| 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 | 46 | Very low | 77 | Confident | 218 Ų | 218 | 105.3 Ų | 105.3 | 100% | 1.074 | 54% | 0.539 | S | S | * | . | 0 | 106 | 0 | -166.7 | 170.1 | 85.5 | 0 | 0 | 107.4 | L3 | M1-L3 PolarHBondContact O-N 3.17Š| |||
| 2 | N | 57.5 | Low | 78.3 | Confident | 165 Ų | 165 | 109.1 Ų | 109.1 | 88% | 0.882 | 55% | 0.548 | S | S | * | . | trans | -66.3 | 115.3 | 177.9 | -74.6 | -20 | 0 | 0 | 0 | 108.3 | ||||
| 3 | L | 65.8 | Low | 79.4 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | trans | -59.3 | 139.7 | 174 | -75 | 140.6 | 0 | 0 | 0 | 108.8 | M1 Q7 Q8 | M1-L3 PolarHBondContact O-N 3.17Å; L3-Q7 HydrophobicContact CB-CB 4.05Å; L3-Q7 HydrophobicContact CD2-CB 3.71Å; L3-Q7 HydrophobicContact CD2-CG 4.35Å; L3-Q8 HydrophobicContact CB-CG 3.79Å; L3-Q8 PolarHBondContact O-NE2 3.32Å | ||
| 4 | S | 80.6 | Confident | 80.5 | Confident | 60 Ų | 60 | 99.3 Ų | 99.3 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | trans | -59.6 | 152.6 | 174.2 | 71.4 | 0 | 0 | 0 | 0 | 110.1 | S6 Q7 Q8 | S4-S6 PolarHBondContact O-N 3.06Å; S4-S6 VanDerWaalsContact O-N 3.1Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 WeakPolarHBondContact O-CA 3.47Å; S4-Q7 WeakPolarHBondContact O-CB 3.5Å; S4-Q7 PolarHBondContact O-N 3.01Å; S4-Q7 WeakPolarHBondContact OG-CG 3.3Å; S4-Q7 PolarHBondContact OG-N 3.1Å; S4-Q8 PolarHBondContact O-N 2.89Å | ||
| 5 | I | 78.7 | Confident | 81.4 | Confident | 149 Ų | 149 | 97.5 Ų | 97.5 | 76% | 0.764 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -50.8 | -39.7 | 179.2 | -66.1 | 170.7 | 0 | 0 | 0 | 110.9 | Q8 F9 | I5-Q8 PolarHBondContact O-N 2.96Å; I5-F9 PolarHBondContact O-N 3.34Å |
| 6 | S | 82.3 | Confident | 82.3 | Confident | 69 Ų | 69 | 97.9 Ų | 97.9 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.5 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | S4 F9 W10 | S4-S6 PolarHBondContact O-N 3.06Å; S4-S6 VanDerWaalsContact O-N 3.1Å; S6-F9 PolarHBondContact O-N 3.09Å; S6-W10 PolarHBondContact O-N 3.39Å; S6-W10 VanDerWaalsContact O-N 3.1Å; S6-W10 PolarHBondContact OG-NE1 3.43Å |
| 7 | Q | 82.6 | Confident | 83.2 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 178.5 | -72 | 169.6 | -25 | 0 | 0 | 112.3 | L3 S4 F9 W10 N11 | L3-Q7 HydrophobicContact CB-CB 4.05Å; L3-Q7 HydrophobicContact CD2-CB 3.71Å; L3-Q7 HydrophobicContact CD2-CG 4.35Å; S4-Q7 VanDerWaalsContact N-OE1 3.08Å; S4-Q7 WeakPolarHBondContact O-CA 3.47Å; S4-Q7 WeakPolarHBondContact O-CB 3.5Å; S4-Q7 PolarHBondContact O-N 3.01Å; S4-Q7 WeakPolarHBondContact OG-CG 3.3Å; S4-Q7 PolarHBondContact OG-N 3.1Å; Q7-F9 VanDerWaalsContact C-N 3.34Å; Q7-F9 PolarHBondContact O-N 3.32Å; Q7-W10 PolarHBondContact O-N 3.14Å; Q7-N11 VanDerWaalsContact O-CG 3.28Å; Q7-N11 PolarHBondContact O-N 2.85Å; Q7-N11 PolarHBondContact O-OD1 3.17Å |
| 8 | Q | 86.3 | Confident | 83.9 | Confident | 89 Ų | 89 | 88.7 Ų | 88.7 | 42% | 0.416 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176 | -64.1 | -175.7 | 19.3 | 0 | 0 | 111.8 | L3 S4 I5 N11 K12 | L3-Q8 HydrophobicContact CB-CG 3.79Å; L3-Q8 PolarHBondContact O-NE2 3.32Å; S4-Q8 PolarHBondContact O-N 2.89Å; I5-Q8 PolarHBondContact O-N 2.96Å; Q8-N11 PolarHBondContact O-N 2.97Å; Q8-K12 WeakPolarHBondContact O-CG 3.29Å; Q8-K12 PolarHBondContact O-N 3.02Å; Q8-K12 VanDerWaalsContact O-N 3.1Å |
| 9 | F | 89 | Confident | 84.6 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 54% | 0.544 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.5 | 176.2 | -97.9 | 0 | 0 | 0 | 111.6 | I5 S6 Q7 N11 K12 L13 | I5-F9 PolarHBondContact O-N 3.34Å; S6-F9 PolarHBondContact O-N 3.09Å; Q7-F9 VanDerWaalsContact C-N 3.34Å; Q7-F9 PolarHBondContact O-N 3.32Å; F9-N11 PolarHBondContact O-N 3.14Å; F9-K12 PolarHBondContact O-N 3.37Å; F9-L13 HydrophobicContact CE1-CD2 4.47Å; F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 3.43Å |
| 10 | W | 87.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 84.5 Ų | 84.5 | 27% | 0.265 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.5 | -71.3 | 121.1 | 0 | 0 | 0 | 113.3 | S6 Q7 K12 L13 F14 I208 L212 | S6-W10 PolarHBondContact O-N 3.39Å; S6-W10 VanDerWaalsContact O-N 3.1Å; S6-W10 PolarHBondContact OG-NE1 3.43Å; Q7-W10 PolarHBondContact O-N 3.14Å; W10-K12 PolarHBondContact O-N 3.08Å; W10-L13 HydrophobicContact CE3-CD2 3.76Å; W10-L13 HydrophobicContact CZ3-CD2 3.55Å; W10-L13 PolarHBondContact O-N 3.05Å; W10-F14 WeakPolarHBondContact O-CB 3.38Å; W10-F14 PolarHBondContact O-N 3.5Å; W10-I208 HydrophobicContact CE3-CG2 3.87Å; W10-I208 HydrophobicContact CH2-CD1 4.34Å; W10-I208 HydrophobicContact CH2-CG1 4.45Å; W10-I208 HydrophobicContact CH2-CG2 3.46Å; W10-I208 VanDerWaalsContact CH2-CG2 3.46Å; W10-I208 HydrophobicContact CZ2-CG2 4.44Å; W10-I208 HydrophobicContact CZ3-CB 4.42Å; W10-I208 HydrophobicContact CZ3-CD1 4.21Å; W10-I208 HydrophobicContact CZ3-CG2 3.14Å; W10-L212 HydrophobicContact CB-CD1 4.49Å; W10-L212 HydrophobicContact CD2-CD1 3.58Å; W10-L212 HydrophobicContact CD2-CD2 4.43Å; W10-L212 HydrophobicContact CE3-CD1 3.77Å; W10-L212 HydrophobicContact CG-CD1 3.92Å; W10-L212 HydrophobicContact CZ2-CD1 4.36Å; W10-L212 HydrophobicContact CZ2-CD2 4.32Å; W10-L212 HydrophobicContact CZ3-CD1 4.28Å |
| 11 | N | 90.8 | Very high | 85.9 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 28% | 0.283 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 177.2 | -72 | -3.8 | 0 | 0 | 0 | 111.6 | Q7 Q8 F9 F14 I15 F75 | Q7-N11 VanDerWaalsContact O-CG 3.28Å; Q7-N11 PolarHBondContact O-N 2.85Å; Q7-N11 PolarHBondContact O-OD1 3.17Å; Q8-N11 PolarHBondContact O-N 2.97Å; F9-N11 PolarHBondContact O-N 3.14Å; N11-F14 PolarHBondContact O-N 3.43Å; N11-I15 WeakPolarHBondContact O-CG1 3.45Å; N11-I15 PolarHBondContact O-N 3.1Å; N11-F75 HydrophobicContact CB-CE2 3.95Å; N11-F75 HydrophobicContact CB-CZ 4.25Å |
| 12 | K | 92.1 | Very high | 88.3 | Confident | 151 Ų | 151 | 72 Ų | 72 | 66% | 0.657 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.8 | -71.5 | -179.5 | -179.4 | -176.8 | 0 | 111.6 | Q8 F9 W10 F14 I15 L16 | Q8-K12 WeakPolarHBondContact O-CG 3.29Å; Q8-K12 PolarHBondContact O-N 3.02Å; Q8-K12 VanDerWaalsContact O-N 3.1Å; F9-K12 PolarHBondContact O-N 3.37Å; W10-K12 PolarHBondContact O-N 3.08Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.17Å; K12-I15 PolarHBondContact O-N 3.41Å; K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 PolarHBondContact O-N 3.4Å |
| 13 | L | 92.9 | Very high | 90.3 | Very high | 46 Ų | 46 | 69.3 Ų | 69.3 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.8 | -175.5 | 66.4 | 0 | 0 | 0 | 111.8 | F9 W10 L16 L17 | F9-L13 HydrophobicContact CE1-CD2 4.47Å; F9-L13 WeakPolarHBondContact O-CB 3.4Å; F9-L13 PolarHBondContact O-N 3.43Å; W10-L13 HydrophobicContact CE3-CD2 3.76Å; W10-L13 HydrophobicContact CZ3-CD2 3.55Å; W10-L13 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 3.01Å; L13-L17 HydrophobicContact CD1-CD1 3.77Å; L13-L17 HydrophobicContact CD1-CG 4.07Å; L13-L17 HydrophobicContact CD2-CD1 4.37Å; L13-L17 HydrophobicContact CG-CD1 3.77Å; L13-L17 HydrophobicContact CG-CG 4.37Å; L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.1Å |
| 14 | F | 94.5 | Very high | 91.8 | Very high | 35 Ų | 35 | 66 Ų | 66 | 15% | 0.154 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.7 | -50.4 | 176.1 | 176.4 | -86.2 | 0 | 0 | 0 | 111.5 | W10 N11 K12 L16 N18 G71 F75 Y205 | W10-F14 WeakPolarHBondContact O-CB 3.38Å; W10-F14 PolarHBondContact O-N 3.5Å; N11-F14 PolarHBondContact O-N 3.43Å; K12-F14 VanDerWaalsContact C-N 3.34Å; K12-F14 PolarHBondContact O-N 3.17Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.36Å; F14-N18 WeakPolarHBondContact CD2-ND2 3.39Å; F14-N18 VanDerWaalsContact CE2-ND2 3.29Å; F14-N18 WeakPolarHBondContact CE2-ND2 3.32Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.33Å; F14-N18 WeakPolarHBondContact O-CB 3.37Å; F14-N18 PolarHBondContact O-N 3.46Å; F14-N18 PolarHBondContact O-ND2 3.14Å; F14-G71 WeakPolarHBondContact CZ-O 3.43Å; F14-F75 HydrophobicContact CD1-CB 4.32Å; F14-F75 AromaticContact CD1-CD2 3.64Å; F14-F75 HydrophobicContact CD1-CD2 3.64Å; F14-F75 HydrophobicContact CD1-CE2 4.26Å; F14-F75 HydrophobicContact CD1-CG 4.15Å; F14-F75 HydrophobicContact CE1-CB 3.65Å; F14-F75 AromaticContact CE1-CD2 3.87Å; F14-F75 HydrophobicContact CE1-CD2 3.87Å; F14-F75 AromaticContact CE1-CG 3.96Å; F14-F75 HydrophobicContact CE1-CG 3.96Å; F14-F75 HydrophobicContact CG-CD2 4.38Å; F14-F75 HydrophobicContact CZ-CB 4.18Å; F14-Y205 HydrophobicContact CD2-CE2 4.24Å; F14-Y205 WeakPolarHBondContact CD2-OH 3.46Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.38Å |
| 15 | I | 95.2 | Very high | 92.6 | Very high | 72 Ų | 72 | 63.1 Ų | 63.1 | 37% | 0.369 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 179.7 | -66.9 | 166 | 0 | 0 | 0 | 110.3 | N11 K12 S19 Y72 F75 | N11-I15 WeakPolarHBondContact O-CG1 3.45Å; N11-I15 PolarHBondContact O-N 3.1Å; K12-I15 PolarHBondContact O-N 3.41Å; I15-S19 VanDerWaalsContact O-CB 3.3Å; I15-S19 WeakPolarHBondContact O-CB 3.36Å; I15-S19 PolarHBondContact O-N 3.33Å; I15-S19 PolarHBondContact O-OG 3.39Å; I15-Y72 PolarHBondContact O-OH 3.41Å; I15-F75 HydrophobicContact CD1-CE1 4.18Å; I15-F75 HydrophobicContact CD1-CE2 4.48Å; I15-F75 HydrophobicContact CD1-CZ 3.84Å; I15-F75 HydrophobicContact CG1-CE1 4.5Å; I15-F75 HydrophobicContact CG1-CE2 4.46Å; I15-F75 HydrophobicContact CG1-CZ 4.22Å |
| 16 | L | 96 | Very high | 93.6 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 55% | 0.545 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.6 | -53.1 | 179.6 | -180 | 65.1 | 0 | 0 | 0 | 111.6 | K12 L13 F14 S19 C20 | K12-L16 WeakPolarHBondContact O-CB 3.5Å; K12-L16 PolarHBondContact O-N 3.4Å; L13-L16 PolarHBondContact O-N 3.01Å; F14-L16 VanDerWaalsContact C-N 3.34Å; F14-L16 PolarHBondContact O-N 3.36Å; L16-S19 WeakPolarHBondContact O-CB 3.5Å; L16-S19 PolarHBondContact O-N 3.28Å; L16-C20 PolarHBondContact O-N 3.02Å; L16-C20 PolarHBondContact O-SG 3.36Å; L16-C20 VanDerWaalsContact O-SG 3.32Å |
| 17 | L | 96.4 | Very high | 94.3 | Very high | 30 Ų | 30 | 60 Ų | 60 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -40.4 | -176.2 | -70.1 | 173.7 | 0 | 0 | 0 | 112.4 | L13 S19 C20 F21 I201 Y205 | L13-L17 HydrophobicContact CD1-CD1 3.77Å; L13-L17 HydrophobicContact CD1-CG 4.07Å; L13-L17 HydrophobicContact CD2-CD1 4.37Å; L13-L17 HydrophobicContact CG-CD1 3.77Å; L13-L17 HydrophobicContact CG-CG 4.37Å; L13-L17 WeakPolarHBondContact O-CB 3.32Å; L13-L17 WeakPolarHBondContact O-CG 3.4Å; L13-L17 PolarHBondContact O-N 3.1Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.46Å; L17-C20 WeakPolarHBondContact O-CB 3.48Å; L17-C20 PolarHBondContact O-N 2.73Å; L17-F21 HydrophobicContact CB-CE2 4.15Å; L17-F21 HydrophobicContact CB-CZ 4.3Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.5Å; L17-F21 WeakPolarHBondContact O-CG 3.23Å; L17-F21 PolarHBondContact O-N 3.49Å; L17-I201 HydrophobicContact CD2-CG2 3.91Å; L17-Y205 HydrophobicContact CB-CD2 4.15Å; L17-Y205 HydrophobicContact CB-CE2 4.41Å; L17-Y205 HydrophobicContact CD1-CD2 3.51Å; L17-Y205 HydrophobicContact CD1-CE2 4.33Å; L17-Y205 HydrophobicContact CD1-CG 4.22Å; L17-Y205 HydrophobicContact CG-CD2 4.49Å |
| 18 | N | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -36 | 174.9 | -78.9 | -84.7 | 0 | 0 | 0 | 111.9 | F14 F21 V22 Y72 H86 Y205 | F14-N18 WeakPolarHBondContact CD2-ND2 3.39Å; F14-N18 VanDerWaalsContact CE2-ND2 3.29Å; F14-N18 WeakPolarHBondContact CE2-ND2 3.32Å; F14-N18 WeakPolarHBondContact CZ-ND2 3.33Å; F14-N18 WeakPolarHBondContact O-CB 3.37Å; F14-N18 PolarHBondContact O-N 3.46Å; F14-N18 PolarHBondContact O-ND2 3.14Å; N18-F21 PolarHBondContact O-N 2.84Å; N18-V22 WeakPolarHBondContact O-CG2 3.38Å; N18-V22 PolarHBondContact O-N 3.3Å; N18-Y72 HydrophobicContact CB-CE1 4.46Å; N18-Y72 HydrophobicContact CB-CE2 4.01Å; N18-H86 PolarHBondContact OD1-CE1 2.95Å; N18-Y205 PolarHBondContact ND2-OH 3.46Å |
| 19 | S | 97 | Very high | 95.6 | Very high | 45 Ų | 45 | 53.1 Ų | 53.1 | 32% | 0.315 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 172.2 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | I15 L16 L17 F21 V22 I23 Y72 | I15-S19 VanDerWaalsContact O-CB 3.3Å; I15-S19 WeakPolarHBondContact O-CB 3.36Å; I15-S19 PolarHBondContact O-N 3.33Å; I15-S19 PolarHBondContact O-OG 3.39Å; L16-S19 WeakPolarHBondContact O-CB 3.5Å; L16-S19 PolarHBondContact O-N 3.28Å; L17-S19 VanDerWaalsContact C-N 3.31Å; L17-S19 PolarHBondContact O-N 3.46Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 2.9Å; S19-V22 PolarHBondContact O-N 2.88Å; S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.19Å; S19-I23 VanDerWaalsContact O-N 3.12Å; S19-Y72 PolarHBondContact N-OH 3.29Å; S19-Y72 VanDerWaalsContact N-OH 3.16Å; S19-Y72 PolarHBondContact OG-OH 3.42Å |
| 20 | C | 97.4 | Very high | 96 | Very high | 49 Ų | 49 | 50 Ų | 50 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -39.9 | 174.3 | -67.5 | 0 | 0 | 0 | 0 | 112.1 | L16 L17 I23 F24 | L16-C20 PolarHBondContact O-N 3.02Å; L16-C20 PolarHBondContact O-SG 3.36Å; L16-C20 VanDerWaalsContact O-SG 3.32Å; L17-C20 WeakPolarHBondContact O-CB 3.48Å; L17-C20 PolarHBondContact O-N 2.73Å; C20-I23 PolarHBondContact O-N 3.36Å; C20-F24 WeakPolarHBondContact O-CB 3.37Å; C20-F24 PolarHBondContact O-N 3.39Å |
| 21 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.6 | -33.9 | 177.3 | -61.5 | -28.6 | 0 | 0 | 0 | 113 | L17 N18 S19 F24 G25 I64 T68 L90 F198 I201 K202 Y205 | L17-F21 HydrophobicContact CB-CE2 4.15Å; L17-F21 HydrophobicContact CB-CZ 4.3Å; L17-F21 VanDerWaalsContact O-CD2 3.24Å; L17-F21 WeakPolarHBondContact O-CD2 3.5Å; L17-F21 WeakPolarHBondContact O-CG 3.23Å; L17-F21 PolarHBondContact O-N 3.49Å; N18-F21 PolarHBondContact O-N 2.84Å; S19-F21 VanDerWaalsContact C-N 3.31Å; S19-F21 PolarHBondContact O-N 2.9Å; F21-F24 PolarHBondContact O-N 3.39Å; F21-G25 PolarHBondContact O-N 3.1Å; F21-I64 HydrophobicContact CB-CG2 3.96Å; F21-I64 VanDerWaalsContact O-CG2 3.27Å; F21-I64 WeakPolarHBondContact O-CG2 3.48Å; F21-T68 HydrophobicContact CB-CG2 3.59Å; F21-L90 HydrophobicContact CD2-CD1 4.41Å; F21-L90 HydrophobicContact CE2-CD1 4.43Å; F21-F198 HydrophobicContact CD1-CD1 4.21Å; F21-F198 HydrophobicContact CE1-CD1 4.41Å; F21-I201 HydrophobicContact CE1-CG2 3.84Å; F21-I201 HydrophobicContact CZ-CG2 4.08Å; F21-K202 HydrophobicContact CD1-CD 4.44Å; F21-K202 HydrophobicContact CD1-CG 3.9Å; F21-K202 HydrophobicContact CE1-CB 4.45Å; F21-K202 HydrophobicContact CE1-CD 4.37Å; F21-K202 HydrophobicContact CE1-CG 3.38Å; F21-K202 HydrophobicContact CE2-CG 4.19Å; F21-K202 HydrophobicContact CZ-CB 4.31Å; F21-K202 HydrophobicContact CZ-CG 3.56Å; F21-Y205 AromaticContact CE2-CD1 3.72Å; F21-Y205 HydrophobicContact CE2-CD1 3.72Å; F21-Y205 HydrophobicContact CE2-CE1 4.11Å; F21-Y205 AromaticContact CE2-CG 3.92Å; F21-Y205 HydrophobicContact CE2-CG 3.92Å; F21-Y205 HydrophobicContact CZ-CD1 4.32Å; F21-Y205 HydrophobicContact CZ-CG 4.23Å |
| 22 | V | 98.4 | Very high | 96.8 | Very high | 39 Ų | 39 | 46.4 Ų | 46.4 | 24% | 0.236 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.5 | -49.5 | 171.5 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | N18 S19 F24 G25 I26 L65 T68 Y72 | N18-V22 WeakPolarHBondContact O-CG2 3.38Å; N18-V22 PolarHBondContact O-N 3.3Å; S19-V22 PolarHBondContact O-N 2.88Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3Å; V22-G25 PolarHBondContact O-N 3.22Å; V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 WeakPolarHBondContact O-CG1 3.24Å; V22-I26 PolarHBondContact O-N 2.94Å; V22-L65 HydrophobicContact CB-CD2 4.37Å; V22-L65 HydrophobicContact CG1-CD2 3.97Å; V22-T68 HydrophobicContact CG2-CG2 4.18Å; V22-T68 WeakPolarHBondContact CG2-OG1 3.36Å; V22-Y72 HydrophobicContact CG2-CE2 4.29Å |
| 23 | I | 98 | Very high | 97 | Very high | 109 Ų | 109 | 43.4 Ų | 43.4 | 56% | 0.559 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.3 | -45.7 | 178 | -64.4 | 167.9 | 0 | 0 | 0 | 110.2 | S19 C20 G25 I26 V27 | S19-I23 WeakPolarHBondContact O-CG1 3.47Å; S19-I23 PolarHBondContact O-N 3.19Å; S19-I23 VanDerWaalsContact O-N 3.12Å; C20-I23 PolarHBondContact O-N 3.36Å; I23-G25 PolarHBondContact O-N 3.07Å; I23-I26 PolarHBondContact O-N 2.96Å; I23-V27 HydrophobicContact CG2-CG2 4.45Å; I23-V27 WeakPolarHBondContact O-CG2 3.34Å; I23-V27 PolarHBondContact O-N 3.42Å |
| 24 | F | 97.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 176 | 176.1 | -117.3 | 0 | 0 | 0 | 112.7 | C20 F21 V22 I26 V27 L28 I64 E97 L194 F195 F198 | C20-F24 WeakPolarHBondContact O-CB 3.37Å; C20-F24 PolarHBondContact O-N 3.39Å; F21-F24 PolarHBondContact O-N 3.39Å; V22-F24 VanDerWaalsContact C-N 3.31Å; V22-F24 PolarHBondContact O-N 3Å; F24-I26 VanDerWaalsContact C-N 3.32Å; F24-I26 PolarHBondContact O-N 3.4Å; F24-V27 PolarHBondContact O-N 2.85Å; F24-L28 HydrophobicContact CD1-CD1 4.14Å; F24-L28 HydrophobicContact CD2-CG 4.28Å; F24-L28 HydrophobicContact CE1-CD1 3.52Å; F24-L28 HydrophobicContact CE1-CG 4.21Å; F24-L28 HydrophobicContact CE2-CD1 4.05Å; F24-L28 HydrophobicContact CE2-CD2 3.97Å; F24-L28 HydrophobicContact CE2-CG 3.89Å; F24-L28 HydrophobicContact CZ-CD1 3.48Å; F24-L28 VanDerWaalsContact CZ-CD1 3.48Å; F24-L28 HydrophobicContact CZ-CD2 4.07Å; F24-L28 HydrophobicContact CZ-CG 3.86Å; F24-L28 WeakPolarHBondContact O-CG 3.33Å; F24-L28 PolarHBondContact O-N 3.09Å; F24-I64 HydrophobicContact CD1-CD1 3.59Å; F24-I64 HydrophobicContact CE1-CD1 3.4Å; F24-E97 WeakPolarHBondContact CE1-OE1 3.24Å; F24-L194 HydrophobicContact CE2-CB 4.01Å; F24-L194 HydrophobicContact CE2-CD2 4.36Å; F24-F195 HydrophobicContact CZ-CD1 4.28Å; F24-F198 HydrophobicContact CB-CD1 3.77Å; F24-F198 HydrophobicContact CB-CE1 3.53Å; F24-F198 HydrophobicContact CB-CE2 4.41Å; F24-F198 HydrophobicContact CB-CG 4.32Å; F24-F198 HydrophobicContact CB-CZ 3.87Å; F24-F198 HydrophobicContact CD1-CB 4.1Å; F24-F198 AromaticContact CD1-CD1 3.96Å; F24-F198 HydrophobicContact CD1-CD1 3.96Å; F24-F198 AromaticContact CD1-CG 4Å; F24-F198 HydrophobicContact CD1-CG 4Å; F24-F198 HydrophobicContact CD2-CB 4.05Å; F24-F198 AromaticContact CD2-CD1 3.77Å; F24-F198 HydrophobicContact CD2-CD1 3.77Å; F24-F198 AromaticContact CD2-CD2 3.26Å; F24-F198 HydrophobicContact CD2-CD2 3.26Å; F24-F198 AromaticContact CD2-CE1 3.97Å; F24-F198 HydrophobicContact CD2-CE1 3.97Å; F24-F198 AromaticContact CD2-CE2 3.48Å; F24-F198 HydrophobicContact CD2-CE2 3.48Å; F24-F198 VanDerWaalsContact CD2-CE2 3.48Å; F24-F198 AromaticContact CD2-CG 3.4Å; F24-F198 HydrophobicContact CD2-CG 3.4Å; F24-F198 AromaticContact CD2-CZ 3.83Å; F24-F198 HydrophobicContact CD2-CZ 3.83Å; F24-F198 HydrophobicContact CE1-CB 3.77Å; F24-F198 HydrophobicContact CE1-CD1 4.49Å; F24-F198 HydrophobicContact CE1-CG 4.11Å; F24-F198 HydrophobicContact CE2-CB 3.69Å; F24-F198 HydrophobicContact CE2-CD1 4.3Å; F24-F198 AromaticContact CE2-CD2 3.35Å; F24-F198 HydrophobicContact CE2-CD2 3.35Å; F24-F198 HydrophobicContact CE2-CE2 4Å; F24-F198 AromaticContact CE2-CG 3.51Å; F24-F198 HydrophobicContact CE2-CG 3.51Å; F24-F198 HydrophobicContact CG-CB 4.22Å; F24-F198 AromaticContact CG-CD1 3.55Å; F24-F198 HydrophobicContact CG-CD1 3.55Å; F24-F198 AromaticContact CG-CD2 3.96Å; F24-F198 HydrophobicContact CG-CD2 3.96Å; F24-F198 AromaticContact CG-CE1 3.8Å; F24-F198 HydrophobicContact CG-CE1 3.8Å; F24-F198 HydrophobicContact CG-CE2 4.17Å; F24-F198 AromaticContact CG-CG 3.64Å; F24-F198 HydrophobicContact CG-CG 3.64Å; F24-F198 HydrophobicContact CG-CZ 4.09Å; F24-F198 HydrophobicContact CZ-CB 3.54Å; F24-F198 HydrophobicContact CZ-CD2 4.13Å; F24-F198 AromaticContact CZ-CG 3.87Å; F24-F198 HydrophobicContact CZ-CG 3.87Å |
| 25 | G | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F21 V22 I23 L28 L29 | F21-G25 PolarHBondContact O-N 3.1Å; V22-G25 PolarHBondContact O-N 3.22Å; I23-G25 PolarHBondContact O-N 3.07Å; G25-L28 PolarHBondContact O-N 3.49Å; G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 2.95Å |
| 26 | I | 98.4 | Very high | 97.1 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 175.7 | -65.5 | 167.1 | 0 | 0 | 0 | 111.2 | V22 I23 F24 L28 L29 A30 L65 | V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 WeakPolarHBondContact O-CG1 3.24Å; V22-I26 PolarHBondContact O-N 2.94Å; I23-I26 PolarHBondContact O-N 2.96Å; F24-I26 VanDerWaalsContact C-N 3.32Å; F24-I26 PolarHBondContact O-N 3.4Å; I26-L28 PolarHBondContact O-N 3.38Å; I26-L29 PolarHBondContact O-N 3.07Å; I26-A30 PolarHBondContact O-N 3.49Å; I26-L65 HydrophobicContact CG1-CD2 4.17Å |
