContact O-CG 3.32Å; T24-E28 PolarHBondContact O-N 3.46Å |
| 25 | A | 89.7 | Confident | 89 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.033 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.2 | -34.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y13 L21 D22 L29 | Y13-A25 HydrophobicContact CD1-CB 3.96Å; Y13-A25 WeakPolarHBondContact CD1-O 3.45Å; Y13-A25 HydrophobicContact CE1-CB 3.99Å; Y13-A25 WeakPolarHBondContact CE1-O 3.19Å; L21-A25 HydrophobicContact CD1-CB 3.7Å; L21-A25 HydrophobicContact CG-CB 4.34Å; D22-A25 VanDerWaalsContact CG-CB 3.47Å; D22-A25 PolarHBondContact O-N 3.14Å; D22-A25 WeakPolarHBondContact OD1-CB 3.39Å; D22-A25 PolarHBondContact OD1-N 2.9Å; D22-A25 WeakPolarHBondContact OD2-CB 3.15Å; A25-L29 WeakPolarHBondContact O-CB 3.19Å; A25-L29 PolarHBondContact O-N 2.78Å |
| 26 | K | 89.7 | Confident | 89.6 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 35% | 0.348 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 174.5 | -171.6 | 173.6 | -179.1 | 175.4 | 0 | 112.1 | L21 D22 T24 L29 R30 | L21-K26 HydrophobicContact CD2-CB 3.75Å; L21-K26 HydrophobicContact CD2-CG 4.03Å; L21-K26 HydrophobicContact CG-CB 3.92Å; D22-K26 WeakPolarHBondContact O-CB 3.49Å; D22-K26 PolarHBondContact O-N 3.15Å; T24-K26 VanDerWaalsContact C-N 3.27Å; T24-K26 PolarHBondContact O-N 3.39Å; K26-L29 PolarHBondContact O-N 3.41Å; K26-R30 VanDerWaalsContact O-CB 3.32Å; K26-R30 WeakPolarHBondContact O-CB 3.43Å; K26-R30 PolarHBondContact O-N 3.16Å |
| 27 | E | 91.1 | Very high | 90.2 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -68.6 | -38.8 | 178.8 | -70.5 | -55.8 | 137.1 | 0 | 0 | 112.4 | A23 T24 R30 S31 | A23-E27 WeakPolarHBondContact O-CG 3.22Å; A23-E27 PolarHBondContact O-N 3.44Å; A23-E27 VanDerWaalsContact O-N 3.13Å; T24-E27 PolarHBondContact O-N 2.84Å; E27-R30 PolarHBondContact O-N 3.45Å; E27-S31 WeakPolarHBondContact O-CB 3.2Å; E27-S31 PolarHBondContact O-N 2.86Å; E27-S31 PolarHBondContact O-OG 3.14Å |
| 28 | E | 91.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 172.5 | -77.2 | -172.7 | 172.4 | 0 | 0 | 111.2 | R9 Y13 T24 R30 S31 I32 | R9-E28 VanDerWaalsContact NH1-CD 3.33Å; R9-E28 IonicContact NH1-OE1 3.07Å; R9-E28 PolarHBondContact NH1-OE1 3.08Å; R9-E28 VanDerWaalsContact NH1-OE1 3.07Å; R9-E28 IonicContact NH1-OE2 2.78Å; R9-E28 PolarHBondContact NH1-OE2 2.93Å; Y13-E28 HydrophobicContact CE1-CB 4.08Å; Y13-E28 PolarHBondContact OH-OE2 3.38Å; T24-E28 WeakPolarHBondContact O-CB 3.29Å; T24-E28 WeakPolarHBondContact O-CG 3.32Å; T24-E28 PolarHBondContact O-N 3.46Å; E28-R30 PolarHBondContact O-N 3.12Å; E28-S31 PolarHBondContact O-N 2.64Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.49Å; E28-I32 PolarHBondContact O-N 3.07Å |
| 29 | L | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -47.1 | 179.7 | -177.8 | 63.1 | 0 | 0 | 0 | 110.9 | I6 Y13 F14 L21 A25 K26 S31 I32 M33 V69 F74 | I6-L29 HydrophobicContact CD1-CD1 4.4Å; Y13-L29 HydrophobicContact CD1-CB 3.87Å; Y13-L29 HydrophobicContact CD1-CD1 4.38Å; Y13-L29 HydrophobicContact CD2-CD1 4.33Å; Y13-L29 HydrophobicContact CE1-CB 4.29Å; Y13-L29 HydrophobicContact CG-CB 4.36Å; Y13-L29 HydrophobicContact CG-CD1 4.01Å; F14-L29 HydrophobicContact CE1-CD1 4.4Å; F14-L29 HydrophobicContact CE1-CD2 4.21Å; F14-L29 HydrophobicContact CZ-CD1 4.11Å; L21-L29 HydrophobicContact CD2-CD2 4.22Å; A25-L29 WeakPolarHBondContact O-CB 3.19Å; A25-L29 PolarHBondContact O-N 2.78Å; K26-L29 PolarHBondContact O-N 3.41Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 3.16Å; L29-I32 PolarHBondContact O-N 2.87Å; L29-M33 HydrophobicContact CD1-CE 3.53Å; L29-M33 HydrophobicContact CD1-CG 4.3Å; L29-M33 HydrophobicContact CG-CE 4.4Å; L29-M33 HydrophobicContact CG-CG 4.38Å; L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.44Å; L29-M33 PolarHBondContact O-N 3.37Å; L29-V69 HydrophobicContact CD2-CG1 3.67Å; L29-F74 HydrophobicContact CD2-CE2 3.9Å; L29-F74 HydrophobicContact CD2-CZ 4.49Å; L29-F74 HydrophobicContact CG-CE2 4Å; L29-F74 HydrophobicContact CG-CZ 4.3Å |
| 30 | R | 93 | Very high | 91.6 | Very high | 129 Ų | 129 | 52.8 Ų | 52.8 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.4 | -46.2 | 176.9 | -177.8 | -179.5 | -176.2 | -178.8 | 2.5 | 111.4 | K26 E27 E28 I32 M33 I34 F74 | K26-R30 VanDerWaalsContact O-CB 3.32Å; K26-R30 WeakPolarHBondContact O-CB 3.43Å; K26-R30 PolarHBondContact O-N 3.16Å; E27-R30 PolarHBondContact O-N 3.45Å; E28-R30 PolarHBondContact O-N 3.12Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.2Å; R30-M33 PolarHBondContact O-N 3.39Å; R30-I34 HydrophobicContact CG-CD1 3.88Å; R30-I34 HydrophobicContact CG-CG1 4.49Å; R30-I34 VanDerWaalsContact O-CG1 3.31Å; R30-I34 WeakPolarHBondContact O-CG1 3.48Å; R30-I34 PolarHBondContact O-N 3.22Å; R30-F74 HydrophobicContact CB-CE1 4.27Å; R30-F74 HydrophobicContact CB-CZ 4.25Å; R30-F74 HydrophobicContact CG-CE1 4.23Å |
| 31 | S | 93.7 | Very high | 91.7 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 178 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | E27 E28 L29 I34 I35 | E27-S31 WeakPolarHBondContact O-CB 3.2Å; E27-S31 PolarHBondContact O-N 2.86Å; E27-S31 PolarHBondContact O-OG 3.14Å; E28-S31 PolarHBondContact O-N 2.64Å; L29-S31 VanDerWaalsContact C-N 3.32Å; L29-S31 PolarHBondContact O-N 3.16Å; S31-I34 PolarHBondContact O-N 3.01Å; S31-I35 WeakPolarHBondContact O-CD1 3.1Å; S31-I35 VanDerWaalsContact O-CG1 3.25Å; S31-I35 WeakPolarHBondContact O-CG1 3.49Å; S31-I35 PolarHBondContact O-N 2.78Å; S31-I35 VanDerWaalsContact O-N 3.07Å |
| 32 | I | 93.2 | Very high | 91.4 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.3 | -64.8 | 164.1 | 0 | 0 | 0 | 111.2 | L2 I5 I6 E28 L29 R30 I35 F36 | L2-I32 HydrophobicContact CB-CG2 3.86Å; L2-I32 HydrophobicContact CD1-CG2 4.33Å; L2-I32 HydrophobicContact CD2-CG1 4.42Å; I5-I32 HydrophobicContact CG2-CD1 4.31Å; I6-I32 HydrophobicContact CD1-CB 4.46Å; I6-I32 HydrophobicContact CD1-CG2 3.53Å; I6-I32 HydrophobicContact CG1-CD1 4.15Å; I6-I32 HydrophobicContact CG1-CG2 4.05Å; E28-I32 VanDerWaalsContact O-CG1 3.29Å; E28-I32 WeakPolarHBondContact O-CG1 3.49Å; E28-I32 PolarHBondContact O-N 3.07Å; L29-I32 PolarHBondContact O-N 2.87Å; R30-I32 VanDerWaalsContact C-N 3.33Å; R30-I32 PolarHBondContact O-N 3.2Å; I32-I35 PolarHBondContact O-N 2.93Å; I32-F36 HydrophobicContact CG2-CE1 4.33Å; I32-F36 HydrophobicContact CG2-CE2 4.32Å; I32-F36 HydrophobicContact CG2-CZ 4.23Å; I32-F36 PolarHBondContact O-N 3.17Å |
| 33 | M | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | -179.7 | -69.1 | -60.3 | 167 | 0 | 0 | 112.1 | I6 F14 L29 R30 I35 F36 C37 L64 F70 F74 F78 | I6-M33 HydrophobicContact CD1-CE 3.71Å; F14-M33 HydrophobicContact CZ-CE 4.18Å; L29-M33 HydrophobicContact CD1-CE 3.53Å; L29-M33 HydrophobicContact CD1-CG 4.3Å; L29-M33 HydrophobicContact CG-CE 4.4Å; L29-M33 HydrophobicContact CG-CG 4.38Å; L29-M33 VanDerWaalsContact O-CG 3.27Å; L29-M33 WeakPolarHBondContact O-CG 3.44Å; L29-M33 PolarHBondContact O-N 3.37Å; R30-M33 PolarHBondContact O-N 3.39Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.91Å; M33-F36 WeakPolarHBondContact O-CB 3.42Å; M33-F36 PolarHBondContact O-N 3.21Å; M33-F36 HydrophobicContact SD-CD2 4.33Å; M33-C37 PolarHBondContact O-N 3.31Å; M33-L64 HydrophobicContact CE-CD1 4.1Å; M33-F70 HydrophobicContact CE-CD2 4.47Å; M33-F70 HydrophobicContact SD-CD2 4.46Å; M33-F70 HydrophobicContact SD-CE2 4.34Å; M33-F74 HydrophobicContact CB-CD1 3.73Å; M33-F74 HydrophobicContact CB-CD2 4.42Å; M33-F74 HydrophobicContact CB-CE1 3.85Å; M33-F74 HydrophobicContact CB-CG 4.05Å; M33-F74 HydrophobicContact CB-CZ 4.27Å; M33-F74 HydrophobicContact CG-CD1 4.03Å; M33-F74 HydrophobicContact CG-CD2 3.8Å; M33-F74 HydrophobicContact CG-CE1 4.09Å; M33-F74 HydrophobicContact CG-CE2 3.89Å; M33-F74 HydrophobicContact CG-CG 3.9Å; M33-F74 HydrophobicContact CG-CZ 4.04Å; M33-F78 HydrophobicContact CB-CE2 4.1Å; M33-F78 HydrophobicContact CB-CZ 4.39Å; M33-F78 HydrophobicContact CG-CE2 4.41Å; M33-F78 HydrophobicContact SD-CE2 3.78Å; M33-F78 HydrophobicContact SD-CZ 3.84Å |
| 34 | I | 93 | Very high | 90.5 | Very high | 97 Ų | 97 | 61.3 Ų | 61.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.4 | -70.4 | 168.2 | 0 | 0 | 0 | 110.7 | R30 S31 F36 C37 A38 | R30-I34 HydrophobicContact CG-CD1 3.88Å; R30-I34 HydrophobicContact CG-CG1 4.49Å; R30-I34 VanDerWaalsContact O-CG1 3.31Å; R30-I34 WeakPolarHBondContact O-CG1 3.48Å; R30-I34 PolarHBondContact O-N 3.22Å; S31-I34 PolarHBondContact O-N 3.01Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 3.18Å; I34-C37 PolarHBondContact O-N 3.48Å; I34-A38 WeakPolarHBondContact O-CB 3.43Å; I34-A38 PolarHBondContact O-N 3.23Å |
| 35 | I | 93.5 | Very high | 90.4 | Very high | 90 Ų | 90 | 59.2 Ų | 59.2 | 46% | 0.462 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.5 | -36.6 | 177.4 | -65.1 | 162.6 | 0 | 0 | 0 | 111 | L2 S31 I32 M33 G39 | L2-I35 HydrophobicContact CD1-CB 3.88Å; L2-I35 HydrophobicContact CD1-CD1 4Å; L2-I35 HydrophobicContact CD1-CG2 3.47Å; L2-I35 VanDerWaalsContact CD1-CG2 3.47Å; S31-I35 WeakPolarHBondContact O-CD1 3.1Å; S31-I35 VanDerWaalsContact O-CG1 3.25Å; S31-I35 WeakPolarHBondContact O-CG1 3.49Å; S31-I35 PolarHBondContact O-N 2.78Å; S31-I35 VanDerWaalsContact O-N 3.07Å; I32-I35 PolarHBondContact O-N 2.93Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 2.91Å; I35-G39 PolarHBondContact O-N 2.99Å |
| 36 | F | 94.3 | Very high | 90.4 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.013 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.1 | -48.9 | 173.1 | -78.5 | -0.6 | 0 | 0 | 0 | 112.1 | L2 I6 I32 M33 I34 A38 G39 I40 V51 Q54 L55 L58 F78 | L2-F36 HydrophobicContact CB-CE1 3.71Å; L2-F36 HydrophobicContact CB-CZ 4.11Å; L2-F36 HydrophobicContact CD1-CD1 4.4Å; L2-F36 HydrophobicContact CD1-CE1 4.22Å; I6-F36 HydrophobicContact CD1-CE2 4Å; I6-F36 HydrophobicContact CD1-CZ 4.45Å; I32-F36 HydrophobicContact CG2-CE1 4.33Å; I32-F36 HydrophobicContact CG2-CE2 4.32Å; I32-F36 HydrophobicContact CG2-CZ 4.23Å; I32-F36 PolarHBondContact O-N 3.17Å; M33-F36 WeakPolarHBondContact O-CB 3.42Å; M33-F36 PolarHBondContact O-N 3.21Å; M33-F36 HydrophobicContact SD-CD2 4.33Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 3.18Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.88Å; F36-G39 PolarHBondContact O-N 3.37Å; F36-I40 WeakPolarHBondContact O-CG1 3.46Å; F36-I40 PolarHBondContact O-N 2.67Å; F36-V51 HydrophobicContact CB-CG1 3.86Å; F36-V51 HydrophobicContact CD1-CG1 4.1Å; F36-V51 HydrophobicContact CD1-CG2 4.33Å; F36-V51 HydrophobicContact CG-CG1 4Å; F36-V51 WeakPolarHBondContact O-CG1 3.32Å; F36-Q54 HydrophobicContact CZ-CB 4.12Å; F36-L55 HydrophobicContact CD2-CD2 3.68Å; F36-L55 HydrophobicContact CD2-CG 4.25Å; F36-L55 HydrophobicContact CE2-CD2 4.1Å; F36-L58 HydrophobicContact CE2-CD1 3.9Å; F36-L58 HydrophobicContact CZ-CD1 4.48Å; F36-F78 HydrophobicContact CB-CE1 3.95Å; F36-F78 HydrophobicContact CB-CZ 3.76Å |
| 37 | C | 93.9 | Very high | 90.5 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.128 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.6 | -46.1 | 175.7 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | M33 I34 G39 I40 V41 F78 | M33-C37 PolarHBondContact O-N 3.31Å; I34-C37 PolarHBondContact O-N 3.48Å; C37-G39 VanDerWaalsContact C-N 3.35Å; C37-G39 PolarHBondContact O-N 2.87Å; C37-I40 PolarHBondContact O-N 3.33Å; C37-V41 PolarHBondContact O-N 3.09Å; C37-F78 VanDerWaalsContact SG-CZ 3.59Å |
| 38 | A | 92.5 | Very high | 90.5 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 37% | 0.372 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.8 | -48.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I34 F36 I40 V41 E42 | I34-A38 WeakPolarHBondContact O-CB 3.43Å; I34-A38 PolarHBondContact O-N 3.23Å; F36-A38 VanDerWaalsContact C-N 3.32Å; F36-A38 PolarHBondContact O-N 2.88Å; A38-I40 PolarHBondContact O-N 3.44Å; A38-I40 VanDerWaalsContact O-N 3.14Å; A38-V41 PolarHBondContact O-N 2.94Å; A38-E42 WeakPolarHBondContact O-CG 3.44Å; A38-E42 PolarHBondContact O-N 3.24Å |
| 39 | G | 92.7 | Very high | 90.6 | Very high | 6 Ų | 6 | 60.1 Ų | 60.1 | 6% | 0.062 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.7 | -19.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I35 F36 C37 A48 | I35-G39 PolarHBondContact O-N 2.99Å; F36-G39 PolarHBondContact O-N 3.37Å; C37-G39 VanDerWaalsContact C-N 3.35Å; C37-G39 PolarHBondContact O-N 2.87Å; G39-A48 VanDerWaalsContact O-CA 3.26Å; G39-A48 WeakPolarHBondContact O-CA 3.4Å; G39-A48 PolarHBondContact O-N 3.28Å |
| 40 | I | 92 | Very high | 90.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -76 | -38.6 | 171.9 | -66 | 159.9 | 0 | 0 | 0 | 110.9 | F36 C37 A38 V51 I52 L55 F78 T81 L82 T85 H91 | F36-I40 WeakPolarHBondContact O-CG1 3.46Å; F36-I40 PolarHBondContact O-N 2.67Å; C37-I40 PolarHBondContact O-N 3.33Å; A38-I40 PolarHBondContact O-N 3.44Å; A38-I40 VanDerWaalsContact O-N 3.14Å; I40-V51 HydrophobicContact CD1-CG1 4.25Å; I40-V51 HydrophobicContact CG1-CB 4.48Å; I40-V51 HydrophobicContact CG1-CG1 3.84Å; I40-I52 HydrophobicContact CG1-CG1 4.39Å; I40-L55 HydrophobicContact CD1-CD1 4.07Å; I40-F78 HydrophobicContact CD1-CD1 4.07Å; I40-F78 HydrophobicContact CD1-CE1 4.1Å; I40-T81 HydrophobicContact CB-CG2 3.8Å; I40-T81 HydrophobicContact CD1-CG2 4.25Å; I40-T81 HydrophobicContact CG2-CG2 3.7Å; I40-L82 HydrophobicContact CD1-CD2 3.92Å; I40-L82 HydrophobicContact CD1-CG 4.4Å; I40-L82 HydrophobicContact CG2-CD2 4.08Å; I40-T85 HydrophobicContact CG2-CG2 4.29Å; I40-H91 PolarHBondContact O-NE2 3.27Å |
| 41 | V | 87.9 | Confident | 90.6 | Very high | 72 Ų | 72 | 58.3 Ų | 58.3 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -81.8 | -20.2 | -178.6 | -173.7 | 0 | 0 | 0 | 0 | 112 | C37 A38 T81 | C37-V41 PolarHBondContact O-N 3.09Å; A38-V41 PolarHBondContact O-N 2.94Å; V41-T81 HydrophobicContact CG2-CG2 3.55Å |
| 42 | E | 81.3 | Confident | 90.7 | Very high | 104 Ų | 104 | 55.6 Ų | 55.6 | 49% | 0.486 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -52.7 | 141.8 | 176.4 | -74.5 | -61.1 | 161.1 | 0 | 0 | 112.1 | A38 E44 T47 H91 | A38-E42 WeakPolarHBondContact O-CG 3.44Å; A38-E42 PolarHBondContact O-N 3.24Å; E42-E44 PolarHBondContact O-N 2.86Å; E42-T47 HydrophobicContact CB-CG2 4.37Å; E42-T47 HydrophobicContact CG-CG2 4.45Å; E42-H91 PolarHBondContact O-CE1 2.92Å; E42-H91 PolarHBondContact O-NE2 3.49Å |
| 43 | L | 71.3 | Confident | 90.7 | Very high | 166 Ų | 166 | 57 Ų | 57 | 87% | 0.869 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -67.3 | -17.7 | -178.1 | -71.5 | 168 | 0 | 0 | 0 | 113.2 | L45 | L43-L45 PolarHBondContact O-N 3.04Š|
| 44 | E | 88.3 | Confident | 90.6 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | trans | -81.2 | 108.8 | -179.4 | -66.5 | -173.8 | 174.3 | 0 | 0 | 111.9 | E42 E46 T47 A48 | E42-E44 PolarHBondContact O-N 2.86Å; E44-E46 VanDerWaalsContact C-N 3.26Å; E44-E46 PolarHBondContact O-N 2.98Å; E44-T47 WeakPolarHBondContact O-CB 3.31Å; E44-T47 PolarHBondContact O-N 2.95Å; E44-T47 PolarHBondContact OE2-OG1 3.36Å; E44-A48 PolarHBondContact O-N 2.59Å | ||
| 45 | L | 88.8 | Confident | 90.7 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -49.7 | -43.3 | 178.2 | 177.5 | 67.2 | 0 | 0 | 0 | 113.6 | L43 T47 A48 K49 H91 I93 L94 | L43-L45 PolarHBondContact O-N 3.04Å; L45-T47 VanDerWaalsContact C-N 3.29Å; L45-T47 PolarHBondContact O-N 3.4Å; L45-A48 PolarHBondContact O-N 2.9Å; L45-K49 VanDerWaalsContact O-CB 3.25Å; L45-K49 WeakPolarHBondContact O-CB 3.48Å; L45-K49 PolarHBondContact O-N 3.09Å; L45-H91 HydrophobicContact CD1-CB 4.11Å; L45-I93 HydrophobicContact CD1-CB 4.29Å; L45-I93 HydrophobicContact CD2-CD1 3.76Å; L45-L94 HydrophobicContact CD1-CD1 3.77Å; L45-L94 HydrophobicContact CD1-CD2 4.3Å; L45-L94 HydrophobicContact CD1-CG 3.71Å |
| 46 | E | 90.6 | Very high | 90.7 | Very high | 119 Ų | 119 | 51.5 Ų | 51.5 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.2 | -34.9 | -179 | -70.8 | -59.3 | 147.3 | 0 | 0 | 111.9 | E44 V50 | E44-E46 VanDerWaalsContact C-N 3.26Å; E44-E46 PolarHBondContact O-N 2.98Å; E46-V50 WeakPolarHBondContact O-CB 3.29Å; E46-V50 VanDerWaalsContact O-CG2 3.22Å; E46-V50 WeakPolarHBondContact O-CG2 3.43Å; E46-V50 PolarHBondContact O-N 3.4Å |
| 47 | T | 91.4 | Very high | 90.6 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -49.4 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 110.4 | E42 E44 L45 K49 V50 V51 | E42-T47 HydrophobicContact CB-CG2 4.37Å; E42-T47 HydrophobicContact CG-CG2 4.45Å; E44-T47 WeakPolarHBondContact O-CB 3.31Å; E44-T47 PolarHBondContact O-N 2.95Å; E44-T47 PolarHBondContact OE2-OG1 3.36Å; L45-T47 VanDerWaalsContact C-N 3.29Å; L45-T47 PolarHBondContact O-N 3.4Å; T47-K49 PolarHBondContact O-N 2.64Å; T47-V50 PolarHBondContact O-N 2.94Å; T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.9Å |
| 48 | A | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | G39 E44 L45 V50 V51 I52 L94 | G39-A48 VanDerWaalsContact O-CA 3.26Å; G39-A48 WeakPolarHBondContact O-CA 3.4Å; G39-A48 PolarHBondContact O-N 3.28Å; E44-A48 PolarHBondContact O-N 2.59Å; L45-A48 PolarHBondContact O-N 2.9Å; A48-V50 PolarHBondContact O-N 3.21Å; A48-V51 PolarHBondContact O-N 3.07Å; A48-I52 WeakPolarHBondContact O-CD1 3.36Å; A48-I52 WeakPolarHBondContact O-CG1 3.47Å; A48-I52 PolarHBondContact O-N 3.16Å; A48-L94 HydrophobicContact CB-CD1 3.9Å |
| 49 | K | 93.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 53.3 Ų | 53.3 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.2 | -45 | 177.6 | -174.3 | 178.1 | -178.6 | 179.2 | 0 | 112.5 | L45 T47 G53 L94 | L45-K49 VanDerWaalsContact O-CB 3.25Å; L45-K49 WeakPolarHBondContact O-CB 3.48Å; L45-K49 PolarHBondContact O-N 3.09Å; T47-K49 PolarHBondContact O-N 2.64Å; K49-G53 PolarHBondContact O-N 3.03Å; K49-L94 HydrophobicContact CB-CD1 4.01Å; K49-L94 HydrophobicContact CB-CD2 4.03Å; K49-L94 HydrophobicContact CD-CD2 4.35Å; K49-L94 HydrophobicContact CG-CD2 3.99Å |
| 50 | V | 92.3 | Very high | 90.6 | Very high | 79 Ų | 79 | 57.1 Ų | 57.1 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 177.1 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | E46 T47 A48 G53 Q54 | E46-V50 WeakPolarHBondContact O-CB 3.29Å; E46-V50 VanDerWaalsContact O-CG2 3.22Å; E46-V50 WeakPolarHBondContact O-CG2 3.43Å; E46-V50 PolarHBondContact O-N 3.4Å; T47-V50 PolarHBondContact O-N 2.94Å; A48-V50 PolarHBondContact O-N 3.21Å; V50-G53 PolarHBondContact O-N 3.11Å; V50-Q54 HydrophobicContact CG1-CG 4.19Å; V50-Q54 WeakPolarHBondContact O-CG 3.45Å; V50-Q54 PolarHBondContact O-N 3.5Å |
| 51 | V | 93.5 | Very high | 90.6 | Very high | 12 Ų | 12 | 63.4 Ų | 63.4 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -49.7 | -179.1 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | F36 I40 T47 A48 G53 Q54 L55 | F36-V51 HydrophobicContact CB-CG1 3.86Å; F36-V51 HydrophobicContact CD1-CG1 4.1Å; F36-V51 HydrophobicContact CD1-CG2 4.33Å; F36-V51 HydrophobicContact CG-CG1 4Å; F36-V51 WeakPolarHBondContact O-CG1 3.32Å; I40-V51 HydrophobicContact CD1-CG1 4.25Å; I40-V51 HydrophobicContact CG1-CB 4.48Å; I40-V51 HydrophobicContact CG1-CG1 3.84Å; T47-V51 WeakPolarHBondContact O-CG2 3.43Å; T47-V51 PolarHBondContact O-N 2.9Å; A48-V51 PolarHBondContact O-N 3.07Å; V51-G53 VanDerWaalsContact C-N 3.31Å; V51-G53 PolarHBondContact O-N 3.35Å; V51-Q54 WeakPolarHBondContact O-CA 3.46Å; V51-Q54 WeakPolarHBondContact O-CB 3.27Å; V51-Q54 PolarHBondContact O-N 2.85Å; V51-L55 HydrophobicContact CG1-CD1 4.19Å; V51-L55 HydrophobicContact CG1-CG 4.48Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.15Å |
| 52 | I | 94.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.2 | -44.8 | 178.1 | -67.5 | 159.3 | 0 | 0 | 0 | 110.2 | I40 A48 Q54 L55 N56 L94 D97 I98 | I40-I52 HydrophobicContact CG1-CG1 4.39Å; A48-I52 WeakPolarHBondContact O-CD1 3.36Å; A48-I52 WeakPolarHBondContact O-CG1 3.47Å; A48-I52 PolarHBondContact O-N 3.16Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.4Å; I52-L55 PolarHBondContact O-N 3.27Å; I52-N56 PolarHBondContact O-N 2.99Å; I52-L94 HydrophobicContact CD1-CD1 3.93Å; I52-D97 HydrophobicContact CG2-CB 4.05Å; I52-I98 HydrophobicContact CD1-CD1 4.02Å; I52-I98 HydrophobicContact CD1-CG1 3.48Å; I52-I98 VanDerWaalsContact CD1-CG1 3.48Å; I52-I98 HydrophobicContact CG1-CG1 4.49Å |
| 53 | G | 93.5 | Very high | 91.3 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 41% | 0.412 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | K49 V50 V51 M57 | K49-G53 PolarHBondContact O-N 3.03Å; V50-G53 PolarHBondContact O-N 3.11Å; V51-G53 VanDerWaalsContact C-N 3.31Å; V51-G53 PolarHBondContact O-N 3.35Å; G53-M57 VanDerWaalsContact O-CB 3.29Å; G53-M57 WeakPolarHBondContact O-CB 3.09Å; G53-M57 PolarHBondContact O-N 3.15Å |
| 54 | Q | 93.4 | Very high | 92.3 | Very high | 25 Ų | 25 | 51.2 Ų | 51.2 | 12% | 0.117 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 175.3 | -61 | -136.7 | -84.3 | 0 | 0 | 111.8 | F36 V50 V51 I52 M57 L58 | F36-Q54 HydrophobicContact CZ-CB 4.12Å; V50-Q54 HydrophobicContact CG1-CG 4.19Å; V50-Q54 WeakPolarHBondContact O-CG 3.45Å; V50-Q54 PolarHBondContact O-N 3.5Å; V51-Q54 WeakPolarHBondContact O-CA 3.46Å; V51-Q54 WeakPolarHBondContact O-CB 3.27Å; V51-Q54 PolarHBondContact O-N 2.85Å; I52-Q54 VanDerWaalsContact C-N 3.32Å; I52-Q54 PolarHBondContact O-N 3.4Å; Q54-M57 PolarHBondContact O-N 3.39Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 WeakPolarHBondContact O-CG 3.26Å; Q54-L58 PolarHBondContact O-N 2.84Å |
| 55 | L | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -48 | 176.4 | -72.3 | 170.5 | 0 | 0 | 0 | 111.4 | F36 I40 V51 I52 M57 L58 H59 L64 F65 F78 | F36-L55 HydrophobicContact CD2-CD2 3.68Å; F36-L55 HydrophobicContact CD2-CG 4.25Å; F36-L55 HydrophobicContact CE2-CD2 4.1Å; I40-L55 HydrophobicContact CD1-CD1 4.07Å; V51-L55 HydrophobicContact CG1-CD1 4.19Å; V51-L55 HydrophobicContact CG1-CG 4.48Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.15Å; I52-L55 PolarHBondContact O-N 3.27Å; L55-M57 VanDerWaalsContact C-N 3.34Å; L55-M57 PolarHBondContact O-N 3.25Å; L55-L58 WeakPolarHBondContact O-CB 3.28Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.14Å; L55-H59 PolarHBondContact O-N 3.31Å; L55-L64 HydrophobicContact CD2-CD2 3.94Å; L55-F65 HydrophobicContact CB-CZ 4.17Å; L55-F78 HydrophobicContact CD1-CD1 3.96Å; L55-F78 HydrophobicContact CD1-CE1 3.67Å; L55-F78 HydrophobicContact CD2-CE1 3.85Å; L55-F78 HydrophobicContact CD2-CZ 4.17Å; L55-F78 HydrophobicContact CG-CE1 4.38Å |
| 56 | N | 93.3 | Very high | 92.7 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 26% | 0.257 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 178.6 | -71.6 | -20.7 | 0 | 0 | 0 | 111.7 | I52 H59 A60 T101 | I52-N56 PolarHBondContact O-N 2.99Å; N56-H59 PolarHBondContact O-N 3.49Å; N56-A60 WeakPolarHBondContact O-CB 3.5Å; N56-A60 PolarHBondContact O-N 2.94Å; N56-T101 PolarHBondContact ND2-OG1 3.1Å; N56-T101 VanDerWaalsContact ND2-OG1 3.09Å; N56-T101 PolarHBondContact OD1-OG1 2.96Å |
| 57 | M | 93 | Very high | 92.8 | Very high | 60 Ų | 60 | 43.6 Ų | 43.6 | 30% | 0.296 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -43.6 | 172.2 | -177.6 | -164.5 | 64.4 | 0 | 0 | 112.1 | G53 Q54 L55 H59 A60 K61 | G53-M57 VanDerWaalsContact O-CB 3.29Å; G53-M57 WeakPolarHBondContact O-CB 3.09Å; G53-M57 PolarHBondContact O-N 3.15Å; Q54-M57 PolarHBondContact O-N 3.39Å; L55-M57 VanDerWaalsContact C-N 3.34Å; L55-M57 PolarHBondContact O-N 3.25Å; M57-H59 VanDerWaalsContact C-N 3.34Å; M57-A60 PolarHBondContact O-N 3.14Å; M57-K61 HydrophobicContact CG-CD 4.17Å; M57-K61 WeakPolarHBondContact O-CB 3.5Å; M57-K61 WeakPolarHBondContact O-CG 3.29Å; M57-K61 PolarHBondContact O-N 3.32Å |
| 58 | L | 93.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -40 | 178.6 | -76.4 | 169.6 | 0 | 0 | 0 | 111.5 | I6 C7 F36 Q54 L55 H62 L64 | I6-L58 HydrophobicContact CB-CD1 4.18Å; I6-L58 HydrophobicContact CB-CD2 3.83Å; I6-L58 HydrophobicContact CD1-CD1 3.84Å; I6-L58 HydrophobicContact CG2-CD1 4.13Å; I6-L58 HydrophobicContact CG2-CD2 3.54Å; I6-L58 HydrophobicContact CG2-CG 4.48Å; C7-L58 VanDerWaalsContact SG-CD2 3.53Å; F36-L58 HydrophobicContact CE2-CD1 3.9Å; F36-L58 HydrophobicContact CZ-CD1 4.48Å; Q54-L58 WeakPolarHBondContact O-CB 3.48Å; Q54-L58 WeakPolarHBondContact O-CG 3.26Å; Q54-L58 PolarHBondContact O-N 2.84Å; L55-L58 WeakPolarHBondContact O-CB 3.28Å; L55-L58 PolarHBondContact O-N 3.48Å; L55-L58 VanDerWaalsContact O-N 3.14Å; L58-H62 WeakPolarHBondContact O-CB 3.49Å; L58-H62 PolarHBondContact O-N 3.21Å; L58-L64 HydrophobicContact CB-CB 4.23Å; L58-L64 HydrophobicContact CB-CD2 3.87Å; L58-L64 HydrophobicContact CD1-CD2 4.26Å |
| 59 | H | 93.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 20% | 0.204 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -49.5 | 173.1 | -176.6 | 79.2 | 0 | 0 | 0 | 111.5 | L55 N56 M57 K61 H62 S63 L64 F65 V104 | L55-H59 PolarHBondContact O-N 3.31Å; N56-H59 PolarHBondContact O-N 3.49Å; M57-H59 VanDerWaalsContact C-N 3.34Å; H59-K61 VanDerWaalsContact C-N 3.26Å; H59-K61 PolarHBondContact O-N 2.89Å; H59-H62 PolarHBondContact O-N 3.42Å; H59-S63 WeakPolarHBondContact O-CA 3.27Å; H59-S63 PolarHBondContact O-N 3.44Å; H59-L64 HydrophobicContact CB-CB 4.34Å; H59-F65 HydrophobicContact CB-CD2 3.75Å; H59-F65 HydrophobicContact CB-CE2 3.7Å; H59-F65 HydrophobicContact CB-CG 4.36Å; H59-F65 HydrophobicContact CB-CZ 4.29Å; H59-F65 AromaticContact CE1-CD2 3.92Å; H59-F65 AromaticContact CG-CD2 3.45Å; H59-F65 VanDerWaalsContact CG-CD2 3.45Å; H59-F65 AromaticContact CG-CE2 3.86Å; H59-F65 WeakPolarHBondContact ND1-CB 3.45Å; H59-F65 AromaticContact ND1-CD2 3.2Å; H59-F65 WeakPolarHBondContact ND1-CD2 3.45Å; H59-F65 AromaticContact ND1-CG 3.5Å; H59-F65 PolarHBondContact ND1-N 3.48Å; H59-V104 VanDerWaalsContact CD2-CG1 3.48Å; H59-V104 WeakPolarHBondContact CD2-CG1 3.34Å; H59-V104 WeakPolarHBondContact NE2-CG1 3.38Å |
| 60 | A | 92.2 | Very high | 92.8 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 71% | 0.711 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -59.6 | -35 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N56 M57 | N56-A60 WeakPolarHBondContact O-CB 3.5Å; N56-A60 PolarHBondContact O-N 2.94Å; M57-A60 PolarHBondContact O-N 3.14Å |
| 61 | K | 91.7 | Very high | 92.9 | Very high | 132 Ų | 132 | 41.6 Ų | 41.6 | 57% | 0.574 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -88 | -34.4 | -178.1 | -72 | -174.8 | 176.3 | -179.3 | 0 | 114.5 | M57 H59 | M57-K61 HydrophobicContact CG-CD 4.17Å; M57-K61 WeakPolarHBondContact O-CB 3.5Å; M57-K61 WeakPolarHBondContact O-CG 3.29Å; M57-K61 PolarHBondContact O-N 3.32Å; H59-K61 VanDerWaalsContact C-N 3.26Å; H59-K61 PolarHBondContact O-N 2.89Å |
| 62 | H | 90.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 15% | 0.148 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -134.4 | 7.5 | -166.7 | -57.8 | -57.2 | 0 | 0 | 0 | 113.6 | W10 L58 H59 L64 K67 | W10-H62 AromaticContact CD1-CE1 3.52Å; W10-H62 AromaticContact CD1-NE2 3.99Å; W10-H62 AromaticContact CD2-CE1 3.99Å; W10-H62 AromaticContact CD2-ND1 3.72Å; W10-H62 AromaticContact CE2-ND1 3.96Å; W10-H62 AromaticContact CG-CE1 3.65Å; W10-H62 AromaticContact CG-ND1 3.74Å; W10-H62 AromaticContact NE1-CE1 3.73Å; L58-H62 WeakPolarHBondContact O-CB 3.49Å; L58-H62 PolarHBondContact O-N 3.21Å; H59-H62 PolarHBondContact O-N 3.42Å; H62-L64 PolarHBondContact O-N 2.88Å; H62-K67 WeakPolarHBondContact O-CE 3.48Å |
| 63 | S | 92.4 | Very high | 92.7 | Very high | 55 Ų | 55 | 47 Ų | 47 | 39% | 0.385 | 27% | 0.266 | S | S | . | . | trans | 52.2 | 43.2 | -177.8 | -48.9 | 0 | 0 | 0 | 0 | 112 | H59 F65 T66 K67 | H59-S63 WeakPolarHBondContact O-CA 3.27Å; H59-S63 PolarHBondContact O-N 3.44Å; S63-F65 VanDerWaalsContact C-N 3.29Å; S63-F65 PolarHBondContact O-N 2.92Å; S63-F65 VanDerWaalsContact O-N 3.16Å; S63-T66 VanDerWaalsContact CB-OG1 3.27Å; S63-T66 WeakPolarHBondContact CB-OG1 3.5Å; S63-T66 PolarHBondContact O-N 2.97Å; S63-T66 PolarHBondContact O-OG1 3.38Å; S63-K67 PolarHBondContact O-N 3.27Å | ||