| 27 | V | 98.1 | Very high | 97 | Very high | 58 Ų | 58 | 44.8 Ų | 44.8 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 177.8 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | I23 F24 L29 A30 L31 L194 | I23-V27 HydrophobicContact CG2-CG2 4.45Å; I23-V27 WeakPolarHBondContact O-CG2 3.34Å; I23-V27 PolarHBondContact O-N 3.42Å; F24-V27 PolarHBondContact O-N 2.85Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.34Å; V27-A30 PolarHBondContact O-N 2.96Å; V27-L31 HydrophobicContact CG1-CD1 3.85Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.3Å; V27-L194 HydrophobicContact CG1-CD1 4.12Å |
| 28 | L | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | 175.9 | -72.8 | -175.1 | 0 | 0 | 0 | 112.3 | F24 G25 I26 G32 I60 I64 L191 L194 F195 | F24-L28 HydrophobicContact CD1-CD1 4.14Å; F24-L28 HydrophobicContact CD2-CG 4.28Å; F24-L28 HydrophobicContact CE1-CD1 3.52Å; F24-L28 HydrophobicContact CE1-CG 4.21Å; F24-L28 HydrophobicContact CE2-CD1 4.05Å; F24-L28 HydrophobicContact CE2-CD2 3.97Å; F24-L28 HydrophobicContact CE2-CG 3.89Å; F24-L28 HydrophobicContact CZ-CD1 3.48Å; F24-L28 VanDerWaalsContact CZ-CD1 3.48Å; F24-L28 HydrophobicContact CZ-CD2 4.07Å; F24-L28 HydrophobicContact CZ-CG 3.86Å; F24-L28 WeakPolarHBondContact O-CG 3.33Å; F24-L28 PolarHBondContact O-N 3.09Å; G25-L28 PolarHBondContact O-N 3.49Å; I26-L28 PolarHBondContact O-N 3.38Å; L28-G32 PolarHBondContact O-N 2.97Å; L28-I60 HydrophobicContact CD1-CB 4.41Å; L28-I60 HydrophobicContact CD1-CG2 3.85Å; L28-I64 HydrophobicContact CD1-CD1 4.39Å; L28-L191 HydrophobicContact CD2-CD2 3.91Å; L28-L194 HydrophobicContact CD2-CD1 4.34Å; L28-F195 HydrophobicContact CD1-CE1 3.87Å; L28-F195 HydrophobicContact CD2-CD1 4.23Å; L28-F195 HydrophobicContact CD2-CE1 3.69Å; L28-F195 HydrophobicContact CG-CE1 4.45Å |
| 29 | L | 97.7 | Very high | 96.5 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 17% | 0.168 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.8 | -73.9 | 174.7 | 0 | 0 | 0 | 111.5 | G25 I26 V27 L31 G32 I33 I58 L65 | G25-L29 WeakPolarHBondContact O-CG 3.41Å; G25-L29 PolarHBondContact O-N 2.95Å; I26-L29 PolarHBondContact O-N 3.07Å; V27-L29 VanDerWaalsContact C-N 3.34Å; V27-L29 PolarHBondContact O-N 3.34Å; L29-L31 PolarHBondContact O-N 3.45Å; L29-G32 PolarHBondContact O-N 3.41Å; L29-I33 HydrophobicContact CB-CD1 4.42Å; L29-I33 VanDerWaalsContact O-CB 3.26Å; L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CD1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 3.25Å; L29-I58 HydrophobicContact CD2-CB 4.38Å; L29-I58 HydrophobicContact CD2-CG2 3.66Å; L29-I58 WeakPolarHBondContact CD2-O 3.23Å; L29-L65 HydrophobicContact CD1-CD1 3.46Å; L29-L65 VanDerWaalsContact CD1-CD1 3.46Å |
| 30 | A | 97.8 | Very high | 96.2 | Very high | 60 Ų | 60 | 46.6 Ų | 46.6 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -46.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I26 V27 K34 | I26-A30 PolarHBondContact O-N 3.49Å; V27-A30 PolarHBondContact O-N 2.96Å; A30-K34 VanDerWaalsContact O-CB 3.27Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.5Å; A30-K34 VanDerWaalsContact O-N 3.08Å |
| 31 | L | 97.2 | Very high | 95.7 | Very high | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.2 | -45.6 | 177.8 | -67.2 | 177.8 | 0 | 0 | 0 | 111.6 | V27 L29 A35 V190 L191 L194 | V27-L31 HydrophobicContact CG1-CD1 3.85Å; V27-L31 HydrophobicContact CG1-CG 4.28Å; V27-L31 WeakPolarHBondContact O-CB 3.41Å; V27-L31 WeakPolarHBondContact O-CG 3.33Å; V27-L31 PolarHBondContact O-N 3.3Å; L29-L31 PolarHBondContact O-N 3.45Å; L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.45Å; L31-V190 HydrophobicContact CD1-CG1 3.91Å; L31-L191 HydrophobicContact CB-CD2 4.23Å; L31-L191 HydrophobicContact CD1-CD2 4.3Å; L31-L194 HydrophobicContact CD1-CD1 3.71Å |
| 32 | G | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L28 L29 A35 L36 | L28-G32 PolarHBondContact O-N 2.97Å; L29-G32 PolarHBondContact O-N 3.41Å; G32-A35 PolarHBondContact O-N 3.19Å; G32-L36 WeakPolarHBondContact O-CB 3.35Å; G32-L36 PolarHBondContact O-N 3Å |
| 33 | I | 96.9 | Very high | 94.5 | Very high | 89 Ų | 89 | 48 Ų | 48 | 46% | 0.456 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 178.7 | -69.1 | 166.3 | 0 | 0 | 0 | 110.3 | L29 A35 L36 E37 I58 | L29-I33 HydrophobicContact CB-CD1 4.42Å; L29-I33 VanDerWaalsContact O-CB 3.26Å; L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CD1 3.29Å; L29-I33 WeakPolarHBondContact O-CG1 3.38Å; L29-I33 PolarHBondContact O-N 3.25Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.38Å; I33-L36 PolarHBondContact O-N 3.49Å; I33-E37 WeakPolarHBondContact O-CB 3.03Å; I33-E37 PolarHBondContact O-N 3Å; I33-I58 HydrophobicContact CG1-CD1 4.03Å; I33-I58 HydrophobicContact CG1-CG1 4.34Å |
| 34 | K | 95.9 | Very high | 93.7 | Very high | 127 Ų | 127 | 49.5 Ų | 49.5 | 55% | 0.552 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.6 | -44.2 | -179.7 | -177.5 | 178.5 | -179.6 | -179.8 | 0 | 112.3 | A30 T38 | A30-K34 VanDerWaalsContact O-CB 3.27Å; A30-K34 WeakPolarHBondContact O-CB 3.49Å; A30-K34 PolarHBondContact O-N 3.5Å; A30-K34 VanDerWaalsContact O-N 3.08Å; K34-T38 PolarHBondContact O-N 3Å; K34-T38 PolarHBondContact O-OG1 3.33Å |
| 35 | A | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.8 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L31 G32 I33 T38 I39 I54 | L31-A35 WeakPolarHBondContact O-CB 3.41Å; L31-A35 PolarHBondContact O-N 3.45Å; G32-A35 PolarHBondContact O-N 3.19Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 PolarHBondContact O-N 3.38Å; A35-T38 PolarHBondContact O-N 3.34Å; A35-I39 WeakPolarHBondContact O-CG1 3.13Å; A35-I39 PolarHBondContact O-N 3Å; A35-I39 VanDerWaalsContact O-N 3.11Å; A35-I54 HydrophobicContact CB-CD1 3.92Å; A35-I54 HydrophobicContact CB-CG1 4.22Å; A35-I54 HydrophobicContact CB-CG2 3.92Å |
| 36 | L | 94.1 | Very high | 92.3 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 22% | 0.22 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 177.7 | -175.3 | 60.8 | 0 | 0 | 0 | 112.3 | G32 I33 T38 I39 N40 T50 I54 I58 | G32-L36 WeakPolarHBondContact O-CB 3.35Å; G32-L36 PolarHBondContact O-N 3Å; I33-L36 PolarHBondContact O-N 3.49Å; L36-T38 VanDerWaalsContact C-N 3.35Å; L36-T38 PolarHBondContact O-N 3.28Å; L36-I39 PolarHBondContact O-N 2.97Å; L36-N40 VanDerWaalsContact O-CB 3.3Å; L36-N40 WeakPolarHBondContact O-CB 3.36Å; L36-N40 PolarHBondContact O-N 3.13Å; L36-N40 PolarHBondContact O-ND2 2.76Å; L36-T50 HydrophobicContact CD1-CG2 4.24Å; L36-I54 HydrophobicContact CB-CG2 3.9Å; L36-I58 HydrophobicContact CB-CD1 4.25Å; L36-I58 HydrophobicContact CD2-CD1 3.64Å |
| 37 | E | 93.6 | Very high | 91.4 | Very high | 116 Ų | 116 | 50 Ų | 50 | 54% | 0.542 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 175 | -175.7 | 174.4 | -161.1 | 0 | 0 | 110.8 | I33 I39 N40 E41 | I33-E37 WeakPolarHBondContact O-CB 3.03Å; I33-E37 PolarHBondContact O-N 3Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 2.85Å; E37-N40 PolarHBondContact O-N 3.1Å; E37-N40 VanDerWaalsContact O-N 3.15Å; E37-E41 WeakPolarHBondContact O-CG 3.5Å; E37-E41 PolarHBondContact O-N 3.44Å |
| 38 | T | 92.2 | Very high | 90.3 | Very high | 22 Ų | 22 | 49.7 Ų | 49.7 | 14% | 0.135 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -39.3 | 178 | -54.1 | 0 | 0 | 0 | 0 | 112.4 | K34 A35 L36 F143 Y183 | K34-T38 PolarHBondContact O-N 3Å; K34-T38 PolarHBondContact O-OG1 3.33Å; A35-T38 PolarHBondContact O-N 3.34Å; L36-T38 VanDerWaalsContact C-N 3.35Å; L36-T38 PolarHBondContact O-N 3.28Å; T38-F143 HydrophobicContact CG2-CE2 4Å; T38-F143 HydrophobicContact CG2-CZ 3.72Å; T38-Y183 HydrophobicContact CG2-CE1 3.92Å; T38-Y183 PolarHBondContact OG1-OH 3.33Å; T38-Y183 VanDerWaalsContact OG1-OH 3.13Å |
| 39 | I | 90.9 | Very high | 89.6 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -73.2 | -37.6 | 177.3 | -68 | 170.3 | 0 | 0 | 0 | 111.1 | A35 L36 E37 E41 L42 A43 T50 P51 I54 F180 L184 | A35-I39 WeakPolarHBondContact O-CG1 3.13Å; A35-I39 PolarHBondContact O-N 3Å; A35-I39 VanDerWaalsContact O-N 3.11Å; L36-I39 PolarHBondContact O-N 2.97Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 2.85Å; I39-E41 VanDerWaalsContact C-N 3.33Å; I39-E41 PolarHBondContact O-N 3Å; I39-L42 CarbonylContact O-C 3.53Å; I39-L42 VanDerWaalsContact O-C 3.28Å; I39-L42 WeakPolarHBondContact O-CA 3.41Å; I39-L42 PolarHBondContact O-N 2.93Å; I39-A43 PolarHBondContact O-N 3.5Å; I39-T50 HydrophobicContact CD1-CG2 3.98Å; I39-T50 HydrophobicContact CG2-CG2 4.31Å; I39-P51 HydrophobicContact CD1-CG 4.4Å; I39-I54 HydrophobicContact CD1-CD1 3.36Å; I39-F180 HydrophobicContact CG1-CZ 4.43Å; I39-L184 HydrophobicContact CD1-CD2 3.96Å; I39-L184 HydrophobicContact CG1-CD2 4.27Å |
| 40 | N | 89.9 | Confident | 89.1 | Confident | 90 Ų | 90 | 53.6 Ų | 53.6 | 48% | 0.481 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.7 | -32.7 | 179.2 | -76.3 | -16.7 | 0 | 0 | 0 | 112.4 | L36 E37 L42 A43 | L36-N40 VanDerWaalsContact O-CB 3.3Å; L36-N40 WeakPolarHBondContact O-CB 3.36Å; L36-N40 PolarHBondContact O-N 3.13Å; L36-N40 PolarHBondContact O-ND2 2.76Å; E37-N40 PolarHBondContact O-N 3.1Å; E37-N40 VanDerWaalsContact O-N 3.15Å; N40-L42 PolarHBondContact O-N 2.78Å; N40-A43 VanDerWaalsContact O-CB 3.23Å; N40-A43 WeakPolarHBondContact O-CB 3.27Å; N40-A43 PolarHBondContact O-N 2.89Å |
| 41 | E | 87.7 | Confident | 88.7 | Confident | 77 Ų | 77 | 51.1 Ų | 51.1 | 36% | 0.36 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.5 | 169.4 | -74.6 | -177.5 | 178.6 | 0 | 0 | 113 | E37 I39 E135 N142 | E37-E41 WeakPolarHBondContact O-CG 3.5Å; E37-E41 PolarHBondContact O-N 3.44Å; I39-E41 VanDerWaalsContact C-N 3.33Å; I39-E41 PolarHBondContact O-N 3Å; E41-E135 VanDerWaalsContact O-CG 3.28Å; E41-E135 WeakPolarHBondContact O-CG 3.25Å; E41-N142 PolarHBondContact OE2-ND2 3Å |
| 42 | L | 87.7 | Confident | 88.5 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 20.5 | -178 | -55.2 | 173.4 | 0 | 0 | 0 | 111.5 | I39 N40 K44 M45 F46 E135 L139 F180 | I39-L42 CarbonylContact O-C 3.53Å; I39-L42 VanDerWaalsContact O-C 3.28Å; I39-L42 WeakPolarHBondContact O-CA 3.41Å; I39-L42 PolarHBondContact O-N 2.93Å; N40-L42 PolarHBondContact O-N 2.78Å; L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 2.84Å; L42-M45 HydrophobicContact CD2-CE 4.46Å; L42-M45 WeakPolarHBondContact O-CB 3.46Å; L42-M45 PolarHBondContact O-N 3.41Å; L42-F46 HydrophobicContact CB-CD2 3.56Å; L42-F46 HydrophobicContact CB-CE2 3.44Å; L42-F46 VanDerWaalsContact CB-CE2 3.44Å; L42-F46 HydrophobicContact CD1-CE2 3.59Å; L42-F46 HydrophobicContact CD1-CZ 4.32Å; L42-F46 HydrophobicContact CG-CE2 4.15Å; L42-F46 WeakPolarHBondContact O-CD2 3.37Å; L42-F46 PolarHBondContact O-N 3.4Å; L42-E135 WeakPolarHBondContact CA-OE2 3.46Å; L42-E135 HydrophobicContact CD2-CB 4.04Å; L42-E135 WeakPolarHBondContact CD2-O 3.3Å; L42-L139 HydrophobicContact CD1-CD1 3.61Å; L42-L139 HydrophobicContact CD2-CB 3.91Å; L42-L139 HydrophobicContact CD2-CD1 4.47Å; L42-F180 HydrophobicContact CD1-CD2 4.21Å; L42-F180 HydrophobicContact CD1-CE2 3.66Å; L42-F180 HydrophobicContact CD1-CZ 4.1Å |
| 43 | A | 83.6 | Confident | 88.4 | Confident | 35 Ų | 35 | 52 Ų | 52 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -34.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113 | I39 N40 S47 G48 | I39-A43 PolarHBondContact O-N 3.5Å; N40-A43 VanDerWaalsContact O-CB 3.23Å; N40-A43 WeakPolarHBondContact O-CB 3.27Å; N40-A43 PolarHBondContact O-N 2.89Å; A43-S47 WeakPolarHBondContact O-CA 3.3Å; A43-S47 PolarHBondContact O-N 2.88Å; A43-G48 PolarHBondContact O-N 3.16Å |
| 44 | K | 81.8 | Confident | 88.2 | Confident | 141 Ų | 141 | 47.7 Ų | 47.7 | 61% | 0.613 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -38.4 | 177.4 | -62.5 | -66.2 | -174.6 | 179.9 | 0 | 111.1 | L42 S47 E135 | L42-K44 VanDerWaalsContact C-N 3.33Å; L42-K44 PolarHBondContact O-N 2.84Å; K44-S47 PolarHBondContact O-N 3.46Å; K44-E135 WeakPolarHBondContact CB-OE1 3.36Å; K44-E135 VanDerWaalsContact CG-OE1 3.27Å; K44-E135 WeakPolarHBondContact CG-OE1 3.41Å; K44-E135 PolarHBondContact N-OE1 3.48Å; K44-E135 PolarHBondContact N-OE2 3.29Å |
| 45 | M | 83.3 | Confident | 88.2 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -48.7 | 175.9 | -174.6 | 179 | -52.1 | 0 | 0 | 110.3 | L42 S47 S118 V119 A122 L132 E135 M136 L139 | L42-M45 HydrophobicContact CD2-CE 4.46Å; L42-M45 WeakPolarHBondContact O-CB 3.46Å; L42-M45 PolarHBondContact O-N 3.41Å; M45-S47 VanDerWaalsContact C-N 3.33Å; M45-S47 PolarHBondContact O-N 2.98Å; M45-S118 WeakPolarHBondContact O-CB 3.41Å; M45-S118 PolarHBondContact O-OG 3.29Å; M45-V119 HydrophobicContact SD-CB 4.43Å; M45-V119 HydrophobicContact SD-CG2 3.8Å; M45-A122 HydrophobicContact CE-CB 3.71Å; M45-A122 HydrophobicContact CG-CB 4.03Å; M45-A122 HydrophobicContact SD-CB 4.01Å; M45-L132 HydrophobicContact CB-CD2 4.12Å; M45-E135 VanDerWaalsContact CB-OE2 3.26Å; M45-E135 WeakPolarHBondContact CB-OE2 3.27Å; M45-E135 HydrophobicContact CE-CB 4.08Å; M45-E135 PolarHBondContact N-OE2 3.25Å; M45-M136 HydrophobicContact CE-CB 4.01Å; M45-M136 HydrophobicContact CE-SD 3.84Å; M45-L139 HydrophobicContact CE-CD2 4.33Å; M45-L139 HydrophobicContact SD-CD2 4.11Å |
| 46 | F | 82.7 | Confident | 88.3 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 7.5 | -178 | -60 | -51.4 | 0 | 0 | 0 | 115 | L42 G48 I49 A115 V119 F180 | L42-F46 HydrophobicContact CB-CD2 3.56Å; L42-F46 HydrophobicContact CB-CE2 3.44Å; L42-F46 VanDerWaalsContact CB-CE2 3.44Å; L42-F46 HydrophobicContact CD1-CE2 3.59Å; L42-F46 HydrophobicContact CD1-CZ 4.32Å; L42-F46 HydrophobicContact CG-CE2 4.15Å; L42-F46 WeakPolarHBondContact O-CD2 3.37Å; L42-F46 PolarHBondContact O-N 3.4Å; F46-G48 PolarHBondContact O-N 2.94Å; F46-G48 VanDerWaalsContact O-N 3.11Å; F46-I49 VanDerWaalsContact O-CB 3.29Å; F46-I49 WeakPolarHBondContact O-CB 3.4Å; F46-I49 VanDerWaalsContact O-CG1 3.23Å; F46-I49 WeakPolarHBondContact O-CG1 3.43Å; F46-I49 PolarHBondContact O-N 2.85Å; F46-A115 HydrophobicContact CD1-CB 3.96Å; F46-A115 HydrophobicContact CE1-CB 3.57Å; F46-A115 HydrophobicContact CZ-CB 4.36Å; F46-V119 HydrophobicContact CE1-CG2 4.1Å; F46-V119 HydrophobicContact CZ-CG2 4.28Å; F46-F180 HydrophobicContact CD2-CE1 4.33Å; F46-F180 HydrophobicContact CD2-CZ 4.25Å; F46-F180 HydrophobicContact CE1-CD1 4.44Å; F46-F180 HydrophobicContact CE1-CE1 4.03Å; F46-F180 HydrophobicContact CE2-CD1 4.2Å; F46-F180 AromaticContact CE2-CE1 3.36Å; F46-F180 HydrophobicContact CE2-CE1 3.36Å; F46-F180 HydrophobicContact CE2-CE2 4.13Å; F46-F180 AromaticContact CE2-CZ 3.32Å; F46-F180 HydrophobicContact CE2-CZ 3.32Å; F46-F180 AromaticContact CZ-CD1 3.64Å; F46-F180 HydrophobicContact CZ-CD1 3.64Å; F46-F180 AromaticContact CZ-CE1 3.18Å; F46-F180 HydrophobicContact CZ-CE1 3.18Å; F46-F180 HydrophobicContact CZ-CE2 4.44Å; F46-F180 HydrophobicContact CZ-CG 4.41Å; F46-F180 AromaticContact CZ-CZ 3.66Å; F46-F180 HydrophobicContact CZ-CZ 3.66Å |
| 47 | S | 80 | Confident | 88.4 | Confident | 99 Ų | 99 | 43.3 Ų | 43.3 | 69% | 0.692 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 32.9 | -179.3 | -57.4 | 0 | 0 | 0 | 0 | 113.4 | A43 K44 M45 I49 | A43-S47 WeakPolarHBondContact O-CA 3.3Å; A43-S47 PolarHBondContact O-N 2.88Å; K44-S47 PolarHBondContact O-N 3.46Å; M45-S47 VanDerWaalsContact C-N 3.33Å; M45-S47 PolarHBondContact O-N 2.98Å; S47-I49 PolarHBondContact O-N 2.99Å |
| 48 | G | 75.5 | Confident | 88.6 | Confident | 52 Ų | 52 | 39.4 Ų | 39.4 | 54% | 0.536 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 6.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | A43 F46 T50 | A43-G48 PolarHBondContact O-N 3.16Å; F46-G48 PolarHBondContact O-N 2.94Å; F46-G48 VanDerWaalsContact O-N 3.11Å; G48-T50 PolarHBondContact O-N 3.28Å |
| 49 | I | 81.8 | Confident | 88.9 | Confident | 75 Ų | 75 | 44 Ų | 44 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | trans | -67.4 | 127.6 | 175 | -57.1 | 170.9 | 0 | 0 | 0 | 108 | F46 S47 F111 A114 | F46-I49 VanDerWaalsContact O-CB 3.29Å; F46-I49 WeakPolarHBondContact O-CB 3.4Å; F46-I49 VanDerWaalsContact O-CG1 3.23Å; F46-I49 WeakPolarHBondContact O-CG1 3.43Å; F46-I49 PolarHBondContact O-N 2.85Å; S47-I49 PolarHBondContact O-N 2.99Å; I49-F111 HydrophobicContact CG2-CD2 3.68Å; I49-F111 HydrophobicContact CG2-CE2 4.07Å; I49-F111 WeakPolarHBondContact O-CE2 3.31Å; I49-A114 HydrophobicContact CD1-CB 3.72Å | ||
| 50 | T | 86.6 | Confident | 89.2 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 24% | 0.239 | 25% | 0.252 | C | S | . | . | trans | -135.7 | 137.2 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 109.3 | L36 I39 G48 V52 I54 | L36-T50 HydrophobicContact CD1-CG2 4.24Å; I39-T50 HydrophobicContact CD1-CG2 3.98Å; I39-T50 HydrophobicContact CG2-CG2 4.31Å; G48-T50 PolarHBondContact O-N 3.28Å; T50-V52 PolarHBondContact O-N 2.76Å; T50-I54 HydrophobicContact CG2-CB 4.41Å | ||
| 51 | P | 90.2 | Very high | 89.6 | Confident | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -58 | 124.5 | 172.5 | -20 | 32.3 | 0 | 0 | 0 | 110.4 | I39 I53 I54 P55 F111 I188 | I39-P51 HydrophobicContact CD1-CG 4.4Å; P51-I53 HydrophobicContact CB-CG2 4.3Å; P51-I53 PolarHBondContact O-N 2.98Å; P51-I54 HydrophobicContact CB-CD1 4.18Å; P51-I54 HydrophobicContact CB-CG1 4.44Å; P51-I54 HydrophobicContact CG-CD1 3.95Å; P51-I54 PolarHBondContact O-N 3.48Å; P51-P55 VanDerWaalsContact O-CD 3.25Å; P51-P55 WeakPolarHBondContact O-CD 3.33Å; P51-F111 HydrophobicContact CG-CD1 4.08Å; P51-F111 HydrophobicContact CG-CD2 3.71Å; P51-F111 HydrophobicContact CG-CE1 4.19Å; P51-F111 HydrophobicContact CG-CE2 3.8Å; P51-F111 HydrophobicContact CG-CG 3.89Å; P51-F111 HydrophobicContact CG-CZ 4.04Å; P51-I188 HydrophobicContact CB-CD1 4.17Å; P51-I188 HydrophobicContact CG-CD1 4.37Å | ||
| 52 | V | 92.4 | Very high | 90.1 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 38% | 0.382 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.2 | -171.7 | -176.8 | 0 | 0 | 0 | 0 | 112.9 | T50 I54 P55 T56 I100 | T50-V52 PolarHBondContact O-N 2.76Å; V52-I54 VanDerWaalsContact C-N 3.29Å; V52-I54 PolarHBondContact O-N 3.49Å; V52-P55 WeakPolarHBondContact O-CD 3.42Å; V52-T56 WeakPolarHBondContact O-CB 3.35Å; V52-T56 PolarHBondContact O-N 2.86Å; V52-T56 PolarHBondContact O-OG1 3.22Å; V52-I100 HydrophobicContact CG1-CD1 3.95Å |
| 53 | I | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -32 | 178.6 | -164.5 | 164.3 | 0 | 0 | 0 | 113.9 | P51 T56 A57 I100 T104 I188 L191 I192 F195 | P51-I53 HydrophobicContact CB-CG2 4.3Å; P51-I53 PolarHBondContact O-N 2.98Å; I53-T56 PolarHBondContact O-N 3.43Å; I53-A57 VanDerWaalsContact O-CB 3.3Å; I53-A57 WeakPolarHBondContact O-CB 3.42Å; I53-A57 PolarHBondContact O-N 3.01Å; I53-I100 HydrophobicContact CB-CG2 4.01Å; I53-I100 HydrophobicContact CG1-CG2 3.93Å; I53-T104 HydrophobicContact CB-CG2 4Å; I53-T104 WeakPolarHBondContact CB-OG1 3.48Å; I53-T104 HydrophobicContact CD1-CG2 4.14Å; I53-T104 HydrophobicContact CG2-CG2 3.9Å; I53-I188 HydrophobicContact CG2-CG1 3.92Å; I53-L191 HydrophobicContact CD1-CB 3.75Å; I53-L191 HydrophobicContact CG1-CB 4.13Å; I53-L191 HydrophobicContact CG1-CD1 4.14Å; I53-L191 HydrophobicContact CG2-CD1 4.35Å; I53-I192 HydrophobicContact CD1-CD1 4.49Å; I53-I192 HydrophobicContact CD1-CG1 3.64Å; I53-F195 HydrophobicContact CD1-CD2 4.48Å; I53-F195 HydrophobicContact CD1-CE2 4.21Å; I53-F195 HydrophobicContact CG1-CE2 3.98Å |
| 54 | I | 94.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -59.1 | -173.8 | -67.4 | 173.7 | 0 | 0 | 0 | 111.8 | A35 L36 I39 T50 P51 V52 T56 A57 I58 L184 | A35-I54 HydrophobicContact CB-CD1 3.92Å; A35-I54 HydrophobicContact CB-CG1 4.22Å; A35-I54 HydrophobicContact CB-CG2 3.92Å; L36-I54 HydrophobicContact CB-CG2 3.9Å; I39-I54 HydrophobicContact CD1-CD1 3.36Å; T50-I54 HydrophobicContact CG2-CB 4.41Å; P51-I54 HydrophobicContact CB-CD1 4.18Å; P51-I54 HydrophobicContact CB-CG1 4.44Å; P51-I54 HydrophobicContact CG-CD1 3.95Å; P51-I54 PolarHBondContact O-N 3.48Å; V52-I54 VanDerWaalsContact C-N 3.29Å; V52-I54 PolarHBondContact O-N 3.49Å; I54-T56 PolarHBondContact O-N 2.92Å; I54-A57 PolarHBondContact O-N 3.22Å; I54-I58 PolarHBondContact O-N 2.99Å; I54-L184 HydrophobicContact CD1-CD2 4.26Å |
| 55 | P | 94.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 33.1 Ų | 33.1 | 36% | 0.357 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.7 | -30.9 | 176.1 | 25.8 | -33.9 | 0 | 0 | 0 | 111.7 | P51 V52 I58 F59 | P51-P55 VanDerWaalsContact O-CD 3.25Å; P51-P55 WeakPolarHBondContact O-CD 3.33Å; V52-P55 WeakPolarHBondContact O-CD 3.42Å; P55-I58 WeakPolarHBondContact O-CB 3.27Å; P55-I58 PolarHBondContact O-N 2.73Å; P55-F59 PolarHBondContact O-N 3.35Å; P55-F59 VanDerWaalsContact O-N 3.15Å |
| 56 | T | 95.9 | Very high | 92.8 | Very high | 22 Ų | 22 | 36.5 Ų | 36.5 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.7 | -32.3 | 179 | -48.6 | 0 | 0 | 0 | 0 | 112.7 | V52 I53 I54 I58 F59 I60 I96 I100 | V52-T56 WeakPolarHBondContact O-CB 3.35Å; V52-T56 PolarHBondContact O-N 2.86Å; V52-T56 PolarHBondContact O-OG1 3.22Å; I53-T56 PolarHBondContact O-N 3.43Å; I54-T56 PolarHBondContact O-N 2.92Å; T56-I58 VanDerWaalsContact C-N 3.28Å; T56-I58 PolarHBondContact O-N 3.42Å; T56-F59 PolarHBondContact O-N 3.4Å; T56-I60 HydrophobicContact CG2-CD1 3.77Å; T56-I60 HydrophobicContact CG2-CG1 4.12Å; T56-I60 WeakPolarHBondContact O-CB 3.39Å; T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.48Å; T56-I60 PolarHBondContact O-N 3.33Å; T56-I96 HydrophobicContact CG2-CG2 3.64Å; T56-I100 HydrophobicContact CG2-CB 4.4Å; T56-I100 HydrophobicContact CG2-CD1 3.78Å; T56-I100 HydrophobicContact CG2-CG1 3.53Å; T56-I100 HydrophobicContact CG2-CG2 4.33Å |
| 57 | A | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -39.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I53 I54 G61 L191 F195 | I53-A57 VanDerWaalsContact O-CB 3.3Å; I53-A57 WeakPolarHBondContact O-CB 3.42Å; I53-A57 PolarHBondContact O-N 3.01Å; I54-A57 PolarHBondContact O-N 3.22Å; A57-G61 PolarHBondContact O-N 3.22Å; A57-L191 HydrophobicContact CB-CD1 4.15Å; A57-L191 HydrophobicContact CB-CD2 3.86Å; A57-F195 HydrophobicContact CB-CZ 4.16Å |
| 58 | I | 97.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 31.6 Ų | 31.6 | 17% | 0.174 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 174.1 | -56.6 | 175.7 | 0 | 0 | 0 | 110 | L29 I33 L36 I54 P55 T56 I60 G61 C62 | L29-I58 HydrophobicContact CD2-CB 4.38Å; L29-I58 HydrophobicContact CD2-CG2 3.66Å; L29-I58 WeakPolarHBondContact CD2-O 3.23Å; I33-I58 HydrophobicContact CG1-CD1 4.03Å; I33-I58 HydrophobicContact CG1-CG1 4.34Å; L36-I58 HydrophobicContact CB-CD1 4.25Å; L36-I58 HydrophobicContact CD2-CD1 3.64Å; I54-I58 PolarHBondContact O-N 2.99Å; P55-I58 WeakPolarHBondContact O-CB 3.27Å; P55-I58 PolarHBondContact O-N 2.73Å; T56-I58 VanDerWaalsContact C-N 3.28Å; T56-I58 PolarHBondContact O-N 3.42Å; I58-I60 PolarHBondContact O-N 2.93Å; I58-G61 PolarHBondContact O-N 3.32Å; I58-C62 PolarHBondContact O-N 2.83Å |
| 59 | F | 97.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 34 Ų | 34 | 52% | 0.518 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60 | -47.3 | 179.3 | 180 | -99.2 | 0 | 0 | 0 | 112.5 | P55 T56 G61 C62 L63 I96 | P55-F59 PolarHBondContact O-N 3.35Å; P55-F59 VanDerWaalsContact O-N 3.15Å; T56-F59 PolarHBondContact O-N 3.4Å; F59-G61 VanDerWaalsContact C-N 3.34Å; F59-G61 PolarHBondContact O-N 3.3Å; F59-C62 PolarHBondContact O-N 3.49Å; F59-L63 HydrophobicContact CE1-CD2 4.39Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 2.89Å; F59-I96 HydrophobicContact CD1-CD1 4.32Å; F59-I96 HydrophobicContact CE1-CD1 3.77Å |
| 60 | I | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 176.4 | -68.5 | 161.9 | 0 | 0 | 0 | 110.4 | L28 T56 I58 C62 L63 I64 A93 I96 E97 F195 | L28-I60 HydrophobicContact CD1-CB 4.41Å; L28-I60 HydrophobicContact CD1-CG2 3.85Å; T56-I60 HydrophobicContact CG2-CD1 3.77Å; T56-I60 HydrophobicContact CG2-CG1 4.12Å; T56-I60 WeakPolarHBondContact O-CB 3.39Å; T56-I60 VanDerWaalsContact O-CG1 3.31Å; T56-I60 WeakPolarHBondContact O-CG1 3.48Å; T56-I60 PolarHBondContact O-N 3.33Å; I58-I60 PolarHBondContact O-N 2.93Å; I60-C62 PolarHBondContact O-N 2.96Å; I60-L63 PolarHBondContact O-N 3.49Å; I60-L63 VanDerWaalsContact O-N 3.16Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.15Å; I60-I64 WeakPolarHBondContact O-CB 3.38Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.27Å; I60-I64 PolarHBondContact O-N 3.33Å; I60-A93 HydrophobicContact CG2-CB 4.5Å; I60-I96 HydrophobicContact CD1-CB 4.46Å; I60-I96 HydrophobicContact CD1-CG2 3.85Å; I60-I96 HydrophobicContact CG1-CB 4.38Å; I60-I96 HydrophobicContact CG1-CG2 3.91Å; I60-E97 HydrophobicContact CD1-CG 3.85Å; I60-E97 HydrophobicContact CG2-CG 4.09Å; I60-F195 HydrophobicContact CD1-CE1 4.03Å; I60-F195 HydrophobicContact CD1-CE2 3.91Å; I60-F195 HydrophobicContact CD1-CZ 3.46Å; I60-F195 VanDerWaalsContact CD1-CZ 3.46Å |
| 61 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.2 | -49.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A57 I58 F59 I64 L65 | A57-G61 PolarHBondContact O-N 3.22Å; I58-G61 PolarHBondContact O-N 3.32Å; F59-G61 VanDerWaalsContact C-N 3.34Å; F59-G61 PolarHBondContact O-N 3.3Å; G61-I64 PolarHBondContact O-N 2.87Å; G61-L65 WeakPolarHBondContact O-CG 3.24Å; G61-L65 PolarHBondContact O-N 3.06Å |
| 62 | C | 98.2 | Very high | 96.8 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 41% | 0.412 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 172.9 | -75.3 | 0 | 0 | 0 | 0 | 112.4 | I58 F59 I60 I64 L65 V66 | I58-C62 PolarHBondContact O-N 2.83Å; F59-C62 PolarHBondContact O-N 3.49Å; I60-C62 PolarHBondContact O-N 2.96Å; C62-I64 VanDerWaalsContact C-N 3.31Å; C62-I64 PolarHBondContact O-N 3.5Å; C62-L65 PolarHBondContact O-N 3.3Å; C62-V66 WeakPolarHBondContact O-CG2 3.35Å; C62-V66 PolarHBondContact O-N 2.92Å |
| 63 | L | 98.1 | Very high | 96.9 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 13% | 0.131 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.7 | -40.4 | -178.5 | -179.2 | 62.3 | 0 | 0 | 0 | 111.9 | F59 I60 G67 C89 L92 A93 I96 | F59-L63 HydrophobicContact CE1-CD2 4.39Å; F59-L63 WeakPolarHBondContact O-CB 3.21Å; F59-L63 PolarHBondContact O-N 2.89Å; I60-L63 PolarHBondContact O-N 3.49Å; I60-L63 VanDerWaalsContact O-N 3.16Å; L63-G67 PolarHBondContact O-N 3.29Å; L63-C89 HydrophobicContact CD1-CB 4.31Å; L63-L92 HydrophobicContact CD1-CD2 4.37Å; L63-L92 HydrophobicContact CD2-CB 4.18Å; L63-L92 HydrophobicContact CD2-CD2 3.93Å; L63-L92 HydrophobicContact CD2-CG 3.88Å; L63-A93 HydrophobicContact CD2-CB 4.01Å; L63-A93 HydrophobicContact CG-CB 4.46Å; L63-I96 HydrophobicContact CD2-CD1 4.27Å |
| 64 | I | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.4 | -42.2 | 177 | -68.6 | 173.9 | 0 | 0 | 0 | 111 | F21 F24 L28 I60 G61 C62 G67 T68 A93 K202 | F21-I64 HydrophobicContact CB-CG2 3.96Å; F21-I64 VanDerWaalsContact O-CG2 3.27Å; F21-I64 WeakPolarHBondContact O-CG2 3.48Å; F24-I64 HydrophobicContact CD1-CD1 3.59Å; F24-I64 HydrophobicContact CE1-CD1 3.4Å; L28-I64 HydrophobicContact CD1-CD1 4.39Å; I60-I64 HydrophobicContact CG2-CD1 3.58Å; I60-I64 HydrophobicContact CG2-CG1 4.15Å; I60-I64 WeakPolarHBondContact O-CB 3.38Å; I60-I64 VanDerWaalsContact O-CG1 3.29Å; I60-I64 WeakPolarHBondContact O-CG1 3.27Å; I60-I64 PolarHBondContact O-N 3.33Å; G61-I64 PolarHBondContact O-N 2.87Å; C62-I64 VanDerWaalsContact C-N 3.31Å; C62-I64 PolarHBondContact O-N 3.5Å; I64-G67 PolarHBondContact O-N 3.21Å; I64-T68 HydrophobicContact CG2-CG2 4.26Å; I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 VanDerWaalsContact O-CG2 3.27Å; I64-T68 WeakPolarHBondContact O-CG2 3.41Å; I64-T68 PolarHBondContact O-N 3.38Å; I64-T68 PolarHBondContact O-OG1 3.41Å; I64-A93 HydrophobicContact CD1-CB 4.38Å; I64-A93 HydrophobicContact CG1-CB 3.89Å; I64-K202 HydrophobicContact CD1-CD 4.34Å |
| 65 | L | 98.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 37 Ų | 37 | 18% | 0.178 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 176.4 | -70.8 | 172.6 | 0 | 0 | 0 | 111.8 | V22 I26 L29 G61 C62 G67 T68 I69 | V22-L65 HydrophobicContact CB-CD2 4.37Å; V22-L65 HydrophobicContact CG1-CD2 3.97Å; I26-L65 HydrophobicContact CG1-CD2 4.17Å; L29-L65 HydrophobicContact CD1-CD1 3.46Å; L29-L65 VanDerWaalsContact CD1-CD1 3.46Å; G61-L65 WeakPolarHBondContact O-CG 3.24Å; G61-L65 PolarHBondContact O-N 3.06Å; C62-L65 PolarHBondContact O-N 3.3Å; L65-G67 PolarHBondContact O-N 3.38Å; L65-T68 WeakPolarHBondContact CA-OG1 3.37Å; L65-T68 PolarHBondContact O-N 2.82Å; L65-T68 PolarHBondContact O-OG1 3.21Å; L65-I69 WeakPolarHBondContact O-CD1 3.4Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 3.26Å |
| 66 | V | 98 | Very high | 96.3 | Very high | 77 Ų | 77 | 44.3 Ų | 44.3 | 47% | 0.467 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 174.5 | 171.6 | 0 | 0 | 0 | 0 | 110.5 | C62 T68 I69 I70 | C62-V66 WeakPolarHBondContact O-CG2 3.35Å; C62-V66 PolarHBondContact O-N 2.92Å; V66-T68 PolarHBondContact O-N 2.86Å; V66-I69 PolarHBondContact O-N 3.33Å; V66-I70 HydrophobicContact CG1-CD1 3.68Å; V66-I70 WeakPolarHBondContact O-CD1 3.17Å; V66-I70 VanDerWaalsContact O-CG1 3.23Å; V66-I70 WeakPolarHBondContact O-CG1 3.29Å; V66-I70 PolarHBondContact O-N 2.85Å |
| 67 | G | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L63 I64 L65 I70 G71 H86 | L63-G67 PolarHBondContact O-N 3.29Å; I64-G67 PolarHBondContact O-N 3.21Å; L65-G67 PolarHBondContact O-N 3.38Å; G67-I70 PolarHBondContact O-N 2.99Å; G67-G71 PolarHBondContact O-N 3.37Å; G67-H86 PolarHBondContact O-ND1 3.21Å |
| 68 | T | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -72.5 | -37.6 | 178.9 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | F21 V22 I64 L65 V66 G71 Y72 | F21-T68 HydrophobicContact CB-CG2 3.59Å; V22-T68 HydrophobicContact CG2-CG2 4.18Å; V22-T68 WeakPolarHBondContact CG2-OG1 3.36Å; I64-T68 HydrophobicContact CG2-CG2 4.26Å; I64-T68 WeakPolarHBondContact O-CB 3.45Å; I64-T68 VanDerWaalsContact O-CG2 3.27Å; I64-T68 WeakPolarHBondContact O-CG2 3.41Å; I64-T68 PolarHBondContact O-N 3.38Å; I64-T68 PolarHBondContact O-OG1 3.41Å; L65-T68 WeakPolarHBondContact CA-OG1 3.37Å; L65-T68 PolarHBondContact O-N 2.82Å; L65-T68 PolarHBondContact O-OG1 3.21Å; V66-T68 PolarHBondContact O-N 2.86Å; T68-G71 CarbonylContact O-C 3.59Å; T68-G71 WeakPolarHBondContact O-CA 3.36Å; T68-G71 PolarHBondContact O-N 3.12Å; T68-G71 VanDerWaalsContact O-N 3.13Å; T68-Y72 VanDerWaalsContact O-CD2 3.24Å; T68-Y72 WeakPolarHBondContact O-CD2 3.46Å; T68-Y72 PolarHBondContact O-N 3.04Å |
| 69 | I | 97.1 | Very high | 94.9 | Very high | 101 Ų | 101 | 60.1 Ų | 60.1 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 171.6 | -69.7 | 165 | 0 | 0 | 0 | 110.2 | L65 V66 G71 Y72 I73 | L65-I69 WeakPolarHBondContact O-CD1 3.4Å; L65-I69 VanDerWaalsContact O-CG1 3.24Å; L65-I69 WeakPolarHBondContact O-CG1 3.38Å; L65-I69 PolarHBondContact O-N 3.26Å; V66-I69 PolarHBondContact O-N 3.33Å; I69-G71 VanDerWaalsContact C-N 3.25Å; I69-G71 PolarHBondContact O-N 2.87Å; I69-Y72 PolarHBondContact O-N 3.44Å; I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 WeakPolarHBondContact O-CG1 3.45Å; I69-I73 PolarHBondContact O-N 2.83Å |
| 70 | I | 96.9 | Very high | 94.5 | Very high | 26 Ų | 26 | 58.4 Ų | 58.4 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 174.9 | -65.9 | 162.9 | 0 | 0 | 0 | 110.5 | V66 G67 I73 G74 I82 L85 H86 | V66-I70 HydrophobicContact CG1-CD1 3.68Å; V66-I70 WeakPolarHBondContact O-CD1 3.17Å; V66-I70 VanDerWaalsContact O-CG1 3.23Å; V66-I70 WeakPolarHBondContact O-CG1 3.29Å; V66-I70 PolarHBondContact O-N 2.85Å; G67-I70 PolarHBondContact O-N 2.99Å; I70-I73 PolarHBondContact O-N 3.5Å; I70-G74 PolarHBondContact O-N 3.5Å; I70-I82 HydrophobicContact CG2-CG2 3.88Å; I70-I82 WeakPolarHBondContact CG2-O 3.49Å; I70-I82 WeakPolarHBondContact O-CG2 3.21Å; I70-L85 HydrophobicContact CD1-CD2 3.73Å; I70-L85 HydrophobicContact CD1-CG 3.95Å; I70-L85 HydrophobicContact CG1-CD2 4.35Å; I70-L85 HydrophobicContact CG2-CB 4.04Å; I70-L85 HydrophobicContact CG2-CD2 3.95Å; I70-L85 HydrophobicContact CG2-CG 4.01Å; I70-H86 HydrophobicContact CG2-CB 4.13Å |
| 71 | G | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 65.7 Ų | 65.7 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.5 | -51.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F14 G67 T68 I69 I73 G74 F75 H86 | F14-G71 WeakPolarHBondContact CZ-O 3.43Å; G67-G71 PolarHBondContact O-N 3.37Å; T68-G71 CarbonylContact O-C 3.59Å; T68-G71 WeakPolarHBondContact O-CA 3.36Å; T68-G71 PolarHBondContact O-N 3.12Å; T68-G71 VanDerWaalsContact O-N 3.13Å; I69-G71 VanDerWaalsContact C-N 3.25Å; I69-G71 PolarHBondContact O-N 2.87Å; G71-I73 PolarHBondContact O-N 2.91Å; G71-G74 CarbonylContact O-C 3.38Å; G71-G74 PolarHBondContact O-N 3.49Å; G71-G74 VanDerWaalsContact O-N 3.14Å; G71-F75 PolarHBondContact O-N 3.39Å; G71-H86 VanDerWaalsContact CA-ND1 3.34Å; G71-H86 WeakPolarHBondContact CA-ND1 3.37Å |
| 72 | Y | 96.2 | Very high | 94.1 | Very high | 60 Ų | 60 | 67.2 Ų | 67.2 | 24% | 0.235 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.8 | -76.7 | -63.5 | 0 | 0 | 0 | 111.4 | I15 N18 S19 V22 T68 I69 G74 F75 W76 | I15-Y72 PolarHBondContact O-OH 3.41Å; N18-Y72 HydrophobicContact CB-CE1 4.46Å; N18-Y72 HydrophobicContact CB-CE2 4.01Å; S19-Y72 PolarHBondContact N-OH 3.29Å; S19-Y72 VanDerWaalsContact N-OH 3.16Å; S19-Y72 PolarHBondContact OG-OH 3.42Å; V22-Y72 HydrophobicContact CG2-CE2 4.29Å; T68-Y72 VanDerWaalsContact O-CD2 3.24Å; T68-Y72 WeakPolarHBondContact O-CD2 3.46Å; T68-Y72 PolarHBondContact O-N 3.04Å; I69-Y72 PolarHBondContact O-N 3.44Å; Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.11Å; Y72-F75 WeakPolarHBondContact O-CB 3.5Å; Y72-F75 PolarHBondContact O-N 2.91Å; Y72-F75 VanDerWaalsContact O-N 3.1Å; Y72-W76 PolarHBondContact O-N 3.23Å |
| 73 | I | 95 | Very high | 93.8 | Very high | 84 Ų | 84 | 67 Ų | 67 | 43% | 0.431 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 174.7 | -64.9 | 165.8 | 0 | 0 | 0 | 110.9 | I69 I70 G71 F75 W76 K77 I82 | I69-I73 HydrophobicContact CG2-CD1 3.99Å; I69-I73 WeakPolarHBondContact O-CG1 3.45Å; I69-I73 PolarHBondContact O-N 2.83Å; I70-I73 PolarHBondContact O-N 3.5Å; G71-I73 PolarHBondContact O-N 2.91Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.89Å; I73-W76 PolarHBondContact O-N 3.02Å; I73-K77 PolarHBondContact O-N 3.5Å; I73-I82 HydrophobicContact CB-CG2 4.46Å; I73-I82 HydrophobicContact CG2-CD1 4.15Å; I73-I82 HydrophobicContact CG2-CG2 4.28Å |
| 74 | G | 91.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 69.8 Ų | 69.8 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.9 | -31.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | I70 G71 Y72 K77 P78 I82 | I70-G74 PolarHBondContact O-N 3.5Å; G71-G74 CarbonylContact O-C 3.38Å; G71-G74 PolarHBondContact O-N 3.49Å; G71-G74 VanDerWaalsContact O-N 3.14Å; Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.11Å; G74-K77 CarbonylContact O-C 3.46Å; G74-P78 VanDerWaalsContact O-CA 3.3Å; G74-P78 WeakPolarHBondContact O-CA 3.04Å; G74-I82 VanDerWaalsContact CA-CG2 3.42Å |
| 75 | F | 90.7 | Very high | 93.5 | Very high | 72 Ų | 72 | 73.1 Ų | 73.1 | 32% | 0.316 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.1 | -41.5 | 174.2 | -179.1 | -97.7 | 0 | 0 | 0 | 112.1 | N11 F14 I15 G71 Y72 I73 | N11-F75 HydrophobicContact CB-CE2 3.95Å; N11-F75 HydrophobicContact CB-CZ 4.25Å; F14-F75 HydrophobicContact CD1-CB 4.32Å; F14-F75 AromaticContact CD1-CD2 3.64Å; F14-F75 HydrophobicContact CD1-CD2 3.64Å; F14-F75 HydrophobicContact CD1-CE2 4.26Å; F14-F75 HydrophobicContact CD1-CG 4.15Å; F14-F75 HydrophobicContact CE1-CB 3.65Å; F14-F75 AromaticContact CE1-CD2 3.87Å; F14-F75 HydrophobicContact CE1-CD2 3.87Å; F14-F75 AromaticContact CE1-CG 3.96Å; F14-F75 HydrophobicContact CE1-CG 3.96Å; F14-F75 HydrophobicContact CG-CD2 4.38Å; F14-F75 HydrophobicContact CZ-CB 4.18Å; I15-F75 HydrophobicContact CD1-CE1 4.18Å; I15-F75 HydrophobicContact CD1-CE2 4.48Å; I15-F75 HydrophobicContact CD1-CZ 3.84Å; I15-F75 HydrophobicContact CG1-CE1 4.5Å; I15-F75 HydrophobicContact CG1-CE2 4.46Å; I15-F75 HydrophobicContact CG1-CZ 4.22Å; G71-F75 PolarHBondContact O-N 3.39Å; Y72-F75 WeakPolarHBondContact O-CB 3.5Å; Y72-F75 PolarHBondContact O-N 2.91Å; Y72-F75 VanDerWaalsContact O-N 3.1Å; I73-F75 VanDerWaalsContact C-N 3.31Å; I73-F75 PolarHBondContact O-N 2.89Å |
| 76 | W | 89.1 | Confident | 93.4 | Very high | 209 Ų | 209 | 71.7 Ų | 71.7 | 79% | 0.792 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -83 | -32.1 | 179.1 | -68.9 | 70.8 | 0 | 0 | 0 | 113 | Y72 I73 | Y72-W76 PolarHBondContact O-N 3.23Å; I73-W76 PolarHBondContact O-N 3.02Å |
| 77 | K | 89.3 | Confident | 93.4 | Very high | 144 Ų | 144 | 68.9 Ų | 68.9 | 63% | 0.626 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -125.9 | 85.4 | -179.5 | -65.3 | -176.7 | -178.7 | 177.6 | 0 | 109.4 | I73 G74 K79 | I73-K77 PolarHBondContact O-N 3.5Å; G74-K77 CarbonylContact O-C 3.46Å; K77-K79 PolarHBondContact O-N 3.46Å |
| 78 | P | 82.2 | Confident | 93.3 | Very high | 94 Ų | 94 | 71.3 Ų | 71.3 | 61% | 0.61 | 34% | 0.344 | S | S | * | . | trans | -75.3 | 63.5 | -169 | 31.6 | -37.3 | 0 | 0 | 0 | 113.5 | G74 | G74-P78 VanDerWaalsContact O-CA 3.3Å; G74-P78 WeakPolarHBondContact O-CA 3.04Å | ||
| 79 | K | 90.1 | Very high | 93.3 | Very high | 149 Ų | 149 | 72 Ų | 72 | 65% | 0.648 | 35% | 0.349 | S | S | * | . | trans | -82.9 | 131.9 | 167 | -65.9 | -169.3 | 176.7 | -173.6 | 0 | 109 | K77 F81 I82 I83 | K77-K79 PolarHBondContact O-N 3.46Å; K79-F81 PolarHBondContact O-N 3.48Å; K79-I82 HydrophobicContact CB-CD1 3.96Å; K79-I82 HydrophobicContact CB-CG1 4.04Å; K79-I82 HydrophobicContact CD-CD1 4.37Å; K79-I82 HydrophobicContact CG-CD1 4.37Å; K79-I82 PolarHBondContact O-N 2.94Å; K79-I83 PolarHBondContact O-N 3.43Å | ||
| 80 | Q | 89.4 | Confident | 93.3 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -52.4 | -43.1 | -178.6 | -74.8 | 174.6 | -18.1 | 0 | 0 | 112.3 | I82 I83 I84 F213 | Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.44Å; Q80-I83 PolarHBondContact O-N 3.16Å; Q80-I84 WeakPolarHBondContact O-CG1 3.22Å; Q80-I84 PolarHBondContact O-N 3.04Å; Q80-F213 HydrophobicContact CB-CE2 4.24Å; Q80-F213 HydrophobicContact CB-CZ 4.26Å; Q80-F213 HydrophobicContact CG-CE2 4.26Å; Q80-F213 HydrophobicContact CG-CZ 4.41Å |
| 81 | F | 93 | Very high | 93.4 | Very high | 153 Ų | 153 | 67.9 Ų | 67.9 | 67% | 0.671 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -57.3 | -40.1 | 178.3 | -179.1 | -101.6 | 0 | 0 | 0 | 113.6 | K79 I84 L85 | K79-F81 PolarHBondContact O-N 3.48Å; F81-I84 PolarHBondContact O-N 3Å; F81-L85 WeakPolarHBondContact O-CB 3.18Å; F81-L85 PolarHBondContact O-N 3.35Å |
| 82 | I | 93.7 | Very high | 93.4 | Very high | 32 Ų | 32 | 71.5 Ų | 71.5 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | -178 | -58.1 | 176.8 | 0 | 0 | 0 | 110.5 | I70 I73 G74 K79 Q80 L85 H86 | I70-I82 HydrophobicContact CG2-CG2 3.88Å; I70-I82 WeakPolarHBondContact CG2-O 3.49Å; I70-I82 WeakPolarHBondContact O-CG2 3.21Å; I73-I82 HydrophobicContact CB-CG2 4.46Å; I73-I82 HydrophobicContact CG2-CD1 4.15Å; I73-I82 HydrophobicContact CG2-CG2 4.28Å; G74-I82 VanDerWaalsContact CA-CG2 3.42Å; K79-I82 HydrophobicContact CB-CD1 3.96Å; K79-I82 HydrophobicContact CB-CG1 4.04Å; K79-I82 HydrophobicContact CD-CD1 4.37Å; K79-I82 HydrophobicContact CG-CD1 4.37Å; K79-I82 PolarHBondContact O-N 2.94Å; Q80-I82 VanDerWaalsContact C-N 3.32Å; Q80-I82 PolarHBondContact O-N 3.44Å; I82-L85 PolarHBondContact O-N 3.43Å; I82-H86 PolarHBondContact O-N 2.87Å |
| 83 | I | 92.2 | Very high | 93.5 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 176.7 | -60.3 | 171.8 | 0 | 0 | 0 | 110.6 | K79 Q80 L85 H86 I87 F213 | K79-I83 PolarHBondContact O-N 3.43Å; Q80-I83 PolarHBondContact O-N 3.16Å; I83-L85 VanDerWaalsContact C-N 3.31Å; I83-L85 PolarHBondContact O-N 2.92Å; I83-H86 WeakPolarHBondContact O-CB 3.25Å; I83-H86 PolarHBondContact O-N 2.98Å; I83-I87 HydrophobicContact CG2-CD1 4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 3.42Å; I83-F213 HydrophobicContact CB-CD2 4.29Å; I83-F213 HydrophobicContact CB-CE2 4.27Å; I83-F213 HydrophobicContact CG2-CD2 3.75Å; I83-F213 HydrophobicContact CG2-CE2 4.22Å |
| 84 | I | 94.7 | Very high | 93.6 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 43% | 0.431 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175 | -68.6 | 166.6 | 0 | 0 | 0 | 110.3 | Q80 F81 I87 A88 F213 | Q80-I84 WeakPolarHBondContact O-CG1 3.22Å; Q80-I84 PolarHBondContact O-N 3.04Å; F81-I84 PolarHBondContact O-N 3Å; I84-I87 PolarHBondContact O-N 3.32Å; I84-A88 VanDerWaalsContact O-CB 3.31Å; I84-A88 WeakPolarHBondContact O-CB 3.35Å; I84-A88 PolarHBondContact O-N 2.92Å; I84-F213 HydrophobicContact CD1-CE1 4.13Å; I84-F213 HydrophobicContact CD1-CZ 3.69Å; I84-F213 HydrophobicContact CG1-CE1 3.85Å; I84-F213 HydrophobicContact CG1-CE2 4.14Å; I84-F213 HydrophobicContact CG1-CZ 3.49Å; I84-F213 VanDerWaalsContact CG1-CZ 3.49Å |
| 85 | L | 96.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 69.9 Ų | 69.9 | 37% | 0.366 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 179.2 | -174.9 | 63.2 | 0 | 0 | 0 | 111.9 | I70 F81 I82 I83 I87 A88 C89 | I70-L85 HydrophobicContact CD1-CD2 3.73Å; I70-L85 HydrophobicContact CD1-CG 3.95Å; I70-L85 HydrophobicContact CG1-CD2 4.35Å; I70-L85 HydrophobicContact CG2-CB 4.04Å; I70-L85 HydrophobicContact CG2-CD2 3.95Å; I70-L85 HydrophobicContact CG2-CG 4.01Å; F81-L85 WeakPolarHBondContact O-CB 3.18Å; F81-L85 PolarHBondContact O-N 3.35Å; I82-L85 PolarHBondContact O-N 3.43Å; I83-L85 VanDerWaalsContact C-N 3.31Å; I83-L85 PolarHBondContact O-N 2.92Å; L85-I87 PolarHBondContact O-N 2.93Å; L85-A88 PolarHBondContact O-N 3.46Å; L85-C89 PolarHBondContact O-N 3.28Å; L85-C89 PolarHBondContact O-SG 3.24Å; L85-C89 VanDerWaalsContact O-SG 3.33Å |