| 64 | L | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -40.5 | -55.4 | -176.9 | 174.3 | 62.7 | 0 | 0 | 0 | 112.7 | F14 M33 L55 L58 H59 H62 T66 K67 F70 | F14-L64 HydrophobicContact CE1-CD1 3.51Å; F14-L64 HydrophobicContact CE2-CD1 3.98Å; F14-L64 HydrophobicContact CZ-CD1 3.19Å; M33-L64 HydrophobicContact CE-CD1 4.1Å; L55-L64 HydrophobicContact CD2-CD2 3.94Å; L58-L64 HydrophobicContact CB-CB 4.23Å; L58-L64 HydrophobicContact CB-CD2 3.87Å; L58-L64 HydrophobicContact CD1-CD2 4.26Å; H59-L64 HydrophobicContact CB-CB 4.34Å; H62-L64 PolarHBondContact O-N 2.88Å; L64-T66 PolarHBondContact O-N 3.31Å; L64-T66 VanDerWaalsContact O-N 3.14Å; L64-K67 VanDerWaalsContact O-CB 3.32Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.37Å; L64-F70 HydrophobicContact CD1-CB 4.26Å; L64-F70 HydrophobicContact CD1-CD2 3.74Å; L64-F70 HydrophobicContact CD1-CE2 4.45Å; L64-F70 HydrophobicContact CD1-CG 4.18Å; L64-F70 HydrophobicContact CD2-CD2 4.34Å; L64-F70 HydrophobicContact CD2-CE2 4.26Å; L64-F70 HydrophobicContact CG-CD2 3.88Å; L64-F70 HydrophobicContact CG-CE2 4.22Å; L64-F70 HydrophobicContact CG-CG 4.27Å; L64-F70 WeakPolarHBondContact O-CB 3.49Å |
| 65 | F | 94.3 | Very high | 92.9 | Very high | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -65.8 | -13.7 | -177 | -50.9 | -37.4 | 0 | 0 | 0 | 115 | L55 H59 S63 F70 I71 T101 V104 M105 | L55-F65 HydrophobicContact CB-CZ 4.17Å; H59-F65 HydrophobicContact CB-CD2 3.75Å; H59-F65 HydrophobicContact CB-CE2 3.7Å; H59-F65 HydrophobicContact CB-CG 4.36Å; H59-F65 HydrophobicContact CB-CZ 4.29Å; H59-F65 AromaticContact CE1-CD2 3.92Å; H59-F65 AromaticContact CG-CD2 3.45Å; H59-F65 VanDerWaalsContact CG-CD2 3.45Å; H59-F65 AromaticContact CG-CE2 3.86Å; H59-F65 WeakPolarHBondContact ND1-CB 3.45Å; H59-F65 AromaticContact ND1-CD2 3.2Å; H59-F65 WeakPolarHBondContact ND1-CD2 3.45Å; H59-F65 AromaticContact ND1-CG 3.5Å; H59-F65 PolarHBondContact ND1-N 3.48Å; S63-F65 VanDerWaalsContact C-N 3.29Å; S63-F65 PolarHBondContact O-N 2.92Å; S63-F65 VanDerWaalsContact O-N 3.16Å; F65-F70 HydrophobicContact CD1-CD1 4.13Å; F65-F70 AromaticContact CD1-CE1 3.56Å; F65-F70 HydrophobicContact CD1-CE1 3.56Å; F65-F70 HydrophobicContact CD1-CE2 4.24Å; F65-F70 AromaticContact CD1-CZ 3.61Å; F65-F70 HydrophobicContact CD1-CZ 3.61Å; F65-F70 HydrophobicContact CE1-CE1 4.26Å; F65-F70 HydrophobicContact CE1-CE2 4.37Å; F65-F70 AromaticContact CE1-CZ 3.86Å; F65-F70 HydrophobicContact CE1-CZ 3.86Å; F65-F70 HydrophobicContact CG-CE1 4.46Å; F65-I71 WeakPolarHBondContact O-CG1 3.46Å; F65-T101 HydrophobicContact CE2-CG2 4.18Å; F65-T101 HydrophobicContact CZ-CG2 3.92Å; F65-V104 HydrophobicContact CD2-CB 4.33Å; F65-V104 HydrophobicContact CD2-CG1 3.81Å; F65-V104 HydrophobicContact CE2-CG1 4.34Å; F65-M105 HydrophobicContact CB-CG 4.22Å; F65-M105 HydrophobicContact CD1-CG 3.92Å; F65-M105 HydrophobicContact CD1-SD 4.45Å; F65-M105 HydrophobicContact CD2-CG 3.73Å; F65-M105 HydrophobicContact CE1-CG 4.15Å; F65-M105 HydrophobicContact CE1-SD 4.25Å; F65-M105 HydrophobicContact CE2-CG 3.98Å; F65-M105 HydrophobicContact CG-CG 3.7Å; F65-M105 HydrophobicContact CZ-CG 4.18Å; F65-M105 HydrophobicContact CZ-SD 4.39Å |
| 66 | T | 91.5 | Very high | 93 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -98.2 | -1.4 | 174.5 | 79.4 | 0 | 0 | 0 | 0 | 112.6 | S63 L64 | S63-T66 VanDerWaalsContact CB-OG1 3.27Å; S63-T66 WeakPolarHBondContact CB-OG1 3.5Å; S63-T66 PolarHBondContact O-N 2.97Å; S63-T66 PolarHBondContact O-OG1 3.38Å; L64-T66 PolarHBondContact O-N 3.31Å; L64-T66 VanDerWaalsContact O-N 3.14Å |
| 67 | K | 91.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 52.1 Ų | 52.1 | 24% | 0.243 | 28% | 0.282 | C | S | . | . | trans | -77.7 | 131.4 | 179.1 | -63.1 | -60.8 | -176.4 | 173.3 | 0 | 110.1 | F14 H62 S63 L64 V69 F70 I71 | F14-K67 HydrophobicContact CB-CB 4.46Å; F14-K67 HydrophobicContact CB-CD 3.97Å; F14-K67 HydrophobicContact CB-CG 3.96Å; F14-K67 HydrophobicContact CD1-CB 3.87Å; F14-K67 HydrophobicContact CD1-CG 3.91Å; F14-K67 HydrophobicContact CG-CB 4.38Å; F14-K67 HydrophobicContact CG-CD 4.5Å; F14-K67 HydrophobicContact CG-CG 3.96Å; H62-K67 WeakPolarHBondContact O-CE 3.48Å; S63-K67 PolarHBondContact O-N 3.27Å; L64-K67 VanDerWaalsContact O-CB 3.32Å; L64-K67 WeakPolarHBondContact O-CB 3.39Å; L64-K67 PolarHBondContact O-N 3.37Å; K67-V69 PolarHBondContact O-N 2.77Å; K67-F70 HydrophobicContact CB-CB 4.33Å; K67-F70 WeakPolarHBondContact O-CA 3.37Å; K67-F70 WeakPolarHBondContact O-CB 3.44Å; K67-F70 PolarHBondContact O-N 2.78Å; K67-I71 WeakPolarHBondContact O-CG1 3.27Å; K67-I71 PolarHBondContact O-N 3.14Å | ||
| 68 | E | 91.7 | Very high | 93.3 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56.2 | -38.9 | 179.7 | -168.9 | -177.9 | 156.3 | 0 | 0 | 112.3 | P18 F70 I71 S72 | P18-E68 WeakPolarHBondContact CD-OE1 3.29Å; P18-E68 HydrophobicContact CG-CB 4.4Å; P18-E68 HydrophobicContact CG-CG 3.97Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.21Å; E68-I71 PolarHBondContact O-N 3.37Å; E68-S72 VanDerWaalsContact O-CB 3.27Å; E68-S72 WeakPolarHBondContact O-CB 3.19Å; E68-S72 PolarHBondContact O-N 3.32Å; E68-S72 PolarHBondContact O-OG 2.82Å |
| 69 | V | 91.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.3 | -44.3 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 111.5 | F14 P18 L21 L29 K67 S72 Q73 F74 | F14-V69 HydrophobicContact CD1-CB 4.3Å; P18-V69 HydrophobicContact CB-CG2 4.12Å; P18-V69 HydrophobicContact CG-CG2 4.02Å; L21-V69 HydrophobicContact CD2-CG1 4.17Å; L29-V69 HydrophobicContact CD2-CG1 3.67Å; K67-V69 PolarHBondContact O-N 2.77Å; V69-S72 PolarHBondContact O-OG 2.92Å; V69-Q73 WeakPolarHBondContact O-CB 3.23Å; V69-Q73 PolarHBondContact O-N 3.13Å; V69-F74 HydrophobicContact CG1-CE2 4.42Å |
| 70 | F | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.4 | -47.6 | 178.9 | -177.2 | -86.9 | 0 | 0 | 0 | 111.7 | M33 L64 F65 K67 E68 S72 Q73 F74 Y75 F78 M105 | M33-F70 HydrophobicContact CE-CD2 4.47Å; M33-F70 HydrophobicContact SD-CD2 4.46Å; M33-F70 HydrophobicContact SD-CE2 4.34Å; L64-F70 HydrophobicContact CD1-CB 4.26Å; L64-F70 HydrophobicContact CD1-CD2 3.74Å; L64-F70 HydrophobicContact CD1-CE2 4.45Å; L64-F70 HydrophobicContact CD1-CG 4.18Å; L64-F70 HydrophobicContact CD2-CD2 4.34Å; L64-F70 HydrophobicContact CD2-CE2 4.26Å; L64-F70 HydrophobicContact CG-CD2 3.88Å; L64-F70 HydrophobicContact CG-CE2 4.22Å; L64-F70 HydrophobicContact CG-CG 4.27Å; L64-F70 WeakPolarHBondContact O-CB 3.49Å; F65-F70 HydrophobicContact CD1-CD1 4.13Å; F65-F70 AromaticContact CD1-CE1 3.56Å; F65-F70 HydrophobicContact CD1-CE1 3.56Å; F65-F70 HydrophobicContact CD1-CE2 4.24Å; F65-F70 AromaticContact CD1-CZ 3.61Å; F65-F70 HydrophobicContact CD1-CZ 3.61Å; F65-F70 HydrophobicContact CE1-CE1 4.26Å; F65-F70 HydrophobicContact CE1-CE2 4.37Å; F65-F70 AromaticContact CE1-CZ 3.86Å; F65-F70 HydrophobicContact CE1-CZ 3.86Å; F65-F70 HydrophobicContact CG-CE1 4.46Å; K67-F70 HydrophobicContact CB-CB 4.33Å; K67-F70 WeakPolarHBondContact O-CA 3.37Å; K67-F70 WeakPolarHBondContact O-CB 3.44Å; K67-F70 PolarHBondContact O-N 2.78Å; E68-F70 VanDerWaalsContact C-N 3.31Å; E68-F70 PolarHBondContact O-N 3.21Å; F70-S72 VanDerWaalsContact C-N 3.31Å; F70-S72 PolarHBondContact O-N 3Å; F70-Q73 PolarHBondContact O-N 2.93Å; F70-F74 HydrophobicContact CD2-CB 4.01Å; F70-F74 HydrophobicContact CD2-CD2 4.28Å; F70-F74 HydrophobicContact CE2-CB 4.02Å; F70-F74 PolarHBondContact O-N 3.44Å; F70-Y75 HydrophobicContact CE1-CD2 4.2Å; F70-Y75 PolarHBondContact O-N 3.12Å; F70-F78 AromaticContact CE2-CD2 3.71Å; F70-F78 HydrophobicContact CE2-CD2 3.71Å; F70-F78 AromaticContact CE2-CE2 3.84Å; F70-F78 HydrophobicContact CE2-CE2 3.84Å; F70-F78 HydrophobicContact CE2-CG 4.35Å; F70-F78 HydrophobicContact CZ-CB 4.22Å; F70-F78 AromaticContact CZ-CD2 3.71Å; F70-F78 HydrophobicContact CZ-CD2 3.71Å; F70-F78 HydrophobicContact CZ-CE2 4.3Å; F70-F78 HydrophobicContact CZ-CG 4.01Å; F70-M105 HydrophobicContact CE1-CE 3.91Å; F70-M105 HydrophobicContact CZ-CE 4.03Å |
| 71 | I | 94.3 | Very high | 93.9 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 43% | 0.426 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.7 | -45.4 | -179.6 | -66.4 | 169.5 | 0 | 0 | 0 | 110.8 | F65 K67 E68 Y75 | F65-I71 WeakPolarHBondContact O-CG1 3.46Å; K67-I71 WeakPolarHBondContact O-CG1 3.27Å; K67-I71 PolarHBondContact O-N 3.14Å; E68-I71 PolarHBondContact O-N 3.37Å; I71-Y75 WeakPolarHBondContact O-CB 3.36Å |
| 72 | S | 91.8 | Very high | 94.1 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -77 | -29.8 | -175 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | E68 V69 F70 | E68-S72 VanDerWaalsContact O-CB 3.27Å; E68-S72 WeakPolarHBondContact O-CB 3.19Å; E68-S72 PolarHBondContact O-N 3.32Å; E68-S72 PolarHBondContact O-OG 2.82Å; V69-S72 PolarHBondContact O-OG 2.92Å; F70-S72 VanDerWaalsContact C-N 3.31Å; F70-S72 PolarHBondContact O-N 3Å |
| 73 | Q | 91.7 | Very high | 94.4 | Very high | 55 Ų | 55 | 37.7 Ų | 37.7 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -113.6 | -27.3 | -169.6 | -63.1 | -179.3 | 46.1 | 0 | 0 | 114.6 | V69 F70 | V69-Q73 WeakPolarHBondContact O-CB 3.23Å; V69-Q73 PolarHBondContact O-N 3.13Å; F70-Q73 PolarHBondContact O-N 2.93Å |
| 74 | F | 95 | Very high | 94.6 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.048 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.1 | -20.8 | -167 | -53.4 | -58.6 | 0 | 0 | 0 | 113.6 | L29 R30 M33 V69 F70 N76 D77 F78 | L29-F74 HydrophobicContact CD2-CE2 3.9Å; L29-F74 HydrophobicContact CD2-CZ 4.49Å; L29-F74 HydrophobicContact CG-CE2 4Å; L29-F74 HydrophobicContact CG-CZ 4.3Å; R30-F74 HydrophobicContact CB-CE1 4.27Å; R30-F74 HydrophobicContact CB-CZ 4.25Å; R30-F74 HydrophobicContact CG-CE1 4.23Å; M33-F74 HydrophobicContact CB-CD1 3.73Å; M33-F74 HydrophobicContact CB-CD2 4.42Å; M33-F74 HydrophobicContact CB-CE1 3.85Å; M33-F74 HydrophobicContact CB-CG 4.05Å; M33-F74 HydrophobicContact CB-CZ 4.27Å; M33-F74 HydrophobicContact CG-CD1 4.03Å; M33-F74 HydrophobicContact CG-CD2 3.8Å; M33-F74 HydrophobicContact CG-CE1 4.09Å; M33-F74 HydrophobicContact CG-CE2 3.89Å; M33-F74 HydrophobicContact CG-CG 3.9Å; M33-F74 HydrophobicContact CG-CZ 4.04Å; V69-F74 HydrophobicContact CG1-CE2 4.42Å; F70-F74 HydrophobicContact CD2-CB 4.01Å; F70-F74 HydrophobicContact CD2-CD2 4.28Å; F70-F74 HydrophobicContact CE2-CB 4.02Å; F70-F74 PolarHBondContact O-N 3.44Å; F74-N76 PolarHBondContact O-N 2.95Å; F74-D77 PolarHBondContact O-N 3.21Å; F74-F78 HydrophobicContact CB-CD2 3.9Å; F74-F78 HydrophobicContact CB-CE2 3.97Å; F74-F78 WeakPolarHBondContact O-CD2 3.24Å; F74-F78 PolarHBondContact O-N 3.28Å |
| 75 | Y | 96.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 8% | 0.082 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -51.5 | -51.5 | -173.7 | -174.9 | -87.4 | 0 | 0 | 0 | 113.8 | F70 I71 D77 F78 V79 M105 F113 I117 | F70-Y75 HydrophobicContact CE1-CD2 4.2Å; F70-Y75 PolarHBondContact O-N 3.12Å; I71-Y75 WeakPolarHBondContact O-CB 3.36Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3Å; Y75-F78 PolarHBondContact O-N 3.33Å; Y75-V79 HydrophobicContact CD1-CG2 3.89Å; Y75-V79 HydrophobicContact CE1-CG2 3.5Å; Y75-V79 VanDerWaalsContact CE1-CG2 3.5Å; Y75-V79 HydrophobicContact CE2-CG2 4.32Å; Y75-V79 HydrophobicContact CG-CG2 4.43Å; Y75-V79 WeakPolarHBondContact O-CG2 3.32Å; Y75-V79 PolarHBondContact O-N 2.93Å; Y75-M105 HydrophobicContact CD2-CE 4.01Å; Y75-M105 HydrophobicContact CE2-CB 3.91Å; Y75-M105 HydrophobicContact CE2-CE 4.18Å; Y75-M105 VanDerWaalsContact CE2-O 3.24Å; Y75-M105 WeakPolarHBondContact CE2-O 3.4Å; Y75-M105 HydrophobicContact CG-CE 4.48Å; Y75-M105 PolarHBondContact OH-O 2.76Å; Y75-F113 WeakPolarHBondContact OH-CD2 3.22Å; Y75-I117 HydrophobicContact CD1-CD1 3.84Å; Y75-I117 HydrophobicContact CE1-CD1 3.43Å; Y75-I117 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I117 HydrophobicContact CE1-CG2 4.35Å |
| 76 | N | 95.9 | Very high | 94.8 | Very high | 94 Ų | 94 | 36.3 Ų | 36.3 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.2 | -40.6 | -176.7 | -69.1 | -21.3 | 0 | 0 | 0 | 112.1 | F74 V79 S80 | F74-N76 PolarHBondContact O-N 2.95Å; N76-V79 PolarHBondContact O-N 3.05Å; N76-S80 WeakPolarHBondContact O-CB 3.5Å; N76-S80 PolarHBondContact O-N 2.8Å |
| 77 | D | 95.6 | Very high | 95 | Very high | 94 Ų | 94 | 32.9 Ų | 32.9 | 50% | 0.503 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.5 | -47.7 | 178.7 | -65.2 | -16.9 | 0 | 0 | 0 | 110.3 | F74 Y75 S80 T81 | F74-D77 PolarHBondContact O-N 3.21Å; Y75-D77 VanDerWaalsContact C-N 3.34Å; Y75-D77 PolarHBondContact O-N 3Å; D77-S80 PolarHBondContact O-N 3.33Å; D77-T81 VanDerWaalsContact O-CB 3.31Å; D77-T81 WeakPolarHBondContact O-CB 3.32Å; D77-T81 PolarHBondContact O-N 3.17Å; D77-T81 PolarHBondContact O-OG1 2.98Å; D77-T81 VanDerWaalsContact O-OG1 3.09Å |
| 78 | F | 97.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -43.5 | 178.2 | -83.8 | -83.1 | 0 | 0 | 0 | 112.7 | M33 F36 C37 I40 L55 F70 F74 Y75 S80 T81 L82 M105 | M33-F78 HydrophobicContact CB-CE2 4.1Å; M33-F78 HydrophobicContact CB-CZ 4.39Å; M33-F78 HydrophobicContact CG-CE2 4.41Å; M33-F78 HydrophobicContact SD-CE2 3.78Å; M33-F78 HydrophobicContact SD-CZ 3.84Å; F36-F78 HydrophobicContact CB-CE1 3.95Å; F36-F78 HydrophobicContact CB-CZ 3.76Å; C37-F78 VanDerWaalsContact SG-CZ 3.59Å; I40-F78 HydrophobicContact CD1-CD1 4.07Å; I40-F78 HydrophobicContact CD1-CE1 4.1Å; L55-F78 HydrophobicContact CD1-CD1 3.96Å; L55-F78 HydrophobicContact CD1-CE1 3.67Å; L55-F78 HydrophobicContact CD2-CE1 3.85Å; L55-F78 HydrophobicContact CD2-CZ 4.17Å; L55-F78 HydrophobicContact CG-CE1 4.38Å; F70-F78 AromaticContact CE2-CD2 3.71Å; F70-F78 HydrophobicContact CE2-CD2 3.71Å; F70-F78 AromaticContact CE2-CE2 3.84Å; F70-F78 HydrophobicContact CE2-CE2 3.84Å; F70-F78 HydrophobicContact CE2-CG 4.35Å; F70-F78 HydrophobicContact CZ-CB 4.22Å; F70-F78 AromaticContact CZ-CD2 3.71Å; F70-F78 HydrophobicContact CZ-CD2 3.71Å; F70-F78 HydrophobicContact CZ-CE2 4.3Å; F70-F78 HydrophobicContact CZ-CG 4.01Å; F74-F78 HydrophobicContact CB-CD2 3.9Å; F74-F78 HydrophobicContact CB-CE2 3.97Å; F74-F78 WeakPolarHBondContact O-CD2 3.24Å; F74-F78 PolarHBondContact O-N 3.28Å; Y75-F78 PolarHBondContact O-N 3.33Å; F78-S80 VanDerWaalsContact C-N 3.35Å; F78-T81 PolarHBondContact O-N 3.22Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 WeakPolarHBondContact O-CD1 3.27Å; F78-L82 WeakPolarHBondContact O-CG 3.19Å; F78-L82 PolarHBondContact O-N 3.42Å; F78-M105 HydrophobicContact CB-CE 3.59Å; F78-M105 HydrophobicContact CB-SD 4.42Å |