| 86 | H | 96.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.019 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.8 | -49.5 | 173.3 | 168.9 | 65.7 | 0 | 0 | 0 | 112.2 | N18 G67 I70 G71 I82 I83 A88 C89 L90 Y205 | N18-H86 PolarHBondContact OD1-CE1 2.95Å; G67-H86 PolarHBondContact O-ND1 3.21Å; I70-H86 HydrophobicContact CG2-CB 4.13Å; G71-H86 VanDerWaalsContact CA-ND1 3.34Å; G71-H86 WeakPolarHBondContact CA-ND1 3.37Å; I82-H86 PolarHBondContact O-N 2.87Å; I83-H86 WeakPolarHBondContact O-CB 3.25Å; I83-H86 PolarHBondContact O-N 2.98Å; H86-A88 PolarHBondContact O-N 2.71Å; H86-C89 PolarHBondContact O-N 2.88Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.39Å; H86-L90 PolarHBondContact O-N 3.5Å; H86-Y205 AromaticContact NE2-CE1 3.51Å; H86-Y205 AromaticContact NE2-CZ 3.57Å; H86-Y205 PolarHBondContact NE2-OH 3.41Å |
| 87 | I | 96.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 58.1 Ų | 58.1 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 177.6 | -68.7 | 171.7 | 0 | 0 | 0 | 110.4 | I83 I84 L85 C89 L90 C91 L206 I210 F213 | I83-I87 HydrophobicContact CG2-CD1 4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 3.42Å; I84-I87 PolarHBondContact O-N 3.32Å; L85-I87 PolarHBondContact O-N 2.93Å; I87-C89 PolarHBondContact O-N 3.18Å; I87-L90 PolarHBondContact O-N 3.24Å; I87-C91 WeakPolarHBondContact O-CB 3.46Å; I87-C91 PolarHBondContact O-N 3.05Å; I87-C91 PolarHBondContact O-SG 3.44Å; I87-L206 HydrophobicContact CG2-CD2 4Å; I87-I210 HydrophobicContact CD1-CG1 4.39Å; I87-I210 HydrophobicContact CG2-CD1 4.19Å; I87-I210 HydrophobicContact CG2-CG1 3.85Å; I87-F213 HydrophobicContact CD1-CB 4.37Å |
| 88 | A | 97 | Very high | 94.7 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 41% | 0.413 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I84 L85 H86 L90 C91 L92 | I84-A88 VanDerWaalsContact O-CB 3.31Å; I84-A88 WeakPolarHBondContact O-CB 3.35Å; I84-A88 PolarHBondContact O-N 2.92Å; L85-A88 PolarHBondContact O-N 3.46Å; H86-A88 PolarHBondContact O-N 2.71Å; A88-L90 PolarHBondContact O-N 2.7Å; A88-C91 PolarHBondContact O-N 3Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.33Å |
| 89 | C | 97.6 | Very high | 95.3 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 10% | 0.101 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.2 | -71 | 0 | 0 | 0 | 0 | 112 | L63 L85 H86 I87 L92 A93 | L63-C89 HydrophobicContact CD1-CB 4.31Å; L85-C89 PolarHBondContact O-N 3.28Å; L85-C89 PolarHBondContact O-SG 3.24Å; L85-C89 VanDerWaalsContact O-SG 3.33Å; H86-C89 PolarHBondContact O-N 2.88Å; I87-C89 PolarHBondContact O-N 3.18Å; C89-L92 PolarHBondContact O-N 2.89Å; C89-A93 PolarHBondContact O-N 3.42Å |
| 90 | L | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.6 | -37.1 | 180 | -69.9 | -177.1 | 0 | 0 | 0 | 112.7 | F21 H86 I87 A88 L92 A93 V94 K202 Y205 L206 | F21-L90 HydrophobicContact CD2-CD1 4.41Å; F21-L90 HydrophobicContact CE2-CD1 4.43Å; H86-L90 WeakPolarHBondContact CE1-CD1 3.39Å; H86-L90 PolarHBondContact O-N 3.5Å; I87-L90 PolarHBondContact O-N 3.24Å; A88-L90 PolarHBondContact O-N 2.7Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-A93 PolarHBondContact O-N 2.99Å; L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 2.71Å; L90-K202 HydrophobicContact CD2-CD 4.43Å; L90-Y205 HydrophobicContact CD1-CD1 3.94Å; L90-Y205 HydrophobicContact CD1-CE1 3.51Å; L90-L206 HydrophobicContact CB-CD1 4.32Å; L90-L206 HydrophobicContact CB-CD2 3.82Å; L90-L206 HydrophobicContact CB-CG 4.33Å |
| 91 | C | 97.3 | Very high | 95.7 | Very high | 40 Ų | 40 | 45.6 Ų | 45.6 | 27% | 0.27 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 171.3 | -76.1 | 0 | 0 | 0 | 0 | 110.9 | I87 A88 A93 V94 I95 L206 | I87-C91 WeakPolarHBondContact O-CB 3.46Å; I87-C91 PolarHBondContact O-N 3.05Å; I87-C91 PolarHBondContact O-SG 3.44Å; A88-C91 PolarHBondContact O-N 3Å; C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.15Å; C91-V94 PolarHBondContact O-N 3.32Å; C91-I95 WeakPolarHBondContact O-CG1 3.31Å; C91-I95 PolarHBondContact O-N 3.5Å; C91-L206 HydrophobicContact CB-CD1 4.47Å |
| 92 | L | 97.6 | Very high | 95.6 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 42% | 0.419 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.2 | -178.7 | 62.3 | 0 | 0 | 0 | 111.2 | L63 A88 C89 L90 V94 I95 I96 | L63-L92 HydrophobicContact CD1-CD2 4.37Å; L63-L92 HydrophobicContact CD2-CB 4.18Å; L63-L92 HydrophobicContact CD2-CD2 3.93Å; L63-L92 HydrophobicContact CD2-CG 3.88Å; A88-L92 WeakPolarHBondContact O-CB 3.29Å; A88-L92 PolarHBondContact O-N 3.33Å; C89-L92 PolarHBondContact O-N 2.89Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L92-V94 PolarHBondContact O-N 3.48Å; L92-I95 PolarHBondContact O-N 2.84Å; L92-I96 HydrophobicContact CD1-CD1 3.97Å; L92-I96 HydrophobicContact CD1-CG1 4.25Å; L92-I96 HydrophobicContact CG-CD1 3.86Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 2.84Å |
| 93 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.7 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I60 L63 I64 C89 L90 C91 I95 I96 E97 | I60-A93 HydrophobicContact CG2-CB 4.5Å; L63-A93 HydrophobicContact CD2-CB 4.01Å; L63-A93 HydrophobicContact CG-CB 4.46Å; I64-A93 HydrophobicContact CD1-CB 4.38Å; I64-A93 HydrophobicContact CG1-CB 3.89Å; C89-A93 PolarHBondContact O-N 3.42Å; L90-A93 PolarHBondContact O-N 2.99Å; C91-A93 VanDerWaalsContact C-N 3.33Å; C91-A93 PolarHBondContact O-N 3.15Å; A93-I95 PolarHBondContact O-N 3.22Å; A93-I96 PolarHBondContact O-N 3.25Å; A93-E97 WeakPolarHBondContact O-CB 3.44Å; A93-E97 VanDerWaalsContact O-CG 3.26Å; A93-E97 WeakPolarHBondContact O-CG 3.16Å; A93-E97 PolarHBondContact O-N 3.49Å |
| 94 | V | 97.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 112.1 | L90 C91 L92 I96 E97 I98 K202 L206 | L90-V94 WeakPolarHBondContact O-CG2 3.28Å; L90-V94 PolarHBondContact O-N 2.71Å; C91-V94 PolarHBondContact O-N 3.32Å; L92-V94 PolarHBondContact O-N 3.48Å; V94-I96 VanDerWaalsContact C-N 3.34Å; V94-I96 PolarHBondContact O-N 3.33Å; V94-E97 PolarHBondContact O-N 3.42Å; V94-I98 HydrophobicContact CG1-CD1 3.84Å; V94-I98 WeakPolarHBondContact O-CG1 3.26Å; V94-I98 PolarHBondContact O-N 2.89Å; V94-I98 VanDerWaalsContact O-N 3.09Å; V94-K202 HydrophobicContact CG2-CB 3.65Å; V94-K202 HydrophobicContact CG2-CD 4.34Å; V94-L206 HydrophobicContact CG2-CD1 3.97Å |
| 95 | I | 97 | Very high | 95.2 | Very high | 103 Ų | 103 | 42.6 Ų | 42.6 | 53% | 0.528 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 178.9 | -67.8 | 165.2 | 0 | 0 | 0 | 110.8 | C91 L92 A93 S99 | C91-I95 WeakPolarHBondContact O-CG1 3.31Å; C91-I95 PolarHBondContact O-N 3.5Å; L92-I95 PolarHBondContact O-N 2.84Å; A93-I95 PolarHBondContact O-N 3.22Å; I95-S99 WeakPolarHBondContact O-CB 3.48Å; I95-S99 PolarHBondContact O-N 2.89Å; I95-S99 VanDerWaalsContact O-N 3.11Å; I95-S99 PolarHBondContact O-OG 3.05Å |
| 96 | I | 97.2 | Very high | 94.8 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 16% | 0.164 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 178.6 | -61.2 | 170.2 | 0 | 0 | 0 | 110.1 | T56 F59 I60 L63 L92 A93 V94 I98 S99 I100 | T56-I96 HydrophobicContact CG2-CG2 3.64Å; F59-I96 HydrophobicContact CD1-CD1 4.32Å; F59-I96 HydrophobicContact CE1-CD1 3.77Å; I60-I96 HydrophobicContact CD1-CB 4.46Å; I60-I96 HydrophobicContact CD1-CG2 3.85Å; I60-I96 HydrophobicContact CG1-CB 4.38Å; I60-I96 HydrophobicContact CG1-CG2 3.91Å; L63-I96 HydrophobicContact CD2-CD1 4.27Å; L92-I96 HydrophobicContact CD1-CD1 3.97Å; L92-I96 HydrophobicContact CD1-CG1 4.25Å; L92-I96 HydrophobicContact CG-CD1 3.86Å; L92-I96 VanDerWaalsContact O-CG1 3.27Å; L92-I96 WeakPolarHBondContact O-CG1 3.38Å; L92-I96 PolarHBondContact O-N 2.84Å; A93-I96 PolarHBondContact O-N 3.25Å; V94-I96 VanDerWaalsContact C-N 3.34Å; V94-I96 PolarHBondContact O-N 3.33Å; I96-I98 PolarHBondContact O-N 3.46Å; I96-S99 PolarHBondContact O-N 3.46Å; I96-I100 HydrophobicContact CG2-CG1 3.82Å; I96-I100 WeakPolarHBondContact O-CB 3.47Å; I96-I100 WeakPolarHBondContact O-CG1 3.47Å; I96-I100 PolarHBondContact O-N 3.3Å |
| 97 | E | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.8 | -48.4 | 177.6 | -77.2 | 172.7 | 173.6 | 0 | 0 | 112.3 | F24 I60 A93 V94 I100 A101 F195 K202 | F24-E97 WeakPolarHBondContact CE1-OE1 3.24Å; I60-E97 HydrophobicContact CD1-CG 3.85Å; I60-E97 HydrophobicContact CG2-CG 4.09Å; A93-E97 WeakPolarHBondContact O-CB 3.44Å; A93-E97 VanDerWaalsContact O-CG 3.26Å; A93-E97 WeakPolarHBondContact O-CG 3.16Å; A93-E97 PolarHBondContact O-N 3.49Å; V94-E97 PolarHBondContact O-N 3.42Å; E97-I100 PolarHBondContact O-N 3.06Å; E97-A101 VanDerWaalsContact O-CB 3.3Å; E97-A101 WeakPolarHBondContact O-CB 3.26Å; E97-A101 PolarHBondContact O-N 3.45Å; E97-F195 HydrophobicContact CB-CB 4.31Å; E97-F195 HydrophobicContact CB-CD2 4.3Å; E97-F195 HydrophobicContact CB-CG 4.2Å; E97-F195 HydrophobicContact CG-CB 4.4Å; E97-F195 HydrophobicContact CG-CD1 3.93Å; E97-F195 HydrophobicContact CG-CD2 4.29Å; E97-F195 HydrophobicContact CG-CE1 4.24Å; E97-F195 HydrophobicContact CG-CG 3.96Å; E97-K202 VanDerWaalsContact CD-CE 3.48Å; E97-K202 WeakPolarHBondContact OE1-CE 3.29Å; E97-K202 IonicContact OE1-NZ 2.7Å; E97-K202 PolarHBondContact OE1-NZ 3.2Å; E97-K202 WeakPolarHBondContact OE2-CE 3.42Å; E97-K202 IonicContact OE2-NZ 2.71Å; E97-K202 PolarHBondContact OE2-NZ 2.85Å |
| 98 | I | 93.1 | Very high | 93.6 | Very high | 104 Ų | 104 | 45.3 Ų | 45.3 | 53% | 0.533 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 179.8 | -65.5 | 168.3 | 0 | 0 | 0 | 110.6 | V94 I96 I100 T102 | V94-I98 HydrophobicContact CG1-CD1 3.84Å; V94-I98 WeakPolarHBondContact O-CG1 3.26Å; V94-I98 PolarHBondContact O-N 2.89Å; V94-I98 VanDerWaalsContact O-N 3.09Å; I96-I98 PolarHBondContact O-N 3.46Å; I98-I100 PolarHBondContact O-N 3.41Å; I98-T102 WeakPolarHBondContact O-CG2 3.32Å; I98-T102 PolarHBondContact O-N 3.49Å; I98-T102 PolarHBondContact O-OG1 3.3Å |
| 99 | S | 95.4 | Very high | 93 | Very high | 57 Ų | 57 | 50 Ų | 50 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | -179.6 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | I95 I96 T102 V103 | I95-S99 WeakPolarHBondContact O-CB 3.48Å; I95-S99 PolarHBondContact O-N 2.89Å; I95-S99 VanDerWaalsContact O-N 3.11Å; I95-S99 PolarHBondContact O-OG 3.05Å; I96-S99 PolarHBondContact O-N 3.46Å; S99-T102 PolarHBondContact O-N 2.96Å; S99-T102 PolarHBondContact O-OG1 3.29Å; S99-V103 WeakPolarHBondContact O-CB 3.27Å; S99-V103 VanDerWaalsContact O-CG2 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.27Å; S99-V103 PolarHBondContact O-N 3.46Å |
| 100 | I | 95.4 | Very high | 92.4 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.108 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.1 | -37.6 | -177.7 | -63.5 | -71.8 | 0 | 0 | 0 | 111.4 | V52 I53 T56 I96 E97 I98 T102 V103 T104 F195 | V52-I100 HydrophobicContact CG1-CD1 3.95Å; I53-I100 HydrophobicContact CB-CG2 4.01Å; I53-I100 HydrophobicContact CG1-CG2 3.93Å; T56-I100 HydrophobicContact CG2-CB 4.4Å; T56-I100 HydrophobicContact CG2-CD1 3.78Å; T56-I100 HydrophobicContact CG2-CG1 3.53Å; T56-I100 HydrophobicContact CG2-CG2 4.33Å; I96-I100 HydrophobicContact CG2-CG1 3.82Å; I96-I100 WeakPolarHBondContact O-CB 3.47Å; I96-I100 WeakPolarHBondContact O-CG1 3.47Å; I96-I100 PolarHBondContact O-N 3.3Å; E97-I100 PolarHBondContact O-N 3.06Å; I98-I100 PolarHBondContact O-N 3.41Å; I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 3.08Å; I100-V103 PolarHBondContact O-N 3.09Å; I100-T104 VanDerWaalsContact O-CB 3.27Å; I100-T104 WeakPolarHBondContact O-CB 3.35Å; I100-T104 PolarHBondContact O-N 2.88Å; I100-T104 PolarHBondContact O-OG1 3.33Å; I100-F195 HydrophobicContact CG2-CE2 4.2Å |
| 101 | A | 92 | Very high | 91.7 | Very high | 24 Ų | 24 | 57.7 Ų | 57.7 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E97 | E97-A101 VanDerWaalsContact O-CB 3.3Å; E97-A101 WeakPolarHBondContact O-CB 3.26Å; E97-A101 PolarHBondContact O-N 3.45Å |
| 102 | T | 90.9 | Very high | 91.2 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.9 | -45 | 178.1 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | I98 S99 I100 T104 V105 | I98-T102 WeakPolarHBondContact O-CG2 3.32Å; I98-T102 PolarHBondContact O-N 3.49Å; I98-T102 PolarHBondContact O-OG1 3.3Å; S99-T102 PolarHBondContact O-N 2.96Å; S99-T102 PolarHBondContact O-OG1 3.29Å; I100-T102 VanDerWaalsContact C-N 3.28Å; I100-T102 PolarHBondContact O-N 3.08Å; T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 2.88Å; T102-V105 PolarHBondContact O-N 2.94Å |
| 103 | V | 93.8 | Very high | 90.7 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 177.5 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | S99 I100 V105 T106 S107 | S99-V103 WeakPolarHBondContact O-CB 3.27Å; S99-V103 VanDerWaalsContact O-CG2 3.27Å; S99-V103 WeakPolarHBondContact O-CG2 3.27Å; S99-V103 PolarHBondContact O-N 3.46Å; I100-V103 PolarHBondContact O-N 3.09Å; V103-V105 VanDerWaalsContact C-N 3.35Å; V103-V105 PolarHBondContact O-N 3.45Å; V103-T106 PolarHBondContact O-N 3.33Å; V103-T106 PolarHBondContact O-OG1 2.78Å; V103-S107 WeakPolarHBondContact O-CB 3.35Å; V103-S107 PolarHBondContact O-N 3.36Å; V103-S107 PolarHBondContact O-OG 3.46Å |
| 104 | T | 92 | Very high | 90.1 | Very high | 6 Ų | 6 | 60.6 Ų | 60.6 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.1 | -38.9 | -177.6 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | I53 I100 T102 T106 S107 G108 I188 I192 | I53-T104 HydrophobicContact CB-CG2 4Å; I53-T104 WeakPolarHBondContact CB-OG1 3.48Å; I53-T104 HydrophobicContact CD1-CG2 4.14Å; I53-T104 HydrophobicContact CG2-CG2 3.9Å; I100-T104 VanDerWaalsContact O-CB 3.27Å; I100-T104 WeakPolarHBondContact O-CB 3.35Å; I100-T104 PolarHBondContact O-N 2.88Å; I100-T104 PolarHBondContact O-OG1 3.33Å; T102-T104 VanDerWaalsContact C-N 3.29Å; T102-T104 PolarHBondContact O-N 2.88Å; T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.32Å; T104-S107 PolarHBondContact O-N 2.97Å; T104-G108 PolarHBondContact O-N 3.45Å; T104-I188 HydrophobicContact CG2-CG2 3.66Å; T104-I192 HydrophobicContact CG2-CD1 4.27Å |
| 105 | V | 87 | Confident | 89.6 | Confident | 107 Ų | 107 | 60.1 Ų | 60.1 | 65% | 0.648 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.9 | -40.1 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | T102 V103 | T102-V105 PolarHBondContact O-N 2.94Å; V103-V105 VanDerWaalsContact C-N 3.35Å; V103-V105 PolarHBondContact O-N 3.45Å |
| 106 | T | 86.3 | Confident | 89.3 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 63% | 0.632 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -80.9 | -23.4 | -178.1 | 63.2 | 0 | 0 | 0 | 0 | 114.2 | V103 T104 | V103-T106 PolarHBondContact O-N 3.33Å; V103-T106 PolarHBondContact O-OG1 2.78Å; T104-T106 VanDerWaalsContact C-N 3.3Å; T104-T106 PolarHBondContact O-N 3.32Å |
| 107 | S | 87 | Confident | 89 | Confident | 31 Ų | 31 | 62.8 Ų | 62.8 | 22% | 0.217 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -98.4 | -13.1 | -178.3 | 55.6 | 0 | 0 | 0 | 0 | 114 | V103 T104 E109 K110 F111 | V103-S107 WeakPolarHBondContact O-CB 3.35Å; V103-S107 PolarHBondContact O-N 3.36Å; V103-S107 PolarHBondContact O-OG 3.46Å; T104-S107 PolarHBondContact O-N 2.97Å; S107-E109 PolarHBondContact O-N 2.9Å; S107-K110 PolarHBondContact O-N 3.38Å; S107-F111 PolarHBondContact O-N 2.83Å |
| 108 | G | 82 | Confident | 88.8 | Confident | 15 Ų | 15 | 63.4 Ų | 63.4 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T104 K110 F111 Q112 | T104-G108 PolarHBondContact O-N 3.45Å; G108-K110 VanDerWaalsContact C-N 3.33Å; G108-K110 PolarHBondContact O-N 3.12Å; G108-F111 PolarHBondContact O-N 3.39Å; G108-Q112 WeakPolarHBondContact O-CG 3.3Å; G108-Q112 PolarHBondContact O-N 3.49Å |
| 109 | E | 83.9 | Confident | 88.8 | Confident | 148 Ų | 148 | 58.4 Ų | 58.4 | 69% | 0.692 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.7 | -37.8 | -179.9 | -65.6 | -174.9 | 167.1 | 0 | 0 | 112.8 | S107 Q112 T113 | S107-E109 PolarHBondContact O-N 2.9Å; E109-Q112 PolarHBondContact O-N 3.3Å; E109-T113 WeakPolarHBondContact O-CB 3.31Å; E109-T113 PolarHBondContact O-N 2.83Å; E109-T113 PolarHBondContact O-OG1 2.7Å |
| 110 | K | 83.6 | Confident | 88.7 | Confident | 163 Ų | 163 | 58.2 Ų | 58.2 | 71% | 0.709 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.1 | -43.9 | 177.4 | -65.3 | -177.8 | -179.1 | 178 | 0 | 110.6 | S107 G108 T113 A114 | S107-K110 PolarHBondContact O-N 3.38Å; G108-K110 VanDerWaalsContact C-N 3.33Å; G108-K110 PolarHBondContact O-N 3.12Å; K110-T113 PolarHBondContact O-N 3.43Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 3.01Å |
| 111 | F | 83.8 | Confident | 88.5 | Confident | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -50.9 | 176.4 | 179 | -83.3 | 0 | 0 | 0 | 111.2 | I49 P51 S107 G108 T113 A114 A115 F180 L184 | I49-F111 HydrophobicContact CG2-CD2 3.68Å; I49-F111 HydrophobicContact CG2-CE2 4.07Å; I49-F111 WeakPolarHBondContact O-CE2 3.31Å; P51-F111 HydrophobicContact CG-CD1 4.08Å; P51-F111 HydrophobicContact CG-CD2 3.71Å; P51-F111 HydrophobicContact CG-CE1 4.19Å; P51-F111 HydrophobicContact CG-CE2 3.8Å; P51-F111 HydrophobicContact CG-CG 3.89Å; P51-F111 HydrophobicContact CG-CZ 4.04Å; S107-F111 PolarHBondContact O-N 2.83Å; G108-F111 PolarHBondContact O-N 3.39Å; F111-T113 VanDerWaalsContact C-N 3.31Å; F111-T113 PolarHBondContact O-N 3.19Å; F111-A114 PolarHBondContact O-N 2.91Å; F111-A115 HydrophobicContact CD1-CB 4.42Å; F111-A115 HydrophobicContact CE1-CB 3.87Å; F111-A115 HydrophobicContact CZ-CB 4.31Å; F111-A115 WeakPolarHBondContact O-CB 3.19Å; F111-A115 PolarHBondContact O-N 2.84Å; F111-F180 HydrophobicContact CE1-CE1 4.24Å; F111-F180 HydrophobicContact CZ-CE1 4.23Å; F111-L184 HydrophobicContact CD1-CD1 4.03Å; F111-L184 HydrophobicContact CE1-CD1 3.09Å; F111-L184 HydrophobicContact CZ-CD1 3.59Å |
| 112 | Q | 85.7 | Confident | 88.6 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 27% | 0.266 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 179.9 | -72.1 | 177 | 3.6 | 0 | 0 | 111.2 | G108 E109 A114 A115 N116 Q185 | G108-Q112 WeakPolarHBondContact O-CG 3.3Å; G108-Q112 PolarHBondContact O-N 3.49Å; E109-Q112 PolarHBondContact O-N 3.3Å; Q112-A114 PolarHBondContact O-N 3.49Å; Q112-A115 PolarHBondContact O-N 3.23Å; Q112-N116 WeakPolarHBondContact O-CB 3.47Å; Q112-N116 PolarHBondContact O-N 3.38Å; Q112-N116 PolarHBondContact O-ND2 3.34Å; Q112-N116 PolarHBondContact O-OD1 3.25Å; Q112-Q185 VanDerWaalsContact NE2-CD 3.28Å |
| 113 | T | 87.6 | Confident | 88.7 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 178.9 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | E109 K110 F111 N116 H117 | E109-T113 WeakPolarHBondContact O-CB 3.31Å; E109-T113 PolarHBondContact O-N 2.83Å; E109-T113 PolarHBondContact O-OG1 2.7Å; K110-T113 PolarHBondContact O-N 3.43Å; F111-T113 VanDerWaalsContact C-N 3.31Å; F111-T113 PolarHBondContact O-N 3.19Å; T113-N116 PolarHBondContact O-N 2.83Å; T113-H117 PolarHBondContact O-N 3.11Å; T113-H117 VanDerWaalsContact O-N 3.09Å |
| 114 | A | 85.6 | Confident | 88.7 | Confident | 28 Ų | 28 | 58.2 Ų | 58.2 | 23% | 0.231 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | I49 K110 F111 Q112 N116 H117 S118 | I49-A114 HydrophobicContact CD1-CB 3.72Å; K110-A114 WeakPolarHBondContact O-CB 3.44Å; K110-A114 PolarHBondContact O-N 3.01Å; F111-A114 PolarHBondContact O-N 2.91Å; Q112-A114 PolarHBondContact O-N 3.49Å; A114-N116 VanDerWaalsContact C-N 3.35Å; A114-N116 PolarHBondContact O-N 3.47Å; A114-H117 PolarHBondContact O-N 2.87Å; A114-S118 VanDerWaalsContact O-CB 3.3Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 2.94Å; A114-S118 PolarHBondContact O-OG 3.44Å |
| 115 | A | 86.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F46 F111 Q112 H117 S118 V119 | F46-A115 HydrophobicContact CD1-CB 3.96Å; F46-A115 HydrophobicContact CE1-CB 3.57Å; F46-A115 HydrophobicContact CZ-CB 4.36Å; F111-A115 HydrophobicContact CD1-CB 4.42Å; F111-A115 HydrophobicContact CE1-CB 3.87Å; F111-A115 HydrophobicContact CZ-CB 4.31Å; F111-A115 WeakPolarHBondContact O-CB 3.19Å; F111-A115 PolarHBondContact O-N 2.84Å; Q112-A115 PolarHBondContact O-N 3.23Å; A115-H117 PolarHBondContact O-N 3.21Å; A115-S118 WeakPolarHBondContact O-CB 3.21Å; A115-S118 PolarHBondContact O-N 3.45Å; A115-V119 WeakPolarHBondContact O-CG2 3.36Å; A115-V119 PolarHBondContact O-N 2.87Å |
| 116 | N | 91 | Very high | 89 | Confident | 54 Ų | 54 | 56 Ų | 56 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 177.7 | -64.1 | -1 | 0 | 0 | 0 | 111.3 | Q112 T113 A114 S118 V119 V120 V177 N181 | Q112-N116 WeakPolarHBondContact O-CB 3.47Å; Q112-N116 PolarHBondContact O-N 3.38Å; Q112-N116 PolarHBondContact O-ND2 3.34Å; Q112-N116 PolarHBondContact O-OD1 3.25Å; T113-N116 PolarHBondContact O-N 2.83Å; A114-N116 VanDerWaalsContact C-N 3.35Å; A114-N116 PolarHBondContact O-N 3.47Å; N116-S118 VanDerWaalsContact C-N 3.32Å; N116-S118 PolarHBondContact O-N 2.98Å; N116-V119 PolarHBondContact O-N 3.47Å; N116-V120 VanDerWaalsContact O-CG2 3.29Å; N116-V120 WeakPolarHBondContact O-CG2 3.37Å; N116-V120 PolarHBondContact O-N 3.35Å; N116-V177 HydrophobicContact CB-CG1 4.2Å; N116-V177 HydrophobicContact CB-CG2 4.44Å; N116-V177 VanDerWaalsContact CG-CG1 3.46Å; N116-V177 WeakPolarHBondContact OD1-CG1 3.24Å; N116-N181 PolarHBondContact OD1-ND2 3.43Å |
| 117 | H | 90.7 | Very high | 89.3 | Confident | 137 Ų | 137 | 56.3 Ų | 56.3 | 63% | 0.634 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 178 | -175.9 | -89.4 | 0 | 0 | 0 | 111.8 | T113 A114 A115 V120 N121 | T113-H117 PolarHBondContact O-N 3.11Å; T113-H117 VanDerWaalsContact O-N 3.09Å; A114-H117 PolarHBondContact O-N 2.87Å; A115-H117 PolarHBondContact O-N 3.21Å; H117-V120 PolarHBondContact O-N 3.03Å; H117-N121 WeakPolarHBondContact O-CB 3.15Å; H117-N121 PolarHBondContact O-N 3.03Å |
| 118 | S | 91.2 | Very high | 89.6 | Confident | 15 Ų | 15 | 60.1 Ų | 60.1 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.8 | -80.2 | 0 | 0 | 0 | 0 | 113.1 | M45 A114 A115 N116 N121 A122 | M45-S118 WeakPolarHBondContact O-CB 3.41Å; M45-S118 PolarHBondContact O-OG 3.29Å; A114-S118 VanDerWaalsContact O-CB 3.3Å; A114-S118 WeakPolarHBondContact O-CB 3.38Å; A114-S118 PolarHBondContact O-N 2.94Å; A114-S118 PolarHBondContact O-OG 3.44Å; A115-S118 WeakPolarHBondContact O-CB 3.21Å; A115-S118 PolarHBondContact O-N 3.45Å; N116-S118 VanDerWaalsContact C-N 3.32Å; N116-S118 PolarHBondContact O-N 2.98Å; S118-N121 PolarHBondContact O-N 3.22Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.41Å |
| 119 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 110.7 | M45 F46 A115 N116 N121 A122 V123 M136 L139 A148 C176 V177 | M45-V119 HydrophobicContact SD-CB 4.43Å; M45-V119 HydrophobicContact SD-CG2 3.8Å; F46-V119 HydrophobicContact CE1-CG2 4.1Å; F46-V119 HydrophobicContact CZ-CG2 4.28Å; A115-V119 WeakPolarHBondContact O-CG2 3.36Å; A115-V119 PolarHBondContact O-N 2.87Å; N116-V119 PolarHBondContact O-N 3.47Å; V119-N121 VanDerWaalsContact C-N 3.29Å; V119-N121 PolarHBondContact O-N 3.49Å; V119-A122 PolarHBondContact O-N 3.21Å; V119-V123 WeakPolarHBondContact O-CG2 3.37Å; V119-V123 PolarHBondContact O-N 2.94Å; V119-M136 HydrophobicContact CG1-CE 4.04Å; V119-M136 HydrophobicContact CG1-SD 4.3Å; V119-L139 HydrophobicContact CG1-CD2 4.32Å; V119-L139 HydrophobicContact CG2-CD2 4.14Å; V119-A148 HydrophobicContact CG1-CB 3.91Å; V119-C176 HydrophobicContact CG1-CB 4.15Å; V119-V177 HydrophobicContact CB-CG2 3.84Å; V119-V177 HydrophobicContact CG1-CG2 3.96Å; V119-V177 HydrophobicContact CG2-CG2 4.36Å |
| 120 | V | 93.1 | Very high | 90.5 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 32% | 0.321 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -42.7 | 175.2 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | N116 H117 K124 A148 | N116-V120 VanDerWaalsContact O-CG2 3.29Å; N116-V120 WeakPolarHBondContact O-CG2 3.37Å; N116-V120 PolarHBondContact O-N 3.35Å; H117-V120 PolarHBondContact O-N 3.03Å; V120-K124 PolarHBondContact O-N 3.49Å; V120-A148 HydrophobicContact CB-CB 4.32Å; V120-A148 HydrophobicContact CG2-CB 3.58Å |
| 121 | N | 92.2 | Very high | 90.8 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 31% | 0.305 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 177.1 | -174.5 | 54.6 | 0 | 0 | 0 | 112.3 | H117 S118 V119 V123 K124 Q125 | H117-N121 WeakPolarHBondContact O-CB 3.15Å; H117-N121 PolarHBondContact O-N 3.03Å; S118-N121 PolarHBondContact O-N 3.22Å; V119-N121 VanDerWaalsContact C-N 3.29Å; V119-N121 PolarHBondContact O-N 3.49Å; N121-V123 VanDerWaalsContact C-N 3.34Å; N121-V123 PolarHBondContact O-N 2.72Å; N121-K124 PolarHBondContact O-N 2.92Å; N121-Q125 VanDerWaalsContact CG-NE2 3.32Å; N121-Q125 PolarHBondContact ND2-NE2 3.29Å; N121-Q125 PolarHBondContact O-N 3.15Å; N121-Q125 PolarHBondContact OD1-NE2 3.11Å |
| 122 | A | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M45 S118 V119 Q125 F126 L132 M136 | M45-A122 HydrophobicContact CE-CB 3.71Å; M45-A122 HydrophobicContact CG-CB 4.03Å; M45-A122 HydrophobicContact SD-CB 4.01Å; S118-A122 WeakPolarHBondContact O-CB 3.36Å; S118-A122 PolarHBondContact O-N 3.41Å; V119-A122 PolarHBondContact O-N 3.21Å; A122-Q125 CarbonylContact O-C 3.14Å; A122-Q125 PolarHBondContact O-N 3.18Å; A122-F126 WeakPolarHBondContact O-CA 3.36Å; A122-F126 PolarHBondContact O-N 3.5Å; A122-L132 HydrophobicContact CB-CD2 4.42Å; A122-M136 HydrophobicContact CB-SD 4.21Å |
| 123 | V | 94.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 173.8 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | V119 N121 Q125 F126 M136 A148 D153 Y154 I159 | V119-V123 WeakPolarHBondContact O-CG2 3.37Å; V119-V123 PolarHBondContact O-N 2.94Å; N121-V123 VanDerWaalsContact C-N 3.34Å; N121-V123 PolarHBondContact O-N 2.72Å; V123-Q125 VanDerWaalsContact C-N 3.26Å; V123-Q125 PolarHBondContact O-N 2.85Å; V123-F126 WeakPolarHBondContact O-CB 3.3Å; V123-F126 PolarHBondContact O-N 3.01Å; V123-M136 HydrophobicContact CG2-CE 3.73Å; V123-M136 HydrophobicContact CG2-SD 4.39Å; V123-A148 HydrophobicContact CG2-CB 4.23Å; V123-D153 HydrophobicContact CG1-CB 3.97Å; V123-Y154 HydrophobicContact CG1-CD1 4.01Å; V123-Y154 HydrophobicContact CG1-CD2 4.45Å; V123-Y154 HydrophobicContact CG1-CE1 3.95Å; V123-Y154 HydrophobicContact CG1-CE2 4.42Å; V123-Y154 HydrophobicContact CG1-CG 4.23Å; V123-I159 WeakPolarHBondContact O-CD1 3.5Å |
| 124 | K | 92.7 | Very high | 91.9 | Very high | 133 Ų | 133 | 58.1 Ų | 58.1 | 58% | 0.578 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.2 | -31.7 | 179.6 | -69.7 | 176.9 | -179 | -180 | 0 | 113.2 | V120 N121 | V120-K124 PolarHBondContact O-N 3.49Å; N121-K124 PolarHBondContact O-N 2.92Å |
| 125 | Q | 92 | Very high | 92.3 | Very high | 65 Ų | 65 | 57.7 Ų | 57.7 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 12.5 | -177.6 | -60.8 | -171.5 | 38.6 | 0 | 0 | 113.4 | N121 A122 V123 Y127 T128 N129 L132 | N121-Q125 VanDerWaalsContact CG-NE2 3.32Å; N121-Q125 PolarHBondContact ND2-NE2 3.29Å; N121-Q125 PolarHBondContact O-N 3.15Å; N121-Q125 PolarHBondContact OD1-NE2 3.11Å; A122-Q125 CarbonylContact O-C 3.14Å; A122-Q125 PolarHBondContact O-N 3.18Å; V123-Q125 VanDerWaalsContact C-N 3.26Å; V123-Q125 PolarHBondContact O-N 2.85Å; Q125-Y127 PolarHBondContact O-N 3.02Å; Q125-T128 VanDerWaalsContact CA-OG1 3.3Å; Q125-T128 WeakPolarHBondContact CA-OG1 3.3Å; Q125-T128 PolarHBondContact O-N 3.34Å; Q125-T128 VanDerWaalsContact O-N 3.08Å; Q125-T128 PolarHBondContact O-OG1 3.25Å; Q125-T128 VanDerWaalsContact O-OG1 3.14Å; Q125-N129 HydrophobicContact CB-CB 4.25Å; Q125-N129 PolarHBondContact O-N 3.32Å; Q125-L132 HydrophobicContact CB-CD1 3.94Å |
| 126 | F | 93.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -46.4 | -168.2 | -177.6 | -89.5 | 0 | 0 | 0 | 113.2 | A122 V123 Q133 M136 D137 Y154 I159 P162 | A122-F126 WeakPolarHBondContact O-CA 3.36Å; A122-F126 PolarHBondContact O-N 3.5Å; V123-F126 WeakPolarHBondContact O-CB 3.3Å; V123-F126 PolarHBondContact O-N 3.01Å; F126-Q133 HydrophobicContact CD1-CG 4.12Å; F126-Q133 HydrophobicContact CD2-CG 4.31Å; F126-Q133 HydrophobicContact CE1-CG 3.66Å; F126-Q133 HydrophobicContact CE2-CG 3.9Å; F126-Q133 HydrophobicContact CG-CG 4.42Å; F126-Q133 HydrophobicContact CZ-CG 3.53Å; F126-Q133 VanDerWaalsContact O-CB 3.27Å; F126-Q133 WeakPolarHBondContact O-CB 3.32Å; F126-Q133 WeakPolarHBondContact O-CG 3.48Å; F126-M136 HydrophobicContact CD2-CB 3.83Å; F126-M136 HydrophobicContact CD2-CG 3.85Å; F126-M136 HydrophobicContact CE2-CB 3.87Å; F126-M136 HydrophobicContact CE2-CG 4.01Å; F126-D137 VanDerWaalsContact CZ-OD1 3.24Å; F126-D137 WeakPolarHBondContact CZ-OD1 3.36Å; F126-Y154 HydrophobicContact CB-CE1 3.86Å; F126-Y154 HydrophobicContact CD1-CE1 4.23Å; F126-Y154 HydrophobicContact CD2-CE1 4.04Å; F126-Y154 AromaticContact CG-CE1 3.77Å; F126-Y154 HydrophobicContact CG-CE1 3.77Å; F126-I159 HydrophobicContact CB-CD1 4.35Å; F126-P162 HydrophobicContact CD1-CB 4.43Å; F126-P162 HydrophobicContact CE1-CB 3.5Å; F126-P162 VanDerWaalsContact CE1-CB 3.5Å; F126-P162 HydrophobicContact CE1-CG 4.08Å; F126-P162 HydrophobicContact CE2-CB 4.16Å; F126-P162 HydrophobicContact CE2-CG 4.07Å; F126-P162 HydrophobicContact CZ-CB 3.32Å; F126-P162 HydrophobicContact CZ-CG 3.73Å |
| 127 | Y | 93 | Very high | 92.9 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 43% | 0.427 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -4.1 | 178.8 | -66.5 | -70.2 | 0 | 0 | 0 | 114.2 | Q125 I159 N160 | Q125-Y127 PolarHBondContact O-N 3.02Å; Y127-I159 HydrophobicContact CD2-CB 3.82Å; Y127-I159 HydrophobicContact CD2-CD1 4.3Å; Y127-I159 HydrophobicContact CD2-CG2 3.96Å; Y127-I159 HydrophobicContact CE2-CB 3.89Å; Y127-N160 VanDerWaalsContact CE2-O 3.3Å; Y127-N160 WeakPolarHBondContact CE2-O 3.4Å; Y127-N160 PolarHBondContact OH-O 3.33Å |
| 128 | T | 93.5 | Very high | 93.1 | Very high | 111 Ų | 111 | 52.6 Ų | 52.6 | 68% | 0.681 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | -23.9 | -178.3 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | Q125 | Q125-T128 VanDerWaalsContact CA-OG1 3.3Å; Q125-T128 WeakPolarHBondContact CA-OG1 3.3Å; Q125-T128 PolarHBondContact O-N 3.34Å; Q125-T128 VanDerWaalsContact O-N 3.08Å; Q125-T128 PolarHBondContact O-OG1 3.25Å; Q125-T128 VanDerWaalsContact O-OG1 3.14Å |
| 129 | N | 92.6 | Very high | 93.3 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | trans | -120.9 | 104.7 | -180 | -173.8 | -28.2 | 0 | 0 | 0 | 110.5 | Q125 Y131 L132 Q133 | Q125-N129 HydrophobicContact CB-CB 4.25Å; Q125-N129 PolarHBondContact O-N 3.32Å; N129-Y131 PolarHBondContact O-N 3.47Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.22Å; N129-Y131 PolarHBondContact OD1-N 2.61Å; N129-Y131 VanDerWaalsContact OD1-N 3.08Å; N129-L132 HydrophobicContact CB-CB 4.09Å; N129-L132 HydrophobicContact CB-CD1 4Å; N129-L132 HydrophobicContact CB-CG 4.15Å; N129-L132 PolarHBondContact O-N 3.4Å; N129-L132 VanDerWaalsContact O-N 3.16Å; N129-L132 PolarHBondContact OD1-N 3.02Å; N129-Q133 PolarHBondContact O-N 3.42Å | ||
| 130 | P | 92.2 | Very high | 93.5 | Very high | 85 Ų | 85 | 51.9 Ų | 51.9 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.1 | -27.7 | -175.9 | 24.9 | -34.2 | 0 | 0 | 0 | 113.2 | Q133 V134 | P130-Q133 WeakPolarHBondContact O-CB 3.32Å; P130-V134 WeakPolarHBondContact O-CG2 3.46Å; P130-V134 PolarHBondContact O-N 3.13Å |
| 131 | Y | 90.7 | Very high | 93.6 | Very high | 162 Ų | 162 | 54.8 Ų | 54.8 | 64% | 0.635 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.6 | -47.3 | 175.8 | -60.8 | -76.9 | 0 | 0 | 0 | 111 | N129 Q133 V134 E135 | N129-Y131 PolarHBondContact O-N 3.47Å; N129-Y131 WeakPolarHBondContact OD1-CB 3.22Å; N129-Y131 PolarHBondContact OD1-N 2.61Å; N129-Y131 VanDerWaalsContact OD1-N 3.08Å; Y131-Q133 VanDerWaalsContact C-N 3.26Å; Y131-Q133 PolarHBondContact O-N 3.48Å; Y131-V134 PolarHBondContact O-N 3.48Å; Y131-E135 WeakPolarHBondContact O-CG 3.44Å; Y131-E135 PolarHBondContact O-N 3.04Å; Y131-E135 VanDerWaalsContact O-N 3.16Å |
| 132 | L | 91.9 | Very high | 93.7 | Very high | 11 Ų | 11 | 56.7 Ų | 56.7 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -31.3 | 176.7 | -66.3 | 177 | 0 | 0 | 0 | 111.8 | M45 A122 Q125 N129 M136 | M45-L132 HydrophobicContact CB-CD2 4.12Å; A122-L132 HydrophobicContact CB-CD2 4.42Å; Q125-L132 HydrophobicContact CB-CD1 3.94Å; N129-L132 HydrophobicContact CB-CB 4.09Å; N129-L132 HydrophobicContact CB-CD1 4Å; N129-L132 HydrophobicContact CB-CG 4.15Å; N129-L132 PolarHBondContact O-N 3.4Å; N129-L132 VanDerWaalsContact O-N 3.16Å; N129-L132 PolarHBondContact OD1-N 3.02Å; L132-M136 WeakPolarHBondContact O-CB 3.45Å; L132-M136 PolarHBondContact O-N 3.37Å |
| 133 | Q | 93.6 | Very high | 93.8 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 31% | 0.308 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 174.7 | -163.3 | -177.6 | -27.5 | 0 | 0 | 111.5 | F126 N129 P130 Y131 M136 D137 | F126-Q133 HydrophobicContact CD1-CG 4.12Å; F126-Q133 HydrophobicContact CD2-CG 4.31Å; F126-Q133 HydrophobicContact CE1-CG 3.66Å; F126-Q133 HydrophobicContact CE2-CG 3.9Å; F126-Q133 HydrophobicContact CG-CG 4.42Å; F126-Q133 HydrophobicContact CZ-CG 3.53Å; F126-Q133 VanDerWaalsContact O-CB 3.27Å; F126-Q133 WeakPolarHBondContact O-CB 3.32Å; F126-Q133 WeakPolarHBondContact O-CG 3.48Å; N129-Q133 PolarHBondContact O-N 3.42Å; P130-Q133 WeakPolarHBondContact O-CB 3.32Å; Y131-Q133 VanDerWaalsContact C-N 3.26Å; Y131-Q133 PolarHBondContact O-N 3.48Å; Q133-M136 PolarHBondContact O-N 3.21Å; Q133-D137 WeakPolarHBondContact O-CB 3.23Å; Q133-D137 PolarHBondContact O-N 2.91Å |
| 134 | V | 93.9 | Very high | 93.9 | Very high | 84 Ų | 84 | 66.8 Ų | 66.8 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | -179.8 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | P130 Y131 M136 D137 N138 | P130-V134 WeakPolarHBondContact O-CG2 3.46Å; P130-V134 PolarHBondContact O-N 3.13Å; Y131-V134 PolarHBondContact O-N 3.48Å; V134-M136 PolarHBondContact O-N 2.81Å; V134-D137 PolarHBondContact O-N 3.19Å; V134-N138 VanDerWaalsContact O-CG 3.31Å; V134-N138 PolarHBondContact O-N 2.81Å; V134-N138 PolarHBondContact O-ND2 3.28Å |
| 135 | E | 93.4 | Very high | 94.1 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 179.4 | -64.8 | -167.3 | 177.4 | 0 | 0 | 111.8 | E41 L42 K44 M45 Y131 N138 L139 | E41-E135 VanDerWaalsContact O-CG 3.28Å; E41-E135 WeakPolarHBondContact O-CG 3.25Å; L42-E135 WeakPolarHBondContact CA-OE2 3.46Å; L42-E135 HydrophobicContact CD2-CB 4.04Å; L42-E135 WeakPolarHBondContact CD2-O 3.3Å; K44-E135 WeakPolarHBondContact CB-OE1 3.36Å; K44-E135 VanDerWaalsContact CG-OE1 3.27Å; K44-E135 WeakPolarHBondContact CG-OE1 3.41Å; K44-E135 PolarHBondContact N-OE1 3.48Å; K44-E135 PolarHBondContact N-OE2 3.29Å; M45-E135 VanDerWaalsContact CB-OE2 3.26Å; M45-E135 WeakPolarHBondContact CB-OE2 3.27Å; M45-E135 HydrophobicContact CE-CB 4.08Å; M45-E135 PolarHBondContact N-OE2 3.25Å; Y131-E135 WeakPolarHBondContact O-CG 3.44Å; Y131-E135 PolarHBondContact O-N 3.04Å; Y131-E135 VanDerWaalsContact O-N 3.16Å; E135-N138 PolarHBondContact O-N 3.36Å; E135-L139 WeakPolarHBondContact O-CB 3.21Å; E135-L139 PolarHBondContact O-N 2.92Å |
| 136 | M | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 176.3 | -168.2 | 71.4 | -166.3 | 0 | 0 | 111.8 | M45 V119 A122 V123 F126 L132 Q133 V134 N138 L139 Q140 C176 | M45-M136 HydrophobicContact CE-CB 4.01Å; M45-M136 HydrophobicContact CE-SD 3.84Å; V119-M136 HydrophobicContact CG1-CE 4.04Å; V119-M136 HydrophobicContact CG1-SD 4.3Å; A122-M136 HydrophobicContact CB-SD 4.21Å; V123-M136 HydrophobicContact CG2-CE 3.73Å; V123-M136 HydrophobicContact CG2-SD 4.39Å; F126-M136 HydrophobicContact CD2-CB 3.83Å; F126-M136 HydrophobicContact CD2-CG 3.85Å; F126-M136 HydrophobicContact CE2-CB 3.87Å; F126-M136 HydrophobicContact CE2-CG 4.01Å; L132-M136 WeakPolarHBondContact O-CB 3.45Å; L132-M136 PolarHBondContact O-N 3.37Å; Q133-M136 PolarHBondContact O-N 3.21Å; V134-M136 PolarHBondContact O-N 2.81Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 3.43Å; M136-L139 HydrophobicContact CE-CD2 4.27Å; M136-L139 PolarHBondContact O-N 3.37Å; M136-L139 HydrophobicContact SD-CD2 3.92Å; M136-Q140 HydrophobicContact CE-CG 3.97Å; M136-Q140 VanDerWaalsContact CE-NE2 3.28Å; M136-Q140 HydrophobicContact CG-CG 4.42Å; M136-Q140 WeakPolarHBondContact O-CB 3.44Å; M136-Q140 WeakPolarHBondContact O-CG 3.32Å; M136-Q140 PolarHBondContact O-N 3.41Å; M136-C176 HydrophobicContact CE-CB 4.14Å |
| 137 | D | 95.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.171 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 173.7 | -83.7 | -13.2 | 0 | 0 | 0 | 111.6 | F126 Q133 V134 Q140 K141 S164 | F126-D137 VanDerWaalsContact CZ-OD1 3.24Å; F126-D137 WeakPolarHBondContact CZ-OD1 3.36Å; Q133-D137 WeakPolarHBondContact O-CB 3.23Å; Q133-D137 PolarHBondContact O-N 2.91Å; V134-D137 PolarHBondContact O-N 3.19Å; D137-Q140 PolarHBondContact O-N 2.85Å; D137-K141 WeakPolarHBondContact O-CB 3.21Å; D137-K141 VanDerWaalsContact O-CG 3.25Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 2.83Å; D137-S164 WeakPolarHBondContact OD1-CB 3.33Å; D137-S164 PolarHBondContact OD1-OG 3.35Å |
| 138 | N | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176 | -71.7 | -17.8 | 0 | 0 | 0 | 111.1 | V134 E135 M136 Q140 K141 N142 | V134-N138 VanDerWaalsContact O-CG 3.31Å; V134-N138 PolarHBondContact O-N 2.81Å; V134-N138 PolarHBondContact O-ND2 3.28Å; E135-N138 PolarHBondContact O-N 3.36Å; M136-N138 VanDerWaalsContact C-N 3.31Å; M136-N138 PolarHBondContact O-N 3.43Å; N138-Q140 VanDerWaalsContact C-N 3.32Å; N138-Q140 PolarHBondContact O-N 3.46Å; N138-K141 PolarHBondContact O-N 2.89Å; N138-N142 WeakPolarHBondContact O-CB 3.32Å; N138-N142 PolarHBondContact O-N 2.92Å; N138-N142 PolarHBondContact O-ND2 3.5Å |
| 139 | L | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -55.1 | -48.7 | 175.5 | -176.8 | 70 | 0 | 0 | 0 | 111 | L42 M45 V119 E135 M136 F143 C176 F180 | L42-L139 HydrophobicContact CD1-CD1 3.61Å; L42-L139 HydrophobicContact CD2-CB 3.91Å; L42-L139 HydrophobicContact CD2-CD1 4.47Å; M45-L139 HydrophobicContact CE-CD2 4.33Å; M45-L139 HydrophobicContact SD-CD2 4.11Å; V119-L139 HydrophobicContact CG1-CD2 4.32Å; V119-L139 HydrophobicContact CG2-CD2 4.14Å; E135-L139 WeakPolarHBondContact O-CB 3.21Å; E135-L139 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact CE-CD2 4.27Å; M136-L139 PolarHBondContact O-N 3.37Å; M136-L139 HydrophobicContact SD-CD2 3.92Å; L139-F143 HydrophobicContact CD1-CD2 3.52Å; L139-F143 HydrophobicContact CD1-CE2 3.83Å; L139-F143 HydrophobicContact CD1-CG 4.43Å; L139-F143 HydrophobicContact CG-CD2 4.36Å; L139-F143 WeakPolarHBondContact O-CB 3.28Å; L139-F143 WeakPolarHBondContact O-CD2 3.44Å; L139-F143 PolarHBondContact O-N 3.19Å; L139-C176 HydrophobicContact CD2-CB 3.66Å; L139-C176 HydrophobicContact CG-CB 4.09Å; L139-F180 HydrophobicContact CD1-CB 4.19Å; L139-F180 HydrophobicContact CD1-CD2 3.79Å; L139-F180 HydrophobicContact CD1-CE2 4.49Å; L139-F180 HydrophobicContact CD1-CG 4.16Å |
| 140 | Q | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | -177.5 | -73.1 | 173.2 | -30.4 | 0 | 0 | 112.8 | M136 D137 N138 R144 C145 Y154 S164 C165 | M136-Q140 HydrophobicContact CE-CG 3.97Å; M136-Q140 VanDerWaalsContact CE-NE2 3.28Å; M136-Q140 HydrophobicContact CG-CG 4.42Å; M136-Q140 WeakPolarHBondContact O-CB 3.44Å; M136-Q140 WeakPolarHBondContact O-CG 3.32Å; M136-Q140 PolarHBondContact O-N 3.41Å; D137-Q140 PolarHBondContact O-N 2.85Å; N138-Q140 VanDerWaalsContact C-N 3.32Å; N138-Q140 PolarHBondContact O-N 3.46Å; Q140-R144 VanDerWaalsContact O-CA 3.24Å; Q140-R144 WeakPolarHBondContact O-CA 3.13Å; Q140-R144 PolarHBondContact O-N 3.47Å; Q140-C145 WeakPolarHBondContact CA-O 3.27Å; Q140-C145 WeakPolarHBondContact CB-O 3.35Å; Q140-C145 WeakPolarHBondContact CG-O 3.48Å; Q140-C145 PolarHBondContact O-N 3.36Å; Q140-Y154 PolarHBondContact NE2-OH 2.94Å; Q140-S164 PolarHBondContact OE1-OG 3.27Å; Q140-C165 VanDerWaalsContact CD-SG 3.56Å; Q140-C165 PolarHBondContact NE2-SG 2.79Å |
| 141 | K | 95.1 | Very high | 95.2 | Very high | 114 Ų | 114 | 50.5 Ų | 50.5 | 50% | 0.496 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -69.2 | -46.7 | 177.7 | -71 | 170.3 | -174.5 | 168.4 | 0 | 111.9 | D137 N138 | D137-K141 WeakPolarHBondContact O-CB 3.21Å; D137-K141 VanDerWaalsContact O-CG 3.25Å; D137-K141 WeakPolarHBondContact O-CG 3.37Å; D137-K141 PolarHBondContact O-N 2.83Å; N138-K141 PolarHBondContact O-N 2.89Å |
| 142 | N | 94.2 | Very high | 95.4 | Very high | 97 Ų | 97 | 46.5 Ų | 46.5 | 52% | 0.519 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.9 | -36.7 | -175.3 | -69.6 | -12.1 | 0 | 0 | 0 | 111.8 | E41 N138 | E41-N142 PolarHBondContact OE2-ND2 3Å; N138-N142 WeakPolarHBondContact O-CB 3.32Å; N138-N142 PolarHBondContact O-N 2.92Å; N138-N142 PolarHBondContact O-ND2 3.5Å |