| 79 | V | 97.6 | Very high | 95 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 177.1 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | Y75 N76 F83 L102 M105 F113 I117 I121 | Y75-V79 HydrophobicContact CD1-CG2 3.89Å; Y75-V79 HydrophobicContact CE1-CG2 3.5Å; Y75-V79 VanDerWaalsContact CE1-CG2 3.5Å; Y75-V79 HydrophobicContact CE2-CG2 4.32Å; Y75-V79 HydrophobicContact CG-CG2 4.43Å; Y75-V79 WeakPolarHBondContact O-CG2 3.32Å; Y75-V79 PolarHBondContact O-N 2.93Å; N76-V79 PolarHBondContact O-N 3.05Å; V79-F83 WeakPolarHBondContact O-CB 3.42Å; V79-F83 PolarHBondContact O-N 3.27Å; V79-L102 HydrophobicContact CB-CD2 4.29Å; V79-L102 HydrophobicContact CG1-CD2 4.05Å; V79-L102 HydrophobicContact CG2-CD2 4.24Å; V79-M105 HydrophobicContact CG2-CE 3.52Å; V79-M105 HydrophobicContact CG2-SD 4.47Å; V79-F113 HydrophobicContact CG1-CD2 4.32Å; V79-F113 HydrophobicContact CG1-CE2 3.5Å; V79-F113 VanDerWaalsContact CG1-CE2 3.5Å; V79-F113 HydrophobicContact CG1-CZ 4.24Å; V79-F113 HydrophobicContact CG2-CE2 4.15Å; V79-I117 HydrophobicContact CB-CG2 4.45Å; V79-I117 HydrophobicContact CG1-CG2 4.07Å; V79-I121 HydrophobicContact CB-CD1 4.25Å; V79-I121 HydrophobicContact CG1-CD1 3.62Å |
| 80 | S | 97.2 | Very high | 94.6 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.1 | -51.5 | 178.4 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | N76 D77 F78 F83 V84 | N76-S80 WeakPolarHBondContact O-CB 3.5Å; N76-S80 PolarHBondContact O-N 2.8Å; D77-S80 PolarHBondContact O-N 3.33Å; F78-S80 VanDerWaalsContact C-N 3.35Å; S80-F83 PolarHBondContact O-N 2.9Å; S80-V84 WeakPolarHBondContact O-CB 3.46Å; S80-V84 VanDerWaalsContact O-CG2 3.25Å; S80-V84 WeakPolarHBondContact O-CG2 3.46Å; S80-V84 PolarHBondContact O-N 2.55Å |
| 81 | T | 96.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 16% | 0.16 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.3 | -54.2 | 178.3 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | I40 V41 D77 F78 F83 V84 T85 | I40-T81 HydrophobicContact CB-CG2 3.8Å; I40-T81 HydrophobicContact CD1-CG2 4.25Å; I40-T81 HydrophobicContact CG2-CG2 3.7Å; V41-T81 HydrophobicContact CG2-CG2 3.55Å; D77-T81 VanDerWaalsContact O-CB 3.31Å; D77-T81 WeakPolarHBondContact O-CB 3.32Å; D77-T81 PolarHBondContact O-N 3.17Å; D77-T81 PolarHBondContact O-OG1 2.98Å; D77-T81 VanDerWaalsContact O-OG1 3.09Å; F78-T81 PolarHBondContact O-N 3.22Å; T81-F83 VanDerWaalsContact C-N 3.35Å; T81-F83 PolarHBondContact O-N 3.43Å; T81-V84 PolarHBondContact O-N 3.2Å; T81-T85 VanDerWaalsContact O-CB 3.3Å; T81-T85 WeakPolarHBondContact O-CB 3.35Å; T81-T85 PolarHBondContact O-N 3.22Å; T81-T85 PolarHBondContact O-OG1 3.3Å |
| 82 | L | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | -178.1 | -69.1 | 165.6 | 0 | 0 | 0 | 111.7 | I40 F78 L86 I98 T101 L102 M105 | I40-L82 HydrophobicContact CD1-CD2 3.92Å; I40-L82 HydrophobicContact CD1-CG 4.4Å; I40-L82 HydrophobicContact CG2-CD2 4.08Å; F78-L82 WeakPolarHBondContact O-CB 3.38Å; F78-L82 WeakPolarHBondContact O-CD1 3.27Å; F78-L82 WeakPolarHBondContact O-CG 3.19Å; F78-L82 PolarHBondContact O-N 3.42Å; L82-L86 WeakPolarHBondContact O-CG 3.05Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.08Å; L82-I98 HydrophobicContact CB-CG2 3.89Å; L82-I98 HydrophobicContact CD2-CG1 4.46Å; L82-I98 HydrophobicContact CD2-CG2 3.78Å; L82-I98 HydrophobicContact CG-CG2 4.41Å; L82-T101 HydrophobicContact CD1-CG2 3.89Å; L82-L102 HydrophobicContact CB-CD1 3.94Å; L82-L102 HydrophobicContact CB-CD2 3.83Å; L82-L102 HydrophobicContact CB-CG 3.76Å; L82-L102 HydrophobicContact CD1-CD2 4.05Å; L82-L102 HydrophobicContact CD1-CG 4.12Å; L82-M105 HydrophobicContact CD1-SD 3.85Å |
| 83 | F | 97.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.2 | -43 | -179.1 | -177.1 | -100.9 | 0 | 0 | 0 | 112.3 | V79 S80 T81 L86 V87 L102 L118 I121 M122 L153 V156 V157 T160 | V79-F83 WeakPolarHBondContact O-CB 3.42Å; V79-F83 PolarHBondContact O-N 3.27Å; S80-F83 PolarHBondContact O-N 2.9Å; T81-F83 VanDerWaalsContact C-N 3.35Å; T81-F83 PolarHBondContact O-N 3.43Å; F83-L86 WeakPolarHBondContact O-CB 3.42Å; F83-L86 PolarHBondContact O-N 3.11Å; F83-V87 HydrophobicContact CD1-CG2 4.11Å; F83-V87 HydrophobicContact CE1-CG2 3.6Å; F83-V87 HydrophobicContact CE2-CG2 4.15Å; F83-V87 HydrophobicContact CZ-CG2 3.6Å; F83-V87 WeakPolarHBondContact O-CG2 3.22Å; F83-V87 PolarHBondContact O-N 2.9Å; F83-L102 HydrophobicContact CB-CD1 4.31Å; F83-L118 HydrophobicContact CB-CD1 4.35Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.6Å; F83-L118 HydrophobicContact CE1-CD1 3.92Å; F83-L118 HydrophobicContact CE2-CD1 3.75Å; F83-L118 HydrophobicContact CG-CD1 3.61Å; F83-L118 HydrophobicContact CZ-CD1 3.92Å; F83-I121 HydrophobicContact CD1-CG2 3.78Å; F83-M122 HydrophobicContact CE1-CE 4.15Å; F83-M122 HydrophobicContact CE1-CG 3.72Å; F83-M122 HydrophobicContact CE2-CE 4.01Å; F83-M122 HydrophobicContact CZ-CE 3.41Å; F83-M122 VanDerWaalsContact CZ-CE 3.41Å; F83-M122 HydrophobicContact CZ-CG 3.96Å; F83-L153 HydrophobicContact CD2-CD1 4.31Å; F83-L153 HydrophobicContact CE2-CD1 4.21Å; F83-V156 HydrophobicContact CE2-CG1 4.49Å; F83-V157 HydrophobicContact CD2-CG2 4.18Å; F83-V157 HydrophobicContact CE2-CG2 3.76Å; F83-T160 HydrophobicContact CE1-CG2 4.18Å; F83-T160 HydrophobicContact CZ-CG2 4.08Å |
| 84 | V | 96.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.17 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 177.5 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | S80 T81 L86 V87 N88 I121 N125 | S80-V84 WeakPolarHBondContact O-CB 3.46Å; S80-V84 VanDerWaalsContact O-CG2 3.25Å; S80-V84 WeakPolarHBondContact O-CG2 3.46Å; S80-V84 PolarHBondContact O-N 2.55Å; T81-V84 PolarHBondContact O-N 3.2Å; V84-L86 VanDerWaalsContact C-N 3.31Å; V84-L86 PolarHBondContact O-N 3.38Å; V84-V87 PolarHBondContact O-N 3.19Å; V84-N88 WeakPolarHBondContact O-CB 3.25Å; V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 2.89Å; V84-I121 HydrophobicContact CG2-CG2 4.35Å; V84-N125 HydrophobicContact CG2-CB 3.61Å |
| 85 | T | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -56 | -45.3 | 172.8 | -69.1 | 0 | 0 | 0 | 0 | 111 | I40 T81 N88 R89 E90 I98 | I40-T85 HydrophobicContact CG2-CG2 4.29Å; T81-T85 VanDerWaalsContact O-CB 3.3Å; T81-T85 WeakPolarHBondContact O-CB 3.35Å; T81-T85 PolarHBondContact O-N 3.22Å; T81-T85 PolarHBondContact O-OG1 3.3Å; T85-N88 PolarHBondContact O-N 2.99Å; T85-R89 PolarHBondContact O-N 3.21Å; T85-R89 VanDerWaalsContact O-N 3.17Å; T85-E90 HydrophobicContact CG2-CB 3.64Å; T85-E90 WeakPolarHBondContact CG2-O 3.47Å; T85-E90 PolarHBondContact O-N 3.39Å; T85-E90 PolarHBondContact OG1-OE2 3.45Å; T85-E90 VanDerWaalsContact OG1-OE2 3.11Å; T85-I98 HydrophobicContact CG2-CD1 3.95Å |
| 86 | L | 95.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.9 | -74.3 | 176.3 | 0 | 0 | 0 | 112.9 | L82 F83 V84 N88 R89 L95 I98 L102 L153 V157 | L82-L86 WeakPolarHBondContact O-CG 3.05Å; L82-L86 PolarHBondContact O-N 2.93Å; L82-L86 VanDerWaalsContact O-N 3.08Å; F83-L86 WeakPolarHBondContact O-CB 3.42Å; F83-L86 PolarHBondContact O-N 3.11Å; V84-L86 VanDerWaalsContact C-N 3.31Å; V84-L86 PolarHBondContact O-N 3.38Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.95Å; L86-R89 PolarHBondContact O-N 3.27Å; L86-R89 VanDerWaalsContact O-N 3.09Å; L86-L95 HydrophobicContact CD2-CD1 3.81Å; L86-L95 HydrophobicContact CD2-CG 4.24Å; L86-I98 HydrophobicContact CD1-CG2 3.76Å; L86-I98 HydrophobicContact CD2-CB 3.88Å; L86-I98 HydrophobicContact CD2-CD1 4.4Å; L86-I98 HydrophobicContact CD2-CG2 3.79Å; L86-I98 HydrophobicContact CG-CB 4.2Å; L86-I98 HydrophobicContact CG-CG2 3.53Å; L86-L102 HydrophobicContact CD1-CD1 3.66Å; L86-L153 HydrophobicContact CD1-CD2 4.31Å; L86-V157 HydrophobicContact CB-CB 4.5Å; L86-V157 HydrophobicContact CB-CG1 3.79Å; L86-V157 HydrophobicContact CB-CG2 3.83Å; L86-V157 HydrophobicContact CD1-CG2 3.89Å; L86-V157 HydrophobicContact CG-CG2 4.48Å; L86-V157 WeakPolarHBondContact O-CG1 3.43Å |
| 87 | V | 95.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -33.3 | -177.7 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | F83 V84 R89 V157 T160 R164 | F83-V87 HydrophobicContact CD1-CG2 4.11Å; F83-V87 HydrophobicContact CE1-CG2 3.6Å; F83-V87 HydrophobicContact CE2-CG2 4.15Å; F83-V87 HydrophobicContact CZ-CG2 3.6Å; F83-V87 WeakPolarHBondContact O-CG2 3.22Å; F83-V87 PolarHBondContact O-N 2.9Å; V84-V87 PolarHBondContact O-N 3.19Å; V87-R89 PolarHBondContact O-N 3.21Å; V87-V157 HydrophobicContact CG2-CG1 4.11Å; V87-T160 HydrophobicContact CG1-CG2 4.11Å; V87-T160 HydrophobicContact CG2-CG2 3.9Å; V87-R164 PolarHBondContact O-NH2 3.34Å; V87-R164 VanDerWaalsContact O-NH2 3.16Å |
| 88 | N | 93.3 | Very high | 93.7 | Very high | 64 Ų | 64 | 39.2 Ų | 39.2 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -75.7 | -7.9 | 173.8 | -70.8 | -10.4 | 0 | 0 | 0 | 113.2 | V84 T85 L86 E90 R164 | V84-N88 WeakPolarHBondContact O-CB 3.25Å; V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 2.89Å; T85-N88 PolarHBondContact O-N 2.99Å; L86-N88 VanDerWaalsContact C-N 3.33Å; L86-N88 PolarHBondContact O-N 2.95Å; N88-E90 HydrophobicContact CB-CG 3.8Å; N88-E90 WeakPolarHBondContact CB-OE1 3.32Å; N88-E90 PolarHBondContact ND2-OE1 3.43Å; N88-E90 PolarHBondContact O-N 3.19Å; N88-R164 PolarHBondContact OD1-NH1 3.41Å; N88-R164 PolarHBondContact OD1-NH2 3.31Å |
| 89 | R | 90.5 | Very high | 93.7 | Very high | 152 Ų | 152 | 39.2 Ų | 39.2 | 57% | 0.574 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30.6 | -171.5 | -58.8 | -168.2 | -178.5 | -167.5 | 0.7 | 112.3 | T85 L86 V87 H91 D92 | T85-R89 PolarHBondContact O-N 3.21Å; T85-R89 VanDerWaalsContact O-N 3.17Å; L86-R89 PolarHBondContact O-N 3.27Å; L86-R89 VanDerWaalsContact O-N 3.09Å; V87-R89 PolarHBondContact O-N 3.21Å; R89-H91 PolarHBondContact O-N 3.44Å; R89-D92 VanDerWaalsContact CB-OD1 3.3Å; R89-D92 WeakPolarHBondContact CB-OD1 3.37Å |
| 90 | E | 82.5 | Confident | 93.6 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.252 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 121.5 | 167.8 | -71.9 | 162.9 | -158.3 | 0 | 0 | 106.4 | T85 N88 | T85-E90 HydrophobicContact CG2-CB 3.64Å; T85-E90 WeakPolarHBondContact CG2-O 3.47Å; T85-E90 PolarHBondContact O-N 3.39Å; T85-E90 PolarHBondContact OG1-OE2 3.45Å; T85-E90 VanDerWaalsContact OG1-OE2 3.11Å; N88-E90 HydrophobicContact CB-CG 3.8Å; N88-E90 WeakPolarHBondContact CB-OE1 3.32Å; N88-E90 PolarHBondContact ND2-OE1 3.43Å; N88-E90 PolarHBondContact O-N 3.19Å |
| 91 | H | 84.9 | Confident | 93.5 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 12% | 0.12 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 50.8 | 179.8 | -47 | -66.8 | 0 | 0 | 0 | 115.2 | I40 E42 L45 R89 I93 L94 | I40-H91 PolarHBondContact O-NE2 3.27Å; E42-H91 PolarHBondContact O-CE1 2.92Å; E42-H91 PolarHBondContact O-NE2 3.49Å; L45-H91 HydrophobicContact CD1-CB 4.11Å; R89-H91 PolarHBondContact O-N 3.44Å; H91-I93 PolarHBondContact O-N 3.46Å; H91-L94 HydrophobicContact CB-CB 4.21Å; H91-L94 HydrophobicContact CB-CD1 4.02Å; H91-L94 HydrophobicContact CB-CG 4.18Å; H91-L94 WeakPolarHBondContact O-CA 3.44Å; H91-L94 PolarHBondContact O-N 2.91Å |
| 92 | D | 89 | Confident | 93.6 | Very high | 90 Ų | 90 | 40 Ų | 40 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -48 | -27.7 | 175.1 | -87.6 | -14.1 | 0 | 0 | 0 | 114.3 | R89 L94 L95 | R89-D92 VanDerWaalsContact CB-OD1 3.3Å; R89-D92 WeakPolarHBondContact CB-OD1 3.37Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.25Å; D92-L95 VanDerWaalsContact O-CB 3.28Å; D92-L95 WeakPolarHBondContact O-CB 3.33Å; D92-L95 PolarHBondContact O-N 3.07Å |
| 93 | I | 91.2 | Very high | 93.5 | Very high | 137 Ų | 137 | 40 Ų | 40 | 70% | 0.703 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -64.5 | -29.5 | 175.4 | -64.4 | 168.5 | 0 | 0 | 0 | 112.2 | L45 H91 | L45-I93 HydrophobicContact CD1-CB 4.29Å; L45-I93 HydrophobicContact CD2-CD1 3.76Å; H91-I93 PolarHBondContact O-N 3.46Å |
| 94 | L | 92.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 41.9 Ų | 41.9 | 2% | 0.021 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -97.2 | 9.2 | -179.8 | -56.6 | 179.8 | 0 | 0 | 0 | 112.7 | L45 A48 K49 I52 H91 D92 D96 D97 I98 | L45-L94 HydrophobicContact CD1-CD1 3.77Å; L45-L94 HydrophobicContact CD1-CD2 4.3Å; L45-L94 HydrophobicContact CD1-CG 3.71Å; A48-L94 HydrophobicContact CB-CD1 3.9Å; K49-L94 HydrophobicContact CB-CD1 4.01Å; K49-L94 HydrophobicContact CB-CD2 4.03Å; K49-L94 HydrophobicContact CD-CD2 4.35Å; K49-L94 HydrophobicContact CG-CD2 3.99Å; I52-L94 HydrophobicContact CD1-CD1 3.93Å; H91-L94 HydrophobicContact CB-CB 4.21Å; H91-L94 HydrophobicContact CB-CD1 4.02Å; H91-L94 HydrophobicContact CB-CG 4.18Å; H91-L94 WeakPolarHBondContact O-CA 3.44Å; H91-L94 PolarHBondContact O-N 2.91Å; D92-L94 VanDerWaalsContact C-N 3.26Å; D92-L94 PolarHBondContact O-N 3.25Å; L94-D96 PolarHBondContact O-N 2.93Å; L94-D97 PolarHBondContact O-N 2.97Å; L94-D97 VanDerWaalsContact O-N 3.11Å; L94-I98 HydrophobicContact CB-CD1 3.99Å; L94-I98 HydrophobicContact CB-CG1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.44Å |