| 143 | F | 95.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 46.9 Ų | 46.9 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -104.3 | 1.4 | -176.9 | -66.6 | -79.7 | 0 | 0 | 0 | 114.7 | T38 L139 C145 A179 F180 Y183 | T38-F143 HydrophobicContact CG2-CE2 4Å; T38-F143 HydrophobicContact CG2-CZ 3.72Å; L139-F143 HydrophobicContact CD1-CD2 3.52Å; L139-F143 HydrophobicContact CD1-CE2 3.83Å; L139-F143 HydrophobicContact CD1-CG 4.43Å; L139-F143 HydrophobicContact CG-CD2 4.36Å; L139-F143 WeakPolarHBondContact O-CB 3.28Å; L139-F143 WeakPolarHBondContact O-CD2 3.44Å; L139-F143 PolarHBondContact O-N 3.19Å; F143-C145 VanDerWaalsContact C-N 3.27Å; F143-C145 PolarHBondContact O-N 2.96Å; F143-A179 HydrophobicContact CB-CB 4.08Å; F143-F180 HydrophobicContact CD2-CD2 4.48Å; F143-F180 HydrophobicContact CE1-CD2 4.48Å; F143-F180 AromaticContact CE2-CD2 3.87Å; F143-F180 HydrophobicContact CE2-CD2 3.87Å; F143-F180 HydrophobicContact CE2-CE2 4.33Å; F143-F180 AromaticContact CZ-CD2 3.86Å; F143-F180 HydrophobicContact CZ-CD2 3.86Å; F143-F180 HydrophobicContact CZ-CE2 4.27Å; F143-Y183 HydrophobicContact CD1-CG 4.5Å; F143-Y183 VanDerWaalsContact CE1-CB 3.46Å; F143-Y183 AromaticContact CE1-CD1 3.85Å; F143-Y183 HydrophobicContact CE1-CD1 3.85Å; F143-Y183 AromaticContact CE1-CD2 3.7Å; F143-Y183 HydrophobicContact CE1-CD2 3.7Å; F143-Y183 HydrophobicContact CE1-CE2 4.36Å; F143-Y183 AromaticContact CE1-CG 3.39Å; F143-Y183 HydrophobicContact CE1-CG 3.39Å; F143-Y183 AromaticContact CZ-CD1 3.86Å; F143-Y183 HydrophobicContact CZ-CD1 3.86Å; F143-Y183 HydrophobicContact CZ-CD2 4.28Å; F143-Y183 HydrophobicContact CZ-CE1 4.24Å; F143-Y183 AromaticContact CZ-CG 3.89Å; F143-Y183 HydrophobicContact CZ-CG 3.89Å |
| 144 | R | 96.7 | Very high | 95.7 | Very high | 180 Ų | 180 | 43.7 Ų | 43.7 | 68% | 0.679 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50 | 50.1 | 179.8 | -61.3 | -173.5 | 178.6 | 170.8 | -0.8 | 112 | Q140 Y172 | Q140-R144 VanDerWaalsContact O-CA 3.24Å; Q140-R144 WeakPolarHBondContact O-CA 3.13Å; Q140-R144 PolarHBondContact O-N 3.47Å; R144-Y172 HydrophobicContact CB-CD1 3.9Å; R144-Y172 HydrophobicContact CB-CE1 3.49Å; R144-Y172 VanDerWaalsContact CB-CE1 3.49Å; R144-Y172 HydrophobicContact CB-CE2 4.33Å; R144-Y172 HydrophobicContact CB-CG 4.48Å; R144-Y172 HydrophobicContact CG-CE1 3.91Å; R144-Y172 WeakPolarHBondContact O-CD1 3.44Å |
| 145 | C | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -128.1 | 164.2 | -175.6 | 64.3 | 0 | 0 | 0 | 0 | 110.2 | Q140 F143 Y172 R174 C176 A179 | Q140-C145 WeakPolarHBondContact CA-O 3.27Å; Q140-C145 WeakPolarHBondContact CB-O 3.35Å; Q140-C145 WeakPolarHBondContact CG-O 3.48Å; Q140-C145 PolarHBondContact O-N 3.36Å; F143-C145 VanDerWaalsContact C-N 3.27Å; F143-C145 PolarHBondContact O-N 2.96Å; C145-Y172 WeakPolarHBondContact O-CD2 3.42Å; C145-R174 CarbonylContact C-O 3.58Å; C145-R174 WeakPolarHBondContact CA-O 3.5Å; C145-R174 WeakPolarHBondContact CB-O 3.4Å; C145-C176 HydrophobicContact CB-CB 3.9Å; C145-C176 WeakPolarHBondContact CB-SG 3.04Å; C145-C176 WeakPolarHBondContact SG-CA 3.27Å; C145-C176 WeakPolarHBondContact SG-CB 3.14Å; C145-C176 CovalentContact SG-SG 2.04Å; C145-C176 PolarHBondContact SG-SG 2.81Å; C145-A179 HydrophobicContact CB-CB 3.85Å | ||
| 146 | C | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -143 | 141.1 | 175.1 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | S150 Y151 C165 V171 Y172 R174 | C146-S150 CarbonylContact O-C 3.08Å; C146-S150 WeakPolarHBondContact O-CA 3.27Å; C146-Y151 PolarHBondContact O-N 3.38Å; C146-Y151 VanDerWaalsContact SG-CB 3.53Å; C146-C165 VanDerWaalsContact CA-SG 3.55Å; C146-C165 HydrophobicContact CB-CB 3.65Å; C146-C165 WeakPolarHBondContact CB-SG 3.08Å; C146-C165 WeakPolarHBondContact SG-CB 3.13Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 3.01Å; C146-V171 HydrophobicContact CB-CG2 4.4Å; C146-Y172 WeakPolarHBondContact CB-O 3.5Å; C146-R174 PolarHBondContact N-O 2.86Å | ||
| 147 | G | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | 61.2 | -166.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | S150 C176 | G147-S150 WeakPolarHBondContact CA-O 3.42Å; G147-C176 WeakPolarHBondContact O-CB 3.26Å; G147-C176 PolarHBondContact O-N 3.26Å; G147-C176 VanDerWaalsContact O-N 3.09Å; G147-C176 PolarHBondContact O-SG 2.62Å; G147-C176 VanDerWaalsContact O-SG 3.41Å |
| 148 | A | 95.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 2% | 0.017 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -83.9 | -57.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110 | V119 V120 V123 D153 G175 C176 V177 | V119-A148 HydrophobicContact CG1-CB 3.91Å; V120-A148 HydrophobicContact CB-CB 4.32Å; V120-A148 HydrophobicContact CG2-CB 3.58Å; V123-A148 HydrophobicContact CG2-CB 4.23Å; A148-D153 PolarHBondContact N-OD2 3.23Å; A148-G175 CarbonylContact O-C 3.28Å; A148-G175 WeakPolarHBondContact O-CA 3.43Å; A148-C176 PolarHBondContact O-N 3.26Å; A148-V177 HydrophobicContact CB-CG2 4.06Å; A148-V177 VanDerWaalsContact O-CB 3.26Å; A148-V177 WeakPolarHBondContact O-CB 3.29Å; A148-V177 WeakPolarHBondContact O-CG2 3.13Å; A148-V177 PolarHBondContact O-N 3.31Å |
| 149 | T | 95.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 56.8 Ų | 56.8 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -102 | -32.3 | 176 | 64.1 | 0 | 0 | 0 | 0 | 112 | D153 G175 | T149-D153 PolarHBondContact N-OD2 3Å; T149-D153 PolarHBondContact OG1-OD1 3.5Å; T149-D153 VanDerWaalsContact OG1-OD1 3.08Å; T149-D153 PolarHBondContact OG1-OD2 2.89Å; T149-G175 VanDerWaalsContact C-CA 3.49Å; T149-G175 VanDerWaalsContact O-CA 3.24Å; T149-G175 WeakPolarHBondContact O-CA 3.38Å; T149-G175 PolarHBondContact O-N 2.94Å |
| 150 | S | 96.2 | Very high | 95.1 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -163.8 | 165.6 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | C146 G147 L152 D153 | C146-S150 CarbonylContact O-C 3.08Å; C146-S150 WeakPolarHBondContact O-CA 3.27Å; G147-S150 WeakPolarHBondContact CA-O 3.42Å; S150-L152 PolarHBondContact O-N 2.85Å; S150-L152 PolarHBondContact OG-N 3.38Å; S150-D153 PolarHBondContact N-OD2 3.32Å; S150-D153 WeakPolarHBondContact O-CB 3.16Å; S150-D153 PolarHBondContact O-N 3.45Å |
| 151 | Y | 96.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 35% | 0.353 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.8 | 173.4 | 71.3 | -88.9 | 0 | 0 | 0 | 113.9 | C146 D153 Y154 P155 V171 | C146-Y151 PolarHBondContact O-N 3.38Å; C146-Y151 VanDerWaalsContact SG-CB 3.53Å; Y151-D153 PolarHBondContact O-N 3.36Å; Y151-Y154 PolarHBondContact O-N 2.76Å; Y151-P155 VanDerWaalsContact O-CD 3.25Å; Y151-P155 WeakPolarHBondContact O-CD 3.25Å; Y151-V171 HydrophobicContact CD1-CG1 4.01Å; Y151-V171 HydrophobicContact CD2-CG1 4.24Å; Y151-V171 HydrophobicContact CE1-CG1 4.33Å; Y151-V171 HydrophobicContact CG-CG1 3.97Å; Y151-V171 HydrophobicContact CG-CG2 4.08Å |
| 152 | L | 96.3 | Very high | 95.2 | Very high | 77 Ų | 77 | 59 Ų | 59 | 40% | 0.403 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.2 | 177.7 | -62.4 | 172.3 | 0 | 0 | 0 | 113.2 | S150 Y154 P155 K156 | S150-L152 PolarHBondContact O-N 2.85Å; S150-L152 PolarHBondContact OG-N 3.38Å; L152-Y154 PolarHBondContact O-N 2.99Å; L152-P155 WeakPolarHBondContact O-CD 3.4Å; L152-K156 WeakPolarHBondContact O-CB 3.42Å; L152-K156 WeakPolarHBondContact O-CG 3.5Å; L152-K156 PolarHBondContact O-N 3.24Å |
| 153 | D | 95.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.3 | -28.2 | -179.8 | -62.7 | -22.8 | 0 | 0 | 0 | 112.7 | V123 A148 T149 S150 Y151 K156 S157 | V123-D153 HydrophobicContact CG1-CB 3.97Å; A148-D153 PolarHBondContact N-OD2 3.23Å; T149-D153 PolarHBondContact N-OD2 3Å; T149-D153 PolarHBondContact OG1-OD1 3.5Å; T149-D153 VanDerWaalsContact OG1-OD1 3.08Å; T149-D153 PolarHBondContact OG1-OD2 2.89Å; S150-D153 PolarHBondContact N-OD2 3.32Å; S150-D153 WeakPolarHBondContact O-CB 3.16Å; S150-D153 PolarHBondContact O-N 3.45Å; Y151-D153 PolarHBondContact O-N 3.36Å; D153-K156 IonicContact OD1-NZ 3.79Å; D153-S157 WeakPolarHBondContact O-CB 3.46Å; D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 PolarHBondContact O-OG 3.42Å |
| 154 | Y | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.7 | -58.1 | 173.1 | -72.2 | -78.9 | 0 | 0 | 0 | 111.4 | V123 F126 Q140 Y151 L152 K156 S157 H158 I159 P162 | V123-Y154 HydrophobicContact CG1-CD1 4.01Å; V123-Y154 HydrophobicContact CG1-CD2 4.45Å; V123-Y154 HydrophobicContact CG1-CE1 3.95Å; V123-Y154 HydrophobicContact CG1-CE2 4.42Å; V123-Y154 HydrophobicContact CG1-CG 4.23Å; F126-Y154 HydrophobicContact CB-CE1 3.86Å; F126-Y154 HydrophobicContact CD1-CE1 4.23Å; F126-Y154 HydrophobicContact CD2-CE1 4.04Å; F126-Y154 AromaticContact CG-CE1 3.77Å; F126-Y154 HydrophobicContact CG-CE1 3.77Å; Q140-Y154 PolarHBondContact NE2-OH 2.94Å; Y151-Y154 PolarHBondContact O-N 2.76Å; L152-Y154 PolarHBondContact O-N 2.99Å; Y154-K156 VanDerWaalsContact C-N 3.29Å; Y154-K156 PolarHBondContact O-N 3.41Å; Y154-S157 CarbonylContact O-C 3.41Å; Y154-S157 WeakPolarHBondContact O-CA 3.2Å; Y154-S157 PolarHBondContact O-N 3.41Å; Y154-H158 PolarHBondContact O-N 3.37Å; Y154-I159 CarbonylContact C-O 3.54Å; Y154-I159 HydrophobicContact CD1-CD1 3.47Å; Y154-I159 VanDerWaalsContact CD1-CD1 3.47Å; Y154-I159 HydrophobicContact CD1-CG1 3.81Å; Y154-I159 HydrophobicContact CE1-CD1 4.1Å; Y154-I159 HydrophobicContact CG-CD1 4.46Å; Y154-I159 HydrophobicContact CG-CG1 4.45Å; Y154-I159 WeakPolarHBondContact O-CG1 3.24Å; Y154-I159 PolarHBondContact O-N 3.24Å; Y154-I159 VanDerWaalsContact O-N 3.11Å; Y154-I159 VanDerWaalsContact O-O 3.12Å; Y154-P162 HydrophobicContact CE1-CG 4.02Å; Y154-P162 HydrophobicContact CE2-CG 3.95Å |
| 155 | P | 94.3 | Very high | 95.3 | Very high | 65 Ų | 65 | 53.8 Ų | 53.8 | 42% | 0.422 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.2 | -38.6 | 173.9 | -28.6 | 32.2 | 0 | 0 | 0 | 114.5 | Y151 L152 S157 H158 V161 | Y151-P155 VanDerWaalsContact O-CD 3.25Å; Y151-P155 WeakPolarHBondContact O-CD 3.25Å; L152-P155 WeakPolarHBondContact O-CD 3.4Å; P155-S157 PolarHBondContact O-N 3.44Å; P155-H158 PolarHBondContact O-N 3.01Å; P155-V161 HydrophobicContact CG-CG2 4.27Å |
| 156 | K | 93.2 | Very high | 95.3 | Very high | 139 Ų | 139 | 58.1 Ų | 58.1 | 60% | 0.604 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.4 | -25.8 | 175 | -75.4 | 173.1 | -172.9 | 170.3 | 0 | 112.8 | L152 D153 Y154 | L152-K156 WeakPolarHBondContact O-CB 3.42Å; L152-K156 WeakPolarHBondContact O-CG 3.5Å; L152-K156 PolarHBondContact O-N 3.24Å; D153-K156 IonicContact OD1-NZ 3.79Å; Y154-K156 VanDerWaalsContact C-N 3.29Å; Y154-K156 PolarHBondContact O-N 3.41Å |
| 157 | S | 89.4 | Confident | 95.1 | Very high | 41 Ų | 41 | 62.2 Ų | 62.2 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 15 | 175.9 | -51.3 | 0 | 0 | 0 | 0 | 112.3 | D153 Y154 P155 I159 | D153-S157 WeakPolarHBondContact O-CB 3.46Å; D153-S157 PolarHBondContact O-N 3.02Å; D153-S157 PolarHBondContact O-OG 3.42Å; Y154-S157 CarbonylContact O-C 3.41Å; Y154-S157 WeakPolarHBondContact O-CA 3.2Å; Y154-S157 PolarHBondContact O-N 3.41Å; P155-S157 PolarHBondContact O-N 3.44Å; S157-I159 VanDerWaalsContact C-N 3.26Å; S157-I159 PolarHBondContact O-N 2.93Å |
| 158 | H | 91.7 | Very high | 94.9 | Very high | 182 Ų | 182 | 65.7 Ų | 65.7 | 84% | 0.843 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32.8 | -179.2 | -55.4 | -69.8 | 0 | 0 | 0 | 114.6 | Y154 P155 | Y154-H158 PolarHBondContact O-N 3.37Å; P155-H158 PolarHBondContact O-N 3.01Å |
| 159 | I | 92 | Very high | 94.8 | Very high | 37 Ų | 37 | 72 Ų | 72 | 19% | 0.19 | 39% | 0.389 | C | S | . | . | trans | -126.9 | 151.6 | 178.7 | 55.6 | 175.8 | 0 | 0 | 0 | 111.1 | V123 F126 Y127 Y154 S157 | V123-I159 WeakPolarHBondContact O-CD1 3.5Å; F126-I159 HydrophobicContact CB-CD1 4.35Å; Y127-I159 HydrophobicContact CD2-CB 3.82Å; Y127-I159 HydrophobicContact CD2-CD1 4.3Å; Y127-I159 HydrophobicContact CD2-CG2 3.96Å; Y127-I159 HydrophobicContact CE2-CB 3.89Å; Y154-I159 CarbonylContact C-O 3.54Å; Y154-I159 HydrophobicContact CD1-CD1 3.47Å; Y154-I159 VanDerWaalsContact CD1-CD1 3.47Å; Y154-I159 HydrophobicContact CD1-CG1 3.81Å; Y154-I159 HydrophobicContact CE1-CD1 4.1Å; Y154-I159 HydrophobicContact CG-CD1 4.46Å; Y154-I159 HydrophobicContact CG-CG1 4.45Å; Y154-I159 WeakPolarHBondContact O-CG1 3.24Å; Y154-I159 PolarHBondContact O-N 3.24Å; Y154-I159 VanDerWaalsContact O-N 3.11Å; Y154-I159 VanDerWaalsContact O-O 3.12Å; S157-I159 VanDerWaalsContact C-N 3.26Å; S157-I159 PolarHBondContact O-N 2.93Å | ||
| 160 | N | 94.7 | Very high | 94.7 | Very high | 132 Ų | 132 | 73.7 Ų | 73.7 | 71% | 0.706 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -73.5 | 142.9 | 179.9 | -67.5 | -33.8 | 0 | 0 | 0 | 111.3 | Y127 | Y127-N160 VanDerWaalsContact CE2-O 3.3Å; Y127-N160 WeakPolarHBondContact CE2-O 3.4Å; Y127-N160 PolarHBondContact OH-O 3.33Å |
| 161 | V | 96.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 74.8 Ų | 74.8 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 127.2 | 172.8 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | P155 C165 Y166 V171 | P155-V161 HydrophobicContact CG-CG2 4.27Å; V161-C165 HydrophobicContact CG1-CB 3.62Å; V161-Y166 HydrophobicContact CB-CE2 4Å; V161-Y166 HydrophobicContact CG1-CD2 4.46Å; V161-Y166 HydrophobicContact CG1-CE2 3.62Å; V161-V171 HydrophobicContact CG1-CG2 4.04Å |
| 162 | P | 96.5 | Very high | 94.8 | Very high | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.032 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 156.2 | -175.6 | 30.7 | -36.3 | 0 | 0 | 0 | 112.6 | F126 Y154 S164 C165 Y166 | F126-P162 HydrophobicContact CD1-CB 4.43Å; F126-P162 HydrophobicContact CE1-CB 3.5Å; F126-P162 VanDerWaalsContact CE1-CB 3.5Å; F126-P162 HydrophobicContact CE1-CG 4.08Å; F126-P162 HydrophobicContact CE2-CB 4.16Å; F126-P162 HydrophobicContact CE2-CG 4.07Å; F126-P162 HydrophobicContact CZ-CB 3.32Å; F126-P162 HydrophobicContact CZ-CG 3.73Å; Y154-P162 HydrophobicContact CE1-CG 4.02Å; Y154-P162 HydrophobicContact CE2-CG 3.95Å; P162-S164 PolarHBondContact O-N 2.94Å; P162-S164 VanDerWaalsContact O-N 3.17Å; P162-C165 WeakPolarHBondContact O-CB 3.26Å; P162-C165 PolarHBondContact O-N 2.97Å; P162-Y166 VanDerWaalsContact O-CD2 3.28Å; P162-Y166 WeakPolarHBondContact O-CD2 3.35Å; P162-Y166 WeakPolarHBondContact O-CE2 3.34Å |
| 163 | F | 96 | Very high | 94.7 | Very high | 194 Ų | 194 | 72.9 Ų | 72.9 | 85% | 0.851 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -59.4 | -27.6 | -179.8 | -72.2 | -68.8 | 0 | 0 | 0 | 113.9 | C165 Y166 | F163-C165 PolarHBondContact O-N 3.47Å; F163-Y166 PolarHBondContact O-N 2.97Å; F163-Y166 VanDerWaalsContact O-N 3.13Å |
| 164 | S | 96.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 76.4 Ų | 76.4 | 5% | 0.049 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -61.1 | -21.1 | 174.3 | 44.6 | 0 | 0 | 0 | 0 | 114.1 | D137 Q140 P162 Y166 | D137-S164 WeakPolarHBondContact OD1-CB 3.33Å; D137-S164 PolarHBondContact OD1-OG 3.35Å; Q140-S164 PolarHBondContact OE1-OG 3.27Å; P162-S164 PolarHBondContact O-N 2.94Å; P162-S164 VanDerWaalsContact O-N 3.17Å; S164-Y166 VanDerWaalsContact C-N 3.34Å |
| 165 | C | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -81 | -9.1 | 175.2 | -75.4 | 0 | 0 | 0 | 0 | 114.7 | Q140 C146 V161 P162 F163 V171 Y172 | Q140-C165 VanDerWaalsContact CD-SG 3.56Å; Q140-C165 PolarHBondContact NE2-SG 2.79Å; C146-C165 VanDerWaalsContact CA-SG 3.55Å; C146-C165 HydrophobicContact CB-CB 3.65Å; C146-C165 WeakPolarHBondContact CB-SG 3.08Å; C146-C165 WeakPolarHBondContact SG-CB 3.13Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 3.01Å; V161-C165 HydrophobicContact CG1-CB 3.62Å; P162-C165 WeakPolarHBondContact O-CB 3.26Å; P162-C165 PolarHBondContact O-N 2.97Å; F163-C165 PolarHBondContact O-N 3.47Å; C165-V171 HydrophobicContact CB-CG2 3.99Å; C165-V171 WeakPolarHBondContact O-CA 3.44Å; C165-Y172 WeakPolarHBondContact O-CD2 3.34Å; C165-Y172 PolarHBondContact O-N 3.49Å |
| 166 | Y | 97.1 | Very high | 94.9 | Very high | 91 Ų | 91 | 73.4 Ų | 73.4 | 36% | 0.357 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 146.1 | -170.6 | -68.6 | -91.6 | 0 | 0 | 0 | 113.1 | V161 P162 F163 S164 L170 V171 | V161-Y166 HydrophobicContact CB-CE2 4Å; V161-Y166 HydrophobicContact CG1-CD2 4.46Å; V161-Y166 HydrophobicContact CG1-CE2 3.62Å; P162-Y166 VanDerWaalsContact O-CD2 3.28Å; P162-Y166 WeakPolarHBondContact O-CD2 3.35Å; P162-Y166 WeakPolarHBondContact O-CE2 3.34Å; F163-Y166 PolarHBondContact O-N 2.97Å; F163-Y166 VanDerWaalsContact O-N 3.13Å; S164-Y166 VanDerWaalsContact C-N 3.34Å; Y166-L170 CarbonylContact C-O 3.34Å; Y166-L170 VanDerWaalsContact CA-O 3.25Å; Y166-L170 WeakPolarHBondContact CA-O 3.44Å; Y166-V171 HydrophobicContact CD1-CB 4.24Å; Y166-V171 HydrophobicContact CE1-CB 4.07Å; Y166-V171 HydrophobicContact CE1-CG2 4.45Å |
| 167 | V | 93.6 | Very high | 95 | Very high | 86 Ų | 86 | 67.8 Ų | 67.8 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 97.2 | 163.1 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | T169 L170 Y172 | V167-T169 PolarHBondContact O-N 3.32Å; V167-L170 PolarHBondContact N-O 3.35Å; V167-L170 PolarHBondContact O-N 3.46Å; V167-Y172 HydrophobicContact CG2-CD1 4.47Å; V167-Y172 HydrophobicContact CG2-CE1 3.45Å; V167-Y172 VanDerWaalsContact CG2-CE1 3.45Å; V167-Y172 HydrophobicContact CG2-CE2 4.32Å; V167-Y172 WeakPolarHBondContact CG2-OH 3.37Å |
| 168 | G | 92.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 75% | 0.753 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.1 | -118.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 169 | T | 92.5 | Very high | 95.4 | Very high | 135 Ų | 135 | 62.3 Ų | 62.3 | 83% | 0.828 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -6.7 | 179.1 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | V167 | V167-T169 PolarHBondContact O-N 3.32Š|
| 170 | L | 95.3 | Very high | 95.5 | Very high | 128 Ų | 128 | 60.6 Ų | 60.6 | 67% | 0.67 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 141 | -177.9 | -61.5 | 176.2 | 0 | 0 | 0 | 110.7 | Y166 V167 | Y166-L170 CarbonylContact C-O 3.34Å; Y166-L170 VanDerWaalsContact CA-O 3.25Å; Y166-L170 WeakPolarHBondContact CA-O 3.44Å; V167-L170 PolarHBondContact N-O 3.35Å; V167-L170 PolarHBondContact O-N 3.46Å |
| 171 | V | 96.4 | Very high | 95.3 | Very high | 46 Ų | 46 | 55.2 Ų | 55.2 | 28% | 0.279 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 142.2 | 174.9 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | C146 Y151 V161 C165 Y166 A173 | C146-V171 HydrophobicContact CB-CG2 4.4Å; Y151-V171 HydrophobicContact CD1-CG1 4.01Å; Y151-V171 HydrophobicContact CD2-CG1 4.24Å; Y151-V171 HydrophobicContact CE1-CG1 4.33Å; Y151-V171 HydrophobicContact CG-CG1 3.97Å; Y151-V171 HydrophobicContact CG-CG2 4.08Å; V161-V171 HydrophobicContact CG1-CG2 4.04Å; C165-V171 HydrophobicContact CB-CG2 3.99Å; C165-V171 WeakPolarHBondContact O-CA 3.44Å; Y166-V171 HydrophobicContact CD1-CB 4.24Å; Y166-V171 HydrophobicContact CE1-CB 4.07Å; Y166-V171 HydrophobicContact CE1-CG2 4.45Å; V171-A173 PolarHBondContact O-N 3.44Å |
| 172 | Y | 97.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 17% | 0.169 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 124.9 | 173.1 | -62.4 | -56.2 | 0 | 0 | 0 | 110.9 | R144 C145 C146 C165 V167 | R144-Y172 HydrophobicContact CB-CD1 3.9Å; R144-Y172 HydrophobicContact CB-CE1 3.49Å; R144-Y172 VanDerWaalsContact CB-CE1 3.49Å; R144-Y172 HydrophobicContact CB-CE2 4.33Å; R144-Y172 HydrophobicContact CB-CG 4.48Å; R144-Y172 HydrophobicContact CG-CE1 3.91Å; R144-Y172 WeakPolarHBondContact O-CD1 3.44Å; C145-Y172 WeakPolarHBondContact O-CD2 3.42Å; C146-Y172 WeakPolarHBondContact CB-O 3.5Å; C165-Y172 WeakPolarHBondContact O-CD2 3.34Å; C165-Y172 PolarHBondContact O-N 3.49Å; V167-Y172 HydrophobicContact CG2-CD1 4.47Å; V167-Y172 HydrophobicContact CG2-CE1 3.45Å; V167-Y172 VanDerWaalsContact CG2-CE1 3.45Å; V167-Y172 HydrophobicContact CG2-CE2 4.32Å; V167-Y172 WeakPolarHBondContact CG2-OH 3.37Å |
| 173 | A | 94.7 | Very high | 95 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 69% | 0.694 | 33% | 0.328 | S | S | * | . | trans | -77 | -30.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V171 | V171-A173 PolarHBondContact O-N 3.44Š| ||
| 174 | R | 96.9 | Very high | 94.8 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 35% | 0.347 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -76.2 | 134.2 | -174.2 | -168.2 | 175.8 | -164.5 | -165 | 1.6 | 111.8 | C145 C146 E178 A179 D182 | C145-R174 CarbonylContact C-O 3.58Å; C145-R174 WeakPolarHBondContact CA-O 3.5Å; C145-R174 WeakPolarHBondContact CB-O 3.4Å; C146-R174 PolarHBondContact N-O 2.86Å; R174-E178 IonicContact CZ-OE1 3.36Å; R174-E178 IonicContact NE-OE1 2.96Å; R174-E178 PolarHBondContact NE-OE1 3.26Å; R174-E178 IonicContact NH2-OE1 2.81Å; R174-E178 PolarHBondContact NH2-OE1 3.32Å; R174-A179 HydrophobicContact CG-CB 4.34Å; R174-D182 IonicContact CZ-OD2 3.72Å; R174-D182 VanDerWaalsContact NH2-CG 3.32Å; R174-D182 IonicContact NH2-OD2 2.62Å; R174-D182 PolarHBondContact NH2-OD2 3.22Å |
| 175 | G | 96.8 | Very high | 94.6 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | trans | -71.9 | 144.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A148 T149 V177 E178 A179 | A148-G175 CarbonylContact O-C 3.28Å; A148-G175 WeakPolarHBondContact O-CA 3.43Å; T149-G175 VanDerWaalsContact C-CA 3.49Å; T149-G175 VanDerWaalsContact O-CA 3.24Å; T149-G175 WeakPolarHBondContact O-CA 3.38Å; T149-G175 PolarHBondContact O-N 2.94Å; G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 3.16Å; G175-E178 PolarHBondContact O-N 3.2Å; G175-A179 PolarHBondContact O-N 3.44Å; G175-A179 VanDerWaalsContact O-N 3.11Å | ||
| 176 | C | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -71 | -25.2 | -178.9 | -67.1 | 0 | 0 | 0 | 0 | 114.2 | V119 M136 L139 C145 G147 A148 F180 | V119-C176 HydrophobicContact CG1-CB 4.15Å; M136-C176 HydrophobicContact CE-CB 4.14Å; L139-C176 HydrophobicContact CD2-CB 3.66Å; L139-C176 HydrophobicContact CG-CB 4.09Å; C145-C176 HydrophobicContact CB-CB 3.9Å; C145-C176 WeakPolarHBondContact CB-SG 3.04Å; C145-C176 WeakPolarHBondContact SG-CA 3.27Å; C145-C176 WeakPolarHBondContact SG-CB 3.14Å; C145-C176 CovalentContact SG-SG 2.04Å; C145-C176 PolarHBondContact SG-SG 2.81Å; G147-C176 WeakPolarHBondContact O-CB 3.26Å; G147-C176 PolarHBondContact O-N 3.26Å; G147-C176 VanDerWaalsContact O-N 3.09Å; G147-C176 PolarHBondContact O-SG 2.62Å; G147-C176 VanDerWaalsContact O-SG 3.41Å; A148-C176 PolarHBondContact O-N 3.26Å; C176-F180 WeakPolarHBondContact O-CB 3.19Å; C176-F180 PolarHBondContact O-N 3.22Å |
| 177 | V | 94.4 | Very high | 94.3 | Very high | 21 Ų | 21 | 56.7 Ų | 56.7 | 13% | 0.127 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.2 | -50.2 | 172.5 | 163.9 | 0 | 0 | 0 | 0 | 110.6 | N116 V119 A148 G175 N181 | N116-V177 HydrophobicContact CB-CG1 4.2Å; N116-V177 HydrophobicContact CB-CG2 4.44Å; N116-V177 VanDerWaalsContact CG-CG1 3.46Å; N116-V177 WeakPolarHBondContact OD1-CG1 3.24Å; V119-V177 HydrophobicContact CB-CG2 3.84Å; V119-V177 HydrophobicContact CG1-CG2 3.96Å; V119-V177 HydrophobicContact CG2-CG2 4.36Å; A148-V177 HydrophobicContact CB-CG2 4.06Å; A148-V177 VanDerWaalsContact O-CB 3.26Å; A148-V177 WeakPolarHBondContact O-CB 3.29Å; A148-V177 WeakPolarHBondContact O-CG2 3.13Å; A148-V177 PolarHBondContact O-N 3.31Å; G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 3.16Å; V177-N181 VanDerWaalsContact O-CB 3.24Å; V177-N181 WeakPolarHBondContact O-CB 3.23Å; V177-N181 PolarHBondContact O-N 3.44Å; V177-N181 PolarHBondContact O-ND2 3.08Å |
| 178 | E | 94.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.9 | -48.2 | -179.8 | -167.7 | -158.2 | 120.7 | 0 | 0 | 110.9 | R174 G175 F180 N181 D182 | R174-E178 IonicContact CZ-OE1 3.36Å; R174-E178 IonicContact NE-OE1 2.96Å; R174-E178 PolarHBondContact NE-OE1 3.26Å; R174-E178 IonicContact NH2-OE1 2.81Å; R174-E178 PolarHBondContact NH2-OE1 3.32Å; G175-E178 PolarHBondContact O-N 3.2Å; E178-F180 VanDerWaalsContact C-N 3.33Å; E178-F180 PolarHBondContact O-N 2.98Å; E178-N181 PolarHBondContact O-N 3.16Å; E178-D182 WeakPolarHBondContact O-CB 3.34Å; E178-D182 PolarHBondContact O-N 3.4Å |
| 179 | A | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 53.4 Ų | 53.4 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.3 | -41.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F143 C145 R174 G175 Y183 | F143-A179 HydrophobicContact CB-CB 4.08Å; C145-A179 HydrophobicContact CB-CB 3.85Å; R174-A179 HydrophobicContact CG-CB 4.34Å; G175-A179 PolarHBondContact O-N 3.44Å; G175-A179 VanDerWaalsContact O-N 3.11Å; A179-Y183 PolarHBondContact O-N 3.34Å |
| 180 | F | 93.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.3 | -41.8 | 179.4 | -173.6 | -111.2 | 0 | 0 | 0 | 112.4 | I39 L42 F46 F111 L139 F143 C176 E178 D182 Y183 L184 | I39-F180 HydrophobicContact CG1-CZ 4.43Å; L42-F180 HydrophobicContact CD1-CD2 4.21Å; L42-F180 HydrophobicContact CD1-CE2 3.66Å; L42-F180 HydrophobicContact CD1-CZ 4.1Å; F46-F180 HydrophobicContact CD2-CE1 4.33Å; F46-F180 HydrophobicContact CD2-CZ 4.25Å; F46-F180 HydrophobicContact CE1-CD1 4.44Å; F46-F180 HydrophobicContact CE1-CE1 4.03Å; F46-F180 HydrophobicContact CE2-CD1 4.2Å; F46-F180 AromaticContact CE2-CE1 3.36Å; F46-F180 HydrophobicContact CE2-CE1 3.36Å; F46-F180 HydrophobicContact CE2-CE2 4.13Å; F46-F180 AromaticContact CE2-CZ 3.32Å; F46-F180 HydrophobicContact CE2-CZ 3.32Å; F46-F180 AromaticContact CZ-CD1 3.64Å; F46-F180 HydrophobicContact CZ-CD1 3.64Å; F46-F180 AromaticContact CZ-CE1 3.18Å; F46-F180 HydrophobicContact CZ-CE1 3.18Å; F46-F180 HydrophobicContact CZ-CE2 4.44Å; F46-F180 HydrophobicContact CZ-CG 4.41Å; F46-F180 AromaticContact CZ-CZ 3.66Å; F46-F180 HydrophobicContact CZ-CZ 3.66Å; F111-F180 HydrophobicContact CE1-CE1 4.24Å; F111-F180 HydrophobicContact CZ-CE1 4.23Å; L139-F180 HydrophobicContact CD1-CB 4.19Å; L139-F180 HydrophobicContact CD1-CD2 3.79Å; L139-F180 HydrophobicContact CD1-CE2 4.49Å; L139-F180 HydrophobicContact CD1-CG 4.16Å; F143-F180 HydrophobicContact CD2-CD2 4.48Å; F143-F180 HydrophobicContact CE1-CD2 4.48Å; F143-F180 AromaticContact CE2-CD2 3.87Å; F143-F180 HydrophobicContact CE2-CD2 3.87Å; F143-F180 HydrophobicContact CE2-CE2 4.33Å; F143-F180 AromaticContact CZ-CD2 3.86Å; F143-F180 HydrophobicContact CZ-CD2 3.86Å; F143-F180 HydrophobicContact CZ-CE2 4.27Å; C176-F180 WeakPolarHBondContact O-CB 3.19Å; C176-F180 PolarHBondContact O-N 3.22Å; E178-F180 VanDerWaalsContact C-N 3.33Å; E178-F180 PolarHBondContact O-N 2.98Å; F180-D182 VanDerWaalsContact C-N 3.33Å; F180-D182 PolarHBondContact O-N 3.04Å; F180-Y183 PolarHBondContact O-N 3.11Å; F180-L184 HydrophobicContact CD1-CD1 3.84Å; F180-L184 HydrophobicContact CD1-CG 4.43Å; F180-L184 HydrophobicContact CE1-CD1 3.26Å; F180-L184 HydrophobicContact CE1-CG 4.05Å; F180-L184 HydrophobicContact CE2-CD1 4.36Å; F180-L184 HydrophobicContact CE2-CG 4.34Å; F180-L184 HydrophobicContact CZ-CD1 3.56Å; F180-L184 HydrophobicContact CZ-CD2 4.32Å; F180-L184 HydrophobicContact CZ-CG 3.99Å; F180-L184 PolarHBondContact O-N 2.72Å |
| 181 | N | 91.4 | Very high | 94.7 | Very high | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.102 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 176 | -77.7 | -25.1 | 0 | 0 | 0 | 111.3 | N116 V177 E178 Y183 L184 Q185 | N116-N181 PolarHBondContact OD1-ND2 3.43Å; V177-N181 VanDerWaalsContact O-CB 3.24Å; V177-N181 WeakPolarHBondContact O-CB 3.23Å; V177-N181 PolarHBondContact O-N 3.44Å; V177-N181 PolarHBondContact O-ND2 3.08Å; E178-N181 PolarHBondContact O-N 3.16Å; N181-Y183 PolarHBondContact O-N 3.36Å; N181-L184 PolarHBondContact O-N 2.68Å; N181-Q185 WeakPolarHBondContact O-CB 3.37Å; N181-Q185 VanDerWaalsContact O-CG 3.26Å; N181-Q185 WeakPolarHBondContact O-CG 3.33Å; N181-Q185 PolarHBondContact O-N 2.88Å |
| 182 | D | 93.4 | Very high | 94.6 | Very high | 85 Ų | 85 | 44.1 Ų | 44.1 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 176.3 | -86.5 | 16.9 | 0 | 0 | 0 | 112.4 | R174 E178 F180 L184 Q185 Q186 | R174-D182 IonicContact CZ-OD2 3.72Å; R174-D182 VanDerWaalsContact NH2-CG 3.32Å; R174-D182 IonicContact NH2-OD2 2.62Å; R174-D182 PolarHBondContact NH2-OD2 3.22Å; E178-D182 WeakPolarHBondContact O-CB 3.34Å; E178-D182 PolarHBondContact O-N 3.4Å; F180-D182 VanDerWaalsContact C-N 3.33Å; F180-D182 PolarHBondContact O-N 3.04Å; D182-L184 PolarHBondContact O-N 2.56Å; D182-Q185 PolarHBondContact O-N 2.88Å; D182-Q186 WeakPolarHBondContact O-CB 2.95Å; D182-Q186 PolarHBondContact O-N 3.3Å |
| 183 | Y | 93.1 | Very high | 94.5 | Very high | 39 Ų | 39 | 45 Ų | 45 | 15% | 0.153 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.6 | -47.2 | 175.2 | 167.8 | -95.6 | 0 | 0 | 0 | 111.7 | T38 F143 A179 F180 N181 Q186 N187 | T38-Y183 HydrophobicContact CG2-CE1 3.92Å; T38-Y183 PolarHBondContact OG1-OH 3.33Å; T38-Y183 VanDerWaalsContact OG1-OH 3.13Å; F143-Y183 HydrophobicContact CD1-CG 4.5Å; F143-Y183 VanDerWaalsContact CE1-CB 3.46Å; F143-Y183 AromaticContact CE1-CD1 3.85Å; F143-Y183 HydrophobicContact CE1-CD1 3.85Å; F143-Y183 AromaticContact CE1-CD2 3.7Å; F143-Y183 HydrophobicContact CE1-CD2 3.7Å; F143-Y183 HydrophobicContact CE1-CE2 4.36Å; F143-Y183 AromaticContact CE1-CG 3.39Å; F143-Y183 HydrophobicContact CE1-CG 3.39Å; F143-Y183 AromaticContact CZ-CD1 3.86Å; F143-Y183 HydrophobicContact CZ-CD1 3.86Å; F143-Y183 HydrophobicContact CZ-CD2 4.28Å; F143-Y183 HydrophobicContact CZ-CE1 4.24Å; F143-Y183 AromaticContact CZ-CG 3.89Å; F143-Y183 HydrophobicContact CZ-CG 3.89Å; A179-Y183 PolarHBondContact O-N 3.34Å; F180-Y183 PolarHBondContact O-N 3.11Å; N181-Y183 PolarHBondContact O-N 3.36Å; Y183-Q186 PolarHBondContact O-N 2.87Å; Y183-N187 VanDerWaalsContact CE2-ND2 3.32Å; Y183-N187 WeakPolarHBondContact CE2-ND2 3.42Å; Y183-N187 VanDerWaalsContact CZ-ND2 3.32Å; Y183-N187 PolarHBondContact O-N 2.82Å; Y183-N187 PolarHBondContact O-ND2 3.38Å |
| 184 | L | 91.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.1 | -42.6 | -179.8 | -74.2 | -178 | 0 | 0 | 0 | 112.2 | I39 I54 F111 F180 N181 D182 Q186 N187 I188 | I39-L184 HydrophobicContact CD1-CD2 3.96Å; I39-L184 HydrophobicContact CG1-CD2 4.27Å; I54-L184 HydrophobicContact CD1-CD2 4.26Å; F111-L184 HydrophobicContact CD1-CD1 4.03Å; F111-L184 HydrophobicContact CE1-CD1 3.09Å; F111-L184 HydrophobicContact CZ-CD1 3.59Å; F180-L184 HydrophobicContact CD1-CD1 3.84Å; F180-L184 HydrophobicContact CD1-CG 4.43Å; F180-L184 HydrophobicContact CE1-CD1 3.26Å; F180-L184 HydrophobicContact CE1-CG 4.05Å; F180-L184 HydrophobicContact CE2-CD1 4.36Å; F180-L184 HydrophobicContact CE2-CG 4.34Å; F180-L184 HydrophobicContact CZ-CD1 3.56Å; F180-L184 HydrophobicContact CZ-CD2 4.32Å; F180-L184 HydrophobicContact CZ-CG 3.99Å; F180-L184 PolarHBondContact O-N 2.72Å; N181-L184 PolarHBondContact O-N 2.68Å; D182-L184 PolarHBondContact O-N 2.56Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 2.83Å; L184-N187 PolarHBondContact O-N 2.97Å; L184-I188 WeakPolarHBondContact O-CB 3.5Å; L184-I188 WeakPolarHBondContact O-CG1 3.28Å; L184-I188 PolarHBondContact O-N 3.26Å |
| 185 | Q | 92.5 | Very high | 94.6 | Very high | 67 Ų | 67 | 38.6 Ų | 38.6 | 31% | 0.313 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 175.3 | -74.2 | -53.8 | -64.2 | 0 | 0 | 110.9 | Q112 N181 D182 N187 I188 V189 | Q112-Q185 VanDerWaalsContact NE2-CD 3.28Å; N181-Q185 WeakPolarHBondContact O-CB 3.37Å; N181-Q185 VanDerWaalsContact O-CG 3.26Å; N181-Q185 WeakPolarHBondContact O-CG 3.33Å; N181-Q185 PolarHBondContact O-N 2.88Å; D182-Q185 PolarHBondContact O-N 2.88Å; Q185-N187 PolarHBondContact O-N 3.48Å; Q185-I188 PolarHBondContact O-N 3.18Å; Q185-V189 VanDerWaalsContact O-CB 3.32Å; Q185-V189 WeakPolarHBondContact O-CB 3.02Å; Q185-V189 WeakPolarHBondContact O-CG2 3.36Å; Q185-V189 PolarHBondContact O-N 3.5Å |
| 186 | Q | 93.8 | Very high | 94.6 | Very high | 137 Ų | 137 | 45.2 Ų | 45.2 | 64% | 0.64 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -60.4 | -47 | 175.8 | -171 | 177.5 | 23.8 | 0 | 0 | 111.8 | D182 Y183 L184 V190 | D182-Q186 WeakPolarHBondContact O-CB 2.95Å; D182-Q186 PolarHBondContact O-N 3.3Å; Y183-Q186 PolarHBondContact O-N 2.87Å; L184-Q186 VanDerWaalsContact C-N 3.29Å; L184-Q186 PolarHBondContact O-N 2.83Å; Q186-V190 WeakPolarHBondContact O-CB 3.38Å; Q186-V190 VanDerWaalsContact O-CG2 3.22Å; Q186-V190 WeakPolarHBondContact O-CG2 3.39Å; Q186-V190 PolarHBondContact O-N 3.41Å |
| 187 | N | 94 | Very high | 94.6 | Very high | 22 Ų | 22 | 48.8 Ų | 48.8 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.4 | -79.7 | -84.7 | 0 | 0 | 0 | 112.1 | Y183 L184 Q185 V190 L191 | Y183-N187 VanDerWaalsContact CE2-ND2 3.32Å; Y183-N187 WeakPolarHBondContact CE2-ND2 3.42Å; Y183-N187 VanDerWaalsContact CZ-ND2 3.32Å; Y183-N187 PolarHBondContact O-N 2.82Å; Y183-N187 PolarHBondContact O-ND2 3.38Å; L184-N187 PolarHBondContact O-N 2.97Å; Q185-N187 PolarHBondContact O-N 3.48Å; N187-V190 PolarHBondContact O-N 3.24Å; N187-L191 VanDerWaalsContact O-CG 3.32Å; N187-L191 WeakPolarHBondContact O-CG 3.39Å; N187-L191 PolarHBondContact O-N 3.41Å |
| 188 | I | 94 | Very high | 94.7 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 179.2 | -70 | 170.4 | 0 | 0 | 0 | 110.8 | P51 I53 T104 L184 Q185 V190 L191 I192 | P51-I188 HydrophobicContact CB-CD1 4.17Å; P51-I188 HydrophobicContact CG-CD1 4.37Å; I53-I188 HydrophobicContact CG2-CG1 3.92Å; T104-I188 HydrophobicContact CG2-CG2 3.66Å; L184-I188 WeakPolarHBondContact O-CB 3.5Å; L184-I188 WeakPolarHBondContact O-CG1 3.28Å; L184-I188 PolarHBondContact O-N 3.26Å; Q185-I188 PolarHBondContact O-N 3.18Å; I188-V190 VanDerWaalsContact C-N 3.34Å; I188-V190 PolarHBondContact O-N 3.02Å; I188-L191 PolarHBondContact O-N 3.24Å; I188-I192 HydrophobicContact CG2-CD1 3.72Å; I188-I192 HydrophobicContact CG2-CG1 4.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.01Å; I188-I192 PolarHBondContact O-N 3.17Å |
| 189 | V | 94.8 | Very high | 94.8 | Very high | 80 Ų | 80 | 45.2 Ų | 45.2 | 49% | 0.485 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 179.4 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | Q185 I192 S193 | Q185-V189 VanDerWaalsContact O-CB 3.32Å; Q185-V189 WeakPolarHBondContact O-CB 3.02Å; Q185-V189 WeakPolarHBondContact O-CG2 3.36Å; Q185-V189 PolarHBondContact O-N 3.5Å; V189-I192 PolarHBondContact O-N 3.13Å; V189-S193 WeakPolarHBondContact O-CB 3.19Å; V189-S193 PolarHBondContact O-N 3.31Å; V189-S193 PolarHBondContact O-OG 2.04Å |
| 190 | V | 96.4 | Very high | 94.8 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 38% | 0.376 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -47 | 174.1 | 169.6 | 0 | 0 | 0 | 0 | 110.8 | L31 Q186 N187 I188 S193 L194 | L31-V190 HydrophobicContact CD1-CG1 3.91Å; Q186-V190 WeakPolarHBondContact O-CB 3.38Å; Q186-V190 VanDerWaalsContact O-CG2 3.22Å; Q186-V190 WeakPolarHBondContact O-CG2 3.39Å; Q186-V190 PolarHBondContact O-N 3.41Å; N187-V190 PolarHBondContact O-N 3.24Å; I188-V190 VanDerWaalsContact C-N 3.34Å; I188-V190 PolarHBondContact O-N 3.02Å; V190-S193 PolarHBondContact O-N 3.27Å; V190-L194 HydrophobicContact CG1-CD1 4.03Å; V190-L194 HydrophobicContact CG1-CG 4.45Å; V190-L194 VanDerWaalsContact O-CB 3.31Å; V190-L194 WeakPolarHBondContact O-CB 3.24Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.25Å; V190-L194 PolarHBondContact O-N 3.41Å |
| 191 | L | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 178.2 | -71.7 | 173.8 | 0 | 0 | 0 | 112.4 | L28 L31 I53 A57 N187 I188 S193 L194 F195 | L28-L191 HydrophobicContact CD2-CD2 3.91Å; L31-L191 HydrophobicContact CB-CD2 4.23Å; L31-L191 HydrophobicContact CD1-CD2 4.3Å; I53-L191 HydrophobicContact CD1-CB 3.75Å; I53-L191 HydrophobicContact CG1-CB 4.13Å; I53-L191 HydrophobicContact CG1-CD1 4.14Å; I53-L191 HydrophobicContact CG2-CD1 4.35Å; A57-L191 HydrophobicContact CB-CD1 4.15Å; A57-L191 HydrophobicContact CB-CD2 3.86Å; N187-L191 VanDerWaalsContact O-CG 3.32Å; N187-L191 WeakPolarHBondContact O-CG 3.39Å; N187-L191 PolarHBondContact O-N 3.41Å; I188-L191 PolarHBondContact O-N 3.24Å; L191-S193 PolarHBondContact O-N 3.03Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 3.09Å; L191-F195 WeakPolarHBondContact O-CG 3.43Å; L191-F195 PolarHBondContact O-N 3.43Å |
| 192 | I | 95.1 | Very high | 95.3 | Very high | 49 Ų | 49 | 51.2 Ų | 51.2 | 25% | 0.251 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 176.8 | -69.7 | 173.4 | 0 | 0 | 0 | 110.7 | I53 T104 I188 V189 L194 F195 F196 | I53-I192 HydrophobicContact CD1-CD1 4.49Å; I53-I192 HydrophobicContact CD1-CG1 3.64Å; T104-I192 HydrophobicContact CG2-CD1 4.27Å; I188-I192 HydrophobicContact CG2-CD1 3.72Å; I188-I192 HydrophobicContact CG2-CG1 4.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.01Å; I188-I192 PolarHBondContact O-N 3.17Å; V189-I192 PolarHBondContact O-N 3.13Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 3.07Å; I192-F195 PolarHBondContact O-N 2.87Å; I192-F196 WeakPolarHBondContact O-CB 3.07Å; I192-F196 PolarHBondContact O-N 2.95Å |
| 193 | S | 95.9 | Very high | 95.4 | Very high | 61 Ų | 61 | 49.1 Ų | 49.1 | 43% | 0.427 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -43.2 | 178.4 | -58 | 0 | 0 | 0 | 0 | 111.3 | V189 V190 L191 F196 V197 | V189-S193 WeakPolarHBondContact O-CB 3.19Å; V189-S193 PolarHBondContact O-N 3.31Å; V189-S193 PolarHBondContact O-OG 2.04Å; V190-S193 PolarHBondContact O-N 3.27Å; L191-S193 PolarHBondContact O-N 3.03Å; S193-F196 PolarHBondContact O-N 3.42Å; S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 2.04Å |
| 194 | L | 97 | Very high | 95.6 | Very high | 36 Ų | 36 | 51.1 Ų | 51.1 | 19% | 0.188 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 175.4 | -82.5 | -179.2 | 0 | 0 | 0 | 112.2 | F24 V27 L28 L31 V190 L191 I192 F196 F198 | F24-L194 HydrophobicContact CE2-CB 4.01Å; F24-L194 HydrophobicContact CE2-CD2 4.36Å; V27-L194 HydrophobicContact CG1-CD1 4.12Å; L28-L194 HydrophobicContact CD2-CD1 4.34Å; L31-L194 HydrophobicContact CD1-CD1 3.71Å; V190-L194 HydrophobicContact CG1-CD1 4.03Å; V190-L194 HydrophobicContact CG1-CG 4.45Å; V190-L194 VanDerWaalsContact O-CB 3.31Å; V190-L194 WeakPolarHBondContact O-CB 3.24Å; V190-L194 VanDerWaalsContact O-CG 3.3Å; V190-L194 WeakPolarHBondContact O-CG 3.25Å; V190-L194 PolarHBondContact O-N 3.41Å; L191-L194 WeakPolarHBondContact O-CB 3.48Å; L191-L194 PolarHBondContact O-N 3.09Å; I192-L194 VanDerWaalsContact C-N 3.32Å; I192-L194 PolarHBondContact O-N 3.07Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.17Å; L194-F198 HydrophobicContact CD2-CD2 4.27Å; L194-F198 HydrophobicContact CD2-CE2 4.1Å; L194-F198 WeakPolarHBondContact O-CB 3.19Å; L194-F198 PolarHBondContact O-N 2.89Å |
| 195 | F | 96.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.1 | -74 | -2.2 | 0 | 0 | 0 | 112.2 | F24 L28 I53 A57 I60 E97 I100 L191 I192 G199 | F24-F195 HydrophobicContact CZ-CD1 4.28Å; L28-F195 HydrophobicContact CD1-CE1 3.87Å; L28-F195 HydrophobicContact CD2-CD1 4.23Å; L28-F195 HydrophobicContact CD2-CE1 3.69Å; L28-F195 HydrophobicContact CG-CE1 4.45Å; I53-F195 HydrophobicContact CD1-CD2 4.48Å; I53-F195 HydrophobicContact CD1-CE2 4.21Å; I53-F195 HydrophobicContact CG1-CE2 3.98Å; A57-F195 HydrophobicContact CB-CZ 4.16Å; I60-F195 HydrophobicContact CD1-CE1 4.03Å; I60-F195 HydrophobicContact CD1-CE2 3.91Å; I60-F195 HydrophobicContact CD1-CZ 3.46Å; I60-F195 VanDerWaalsContact CD1-CZ 3.46Å; E97-F195 HydrophobicContact CB-CB 4.31Å; E97-F195 HydrophobicContact CB-CD2 4.3Å; E97-F195 HydrophobicContact CB-CG 4.2Å; E97-F195 HydrophobicContact CG-CB 4.4Å; E97-F195 HydrophobicContact CG-CD1 3.93Å; E97-F195 HydrophobicContact CG-CD2 4.29Å; E97-F195 HydrophobicContact CG-CE1 4.24Å; E97-F195 HydrophobicContact CG-CG 3.96Å; I100-F195 HydrophobicContact CG2-CE2 4.2Å; L191-F195 WeakPolarHBondContact O-CG 3.43Å; L191-F195 PolarHBondContact O-N 3.43Å; I192-F195 PolarHBondContact O-N 2.87Å; F195-G199 WeakPolarHBondContact O-CA 3.18Å; F195-G199 PolarHBondContact O-N 3.38Å |
| 196 | F | 95.3 | Very high | 96 | Very high | 142 Ų | 142 | 48.8 Ų | 48.8 | 62% | 0.623 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.2 | -53.8 | 178.4 | -178 | -102.6 | 0 | 0 | 0 | 111.8 | I192 S193 L194 G199 I200 | I192-F196 WeakPolarHBondContact O-CB 3.07Å; I192-F196 PolarHBondContact O-N 2.95Å; S193-F196 PolarHBondContact O-N 3.42Å; L194-F196 VanDerWaalsContact C-N 3.33Å; L194-F196 PolarHBondContact O-N 3.17Å; F196-G199 PolarHBondContact O-N 3.26Å; F196-I200 HydrophobicContact CD1-CD1 4.2Å; F196-I200 HydrophobicContact CE1-CD1 3.71Å; F196-I200 HydrophobicContact CE2-CD1 4.17Å; F196-I200 HydrophobicContact CZ-CD1 3.7Å; F196-I200 WeakPolarHBondContact O-CG1 3.36Å; F196-I200 PolarHBondContact O-N 2.82Å; F196-I200 VanDerWaalsContact O-N 3.12Å |
| 197 | V | 96.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 48 Ų | 48 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.5 | -52 | -177.6 | 173 | 0 | 0 | 0 | 0 | 111.1 | S193 G199 I200 I201 | S193-V197 WeakPolarHBondContact O-CG2 3.3Å; S193-V197 PolarHBondContact O-N 2.04Å; V197-G199 VanDerWaalsContact C-N 3.31Å; V197-G199 PolarHBondContact O-N 2.96Å; V197-I200 PolarHBondContact O-N 2.92Å; V197-I201 HydrophobicContact CG1-CD1 4.08Å; V197-I201 WeakPolarHBondContact O-CG1 3.41Å; V197-I201 PolarHBondContact O-N 3.3Å |