| 95 | L | 93.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 40.8 Ų | 40.8 | 24% | 0.236 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -49 | -46.9 | -178.1 | -176 | 99.8 | 0 | 0 | 0 | 111.8 | L86 D92 C99 K154 | L86-L95 HydrophobicContact CD2-CD1 3.81Å; L86-L95 HydrophobicContact CD2-CG 4.24Å; D92-L95 VanDerWaalsContact O-CB 3.28Å; D92-L95 WeakPolarHBondContact O-CB 3.33Å; D92-L95 PolarHBondContact O-N 3.07Å; L95-C99 WeakPolarHBondContact O-CB 3.44Å; L95-C99 PolarHBondContact O-N 3.48Å; L95-C99 PolarHBondContact O-SG 2.78Å; L95-C99 VanDerWaalsContact O-SG 3.34Å; L95-K154 HydrophobicContact CD2-CD 3.82Å; L95-K154 HydrophobicContact CD2-CG 3.91Å; L95-K154 HydrophobicContact CG-CG 4.43Å |
| 96 | D | 94.2 | Very high | 93.5 | Very high | 87 Ų | 87 | 40.8 Ų | 40.8 | 47% | 0.465 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.5 | -49 | -179.7 | -69.2 | -9.4 | 0 | 0 | 0 | 111.6 | L94 I98 C99 D100 K154 | L94-D96 PolarHBondContact O-N 2.93Å; D96-I98 VanDerWaalsContact C-N 3.32Å; D96-I98 PolarHBondContact O-N 3.5Å; D96-C99 PolarHBondContact O-N 3.49Å; D96-D100 WeakPolarHBondContact O-CB 3.21Å; D96-D100 PolarHBondContact O-N 3.42Å; D96-K154 WeakPolarHBondContact OD1-CE 3.19Å; D96-K154 IonicContact OD1-NZ 2.55Å; D96-K154 PolarHBondContact OD1-NZ 2.99Å |
| 97 | D | 94 | Very high | 93.4 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 39% | 0.385 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 179.7 | -69 | -52 | 0 | 0 | 0 | 111.8 | I52 L94 T101 | I52-D97 HydrophobicContact CG2-CB 4.05Å; L94-D97 PolarHBondContact O-N 2.97Å; L94-D97 VanDerWaalsContact O-N 3.11Å; D97-T101 WeakPolarHBondContact O-CB 3.4Å; D97-T101 PolarHBondContact O-N 2.89Å; D97-T101 PolarHBondContact O-OG1 3.41Å |
| 98 | I | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.2 | -43 | 179 | -62.9 | 168.7 | 0 | 0 | 0 | 110.5 | I52 L82 T85 L86 L94 D96 T101 L102 | I52-I98 HydrophobicContact CD1-CD1 4.02Å; I52-I98 HydrophobicContact CD1-CG1 3.48Å; I52-I98 VanDerWaalsContact CD1-CG1 3.48Å; I52-I98 HydrophobicContact CG1-CG1 4.49Å; L82-I98 HydrophobicContact CB-CG2 3.89Å; L82-I98 HydrophobicContact CD2-CG1 4.46Å; L82-I98 HydrophobicContact CD2-CG2 3.78Å; L82-I98 HydrophobicContact CG-CG2 4.41Å; T85-I98 HydrophobicContact CG2-CD1 3.95Å; L86-I98 HydrophobicContact CD1-CG2 3.76Å; L86-I98 HydrophobicContact CD2-CB 3.88Å; L86-I98 HydrophobicContact CD2-CD1 4.4Å; L86-I98 HydrophobicContact CD2-CG2 3.79Å; L86-I98 HydrophobicContact CG-CB 4.2Å; L86-I98 HydrophobicContact CG-CG2 3.53Å; L94-I98 HydrophobicContact CB-CD1 3.99Å; L94-I98 HydrophobicContact CB-CG1 4.2Å; L94-I98 WeakPolarHBondContact O-CG1 3.45Å; L94-I98 PolarHBondContact O-N 3.44Å; D96-I98 VanDerWaalsContact C-N 3.32Å; D96-I98 PolarHBondContact O-N 3.5Å; I98-T101 PolarHBondContact O-N 3.28Å; I98-L102 HydrophobicContact CG2-CD1 4.44Å; I98-L102 PolarHBondContact O-N 3.34Å |
| 99 | C | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -45.4 | 175.2 | -79.4 | 0 | 0 | 0 | 0 | 111.8 | L95 D96 T101 L102 A103 L153 | L95-C99 WeakPolarHBondContact O-CB 3.44Å; L95-C99 PolarHBondContact O-N 3.48Å; L95-C99 PolarHBondContact O-SG 2.78Å; L95-C99 VanDerWaalsContact O-SG 3.34Å; D96-C99 PolarHBondContact O-N 3.49Å; C99-T101 VanDerWaalsContact C-N 3.34Å; C99-T101 PolarHBondContact O-N 3.33Å; C99-L102 PolarHBondContact O-N 3.07Å; C99-A103 WeakPolarHBondContact O-CB 3.36Å; C99-A103 PolarHBondContact O-N 2.87Å; C99-L153 HydrophobicContact CB-CD2 4.22Å |
| 100 | D | 95.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 39.6 Ų | 39.6 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.1 | -39.5 | 178.1 | -74 | -9.8 | 0 | 0 | 0 | 111.4 | D96 A103 V104 S150 | D96-D100 WeakPolarHBondContact O-CB 3.21Å; D96-D100 PolarHBondContact O-N 3.42Å; D100-A103 WeakPolarHBondContact O-CB 3.36Å; D100-A103 PolarHBondContact O-N 2.89Å; D100-V104 VanDerWaalsContact O-CG2 3.32Å; D100-V104 WeakPolarHBondContact O-CG2 3.45Å; D100-V104 PolarHBondContact O-N 2.94Å; D100-S150 WeakPolarHBondContact CA-OG 3.43Å; D100-S150 VanDerWaalsContact OD1-CB 3.26Å; D100-S150 WeakPolarHBondContact OD1-CB 3.33Å; D100-S150 PolarHBondContact OD1-OG 3.19Å |
| 101 | T | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.8 | -47 | 174.9 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | N56 F65 L82 D97 I98 C99 A103 V104 M105 | N56-T101 PolarHBondContact ND2-OG1 3.1Å; N56-T101 VanDerWaalsContact ND2-OG1 3.09Å; N56-T101 PolarHBondContact OD1-OG1 2.96Å; F65-T101 HydrophobicContact CE2-CG2 4.18Å; F65-T101 HydrophobicContact CZ-CG2 3.92Å; L82-T101 HydrophobicContact CD1-CG2 3.89Å; D97-T101 WeakPolarHBondContact O-CB 3.4Å; D97-T101 PolarHBondContact O-N 2.89Å; D97-T101 PolarHBondContact O-OG1 3.41Å; I98-T101 PolarHBondContact O-N 3.28Å; C99-T101 VanDerWaalsContact C-N 3.34Å; C99-T101 PolarHBondContact O-N 3.33Å; T101-A103 VanDerWaalsContact C-N 3.34Å; T101-A103 PolarHBondContact O-N 3.25Å; T101-V104 PolarHBondContact O-N 3.19Å; T101-M105 HydrophobicContact CG2-SD 4.42Å; T101-M105 WeakPolarHBondContact O-CG 3.31Å; T101-M105 PolarHBondContact O-N 3.25Å; T101-M105 VanDerWaalsContact O-N 3.14Å |
| 102 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.1 | -39.1 | 175.3 | -82.5 | 172.7 | 0 | 0 | 0 | 112.2 | V79 L82 F83 L86 I98 C99 M105 A106 L153 | V79-L102 HydrophobicContact CB-CD2 4.29Å; V79-L102 HydrophobicContact CG1-CD2 4.05Å; V79-L102 HydrophobicContact CG2-CD2 4.24Å; L82-L102 HydrophobicContact CB-CD1 3.94Å; L82-L102 HydrophobicContact CB-CD2 3.83Å; L82-L102 HydrophobicContact CB-CG 3.76Å; L82-L102 HydrophobicContact CD1-CD2 4.05Å; L82-L102 HydrophobicContact CD1-CG 4.12Å; F83-L102 HydrophobicContact CB-CD1 4.31Å; L86-L102 HydrophobicContact CD1-CD1 3.66Å; I98-L102 HydrophobicContact CG2-CD1 4.44Å; I98-L102 PolarHBondContact O-N 3.34Å; C99-L102 PolarHBondContact O-N 3.07Å; L102-M105 PolarHBondContact O-N 3.39Å; L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 2.91Å; L102-L153 HydrophobicContact CB-CD2 3.85Å; L102-L153 HydrophobicContact CD1-CD2 3.83Å |
| 103 | A | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | C99 D100 T101 M105 A106 C107 V146 F149 | C99-A103 WeakPolarHBondContact O-CB 3.36Å; C99-A103 PolarHBondContact O-N 2.87Å; D100-A103 WeakPolarHBondContact O-CB 3.36Å; D100-A103 PolarHBondContact O-N 2.89Å; T101-A103 VanDerWaalsContact C-N 3.34Å; T101-A103 PolarHBondContact O-N 3.25Å; A103-M105 PolarHBondContact O-N 3.42Å; A103-A106 PolarHBondContact O-N 2.98Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A103-C107 VanDerWaalsContact O-CB 3.31Å; A103-C107 WeakPolarHBondContact O-CB 3.13Å; A103-C107 PolarHBondContact O-N 3.3Å; A103-C107 PolarHBondContact O-SG 3.2Å; A103-V146 HydrophobicContact CB-CB 4.26Å; A103-V146 HydrophobicContact CB-CG1 3.83Å; A103-V146 HydrophobicContact CB-CG2 4.22Å; A103-F149 VanDerWaalsContact CA-CD1 3.5Å; A103-F149 HydrophobicContact CB-CB 4.2Å; A103-F149 HydrophobicContact CB-CD1 3.47Å; A103-F149 VanDerWaalsContact CB-CD1 3.47Å; A103-F149 HydrophobicContact CB-CE1 4.15Å; A103-F149 HydrophobicContact CB-CG 4.13Å |
| 104 | V | 95.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 34.4 Ų | 34.4 | 24% | 0.236 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.3 | -31.5 | 178 | -179.8 | 0 | 0 | 0 | 0 | 111.7 | H59 F65 D100 T101 P108 V146 | H59-V104 VanDerWaalsContact CD2-CG1 3.48Å; H59-V104 WeakPolarHBondContact CD2-CG1 3.34Å; H59-V104 WeakPolarHBondContact NE2-CG1 3.38Å; F65-V104 HydrophobicContact CD2-CB 4.33Å; F65-V104 HydrophobicContact CD2-CG1 3.81Å; F65-V104 HydrophobicContact CE2-CG1 4.34Å; D100-V104 VanDerWaalsContact O-CG2 3.32Å; D100-V104 WeakPolarHBondContact O-CG2 3.45Å; D100-V104 PolarHBondContact O-N 2.94Å; T101-V104 PolarHBondContact O-N 3.19Å; V104-P108 VanDerWaalsContact O-CD 3.29Å; V104-P108 WeakPolarHBondContact O-CD 3.3Å; V104-V146 HydrophobicContact CG2-CG2 4.08Å |
| 105 | M | 96.7 | Very high | 95.5 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -74 | -35.8 | 173.1 | -68.8 | 174.6 | 72.7 | 0 | 0 | 113 | F65 F70 Y75 F78 V79 L82 T101 L102 A103 | F65-M105 HydrophobicContact CB-CG 4.22Å; F65-M105 HydrophobicContact CD1-CG 3.92Å; F65-M105 HydrophobicContact CD1-SD 4.45Å; F65-M105 HydrophobicContact CD2-CG 3.73Å; F65-M105 HydrophobicContact CE1-CG 4.15Å; F65-M105 HydrophobicContact CE1-SD 4.25Å; F65-M105 HydrophobicContact CE2-CG 3.98Å; F65-M105 HydrophobicContact CG-CG 3.7Å; F65-M105 HydrophobicContact CZ-CG 4.18Å; F65-M105 HydrophobicContact CZ-SD 4.39Å; F70-M105 HydrophobicContact CE1-CE 3.91Å; F70-M105 HydrophobicContact CZ-CE 4.03Å; Y75-M105 HydrophobicContact CD2-CE 4.01Å; Y75-M105 HydrophobicContact CE2-CB 3.91Å; Y75-M105 HydrophobicContact CE2-CE 4.18Å; Y75-M105 VanDerWaalsContact CE2-O 3.24Å; Y75-M105 WeakPolarHBondContact CE2-O 3.4Å; Y75-M105 HydrophobicContact CG-CE 4.48Å; Y75-M105 PolarHBondContact OH-O 2.76Å; F78-M105 HydrophobicContact CB-CE 3.59Å; F78-M105 HydrophobicContact CB-SD 4.42Å; V79-M105 HydrophobicContact CG2-CE 3.52Å; V79-M105 HydrophobicContact CG2-SD 4.47Å; L82-M105 HydrophobicContact CD1-SD 3.85Å; T101-M105 HydrophobicContact CG2-SD 4.42Å; T101-M105 WeakPolarHBondContact O-CG 3.31Å; T101-M105 PolarHBondContact O-N 3.25Å; T101-M105 VanDerWaalsContact O-N 3.14Å; L102-M105 PolarHBondContact O-N 3.39Å; A103-M105 PolarHBondContact O-N 3.42Å |
| 106 | A | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -87.3 | -44 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | L102 A103 P108 N109 L110 F113 F149 | L102-A106 WeakPolarHBondContact O-CB 3.42Å; L102-A106 PolarHBondContact O-N 2.91Å; A103-A106 PolarHBondContact O-N 2.98Å; A103-A106 VanDerWaalsContact O-N 3.14Å; A106-P108 VanDerWaalsContact C-N 3.32Å; A106-P108 VanDerWaalsContact O-N 3.16Å; A106-N109 CarbonylContact O-C 3.59Å; A106-N109 VanDerWaalsContact O-C 3.22Å; A106-N109 PolarHBondContact O-N 3.35Å; A106-L110 HydrophobicContact CB-CD2 4.23Å; A106-L110 PolarHBondContact O-N 3.21Å; A106-F113 HydrophobicContact CB-CB 4.22Å; A106-F113 HydrophobicContact CB-CD1 3.74Å; A106-F113 HydrophobicContact CB-CD2 3.59Å; A106-F113 HydrophobicContact CB-CE1 3.92Å; A106-F113 HydrophobicContact CB-CE2 3.74Å; A106-F113 HydrophobicContact CB-CG 3.57Å; A106-F113 HydrophobicContact CB-CZ 3.92Å; A106-F149 HydrophobicContact CB-CE1 4.04Å; A106-F149 HydrophobicContact CB-CE2 3.87Å; A106-F149 HydrophobicContact CB-CZ 3.44Å; A106-F149 VanDerWaalsContact CB-CZ 3.44Å |
| 107 | C | 93.6 | Very high | 95.8 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -53.3 | -36.5 | -173.2 | -72.3 | 0 | 0 | 0 | 0 | 114.7 | A103 N109 | A103-C107 VanDerWaalsContact O-CB 3.31Å; A103-C107 WeakPolarHBondContact O-CB 3.13Å; A103-C107 PolarHBondContact O-N 3.3Å; A103-C107 PolarHBondContact O-SG 3.2Å; C107-N109 PolarHBondContact O-N 3.4Å |
| 108 | P | 91.6 | Very high | 96 | Very high | 94 Ų | 94 | 37.1 Ų | 37.1 | 61% | 0.61 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -62.2 | -24.1 | 176.9 | -26.1 | 36.4 | 0 | 0 | 0 | 115 | V104 A106 | V104-P108 VanDerWaalsContact O-CD 3.29Å; V104-P108 WeakPolarHBondContact O-CD 3.3Å; A106-P108 VanDerWaalsContact C-N 3.32Å; A106-P108 VanDerWaalsContact O-N 3.16Å |
| 109 | N | 93.4 | Very high | 96 | Very high | 72 Ų | 72 | 37.4 Ų | 37.4 | 39% | 0.385 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -149.6 | 68 | 177.4 | -166.8 | -14.2 | 0 | 0 | 0 | 111.2 | A106 C107 D111 Q112 F113 | A106-N109 CarbonylContact O-C 3.59Å; A106-N109 VanDerWaalsContact O-C 3.22Å; A106-N109 PolarHBondContact O-N 3.35Å; C107-N109 PolarHBondContact O-N 3.4Å; N109-D111 VanDerWaalsContact C-N 3.26Å; N109-D111 PolarHBondContact O-N 3.5Å; N109-Q112 HydrophobicContact CB-CB 4.36Å; N109-Q112 VanDerWaalsContact CG-CB 3.44Å; N109-Q112 WeakPolarHBondContact ND2-CB 3Å; N109-Q112 PolarHBondContact ND2-OE1 3.18Å; N109-Q112 PolarHBondContact O-N 2.98Å; N109-Q112 VanDerWaalsContact OD1-CB 3.28Å; N109-Q112 WeakPolarHBondContact OD1-CB 3.25Å; N109-Q112 PolarHBondContact OD1-N 3.24Å; N109-Q112 VanDerWaalsContact OD1-N 3.09Å; N109-F113 WeakPolarHBondContact O-CB 3.26Å; N109-F113 PolarHBondContact O-N 3.14Å |
| 110 | L | 95.3 | Very high | 96.1 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 5% | 0.047 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -35.3 | -179 | -74.2 | 176.8 | 0 | 0 | 0 | 113.1 | A106 F113 C114 C143 F149 | A106-L110 HydrophobicContact CB-CD2 4.23Å; A106-L110 PolarHBondContact O-N 3.21Å; L110-F113 PolarHBondContact O-N 2.9Å; L110-C114 VanDerWaalsContact O-CB 3.27Å; L110-C114 WeakPolarHBondContact O-CB 3.4Å; L110-C114 PolarHBondContact O-N 3.44Å; L110-C114 PolarHBondContact O-SG 3.48Å; L110-C143 WeakPolarHBondContact CD1-O 3.29Å; L110-F149 HydrophobicContact CD2-CD2 3.69Å; L110-F149 HydrophobicContact CD2-CE2 3.4Å; L110-F149 VanDerWaalsContact CD2-CE2 3.4Å; L110-F149 HydrophobicContact CD2-CZ 4.46Å |
| 111 | D | 95.9 | Very high | 96.2 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 57% | 0.567 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -61.3 | -47.2 | 178.3 | -75 | -53.2 | 0 | 0 | 0 | 111.4 | N109 N115 | N109-D111 VanDerWaalsContact C-N 3.26Å; N109-D111 PolarHBondContact O-N 3.5Å; D111-N115 WeakPolarHBondContact O-CB 3.47Å; D111-N115 PolarHBondContact O-N 2.97Å; D111-N115 PolarHBondContact O-ND2 3.26Å |
| 112 | Q | 95.8 | Very high | 96.3 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68 | -40.8 | 176.9 | -173.9 | 177.9 | 10 | 0 | 0 | 111.6 | N109 K116 I117 | N109-Q112 HydrophobicContact CB-CB 4.36Å; N109-Q112 VanDerWaalsContact CG-CB 3.44Å; N109-Q112 WeakPolarHBondContact ND2-CB 3Å; N109-Q112 PolarHBondContact ND2-OE1 3.18Å; N109-Q112 PolarHBondContact O-N 2.98Å; N109-Q112 VanDerWaalsContact OD1-CB 3.28Å; N109-Q112 WeakPolarHBondContact OD1-CB 3.25Å; N109-Q112 PolarHBondContact OD1-N 3.24Å; N109-Q112 VanDerWaalsContact OD1-N 3.09Å; Q112-K116 WeakPolarHBondContact O-CB 3.28Å; Q112-K116 PolarHBondContact O-N 3.4Å; Q112-I117 HydrophobicContact CG-CD1 3.91Å; Q112-I117 HydrophobicContact CG-CG1 4.29Å; Q112-I117 PolarHBondContact O-N 3.35Å |
| 113 | F | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -63.1 | -52.1 | 179.9 | -177.8 | -92 | 0 | 0 | 0 | 111.7 | Y75 V79 A106 N109 L110 I117 L118 L140 F149 | Y75-F113 WeakPolarHBondContact OH-CD2 3.22Å; V79-F113 HydrophobicContact CG1-CD2 4.32Å; V79-F113 HydrophobicContact CG1-CE2 3.5Å; V79-F113 VanDerWaalsContact CG1-CE2 3.5Å; V79-F113 HydrophobicContact CG1-CZ 4.24Å; V79-F113 HydrophobicContact CG2-CE2 4.15Å; A106-F113 HydrophobicContact CB-CB 4.22Å; A106-F113 HydrophobicContact CB-CD1 3.74Å; A106-F113 HydrophobicContact CB-CD2 3.59Å; A106-F113 HydrophobicContact CB-CE1 3.92Å; A106-F113 HydrophobicContact CB-CE2 3.74Å; A106-F113 HydrophobicContact CB-CG 3.57Å; A106-F113 HydrophobicContact CB-CZ 3.92Å; N109-F113 WeakPolarHBondContact O-CB 3.26Å; N109-F113 PolarHBondContact O-N 3.14Å; L110-F113 PolarHBondContact O-N 2.9Å; F113-I117 PolarHBondContact O-N 3.14Å; F113-L118 HydrophobicContact CD1-CB 4.21Å; F113-L118 HydrophobicContact CD1-CD2 4.42Å; F113-L118 HydrophobicContact CE1-CB 3.87Å; F113-L118 HydrophobicContact CE1-CD2 3.53Å; F113-L118 HydrophobicContact CE1-CG 4.21Å; F113-L118 HydrophobicContact CZ-CB 4.08Å; F113-L118 HydrophobicContact CZ-CD1 4.36Å; F113-L118 HydrophobicContact CZ-CD2 3.97Å; F113-L118 HydrophobicContact CZ-CG 4.37Å; F113-L118 WeakPolarHBondContact O-CB 3.42Å; F113-L118 PolarHBondContact O-N 3.03Å; F113-L140 HydrophobicContact CE1-CD1 4.28Å; F113-F149 HydrophobicContact CD1-CE2 4.47Å; F113-F149 HydrophobicContact CD1-CZ 4.16Å; F113-F149 HydrophobicContact CE1-CE2 4.32Å; F113-F149 AromaticContact CE1-CZ 3.64Å; F113-F149 HydrophobicContact CE1-CZ 3.64Å; F113-F149 HydrophobicContact CZ-CZ 4.16Å |
| 114 | C | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -80.3 | -28.1 | -172.7 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | L110 P119 C137 L141 | L110-C114 VanDerWaalsContact O-CB 3.27Å; L110-C114 WeakPolarHBondContact O-CB 3.4Å; L110-C114 PolarHBondContact O-N 3.44Å; L110-C114 PolarHBondContact O-SG 3.48Å; C114-P119 VanDerWaalsContact O-CD 3.3Å; C114-P119 WeakPolarHBondContact O-CD 3.38Å; C114-P119 WeakPolarHBondContact O-CG 3.42Å; C114-C137 HydrophobicContact CB-CB 4.28Å; C114-C137 WeakPolarHBondContact O-CB 3.33Å; C114-L141 HydrophobicContact CB-CD1 3.96Å |
| 115 | N | 97.2 | Very high | 96.2 | Very high | 98 Ų | 98 | 47.7 Ų | 47.7 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | I | π-helix | trans | -99.8 | -8.3 | -177.1 | -58.8 | -55.3 | 0 | 0 | 0 | 113.8 | D111 | D111-N115 WeakPolarHBondContact O-CB 3.47Å; D111-N115 PolarHBondContact O-N 2.97Å; D111-N115 PolarHBondContact O-ND2 3.26Å |
| 116 | K | 96.4 | Very high | 96.1 | Very high | 150 Ų | 150 | 47.6 Ų | 47.6 | 65% | 0.652 | 26% | 0.26 | S | S | * | . | I | π-helix | trans | -136.5 | -59.5 | -178 | -61.8 | -177.5 | 177.8 | -179.9 | 0 | 113 | Q112 A120 | Q112-K116 WeakPolarHBondContact O-CB 3.28Å; Q112-K116 PolarHBondContact O-N 3.4Å; K116-A120 VanDerWaalsContact O-CB 3.25Å; K116-A120 WeakPolarHBondContact O-CB 3.48Å; K116-A120 PolarHBondContact O-N 3.08Å |
| 117 | I | 97 | Very high | 96.1 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.087 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -72.7 | -56.7 | -166 | -60.7 | 175.8 | 0 | 0 | 0 | 110.9 | Y75 V79 Q112 F113 A120 I121 | Y75-I117 HydrophobicContact CD1-CD1 3.84Å; Y75-I117 HydrophobicContact CE1-CD1 3.43Å; Y75-I117 VanDerWaalsContact CE1-CD1 3.43Å; Y75-I117 HydrophobicContact CE1-CG2 4.35Å; V79-I117 HydrophobicContact CB-CG2 4.45Å; V79-I117 HydrophobicContact CG1-CG2 4.07Å; Q112-I117 HydrophobicContact CG-CD1 3.91Å; Q112-I117 HydrophobicContact CG-CG1 4.29Å; Q112-I117 PolarHBondContact O-N 3.35Å; F113-I117 PolarHBondContact O-N 3.14Å; I117-A120 PolarHBondContact O-N 3.4Å; I117-I121 HydrophobicContact CG2-CD1 3.81Å; I117-I121 WeakPolarHBondContact O-CD1 3.31Å; I117-I121 VanDerWaalsContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG1 3.46Å; I117-I121 PolarHBondContact O-N 2.92Å; I117-I121 VanDerWaalsContact O-N 3.12Å |
| 118 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.6 | -42 | -177.7 | -174.9 | 62.2 | 0 | 0 | 0 | 112.9 | F83 F113 A120 I121 M122 C137 L140 | F83-L118 HydrophobicContact CB-CD1 4.35Å; F83-L118 HydrophobicContact CD1-CD1 3.79Å; F83-L118 HydrophobicContact CD2-CD1 3.6Å; F83-L118 HydrophobicContact CE1-CD1 3.92Å; F83-L118 HydrophobicContact CE2-CD1 3.75Å; F83-L118 HydrophobicContact CG-CD1 3.61Å; F83-L118 HydrophobicContact CZ-CD1 3.92Å; F113-L118 HydrophobicContact CD1-CB 4.21Å; F113-L118 HydrophobicContact CD1-CD2 4.42Å; F113-L118 HydrophobicContact CE1-CB 3.87Å; F113-L118 HydrophobicContact CE1-CD2 3.53Å; F113-L118 HydrophobicContact CE1-CG 4.21Å; F113-L118 HydrophobicContact CZ-CB 4.08Å; F113-L118 HydrophobicContact CZ-CD1 4.36Å; F113-L118 HydrophobicContact CZ-CD2 3.97Å; F113-L118 HydrophobicContact CZ-CG 4.37Å; F113-L118 WeakPolarHBondContact O-CB 3.42Å; F113-L118 PolarHBondContact O-N 3.03Å; L118-A120 PolarHBondContact O-N 2.97Å; L118-I121 PolarHBondContact O-N 3.41Å; L118-M122 HydrophobicContact CD1-CE 4.08Å; L118-M122 HydrophobicContact CD2-CE 3.72Å; L118-M122 HydrophobicContact CG-CE 3.7Å; L118-M122 HydrophobicContact CG-SD 4.48Å; L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 2.95Å; L118-C137 VanDerWaalsContact CG-SG 3.58Å; L118-L140 HydrophobicContact CD2-CD1 3.69Å |
| 119 | P | 97.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 5% | 0.045 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.5 | -48.7 | 174 | -26.1 | 33.3 | 0 | 0 | 0 | 112.9 | C114 I121 M122 E123 A133 C137 | C114-P119 VanDerWaalsContact O-CD 3.3Å; C114-P119 WeakPolarHBondContact O-CD 3.38Å; C114-P119 WeakPolarHBondContact O-CG 3.42Å; P119-I121 VanDerWaalsContact C-N 3.26Å; P119-I121 PolarHBondContact O-N 3.09Å; P119-M122 WeakPolarHBondContact O-CB 3.42Å; P119-M122 PolarHBondContact O-N 2.9Å; P119-E123 WeakPolarHBondContact O-CG 3.45Å; P119-E123 PolarHBondContact O-N 3.39Å; P119-A133 HydrophobicContact CB-CB 4.12Å; P119-C137 VanDerWaalsContact CD-SG 3.6Å; P119-C137 HydrophobicContact CG-CB 4.05Å |
| 120 | A | 97.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 50.3 Ų | 50.3 | 37% | 0.372 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K116 I117 L118 T124 | K116-A120 VanDerWaalsContact O-CB 3.25Å; K116-A120 WeakPolarHBondContact O-CB 3.48Å; K116-A120 PolarHBondContact O-N 3.08Å; I117-A120 PolarHBondContact O-N 3.4Å; L118-A120 PolarHBondContact O-N 2.97Å; A120-T124 VanDerWaalsContact O-CB 3.24Å; A120-T124 WeakPolarHBondContact O-CB 3.25Å; A120-T124 PolarHBondContact O-N 2.96Å; A120-T124 PolarHBondContact O-OG1 3.01Å |
| 121 | I | 97.7 | Very high | 96.7 | Very high | 13 Ų | 13 | 57.4 Ų | 57.4 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 174.9 | -68.9 | 162.1 | 0 | 0 | 0 | 111.2 | V79 F83 V84 I117 L118 P119 T124 N125 | V79-I121 HydrophobicContact CB-CD1 4.25Å; V79-I121 HydrophobicContact CG1-CD1 3.62Å; F83-I121 HydrophobicContact CD1-CG2 3.78Å; V84-I121 HydrophobicContact CG2-CG2 4.35Å; I117-I121 HydrophobicContact CG2-CD1 3.81Å; I117-I121 WeakPolarHBondContact O-CD1 3.31Å; I117-I121 VanDerWaalsContact O-CG1 3.29Å; I117-I121 WeakPolarHBondContact O-CG1 3.46Å; I117-I121 PolarHBondContact O-N 2.92Å; I117-I121 VanDerWaalsContact O-N 3.12Å; L118-I121 PolarHBondContact O-N 3.41Å; P119-I121 VanDerWaalsContact C-N 3.26Å; P119-I121 PolarHBondContact O-N 3.09Å; I121-T124 PolarHBondContact O-N 2.94Å; I121-N125 VanDerWaalsContact O-CB 3.31Å; I121-N125 WeakPolarHBondContact O-CB 3.41Å; I121-N125 PolarHBondContact O-N 2.79Å; I121-N125 PolarHBondContact O-ND2 3.41Å; I121-N125 VanDerWaalsContact O-ND2 3.12Å |
| 122 | M | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 177.7 | -72.7 | 179.9 | -179.5 | 0 | 0 | 112 | F83 L118 P119 C126 G127 L128 A133 L136 V156 T160 | F83-M122 HydrophobicContact CE1-CE 4.15Å; F83-M122 HydrophobicContact CE1-CG 3.72Å; F83-M122 HydrophobicContact CE2-CE 4.01Å; F83-M122 HydrophobicContact CZ-CE 3.41Å; F83-M122 VanDerWaalsContact CZ-CE 3.41Å; F83-M122 HydrophobicContact CZ-CG 3.96Å; L118-M122 HydrophobicContact CD1-CE 4.08Å; L118-M122 HydrophobicContact CD2-CE 3.72Å; L118-M122 HydrophobicContact CG-CE 3.7Å; L118-M122 HydrophobicContact CG-SD 4.48Å; L118-M122 WeakPolarHBondContact O-CG 3.42Å; L118-M122 PolarHBondContact O-N 2.95Å; P119-M122 WeakPolarHBondContact O-CB 3.42Å; P119-M122 PolarHBondContact O-N 2.9Å; M122-C126 CarbonylContact O-C 3.42Å; M122-C126 VanDerWaalsContact O-CA 3.27Å; M122-C126 WeakPolarHBondContact O-CA 3.39Å; M122-C126 WeakPolarHBondContact O-CB 3.31Å; M122-C126 PolarHBondContact O-N 3.01Å; M122-G127 PolarHBondContact O-N 2.66Å; M122-G127 VanDerWaalsContact O-N 3.15Å; M122-L128 HydrophobicContact CB-CB 4.39Å; M122-L128 HydrophobicContact CB-CD2 4.25Å; M122-L128 PolarHBondContact O-N 2.8Å; M122-L128 HydrophobicContact SD-CD2 4.27Å; M122-A133 HydrophobicContact CB-CB 3.94Å; M122-A133 HydrophobicContact SD-CB 4.21Å; M122-L136 HydrophobicContact CE-CB 4.2Å; M122-L136 HydrophobicContact SD-CB 4.21Å; M122-L136 HydrophobicContact SD-CD1 4.36Å; M122-V156 HydrophobicContact CE-CG1 3.4Å; M122-T160 WeakPolarHBondContact CE-OG1 3.38Å; M122-T160 HydrophobicContact CG-CG2 4.32Å |
| 123 | E | 97.1 | Very high | 96.8 | Very high | 75 Ų | 75 | 50.4 Ų | 50.4 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -50.6 | 176.7 | -67.6 | 175.3 | -97.8 | 0 | 0 | 110.8 | P119 G127 L128 A133 | P119-E123 WeakPolarHBondContact O-CG 3.45Å; P119-E123 PolarHBondContact O-N 3.39Å; E123-G127 PolarHBondContact O-N 3.23Å; E123-L128 WeakPolarHBondContact CA-O 3.3Å; E123-A133 HydrophobicContact CG-CB 4.04Å |
| 124 | T | 95.9 | Very high | 96.8 | Very high | 114 Ų | 114 | 53.3 Ų | 53.3 | 70% | 0.699 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -73.7 | -42 | -172 | -53 | 0 | 0 | 0 | 0 | 112.8 | A120 I121 | A120-T124 VanDerWaalsContact O-CB 3.24Å; A120-T124 WeakPolarHBondContact O-CB 3.25Å; A120-T124 PolarHBondContact O-N 2.96Å; A120-T124 PolarHBondContact O-OG1 3.01Å; I121-T124 PolarHBondContact O-N 2.94Å |
| 125 | N | 95.2 | Very high | 96.8 | Very high | 76 Ų | 76 | 61 Ų | 61 | 41% | 0.406 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -105.6 | -21.5 | -170.7 | -57.4 | -80.5 | 0 | 0 | 0 | 113.3 | V84 I121 | V84-N125 HydrophobicContact CG2-CB 3.61Å; I121-N125 VanDerWaalsContact O-CB 3.31Å; I121-N125 WeakPolarHBondContact O-CB 3.41Å; I121-N125 PolarHBondContact O-N 2.79Å; I121-N125 PolarHBondContact O-ND2 3.41Å; I121-N125 VanDerWaalsContact O-ND2 3.12Å |
| 126 | C | 94.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -112 | -5.6 | -178.2 | -55.1 | 0 | 0 | 0 | 0 | 113.2 | M122 L128 T160 R164 | M122-C126 CarbonylContact O-C 3.42Å; M122-C126 VanDerWaalsContact O-CA 3.27Å; M122-C126 WeakPolarHBondContact O-CA 3.39Å; M122-C126 WeakPolarHBondContact O-CB 3.31Å; M122-C126 PolarHBondContact O-N 3.01Å; C126-L128 VanDerWaalsContact C-N 3.3Å; C126-L128 HydrophobicContact CB-CD1 3.74Å; C126-L128 WeakPolarHBondContact O-CD1 3.43Å; C126-L128 PolarHBondContact O-N 2.89Å; C126-T160 HydrophobicContact CB-CG2 3.73Å; C126-R164 WeakPolarHBondContact O-CB 3.37Å; C126-R164 WeakPolarHBondContact O-CG 3.38Å |
| 127 | G | 94.4 | Very high | 96.9 | Very high | 47 Ų | 47 | 49.9 Ų | 49.9 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | trans | 67.2 | 29.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | M122 E123 N167 | M122-G127 PolarHBondContact O-N 2.66Å; M122-G127 VanDerWaalsContact O-N 3.15Å; E123-G127 PolarHBondContact O-N 3.23Å; G127-N167 PolarHBondContact O-ND2 3.1Å | ||
| 128 | L | 97.4 | Very high | 96.9 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | trans | -82.6 | 152.5 | 173.5 | -87.6 | 64.2 | 0 | 0 | 0 | 110.5 | M122 E123 C126 Q132 A133 L136 T160 C163 R164 | M122-L128 HydrophobicContact CB-CB 4.39Å; M122-L128 HydrophobicContact CB-CD2 4.25Å; M122-L128 PolarHBondContact O-N 2.8Å; M122-L128 HydrophobicContact SD-CD2 4.27Å; E123-L128 WeakPolarHBondContact CA-O 3.3Å; C126-L128 VanDerWaalsContact C-N 3.3Å; C126-L128 HydrophobicContact CB-CD1 3.74Å; C126-L128 WeakPolarHBondContact O-CD1 3.43Å; C126-L128 PolarHBondContact O-N 2.89Å; L128-Q132 HydrophobicContact CB-CB 4.11Å; L128-Q132 HydrophobicContact CD2-CB 4.09Å; L128-Q132 HydrophobicContact CG-CB 4.07Å; L128-A133 HydrophobicContact CB-CB 4.49Å; L128-L136 HydrophobicContact CD2-CD1 3.63Å; L128-T160 HydrophobicContact CD1-CG2 4.07Å; L128-T160 HydrophobicContact CD2-CG2 4.09Å; L128-C163 HydrophobicContact CD1-CB 3.98Å; L128-C163 HydrophobicContact CD2-CB 4.06Å; L128-C163 HydrophobicContact CG-CB 3.91Å; L128-R164 HydrophobicContact CD1-CB 4.28Å | ||
| 129 | S | 96.3 | Very high | 96.8 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | trans | -74.5 | 159.5 | 166.1 | 69.6 | 0 | 0 | 0 | 0 | 111.3 | E131 Q132 A133 | S129-E131 PolarHBondContact O-N 2.86Å; S129-Q132 PolarHBondContact O-N 3.4Å; S129-Q132 VanDerWaalsContact O-N 3.09Å; S129-Q132 WeakPolarHBondContact OG-CG 3.47Å; S129-Q132 PolarHBondContact OG-N 2.89Å; S129-A133 WeakPolarHBondContact O-CB 3.43Å; S129-A133 PolarHBondContact O-N 3.46Å | ||
| 130 | E | 96.4 | Very high | 96.8 | Very high | 138 Ų | 138 | 55.3 Ų | 55.3 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -50.4 | -41.1 | 173.7 | -175 | -177.7 | 176.5 | 0 | 0 | 112.1 | S134 | E130-S134 WeakPolarHBondContact O-CB 3.47Å; E130-S134 PolarHBondContact O-N 2.93Å; E130-S134 PolarHBondContact O-OG 3.42Å |
| 131 | E | 96.6 | Very high | 96.7 | Very high | 157 Ų | 157 | 55.5 Ų | 55.5 | 73% | 0.734 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -66.3 | -46.2 | 178.5 | -172.8 | -174.5 | 169.9 | 0 | 0 | 112.1 | S129 K135 | S129-E131 PolarHBondContact O-N 2.86Å; E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.22Å; E131-K135 PolarHBondContact O-N 3.09Å |
| 132 | Q | 97.3 | Very high | 96.4 | Very high | 50 Ų | 50 | 61 Ų | 61 | 23% | 0.234 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -46.8 | 177.7 | -72.5 | 172 | -27.4 | 0 | 0 | 110.6 | L128 S129 K135 L136 N167 | L128-Q132 HydrophobicContact CB-CB 4.11Å; L128-Q132 HydrophobicContact CD2-CB 4.09Å; L128-Q132 HydrophobicContact CG-CB 4.07Å; S129-Q132 PolarHBondContact O-N 3.4Å; S129-Q132 VanDerWaalsContact O-N 3.09Å; S129-Q132 WeakPolarHBondContact OG-CG 3.47Å; S129-Q132 PolarHBondContact OG-N 2.89Å; Q132-K135 PolarHBondContact O-N 3.49Å; Q132-L136 WeakPolarHBondContact O-CG 3.25Å; Q132-L136 PolarHBondContact O-N 3.18Å; Q132-L136 VanDerWaalsContact O-N 3.09Å; Q132-N167 PolarHBondContact NE2-OD1 3.43Å; Q132-N167 PolarHBondContact OE1-ND2 3.32Å |