| 198 | F | 96.9 | Very high | 96.1 | Very high | 41 Ų | 41 | 49.1 Ų | 49.1 | 18% | 0.18 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74.1 | -23.2 | 180 | -79.5 | -91.7 | 0 | 0 | 0 | 112.6 | F21 F24 L194 K202 | F21-F198 HydrophobicContact CD1-CD1 4.21Å; F21-F198 HydrophobicContact CE1-CD1 4.41Å; F24-F198 HydrophobicContact CB-CD1 3.77Å; F24-F198 HydrophobicContact CB-CE1 3.53Å; F24-F198 HydrophobicContact CB-CE2 4.41Å; F24-F198 HydrophobicContact CB-CG 4.32Å; F24-F198 HydrophobicContact CB-CZ 3.87Å; F24-F198 HydrophobicContact CD1-CB 4.1Å; F24-F198 AromaticContact CD1-CD1 3.96Å; F24-F198 HydrophobicContact CD1-CD1 3.96Å; F24-F198 AromaticContact CD1-CG 4Å; F24-F198 HydrophobicContact CD1-CG 4Å; F24-F198 HydrophobicContact CD2-CB 4.05Å; F24-F198 AromaticContact CD2-CD1 3.77Å; F24-F198 HydrophobicContact CD2-CD1 3.77Å; F24-F198 AromaticContact CD2-CD2 3.26Å; F24-F198 HydrophobicContact CD2-CD2 3.26Å; F24-F198 AromaticContact CD2-CE1 3.97Å; F24-F198 HydrophobicContact CD2-CE1 3.97Å; F24-F198 AromaticContact CD2-CE2 3.48Å; F24-F198 HydrophobicContact CD2-CE2 3.48Å; F24-F198 VanDerWaalsContact CD2-CE2 3.48Å; F24-F198 AromaticContact CD2-CG 3.4Å; F24-F198 HydrophobicContact CD2-CG 3.4Å; F24-F198 AromaticContact CD2-CZ 3.83Å; F24-F198 HydrophobicContact CD2-CZ 3.83Å; F24-F198 HydrophobicContact CE1-CB 3.77Å; F24-F198 HydrophobicContact CE1-CD1 4.49Å; F24-F198 HydrophobicContact CE1-CG 4.11Å; F24-F198 HydrophobicContact CE2-CB 3.69Å; F24-F198 HydrophobicContact CE2-CD1 4.3Å; F24-F198 AromaticContact CE2-CD2 3.35Å; F24-F198 HydrophobicContact CE2-CD2 3.35Å; F24-F198 HydrophobicContact CE2-CE2 4Å; F24-F198 AromaticContact CE2-CG 3.51Å; F24-F198 HydrophobicContact CE2-CG 3.51Å; F24-F198 HydrophobicContact CG-CB 4.22Å; F24-F198 AromaticContact CG-CD1 3.55Å; F24-F198 HydrophobicContact CG-CD1 3.55Å; F24-F198 AromaticContact CG-CD2 3.96Å; F24-F198 HydrophobicContact CG-CD2 3.96Å; F24-F198 AromaticContact CG-CE1 3.8Å; F24-F198 HydrophobicContact CG-CE1 3.8Å; F24-F198 HydrophobicContact CG-CE2 4.17Å; F24-F198 AromaticContact CG-CG 3.64Å; F24-F198 HydrophobicContact CG-CG 3.64Å; F24-F198 HydrophobicContact CG-CZ 4.09Å; F24-F198 HydrophobicContact CZ-CB 3.54Å; F24-F198 HydrophobicContact CZ-CD2 4.13Å; F24-F198 AromaticContact CZ-CG 3.87Å; F24-F198 HydrophobicContact CZ-CG 3.87Å; L194-F198 HydrophobicContact CD2-CD2 4.27Å; L194-F198 HydrophobicContact CD2-CE2 4.1Å; L194-F198 WeakPolarHBondContact O-CB 3.19Å; L194-F198 PolarHBondContact O-N 2.89Å; F198-K202 VanDerWaalsContact O-CB 3.22Å; F198-K202 WeakPolarHBondContact O-CB 3.3Å; F198-K202 WeakPolarHBondContact O-CG 3.45Å; F198-K202 PolarHBondContact O-N 3.11Å; F198-K202 PolarHBondContact O-NZ 3.31Å |
| 199 | G | 96.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 9% | 0.093 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.2 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | F195 F196 V197 S203 | F195-G199 WeakPolarHBondContact O-CA 3.18Å; F195-G199 PolarHBondContact O-N 3.38Å; F196-G199 PolarHBondContact O-N 3.26Å; V197-G199 VanDerWaalsContact C-N 3.31Å; V197-G199 PolarHBondContact O-N 2.96Å; G199-S203 VanDerWaalsContact O-CB 3.29Å; G199-S203 WeakPolarHBondContact O-CB 3.39Å; G199-S203 PolarHBondContact O-N 3.17Å; G199-S203 PolarHBondContact O-OG 2.94Å |
| 200 | I | 96.5 | Very high | 96.1 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63 | -50.4 | 174.2 | -65.8 | 168.1 | 0 | 0 | 0 | 110.5 | F196 V197 K202 S203 V204 | F196-I200 HydrophobicContact CD1-CD1 4.2Å; F196-I200 HydrophobicContact CE1-CD1 3.71Å; F196-I200 HydrophobicContact CE2-CD1 4.17Å; F196-I200 HydrophobicContact CZ-CD1 3.7Å; F196-I200 WeakPolarHBondContact O-CG1 3.36Å; F196-I200 PolarHBondContact O-N 2.82Å; F196-I200 VanDerWaalsContact O-N 3.12Å; V197-I200 PolarHBondContact O-N 2.92Å; I200-K202 PolarHBondContact O-N 3.08Å; I200-S203 PolarHBondContact O-N 2.87Å; I200-V204 WeakPolarHBondContact O-CG2 3.4Å; I200-V204 PolarHBondContact O-N 3.29Å |
| 201 | I | 97 | Very high | 95.9 | Very high | 64 Ų | 64 | 52.6 Ų | 52.6 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -46.6 | -179.3 | -62.9 | 168.1 | 0 | 0 | 0 | 110.7 | L17 F21 V197 V204 Y205 | L17-I201 HydrophobicContact CD2-CG2 3.91Å; F21-I201 HydrophobicContact CE1-CG2 3.84Å; F21-I201 HydrophobicContact CZ-CG2 4.08Å; V197-I201 HydrophobicContact CG1-CD1 4.08Å; V197-I201 WeakPolarHBondContact O-CG1 3.41Å; V197-I201 PolarHBondContact O-N 3.3Å; I201-V204 PolarHBondContact O-N 3.02Å; I201-Y205 WeakPolarHBondContact O-CB 3.35Å; I201-Y205 PolarHBondContact O-N 2.77Å |
| 202 | K | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.7 | -41.2 | 176.4 | -75.6 | -171.5 | -54.2 | -70.1 | 0 | 111.8 | F21 I64 L90 V94 E97 F198 I200 Y205 L206 | F21-K202 HydrophobicContact CD1-CD 4.44Å; F21-K202 HydrophobicContact CD1-CG 3.9Å; F21-K202 HydrophobicContact CE1-CB 4.45Å; F21-K202 HydrophobicContact CE1-CD 4.37Å; F21-K202 HydrophobicContact CE1-CG 3.38Å; F21-K202 HydrophobicContact CE2-CG 4.19Å; F21-K202 HydrophobicContact CZ-CB 4.31Å; F21-K202 HydrophobicContact CZ-CG 3.56Å; I64-K202 HydrophobicContact CD1-CD 4.34Å; L90-K202 HydrophobicContact CD2-CD 4.43Å; V94-K202 HydrophobicContact CG2-CB 3.65Å; V94-K202 HydrophobicContact CG2-CD 4.34Å; E97-K202 VanDerWaalsContact CD-CE 3.48Å; E97-K202 WeakPolarHBondContact OE1-CE 3.29Å; E97-K202 IonicContact OE1-NZ 2.7Å; E97-K202 PolarHBondContact OE1-NZ 3.2Å; E97-K202 WeakPolarHBondContact OE2-CE 3.42Å; E97-K202 IonicContact OE2-NZ 2.71Å; E97-K202 PolarHBondContact OE2-NZ 2.85Å; F198-K202 VanDerWaalsContact O-CB 3.22Å; F198-K202 WeakPolarHBondContact O-CB 3.3Å; F198-K202 WeakPolarHBondContact O-CG 3.45Å; F198-K202 PolarHBondContact O-N 3.11Å; F198-K202 PolarHBondContact O-NZ 3.31Å; I200-K202 PolarHBondContact O-N 3.08Å; K202-Y205 WeakPolarHBondContact O-CB 3.4Å; K202-Y205 PolarHBondContact O-N 3.34Å; K202-L206 WeakPolarHBondContact O-CB 3.35Å; K202-L206 VanDerWaalsContact O-CG 3.25Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 3.43Å |
| 203 | S | 96.5 | Very high | 95.4 | Very high | 40 Ų | 40 | 54.6 Ų | 54.6 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 179.1 | -61.8 | 0 | 0 | 0 | 0 | 112 | G199 I200 Y205 L206 I207 | G199-S203 VanDerWaalsContact O-CB 3.29Å; G199-S203 WeakPolarHBondContact O-CB 3.39Å; G199-S203 PolarHBondContact O-N 3.17Å; G199-S203 PolarHBondContact O-OG 2.94Å; I200-S203 PolarHBondContact O-N 2.87Å; S203-Y205 PolarHBondContact O-N 3.01Å; S203-L206 PolarHBondContact O-N 3.05Å; S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.38Å; S203-I207 PolarHBondContact O-N 3.45Å |
| 204 | V | 96.4 | Very high | 95.2 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 175.6 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | I200 I201 L206 I207 I208 | I200-V204 WeakPolarHBondContact O-CG2 3.4Å; I200-V204 PolarHBondContact O-N 3.29Å; I201-V204 PolarHBondContact O-N 3.02Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 PolarHBondContact O-N 3.4Å; V204-I207 PolarHBondContact O-N 3.26Å; V204-I208 HydrophobicContact CG1-CD1 3.95Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 2.88Å; V204-I208 VanDerWaalsContact O-N 3.11Å |
| 205 | Y | 96.6 | Very high | 94.8 | Very high | 9 Ų | 9 | 62.2 Ų | 62.2 | 4% | 0.035 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.1 | 171.6 | -101.2 | 0 | 0 | 0 | 112.8 | F14 L17 N18 F21 H86 L90 I201 K202 S203 I208 S209 | F14-Y205 HydrophobicContact CD2-CE2 4.24Å; F14-Y205 WeakPolarHBondContact CD2-OH 3.46Å; F14-Y205 WeakPolarHBondContact CE2-OH 3.38Å; L17-Y205 HydrophobicContact CB-CD2 4.15Å; L17-Y205 HydrophobicContact CB-CE2 4.41Å; L17-Y205 HydrophobicContact CD1-CD2 3.51Å; L17-Y205 HydrophobicContact CD1-CE2 4.33Å; L17-Y205 HydrophobicContact CD1-CG 4.22Å; L17-Y205 HydrophobicContact CG-CD2 4.49Å; N18-Y205 PolarHBondContact ND2-OH 3.46Å; F21-Y205 AromaticContact CE2-CD1 3.72Å; F21-Y205 HydrophobicContact CE2-CD1 3.72Å; F21-Y205 HydrophobicContact CE2-CE1 4.11Å; F21-Y205 AromaticContact CE2-CG 3.92Å; F21-Y205 HydrophobicContact CE2-CG 3.92Å; F21-Y205 HydrophobicContact CZ-CD1 4.32Å; F21-Y205 HydrophobicContact CZ-CG 4.23Å; H86-Y205 AromaticContact NE2-CE1 3.51Å; H86-Y205 AromaticContact NE2-CZ 3.57Å; H86-Y205 PolarHBondContact NE2-OH 3.41Å; L90-Y205 HydrophobicContact CD1-CD1 3.94Å; L90-Y205 HydrophobicContact CD1-CE1 3.51Å; I201-Y205 WeakPolarHBondContact O-CB 3.35Å; I201-Y205 PolarHBondContact O-N 2.77Å; K202-Y205 WeakPolarHBondContact O-CB 3.4Å; K202-Y205 PolarHBondContact O-N 3.34Å; S203-Y205 PolarHBondContact O-N 3.01Å; Y205-I208 PolarHBondContact O-N 3.38Å; Y205-S209 VanDerWaalsContact O-CB 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.5Å; Y205-S209 PolarHBondContact O-N 3.09Å; Y205-S209 PolarHBondContact O-OG 2.87Å |
| 206 | L | 96.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 178.4 | -78.8 | 169.3 | 0 | 0 | 0 | 112 | I87 L90 C91 V94 K202 S203 V204 I208 S209 I210 | I87-L206 HydrophobicContact CG2-CD2 4Å; L90-L206 HydrophobicContact CB-CD1 4.32Å; L90-L206 HydrophobicContact CB-CD2 3.82Å; L90-L206 HydrophobicContact CB-CG 4.33Å; C91-L206 HydrophobicContact CB-CD1 4.47Å; V94-L206 HydrophobicContact CG2-CD1 3.97Å; K202-L206 WeakPolarHBondContact O-CB 3.35Å; K202-L206 VanDerWaalsContact O-CG 3.25Å; K202-L206 WeakPolarHBondContact O-CG 3.26Å; K202-L206 PolarHBondContact O-N 3.43Å; S203-L206 PolarHBondContact O-N 3.05Å; V204-L206 VanDerWaalsContact C-N 3.34Å; V204-L206 PolarHBondContact O-N 3.4Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 2.93Å; L206-S209 PolarHBondContact O-N 3.44Å; L206-I210 WeakPolarHBondContact O-CB 3.3Å; L206-I210 WeakPolarHBondContact O-CD1 3.2Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 2.95Å |
| 207 | I | 96.1 | Very high | 93.9 | Very high | 120 Ų | 120 | 59.9 Ų | 59.9 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57 | -48.5 | 177.1 | -69.3 | 164.2 | 0 | 0 | 0 | 110.2 | S203 V204 Y211 | S203-I207 VanDerWaalsContact O-CG1 3.28Å; S203-I207 WeakPolarHBondContact O-CG1 3.38Å; S203-I207 PolarHBondContact O-N 3.45Å; V204-I207 PolarHBondContact O-N 3.26Å; I207-Y211 WeakPolarHBondContact O-CB 3.19Å; I207-Y211 PolarHBondContact O-N 3.5Å |
| 208 | I | 93.6 | Very high | 93.4 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 176.9 | -71.2 | 171.4 | 0 | 0 | 0 | 111 | W10 V204 Y205 L206 I210 Y211 L212 | W10-I208 HydrophobicContact CE3-CG2 3.87Å; W10-I208 HydrophobicContact CH2-CD1 4.34Å; W10-I208 HydrophobicContact CH2-CG1 4.45Å; W10-I208 HydrophobicContact CH2-CG2 3.46Å; W10-I208 VanDerWaalsContact CH2-CG2 3.46Å; W10-I208 HydrophobicContact CZ2-CG2 4.44Å; W10-I208 HydrophobicContact CZ3-CB 4.42Å; W10-I208 HydrophobicContact CZ3-CD1 4.21Å; W10-I208 HydrophobicContact CZ3-CG2 3.14Å; V204-I208 HydrophobicContact CG1-CD1 3.95Å; V204-I208 WeakPolarHBondContact O-CG1 3.24Å; V204-I208 PolarHBondContact O-N 2.88Å; V204-I208 VanDerWaalsContact O-N 3.11Å; Y205-I208 PolarHBondContact O-N 3.38Å; L206-I208 VanDerWaalsContact C-N 3.31Å; L206-I208 PolarHBondContact O-N 2.93Å; I208-I210 VanDerWaalsContact C-N 3.34Å; I208-I210 PolarHBondContact O-N 2.91Å; I208-Y211 WeakPolarHBondContact O-CB 3.08Å; I208-Y211 PolarHBondContact O-N 3.47Å; I208-L212 HydrophobicContact CG2-CD1 3.9Å; I208-L212 HydrophobicContact CG2-CG 4.42Å; I208-L212 WeakPolarHBondContact O-CG 3.42Å; I208-L212 PolarHBondContact O-N 3.3Å |
| 209 | S | 92.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.2 | -41.8 | -177.3 | -63.2 | 0 | 0 | 0 | 0 | 111.8 | Y205 L206 L212 F213 | Y205-S209 VanDerWaalsContact O-CB 3.27Å; Y205-S209 WeakPolarHBondContact O-CB 3.5Å; Y205-S209 PolarHBondContact O-N 3.09Å; Y205-S209 PolarHBondContact O-OG 2.87Å; L206-S209 PolarHBondContact O-N 3.44Å; S209-L212 PolarHBondContact O-N 3.44Å; S209-F213 VanDerWaalsContact O-CB 3.23Å; S209-F213 WeakPolarHBondContact O-CB 3.25Å; S209-F213 PolarHBondContact O-N 2.79Å |
| 210 | I | 94.4 | Very high | 91.9 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 176.1 | -68.6 | 165.3 | 0 | 0 | 0 | 110.6 | I87 L206 I208 F213 K214 | I87-I210 HydrophobicContact CD1-CG1 4.39Å; I87-I210 HydrophobicContact CG2-CD1 4.19Å; I87-I210 HydrophobicContact CG2-CG1 3.85Å; L206-I210 WeakPolarHBondContact O-CB 3.3Å; L206-I210 WeakPolarHBondContact O-CD1 3.2Å; L206-I210 WeakPolarHBondContact O-CG1 3.3Å; L206-I210 PolarHBondContact O-N 2.95Å; I208-I210 VanDerWaalsContact C-N 3.34Å; I208-I210 PolarHBondContact O-N 2.91Å; I210-F213 PolarHBondContact O-N 2.95Å; I210-K214 HydrophobicContact CG2-CD 4.41Å; I210-K214 WeakPolarHBondContact O-CB 3.34Å; I210-K214 WeakPolarHBondContact O-CG 3.35Å; I210-K214 PolarHBondContact O-N 2.7Å |
| 211 | Y | 93.6 | Very high | 91.2 | Very high | 148 Ų | 148 | 68.9 Ų | 68.9 | 58% | 0.58 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.2 | -48.5 | 176.5 | 173.9 | -96.3 | 0 | 0 | 0 | 111.8 | I207 I208 F213 K214 K215 | I207-Y211 WeakPolarHBondContact O-CB 3.19Å; I207-Y211 PolarHBondContact O-N 3.5Å; I208-Y211 WeakPolarHBondContact O-CB 3.08Å; I208-Y211 PolarHBondContact O-N 3.47Å; Y211-F213 PolarHBondContact O-N 2.98Å; Y211-K214 PolarHBondContact O-N 3.37Å; Y211-K215 PolarHBondContact O-N 3.04Å |
| 212 | L | 90 | Very high | 90.4 | Very high | 51 Ų | 51 | 72.3 Ų | 72.3 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.1 | -68.5 | 174.9 | 0 | 0 | 0 | 112.1 | W10 I208 S209 K215 S216 | W10-L212 HydrophobicContact CB-CD1 4.49Å; W10-L212 HydrophobicContact CD2-CD1 3.58Å; W10-L212 HydrophobicContact CD2-CD2 4.43Å; W10-L212 HydrophobicContact CE3-CD1 3.77Å; W10-L212 HydrophobicContact CG-CD1 3.92Å; W10-L212 HydrophobicContact CZ2-CD1 4.36Å; W10-L212 HydrophobicContact CZ2-CD2 4.32Å; W10-L212 HydrophobicContact CZ3-CD1 4.28Å; I208-L212 HydrophobicContact CG2-CD1 3.9Å; I208-L212 HydrophobicContact CG2-CG 4.42Å; I208-L212 WeakPolarHBondContact O-CG 3.42Å; I208-L212 PolarHBondContact O-N 3.3Å; S209-L212 PolarHBondContact O-N 3.44Å; L212-K215 PolarHBondContact O-N 3.46Å; L212-S216 PolarHBondContact O-N 2.83Å |
| 213 | F | 90.2 | Very high | 89.4 | Confident | 42 Ų | 42 | 77 Ų | 77 | 18% | 0.184 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 176.5 | -177.4 | -102.8 | 0 | 0 | 0 | 111.4 | Q80 I83 I84 I87 S209 I210 Y211 K215 S216 V217 | Q80-F213 HydrophobicContact CB-CE2 4.24Å; Q80-F213 HydrophobicContact CB-CZ 4.26Å; Q80-F213 HydrophobicContact CG-CE2 4.26Å; Q80-F213 HydrophobicContact CG-CZ 4.41Å; I83-F213 HydrophobicContact CB-CD2 4.29Å; I83-F213 HydrophobicContact CB-CE2 4.27Å; I83-F213 HydrophobicContact CG2-CD2 3.75Å; I83-F213 HydrophobicContact CG2-CE2 4.22Å; I84-F213 HydrophobicContact CD1-CE1 4.13Å; I84-F213 HydrophobicContact CD1-CZ 3.69Å; I84-F213 HydrophobicContact CG1-CE1 3.85Å; I84-F213 HydrophobicContact CG1-CE2 4.14Å; I84-F213 HydrophobicContact CG1-CZ 3.49Å; I84-F213 VanDerWaalsContact CG1-CZ 3.49Å; I87-F213 HydrophobicContact CD1-CB 4.37Å; S209-F213 VanDerWaalsContact O-CB 3.23Å; S209-F213 WeakPolarHBondContact O-CB 3.25Å; S209-F213 PolarHBondContact O-N 2.79Å; I210-F213 PolarHBondContact O-N 2.95Å; Y211-F213 PolarHBondContact O-N 2.98Å; F213-K215 PolarHBondContact O-N 3.14Å; F213-S216 PolarHBondContact O-N 3.06Å; F213-V217 HydrophobicContact CD1-CG2 4.32Å; F213-V217 HydrophobicContact CE1-CG2 3.89Å; F213-V217 HydrophobicContact CE2-CG2 4.29Å; F213-V217 HydrophobicContact CZ-CG2 3.86Å; F213-V217 WeakPolarHBondContact O-CG2 3.22Å; F213-V217 PolarHBondContact O-N 3.32Å |
| 214 | K | 91.5 | Very high | 87.9 | Confident | 137 Ų | 137 | 82.9 Ų | 82.9 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57 | -48.2 | 175.1 | -76.7 | -176.5 | 176.6 | -174.7 | 0 | 111.4 | I210 Y211 S216 V217 T218 | I210-K214 HydrophobicContact CG2-CD 4.41Å; I210-K214 WeakPolarHBondContact O-CB 3.34Å; I210-K214 WeakPolarHBondContact O-CG 3.35Å; I210-K214 PolarHBondContact O-N 2.7Å; Y211-K214 PolarHBondContact O-N 3.37Å; K214-S216 VanDerWaalsContact C-N 3.31Å; K214-S216 PolarHBondContact O-N 3.05Å; K214-V217 PolarHBondContact O-N 3.24Å; K214-T218 PolarHBondContact O-N 3.31Å; K214-T218 PolarHBondContact O-OG1 3.27Å; K214-T218 VanDerWaalsContact O-OG1 3.07Å |
| 215 | K | 89.2 | Confident | 87.4 | Confident | 120 Ų | 120 | 83 Ų | 83 | 52% | 0.522 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.5 | -43.1 | 177.1 | -175.1 | 176.2 | -179.5 | 175 | 0 | 112.1 | Y211 L212 F213 T218 M219 | Y211-K215 PolarHBondContact O-N 3.04Å; L212-K215 PolarHBondContact O-N 3.46Å; F213-K215 PolarHBondContact O-N 3.14Å; K215-T218 PolarHBondContact O-N 2.9Å; K215-M219 VanDerWaalsContact O-CG 3.29Å; K215-M219 WeakPolarHBondContact O-CG 3.5Å; K215-M219 PolarHBondContact O-N 3.35Å; K215-M219 VanDerWaalsContact O-N 3.09Å |
| 216 | S | 85.9 | Confident | 87 | Confident | 62 Ų | 62 | 86.9 Ų | 86.9 | 43% | 0.434 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.3 | -177.3 | 0 | 0 | 0 | 0 | 112.7 | L212 F213 K214 K220 | L212-S216 PolarHBondContact O-N 2.83Å; F213-S216 PolarHBondContact O-N 3.06Å; K214-S216 VanDerWaalsContact C-N 3.31Å; K214-S216 PolarHBondContact O-N 3.05Å; S216-K220 WeakPolarHBondContact O-CG 3.4Å; S216-K220 PolarHBondContact O-N 3.49Å |
| 217 | V | 86.9 | Confident | 86.4 | Confident | 36 Ų | 36 | 91.1 Ų | 91.1 | 22% | 0.218 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.8 | -45.8 | 176.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | F213 K214 M219 K220 N221 | F213-V217 HydrophobicContact CD1-CG2 4.32Å; F213-V217 HydrophobicContact CE1-CG2 3.89Å; F213-V217 HydrophobicContact CE2-CG2 4.29Å; F213-V217 HydrophobicContact CZ-CG2 3.86Å; F213-V217 WeakPolarHBondContact O-CG2 3.22Å; F213-V217 PolarHBondContact O-N 3.32Å; K214-V217 PolarHBondContact O-N 3.24Å; V217-M219 VanDerWaalsContact C-N 3.33Å; V217-M219 PolarHBondContact O-N 3.46Å; V217-K220 PolarHBondContact O-N 3.28Å; V217-K220 VanDerWaalsContact O-N 3.14Å; V217-N221 PolarHBondContact O-N 3.08Å; V217-N221 PolarHBondContact O-OD1 3.11Å |
| 218 | T | 86.7 | Confident | 85.8 | Confident | 80 Ų | 80 | 89.4 Ų | 89.4 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 112 | K214 K215 K220 N221 L222 | K214-T218 PolarHBondContact O-N 3.31Å; K214-T218 PolarHBondContact O-OG1 3.27Å; K214-T218 VanDerWaalsContact O-OG1 3.07Å; K215-T218 PolarHBondContact O-N 2.9Å; T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.24Å; T218-N221 PolarHBondContact O-N 3.41Å; T218-L222 HydrophobicContact CG2-CD1 4.1Å; T218-L222 WeakPolarHBondContact O-CG 3.4Å; T218-L222 PolarHBondContact O-N 3.31Å; T218-L222 VanDerWaalsContact O-N 3.08Å |
| 219 | M | 81.5 | Confident | 85.4 | Confident | 117 Ų | 117 | 92.1 Ų | 92.1 | 58% | 0.576 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.5 | -34.9 | 176.9 | -70.1 | -63.3 | -58.7 | 0 | 0 | 112.9 | K215 V217 S223 | K215-M219 VanDerWaalsContact O-CG 3.29Å; K215-M219 WeakPolarHBondContact O-CG 3.5Å; K215-M219 PolarHBondContact O-N 3.35Å; K215-M219 VanDerWaalsContact O-N 3.09Å; V217-M219 VanDerWaalsContact C-N 3.33Å; V217-M219 PolarHBondContact O-N 3.46Å; M219-S223 PolarHBondContact O-N 2.97Å; M219-S223 PolarHBondContact O-OG 3.29Å |
| 220 | K | 81.3 | Confident | 84.9 | Confident | 97 Ų | 97 | 97.1 Ų | 97.1 | 42% | 0.422 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 174.9 | -76.3 | -178.8 | 178 | -175 | 0 | 111.5 | S216 V217 T218 L222 S223 T224 | S216-K220 WeakPolarHBondContact O-CG 3.4Å; S216-K220 PolarHBondContact O-N 3.49Å; V217-K220 PolarHBondContact O-N 3.28Å; V217-K220 VanDerWaalsContact O-N 3.14Å; T218-K220 VanDerWaalsContact C-N 3.32Å; T218-K220 PolarHBondContact O-N 3.24Å; K220-L222 VanDerWaalsContact C-N 3.25Å; K220-L222 PolarHBondContact O-N 3.03Å; K220-S223 PolarHBondContact O-N 3.06Å; K220-S223 VanDerWaalsContact O-N 3.09Å; K220-S223 PolarHBondContact O-OG 2.88Å; K220-T224 PolarHBondContact O-N 2.97Å; K220-T224 PolarHBondContact O-OG1 3.24Å |
| 221 | N | 80.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 99.6 Ų | 99.6 | 57% | 0.572 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.1 | -25 | 178.8 | -65.6 | -2.4 | 0 | 0 | 0 | 113.3 | V217 T218 T224 | V217-N221 PolarHBondContact O-N 3.08Å; V217-N221 PolarHBondContact O-OD1 3.11Å; T218-N221 PolarHBondContact O-N 3.41Å; N221-T224 PolarHBondContact O-OG1 2.98Å; N221-T224 VanDerWaalsContact O-OG1 3.14Å |
| 222 | L | 80.7 | Confident | 83.5 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 71% | 0.707 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -15 | 174.1 | -74.8 | 165.2 | 0 | 0 | 0 | 113.5 | T218 K220 | T218-L222 HydrophobicContact CG2-CD1 4.1Å; T218-L222 WeakPolarHBondContact O-CG 3.4Å; T218-L222 PolarHBondContact O-N 3.31Å; T218-L222 VanDerWaalsContact O-N 3.08Å; K220-L222 VanDerWaalsContact C-N 3.25Å; K220-L222 PolarHBondContact O-N 3.03Å |
| 223 | S | 76.2 | Confident | 82.9 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 70% | 0.699 | 54% | 0.535 | S | S | * | . | trans | -104.2 | -0.1 | -179.2 | 49.3 | 0 | 0 | 0 | 0 | 113.5 | M219 K220 | M219-S223 PolarHBondContact O-N 2.97Å; M219-S223 PolarHBondContact O-OG 3.29Å; K220-S223 PolarHBondContact O-N 3.06Å; K220-S223 VanDerWaalsContact O-N 3.09Å; K220-S223 PolarHBondContact O-OG 2.88Å | ||
| 224 | T | 64.4 | Low | 82.2 | Confident | 163 Ų | 163 | 104.9 Ų | 104.9 | 100% | 1 | 57% | 0.567 | S | S | * | * | trans | -106.2 | 0 | 172.1 | 52.3 | 0 | 0 | 0 | 0 | 110.1 | K220 N221 | K220-T224 PolarHBondContact O-N 2.97Å; K220-T224 PolarHBondContact O-OG1 3.24Å; N221-T224 PolarHBondContact O-OG1 2.98Å; N221-T224 VanDerWaalsContact O-OG1 3.14Å |
Retrieved 224 of 224 residues in 170.6 ms
(Link to these results)