| 133 | A | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P119 M122 E123 L128 S129 K135 L136 C137 | P119-A133 HydrophobicContact CB-CB 4.12Å; M122-A133 HydrophobicContact CB-CB 3.94Å; M122-A133 HydrophobicContact SD-CB 4.21Å; E123-A133 HydrophobicContact CG-CB 4.04Å; L128-A133 HydrophobicContact CB-CB 4.49Å; S129-A133 WeakPolarHBondContact O-CB 3.43Å; S129-A133 PolarHBondContact O-N 3.46Å; A133-K135 PolarHBondContact O-N 3.32Å; A133-L136 PolarHBondContact O-N 2.94Å; A133-C137 WeakPolarHBondContact O-CB 3.2Å; A133-C137 PolarHBondContact O-N 3.12Å; A133-C137 PolarHBondContact O-SG 3.44Å |
| 134 | S | 97.1 | Very high | 95.8 | Very high | 60 Ų | 60 | 64 Ų | 64 | 42% | 0.42 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 112.3 | E130 L136 C137 G138 | E130-S134 WeakPolarHBondContact O-CB 3.47Å; E130-S134 PolarHBondContact O-N 2.93Å; E130-S134 PolarHBondContact O-OG 3.42Å; S134-L136 PolarHBondContact O-N 3.45Å; S134-C137 PolarHBondContact O-N 3.26Å; S134-G138 PolarHBondContact O-N 3.44Å |
| 135 | K | 97.6 | Very high | 95.7 | Very high | 165 Ų | 165 | 65 Ų | 65 | 72% | 0.717 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 178.4 | -176.4 | 178.3 | -178.8 | 178.6 | 0 | 112.2 | E131 Q132 A133 | E131-K135 VanDerWaalsContact O-CB 3.29Å; E131-K135 WeakPolarHBondContact O-CB 3.22Å; E131-K135 PolarHBondContact O-N 3.09Å; Q132-K135 PolarHBondContact O-N 3.49Å; A133-K135 PolarHBondContact O-N 3.32Å |
| 136 | L | 97.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.073 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 178.1 | -71.2 | 177.7 | 0 | 0 | 0 | 111.4 | M122 L128 Q132 A133 S134 G138 R139 V156 D159 T160 | M122-L136 HydrophobicContact CE-CB 4.2Å; M122-L136 HydrophobicContact SD-CB 4.21Å; M122-L136 HydrophobicContact SD-CD1 4.36Å; L128-L136 HydrophobicContact CD2-CD1 3.63Å; Q132-L136 WeakPolarHBondContact O-CG 3.25Å; Q132-L136 PolarHBondContact O-N 3.18Å; Q132-L136 VanDerWaalsContact O-N 3.09Å; A133-L136 PolarHBondContact O-N 2.94Å; S134-L136 PolarHBondContact O-N 3.45Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.21Å; L136-R139 WeakPolarHBondContact O-CB 3.37Å; L136-R139 PolarHBondContact O-N 3.45Å; L136-V156 HydrophobicContact CB-CG1 4.21Å; L136-V156 WeakPolarHBondContact O-CG2 3.41Å; L136-D159 HydrophobicContact CD2-CB 3.68Å; L136-T160 WeakPolarHBondContact CD1-OG1 3.22Å |
| 137 | C | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -32.5 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 112.7 | C114 L118 P119 A133 S134 R139 L140 | C114-C137 HydrophobicContact CB-CB 4.28Å; C114-C137 WeakPolarHBondContact O-CB 3.33Å; L118-C137 VanDerWaalsContact CG-SG 3.58Å; P119-C137 VanDerWaalsContact CD-SG 3.6Å; P119-C137 HydrophobicContact CG-CB 4.05Å; A133-C137 WeakPolarHBondContact O-CB 3.2Å; A133-C137 PolarHBondContact O-N 3.12Å; A133-C137 PolarHBondContact O-SG 3.44Å; S134-C137 PolarHBondContact O-N 3.26Å; C137-R139 PolarHBondContact O-N 2.97Å; C137-R139 VanDerWaalsContact O-N 3.1Å; C137-L140 WeakPolarHBondContact O-CB 3.43Å; C137-L140 PolarHBondContact O-N 2.91Å |
| 138 | G | 96.7 | Very high | 95.4 | Very high | 38 Ų | 38 | 68.3 Ų | 68.3 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.6 | -23.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S134 L136 L140 | S134-G138 PolarHBondContact O-N 3.44Å; L136-G138 VanDerWaalsContact C-N 3.31Å; L136-G138 PolarHBondContact O-N 3.21Å; G138-L140 VanDerWaalsContact C-N 3.26Å; G138-L140 PolarHBondContact O-N 2.78Å |
| 139 | R | 96.8 | Very high | 95.4 | Very high | 99 Ų | 99 | 67.9 Ų | 67.9 | 37% | 0.374 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -26.9 | 174.6 | -64.7 | 161.5 | 61.4 | -179.2 | 5.8 | 112.8 | L136 C137 T152 V156 D159 | L136-R139 WeakPolarHBondContact O-CB 3.37Å; L136-R139 PolarHBondContact O-N 3.45Å; C137-R139 PolarHBondContact O-N 2.97Å; C137-R139 VanDerWaalsContact O-N 3.1Å; R139-T152 HydrophobicContact CB-CG2 3.97Å; R139-V156 HydrophobicContact CB-CG2 4.31Å; R139-D159 IonicContact CZ-OD2 3.51Å; R139-D159 IonicContact NH1-OD2 2.66Å; R139-D159 PolarHBondContact NH1-OD2 2.88Å; R139-D159 IonicContact NH2-OD2 3.51Å |
| 140 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -16.7 | -176.6 | -64.5 | 168.1 | 0 | 0 | 0 | 113 | F113 L118 C137 G138 N142 C143 F149 T152 L153 V156 | F113-L140 HydrophobicContact CE1-CD1 4.28Å; L118-L140 HydrophobicContact CD2-CD1 3.69Å; C137-L140 WeakPolarHBondContact O-CB 3.43Å; C137-L140 PolarHBondContact O-N 2.91Å; G138-L140 VanDerWaalsContact C-N 3.26Å; G138-L140 PolarHBondContact O-N 2.78Å; L140-N142 PolarHBondContact O-N 3.36Å; L140-N142 VanDerWaalsContact O-N 3.12Å; L140-C143 WeakPolarHBondContact O-CB 3.42Å; L140-C143 PolarHBondContact O-N 2.84Å; L140-F149 HydrophobicContact CB-CD2 4.37Å; L140-F149 HydrophobicContact CB-CE2 3.87Å; L140-F149 HydrophobicContact CD1-CE2 4.26Å; L140-F149 HydrophobicContact CD1-CZ 4.14Å; L140-F149 HydrophobicContact CD2-CD2 4.05Å; L140-F149 HydrophobicContact CD2-CE1 4.49Å; L140-F149 HydrophobicContact CD2-CE2 3.89Å; L140-F149 HydrophobicContact CD2-CG 4.41Å; L140-F149 HydrophobicContact CD2-CZ 4.14Å; L140-F149 HydrophobicContact CG-CE2 4.22Å; L140-T152 HydrophobicContact CD2-CG2 3.64Å; L140-T152 HydrophobicContact CG-CG2 4.35Å; L140-L153 HydrophobicContact CD1-CD1 4.2Å; L140-L153 HydrophobicContact CD2-CB 4.15Å; L140-V156 HydrophobicContact CD1-CG1 4.48Å; L140-V156 HydrophobicContact CD1-CG2 4.3Å; L140-V156 HydrophobicContact CD2-CG2 4.44Å; L140-V156 HydrophobicContact CG-CG2 4.15Å |
| 141 | L | 94.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 64.6 Ų | 64.6 | 26% | 0.257 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31.1 | -169.3 | -166.4 | 67.7 | 0 | 0 | 0 | 113.5 | C114 | C114-L141 HydrophobicContact CB-CD1 3.96Š|
| 142 | N | 91.5 | Very high | 95.4 | Very high | 130 Ų | 130 | 58.7 Ų | 58.7 | 70% | 0.695 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 5.4 | 179.4 | -60.7 | -51.2 | 0 | 0 | 0 | 113.4 | L140 H144 | L140-N142 PolarHBondContact O-N 3.36Å; L140-N142 VanDerWaalsContact O-N 3.12Å; N142-H144 PolarHBondContact O-CD2 3.32Å; N142-H144 PolarHBondContact O-N 3.11Å; N142-H144 VanDerWaalsContact O-N 3.16Å |
| 143 | C | 94.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | trans | -89.1 | 68.7 | -178.9 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | L110 L140 E145 T148 F149 T152 | L110-C143 WeakPolarHBondContact CD1-O 3.29Å; L140-C143 WeakPolarHBondContact O-CB 3.42Å; L140-C143 PolarHBondContact O-N 2.84Å; C143-E145 VanDerWaalsContact C-N 3.29Å; C143-E145 PolarHBondContact O-N 3.19Å; C143-T148 HydrophobicContact CB-CG2 4.28Å; C143-F149 HydrophobicContact CB-CB 3.89Å; C143-F149 HydrophobicContact CB-CD2 3.9Å; C143-F149 HydrophobicContact CB-CG 4.32Å; C143-T152 PolarHBondContact SG-OG1 3.42Å; C143-T152 VanDerWaalsContact SG-OG1 3.37Å | ||
| 144 | H | 90.2 | Very high | 95.4 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 60% | 0.597 | 31% | 0.314 | S | S | * | . | trans | -70.1 | -22.5 | -175.8 | -61.5 | -68 | 0 | 0 | 0 | 114.6 | N142 | N142-H144 PolarHBondContact O-CD2 3.32Å; N142-H144 PolarHBondContact O-N 3.11Å; N142-H144 VanDerWaalsContact O-N 3.16Å | ||
| 145 | E | 92.3 | Very high | 95.4 | Very high | 134 Ų | 134 | 57.7 Ų | 57.7 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -98.3 | 137.3 | 179.8 | -59.1 | -170.5 | 164.2 | 0 | 0 | 111.1 | C143 T148 F149 | C143-E145 VanDerWaalsContact C-N 3.29Å; C143-E145 PolarHBondContact O-N 3.19Å; E145-T148 PolarHBondContact O-N 3.09Å; E145-T148 VanDerWaalsContact O-N 3.15Å; E145-F149 WeakPolarHBondContact O-CB 3.29Å; E145-F149 PolarHBondContact O-N 3.36Å |
| 146 | V | 91.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -49.2 | -49.1 | -179.8 | 168.5 | 0 | 0 | 0 | 0 | 112.7 | A103 V104 T148 F149 S150 | A103-V146 HydrophobicContact CB-CB 4.26Å; A103-V146 HydrophobicContact CB-CG1 3.83Å; A103-V146 HydrophobicContact CB-CG2 4.22Å; V104-V146 HydrophobicContact CG2-CG2 4.08Å; V146-T148 PolarHBondContact O-N 3.17Å; V146-F149 PolarHBondContact O-N 3.42Å; V146-S150 WeakPolarHBondContact O-CB 3.3Å; V146-S150 PolarHBondContact O-N 3.44Å; V146-S150 PolarHBondContact O-OG 3.46Å |
| 147 | P | 93.6 | Very high | 95.3 | Very high | 82 Ų | 82 | 49.6 Ų | 49.6 | 53% | 0.532 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | -178.3 | -22.7 | 34.8 | 0 | 0 | 0 | 112.9 | S150 I151 | P147-S150 PolarHBondContact O-N 3.46Å; P147-I151 WeakPolarHBondContact O-CD1 3.4Å; P147-I151 VanDerWaalsContact O-CG1 3.27Å; P147-I151 WeakPolarHBondContact O-CG1 3.34Å; P147-I151 PolarHBondContact O-N 2.83Å; P147-I151 VanDerWaalsContact O-N 3.11Å |
| 148 | T | 94.5 | Very high | 95.3 | Very high | 67 Ų | 67 | 54.5 Ų | 54.5 | 41% | 0.411 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | C143 E145 V146 T152 | C143-T148 HydrophobicContact CB-CG2 4.28Å; E145-T148 PolarHBondContact O-N 3.09Å; E145-T148 VanDerWaalsContact O-N 3.15Å; V146-T148 PolarHBondContact O-N 3.17Å; T148-T152 WeakPolarHBondContact O-CB 3.4Å; T148-T152 PolarHBondContact O-N 2.97Å; T148-T152 VanDerWaalsContact O-N 3.07Å; T148-T152 PolarHBondContact O-OG1 3.29Å |
| 149 | F | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.1 | -50.7 | 176.1 | -172.7 | -81.7 | 0 | 0 | 0 | 111.5 | A103 A106 L110 F113 L140 C143 E145 V146 I151 T152 L153 | A103-F149 VanDerWaalsContact CA-CD1 3.5Å; A103-F149 HydrophobicContact CB-CB 4.2Å; A103-F149 HydrophobicContact CB-CD1 3.47Å; A103-F149 VanDerWaalsContact CB-CD1 3.47Å; A103-F149 HydrophobicContact CB-CE1 4.15Å; A103-F149 HydrophobicContact CB-CG 4.13Å; A106-F149 HydrophobicContact CB-CE1 4.04Å; A106-F149 HydrophobicContact CB-CE2 3.87Å; A106-F149 HydrophobicContact CB-CZ 3.44Å; A106-F149 VanDerWaalsContact CB-CZ 3.44Å; L110-F149 HydrophobicContact CD2-CD2 3.69Å; L110-F149 HydrophobicContact CD2-CE2 3.4Å; L110-F149 VanDerWaalsContact CD2-CE2 3.4Å; L110-F149 HydrophobicContact CD2-CZ 4.46Å; F113-F149 HydrophobicContact CD1-CE2 4.47Å; F113-F149 HydrophobicContact CD1-CZ 4.16Å; F113-F149 HydrophobicContact CE1-CE2 4.32Å; F113-F149 AromaticContact CE1-CZ 3.64Å; F113-F149 HydrophobicContact CE1-CZ 3.64Å; F113-F149 HydrophobicContact CZ-CZ 4.16Å; L140-F149 HydrophobicContact CB-CD2 4.37Å; L140-F149 HydrophobicContact CB-CE2 3.87Å; L140-F149 HydrophobicContact CD1-CE2 4.26Å; L140-F149 HydrophobicContact CD1-CZ 4.14Å; L140-F149 HydrophobicContact CD2-CD2 4.05Å; L140-F149 HydrophobicContact CD2-CE1 4.49Å; L140-F149 HydrophobicContact CD2-CE2 3.89Å; L140-F149 HydrophobicContact CD2-CG 4.41Å; L140-F149 HydrophobicContact CD2-CZ 4.14Å; L140-F149 HydrophobicContact CG-CE2 4.22Å; C143-F149 HydrophobicContact CB-CB 3.89Å; C143-F149 HydrophobicContact CB-CD2 3.9Å; C143-F149 HydrophobicContact CB-CG 4.32Å; E145-F149 WeakPolarHBondContact O-CB 3.29Å; E145-F149 PolarHBondContact O-N 3.36Å; V146-F149 PolarHBondContact O-N 3.42Å; F149-I151 VanDerWaalsContact C-N 3.31Å; F149-I151 PolarHBondContact O-N 3.16Å; F149-T152 PolarHBondContact O-N 2.98Å; F149-L153 HydrophobicContact CD1-CB 4.29Å; F149-L153 HydrophobicContact CD1-CD2 4.46Å; F149-L153 HydrophobicContact CE1-CB 4.2Å; F149-L153 HydrophobicContact CE1-CD2 3.9Å; F149-L153 HydrophobicContact CE1-CG 4.46Å; F149-L153 VanDerWaalsContact O-CB 3.23Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 PolarHBondContact O-N 3.11Å |
| 150 | S | 96.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.028 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.2 | -42.1 | 179.9 | -66.7 | 0 | 0 | 0 | 0 | 112.1 | D100 V146 P147 L153 K154 | D100-S150 WeakPolarHBondContact CA-OG 3.43Å; D100-S150 VanDerWaalsContact OD1-CB 3.26Å; D100-S150 WeakPolarHBondContact OD1-CB 3.33Å; D100-S150 PolarHBondContact OD1-OG 3.19Å; V146-S150 WeakPolarHBondContact O-CB 3.3Å; V146-S150 PolarHBondContact O-N 3.44Å; V146-S150 PolarHBondContact O-OG 3.46Å; P147-S150 PolarHBondContact O-N 3.46Å; S150-L153 PolarHBondContact O-N 3.47Å; S150-K154 WeakPolarHBondContact O-CG 3.45Å; S150-K154 PolarHBondContact O-N 2.83Å |
| 151 | I | 95.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 51.5 Ų | 51.5 | 62% | 0.615 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.6 | -49.3 | 176.7 | -68.2 | 166.4 | 0 | 0 | 0 | 110.9 | P147 F149 L153 K154 | P147-I151 WeakPolarHBondContact O-CD1 3.4Å; P147-I151 VanDerWaalsContact O-CG1 3.27Å; P147-I151 WeakPolarHBondContact O-CG1 3.34Å; P147-I151 PolarHBondContact O-N 2.83Å; P147-I151 VanDerWaalsContact O-N 3.11Å; F149-I151 VanDerWaalsContact C-N 3.31Å; F149-I151 PolarHBondContact O-N 3.16Å; I151-L153 VanDerWaalsContact C-N 3.31Å; I151-L153 PolarHBondContact O-N 3.17Å; I151-K154 PolarHBondContact O-N 3.21Å |
| 152 | T | 97.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 54.8 Ų | 54.8 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.3 | -59 | 0 | 0 | 0 | 0 | 111.6 | R139 L140 C143 T148 F149 K154 G155 V156 | R139-T152 HydrophobicContact CB-CG2 3.97Å; L140-T152 HydrophobicContact CD2-CG2 3.64Å; L140-T152 HydrophobicContact CG-CG2 4.35Å; C143-T152 PolarHBondContact SG-OG1 3.42Å; C143-T152 VanDerWaalsContact SG-OG1 3.37Å; T148-T152 WeakPolarHBondContact O-CB 3.4Å; T148-T152 PolarHBondContact O-N 2.97Å; T148-T152 VanDerWaalsContact O-N 3.07Å; T148-T152 PolarHBondContact O-OG1 3.29Å; F149-T152 PolarHBondContact O-N 2.98Å; T152-K154 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.31Å; T152-G155 PolarHBondContact O-N 3.31Å; T152-G155 VanDerWaalsContact O-N 3.14Å; T152-V156 HydrophobicContact CG2-CG2 4.48Å; T152-V156 PolarHBondContact O-N 3.38Å |
| 153 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.2 | -40.3 | 179.6 | 178.2 | 62.5 | 0 | 0 | 0 | 111.7 | F83 L86 C99 L102 L140 F149 S150 I151 G155 V156 V157 | F83-L153 HydrophobicContact CD2-CD1 4.31Å; F83-L153 HydrophobicContact CE2-CD1 4.21Å; L86-L153 HydrophobicContact CD1-CD2 4.31Å; C99-L153 HydrophobicContact CB-CD2 4.22Å; L102-L153 HydrophobicContact CB-CD2 3.85Å; L102-L153 HydrophobicContact CD1-CD2 3.83Å; L140-L153 HydrophobicContact CD1-CD1 4.2Å; L140-L153 HydrophobicContact CD2-CB 4.15Å; F149-L153 HydrophobicContact CD1-CB 4.29Å; F149-L153 HydrophobicContact CD1-CD2 4.46Å; F149-L153 HydrophobicContact CE1-CB 4.2Å; F149-L153 HydrophobicContact CE1-CD2 3.9Å; F149-L153 HydrophobicContact CE1-CG 4.46Å; F149-L153 VanDerWaalsContact O-CB 3.23Å; F149-L153 WeakPolarHBondContact O-CB 3.21Å; F149-L153 PolarHBondContact O-N 3.11Å; S150-L153 PolarHBondContact O-N 3.47Å; I151-L153 VanDerWaalsContact C-N 3.31Å; I151-L153 PolarHBondContact O-N 3.17Å; L153-G155 VanDerWaalsContact C-N 3.28Å; L153-G155 PolarHBondContact O-N 3.15Å; L153-V156 CarbonylContact O-C 3.36Å; L153-V156 WeakPolarHBondContact O-CB 3.46Å; L153-V156 PolarHBondContact O-N 2.86Å; L153-V156 VanDerWaalsContact O-N 3.1Å; L153-V157 HydrophobicContact CD1-CG2 4.15Å; L153-V157 HydrophobicContact CG-CG2 4.27Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.9Å |
| 154 | K | 96.6 | Very high | 95.7 | Very high | 66 Ų | 66 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.6 | -42.3 | 174.7 | -68.5 | 171.1 | -175.7 | 178.1 | 0 | 112.2 | L95 D96 S150 I151 T152 V157 H158 | L95-K154 HydrophobicContact CD2-CD 3.82Å; L95-K154 HydrophobicContact CD2-CG 3.91Å; L95-K154 HydrophobicContact CG-CG 4.43Å; D96-K154 WeakPolarHBondContact OD1-CE 3.19Å; D96-K154 IonicContact OD1-NZ 2.55Å; D96-K154 PolarHBondContact OD1-NZ 2.99Å; S150-K154 WeakPolarHBondContact O-CG 3.45Å; S150-K154 PolarHBondContact O-N 2.83Å; I151-K154 PolarHBondContact O-N 3.21Å; T152-K154 VanDerWaalsContact C-N 3.34Å; T152-K154 PolarHBondContact O-N 3.31Å; K154-V157 PolarHBondContact O-N 3.38Å; K154-H158 WeakPolarHBondContact O-CB 3.47Å; K154-H158 PolarHBondContact O-N 3.47Å |
| 155 | G | 96.6 | Very high | 96 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 24% | 0.237 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T152 L153 H158 D159 | T152-G155 PolarHBondContact O-N 3.31Å; T152-G155 VanDerWaalsContact O-N 3.14Å; L153-G155 VanDerWaalsContact C-N 3.28Å; L153-G155 PolarHBondContact O-N 3.15Å; G155-H158 PolarHBondContact O-N 3.3Å; G155-D159 WeakPolarHBondContact O-CB 3.27Å; G155-D159 PolarHBondContact O-N 3.03Å |
| 156 | V | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.1 | 167.3 | 0 | 0 | 0 | 0 | 111.4 | F83 M122 L136 R139 L140 T152 L153 H158 D159 T160 | F83-V156 HydrophobicContact CE2-CG1 4.49Å; M122-V156 HydrophobicContact CE-CG1 3.4Å; L136-V156 HydrophobicContact CB-CG1 4.21Å; L136-V156 WeakPolarHBondContact O-CG2 3.41Å; R139-V156 HydrophobicContact CB-CG2 4.31Å; L140-V156 HydrophobicContact CD1-CG1 4.48Å; L140-V156 HydrophobicContact CD1-CG2 4.3Å; L140-V156 HydrophobicContact CD2-CG2 4.44Å; L140-V156 HydrophobicContact CG-CG2 4.15Å; T152-V156 HydrophobicContact CG2-CG2 4.48Å; T152-V156 PolarHBondContact O-N 3.38Å; L153-V156 CarbonylContact O-C 3.36Å; L153-V156 WeakPolarHBondContact O-CB 3.46Å; L153-V156 PolarHBondContact O-N 2.86Å; L153-V156 VanDerWaalsContact O-N 3.1Å; V156-H158 PolarHBondContact O-N 3.09Å; V156-D159 PolarHBondContact O-N 3.05Å; V156-T160 WeakPolarHBondContact O-CB 3.31Å; V156-T160 PolarHBondContact O-N 3.49Å; V156-T160 PolarHBondContact O-OG1 3.12Å |
| 157 | V | 97.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 6% | 0.061 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.4 | -48 | 177.4 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | F83 L86 V87 L153 K154 D159 T160 G161 | F83-V157 HydrophobicContact CD2-CG2 4.18Å; F83-V157 HydrophobicContact CE2-CG2 3.76Å; L86-V157 HydrophobicContact CB-CB 4.5Å; L86-V157 HydrophobicContact CB-CG1 3.79Å; L86-V157 HydrophobicContact CB-CG2 3.83Å; L86-V157 HydrophobicContact CD1-CG2 3.89Å; L86-V157 HydrophobicContact CG-CG2 4.48Å; L86-V157 WeakPolarHBondContact O-CG1 3.43Å; V87-V157 HydrophobicContact CG2-CG1 4.11Å; L153-V157 HydrophobicContact CD1-CG2 4.15Å; L153-V157 HydrophobicContact CG-CG2 4.27Å; L153-V157 VanDerWaalsContact O-CG2 3.31Å; L153-V157 WeakPolarHBondContact O-CG2 3.24Å; L153-V157 PolarHBondContact O-N 2.9Å; K154-V157 PolarHBondContact O-N 3.38Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-D159 PolarHBondContact O-N 2.97Å; V157-T160 PolarHBondContact O-N 2.75Å; V157-G161 PolarHBondContact O-N 2.91Å |
| 158 | H | 96.2 | Very high | 96.2 | Very high | 103 Ų | 103 | 47.2 Ų | 47.2 | 48% | 0.477 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -57.7 | -49 | 177.2 | 175.3 | -86 | 0 | 0 | 0 | 111.3 | K154 G155 V156 G161 F162 | K154-H158 WeakPolarHBondContact O-CB 3.47Å; K154-H158 PolarHBondContact O-N 3.47Å; G155-H158 PolarHBondContact O-N 3.3Å; V156-H158 PolarHBondContact O-N 3.09Å; H158-G161 PolarHBondContact O-N 3.2Å; H158-F162 PolarHBondContact O-N 3.2Å |
| 159 | D | 97.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.4 | -31.8 | -177 | -63.2 | -16.8 | 0 | 0 | 0 | 112 | L136 R139 G155 V156 V157 F162 C163 | L136-D159 HydrophobicContact CD2-CB 3.68Å; R139-D159 IonicContact CZ-OD2 3.51Å; R139-D159 IonicContact NH1-OD2 2.66Å; R139-D159 PolarHBondContact NH1-OD2 2.88Å; R139-D159 IonicContact NH2-OD2 3.51Å; G155-D159 WeakPolarHBondContact O-CB 3.27Å; G155-D159 PolarHBondContact O-N 3.03Å; V156-D159 PolarHBondContact O-N 3.05Å; V157-D159 VanDerWaalsContact C-N 3.34Å; V157-D159 PolarHBondContact O-N 2.97Å; D159-F162 PolarHBondContact O-N 2.75Å; D159-C163 WeakPolarHBondContact O-CB 3.34Å; D159-C163 PolarHBondContact O-N 3.38Å; D159-C163 PolarHBondContact O-SG 2.86Å; D159-C163 VanDerWaalsContact O-SG 3.38Å |
| 160 | T | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 169.1 | -62.3 | 0 | 0 | 0 | 0 | 110.8 | F83 V87 M122 C126 L128 L136 V156 V157 F162 C163 R164 | F83-T160 HydrophobicContact CE1-CG2 4.18Å; F83-T160 HydrophobicContact CZ-CG2 4.08Å; V87-T160 HydrophobicContact CG1-CG2 4.11Å; V87-T160 HydrophobicContact CG2-CG2 3.9Å; M122-T160 WeakPolarHBondContact CE-OG1 3.38Å; M122-T160 HydrophobicContact CG-CG2 4.32Å; C126-T160 HydrophobicContact CB-CG2 3.73Å; L128-T160 HydrophobicContact CD1-CG2 4.07Å; L128-T160 HydrophobicContact CD2-CG2 4.09Å; L136-T160 WeakPolarHBondContact CD1-OG1 3.22Å; V156-T160 WeakPolarHBondContact O-CB 3.31Å; V156-T160 PolarHBondContact O-N 3.49Å; V156-T160 PolarHBondContact O-OG1 3.12Å; V157-T160 PolarHBondContact O-N 2.75Å; T160-F162 VanDerWaalsContact C-N 3.28Å; T160-F162 PolarHBondContact O-N 3.38Å; T160-C163 PolarHBondContact O-N 3.34Å; T160-R164 WeakPolarHBondContact O-CB 3.43Å; T160-R164 PolarHBondContact O-N 3.32Å |
| 161 | G | 96.1 | Very high | 94.4 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.3 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V157 H158 L165 | V157-G161 PolarHBondContact O-N 2.91Å; H158-G161 PolarHBondContact O-N 3.2Å; G161-L165 PolarHBondContact O-N 3.42Å; G161-L165 VanDerWaalsContact O-N 3.12Å |
| 162 | F | 96 | Very high | 92.3 | Very high | 119 Ų | 119 | 60.5 Ų | 60.5 | 52% | 0.522 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67 | -47.7 | 175.1 | -178.9 | -98.9 | 0 | 0 | 0 | 112.7 | H158 D159 T160 R164 L165 M166 | H158-F162 PolarHBondContact O-N 3.2Å; D159-F162 PolarHBondContact O-N 2.75Å; T160-F162 VanDerWaalsContact C-N 3.28Å; T160-F162 PolarHBondContact O-N 3.38Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3.12Å; F162-L165 PolarHBondContact O-N 2.9Å; F162-M166 HydrophobicContact CD1-CG 4.09Å; F162-M166 HydrophobicContact CE1-CG 3.61Å; F162-M166 HydrophobicContact CE1-SD 4.48Å; F162-M166 HydrophobicContact CE2-CG 4.13Å; F162-M166 HydrophobicContact CE2-SD 4.28Å; F162-M166 HydrophobicContact CZ-CG 3.63Å; F162-M166 HydrophobicContact CZ-SD 3.92Å; F162-M166 WeakPolarHBondContact O-CG 3.33Å; F162-M166 PolarHBondContact O-N 2.86Å |
| 163 | C | 96.6 | Very high | 92.1 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 17% | 0.169 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 176 | -75.5 | 0 | 0 | 0 | 0 | 111.7 | L128 D159 T160 L165 M166 N167 | L128-C163 HydrophobicContact CD1-CB 3.98Å; L128-C163 HydrophobicContact CD2-CB 4.06Å; L128-C163 HydrophobicContact CG-CB 3.91Å; D159-C163 WeakPolarHBondContact O-CB 3.34Å; D159-C163 PolarHBondContact O-N 3.38Å; D159-C163 PolarHBondContact O-SG 2.86Å; D159-C163 VanDerWaalsContact O-SG 3.38Å; T160-C163 PolarHBondContact O-N 3.34Å; C163-L165 VanDerWaalsContact C-N 3.33Å; C163-L165 PolarHBondContact O-N 2.96Å; C163-M166 PolarHBondContact O-N 3.22Å; C163-N167 WeakPolarHBondContact O-CB 3.41Å; C163-N167 PolarHBondContact O-N 3.43Å; C163-N167 PolarHBondContact O-OD1 2.86Å |
| 164 | R | 96 | Very high | 91.8 | Very high | 76 Ų | 76 | 65.2 Ų | 65.2 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 175 | 177.3 | 172.7 | 69.9 | 177 | 1.7 | 111.7 | V87 N88 C126 L128 T160 F162 S168 | V87-R164 PolarHBondContact O-NH2 3.34Å; V87-R164 VanDerWaalsContact O-NH2 3.16Å; N88-R164 PolarHBondContact OD1-NH1 3.41Å; N88-R164 PolarHBondContact OD1-NH2 3.31Å; C126-R164 WeakPolarHBondContact O-CB 3.37Å; C126-R164 WeakPolarHBondContact O-CG 3.38Å; L128-R164 HydrophobicContact CD1-CB 4.28Å; T160-R164 WeakPolarHBondContact O-CB 3.43Å; T160-R164 PolarHBondContact O-N 3.32Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3.12Å; R164-S168 PolarHBondContact O-N 3.06Å |
| 165 | L | 94.8 | Very high | 91.5 | Very high | 97 Ų | 97 | 65.1 Ų | 65.1 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 177.3 | 179.4 | 62.5 | 0 | 0 | 0 | 111.2 | G161 F162 C163 N167 S168 L169 | G161-L165 PolarHBondContact O-N 3.42Å; G161-L165 VanDerWaalsContact O-N 3.12Å; F162-L165 PolarHBondContact O-N 2.9Å; C163-L165 VanDerWaalsContact C-N 3.33Å; C163-L165 PolarHBondContact O-N 2.96Å; L165-N167 PolarHBondContact O-N 2.81Å; L165-S168 PolarHBondContact O-N 3.26Å; L165-S168 PolarHBondContact O-OG 3.13Å; L165-L169 HydrophobicContact CG-CD1 4.4Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.43Å; L165-L169 VanDerWaalsContact O-N 3.13Å |
| 166 | M | 95.3 | Very high | 91.2 | Very high | 80 Ų | 80 | 67.6 Ų | 67.6 | 39% | 0.394 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 179.7 | -71.8 | -55.2 | -60.4 | 0 | 0 | 112.4 | F162 C163 S168 L169 T170 | F162-M166 HydrophobicContact CD1-CG 4.09Å; F162-M166 HydrophobicContact CE1-CG 3.61Å; F162-M166 HydrophobicContact CE1-SD 4.48Å; F162-M166 HydrophobicContact CE2-CG 4.13Å; F162-M166 HydrophobicContact CE2-SD 4.28Å; F162-M166 HydrophobicContact CZ-CG 3.63Å; F162-M166 HydrophobicContact CZ-SD 3.92Å; F162-M166 WeakPolarHBondContact O-CG 3.33Å; F162-M166 PolarHBondContact O-N 2.86Å; C163-M166 PolarHBondContact O-N 3.22Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 2.66Å; M166-L169 PolarHBondContact O-N 3.43Å; M166-L169 HydrophobicContact SD-CD1 4.49Å; M166-T170 PolarHBondContact O-N 3.14Å; M166-T170 VanDerWaalsContact O-N 3.1Å; M166-T170 PolarHBondContact O-OG1 3.29Å |
| 167 | N | 94.6 | Very high | 90.8 | Very high | 34 Ų | 34 | 71.8 Ų | 71.8 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 177.6 | -69.4 | -1.1 | 0 | 0 | 0 | 110.7 | G127 Q132 C163 L165 L169 T170 T171 | G127-N167 PolarHBondContact O-ND2 3.1Å; Q132-N167 PolarHBondContact NE2-OD1 3.43Å; Q132-N167 PolarHBondContact OE1-ND2 3.32Å; C163-N167 WeakPolarHBondContact O-CB 3.41Å; C163-N167 PolarHBondContact O-N 3.43Å; C163-N167 PolarHBondContact O-OD1 2.86Å; L165-N167 PolarHBondContact O-N 2.81Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.08Å; N167-T170 WeakPolarHBondContact CA-OG1 3.44Å; N167-T170 PolarHBondContact O-N 2.82Å; N167-T170 VanDerWaalsContact O-N 3.14Å; N167-T170 PolarHBondContact O-OG1 3Å; N167-T171 PolarHBondContact O-N 3.1Å; N167-T171 VanDerWaalsContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.19Å |
| 168 | S | 91.7 | Very high | 90.4 | Very high | 61 Ų | 61 | 75.9 Ų | 75.9 | 43% | 0.427 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.2 | -32.9 | 177.9 | 76.3 | 0 | 0 | 0 | 0 | 113.5 | R164 L165 M166 T171 | R164-S168 PolarHBondContact O-N 3.06Å; L165-S168 PolarHBondContact O-N 3.26Å; L165-S168 PolarHBondContact O-OG 3.13Å; M166-S168 VanDerWaalsContact C-N 3.32Å; M166-S168 PolarHBondContact O-N 2.66Å; S168-T171 PolarHBondContact O-OG1 3.22Å |
| 169 | L | 92 | Very high | 90 | Very high | 107 Ų | 107 | 74 Ų | 74 | 56% | 0.56 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -76.9 | -28.4 | 177.4 | -68.4 | 176.3 | 0 | 0 | 0 | 113 | L165 M166 N167 | L165-L169 HydrophobicContact CG-CD1 4.4Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.43Å; L165-L169 VanDerWaalsContact O-N 3.13Å; M166-L169 PolarHBondContact O-N 3.43Å; M166-L169 HydrophobicContact SD-CD1 4.49Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 3.08Å |
| 170 | T | 85.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 64% | 0.644 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -83.9 | -21.3 | 177.7 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | M166 N167 | M166-T170 PolarHBondContact O-N 3.14Å; M166-T170 VanDerWaalsContact O-N 3.1Å; M166-T170 PolarHBondContact O-OG1 3.29Å; N167-T170 WeakPolarHBondContact CA-OG1 3.44Å; N167-T170 PolarHBondContact O-N 2.82Å; N167-T170 VanDerWaalsContact O-N 3.14Å; N167-T170 PolarHBondContact O-OG1 3Å |
| 171 | T | 73.5 | Confident | 88.7 | Confident | 119 Ų | 119 | 81.9 Ų | 81.9 | 73% | 0.73 | 48% | 0.482 | S | S | * | . | trans | -90 | -9.2 | 177.7 | 49.6 | 0 | 0 | 0 | 0 | 114 | N167 S168 | N167-T171 PolarHBondContact O-N 3.1Å; N167-T171 VanDerWaalsContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.19Å; S168-T171 PolarHBondContact O-OG1 3.22Å | ||
| 172 | A | 52 | Low | 88 | Confident | 140 Ų | 140 | 87.5 Ų | 87.5 | 100% | 1.157 | 51% | 0.507 | S | S | * | . | trans | -90.1 | 0 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 172 of 172 residues in 54.4 ms
(Link to these results)