| 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 | 69.9 | Low | 89.9 | Confident | 149 Ų | 149 | 91.9 Ų | 91.9 | 73% | 0.734 | 43% | 0.426 | S | S | * | . | 0 | 115.7 | 0 | -64.8 | -173 | -69.8 | 0 | 0 | 108 | E3 L4 L84 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.08Å; M1-L4 HydrophobicContact CB-CD1 4.43Å; M1-L4 HydrophobicContact CB-CG 4.45Å; M1-L4 HydrophobicContact CE-CD1 3.95Å; M1-L4 PolarHBondContact O-N 3.47Å; M1-L84 HydrophobicContact CB-CD2 4.22Å; M1-L84 HydrophobicContact CE-CD1 3.96Å; M1-L84 HydrophobicContact CE-CD2 3.84Å; M1-L84 HydrophobicContact CE-CG 4.45Å; M1-L84 HydrophobicContact SD-CB 4.5Å; M1-L84 HydrophobicContact SD-CD2 3.81Å | |||
| 2 | W | 83.2 | Confident | 90.6 | Very high | 104 Ų | 104 | 84.3 Ų | 84.3 | 39% | 0.394 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -67.1 | -29.2 | -173.4 | 68.5 | -88.1 | 0 | 0 | 0 | 112.6 | L4 R5 S6 G239 K241 | W2-L4 PolarHBondContact O-N 2.97Å; W2-R5 WeakPolarHBondContact O-CB 3.38Å; W2-R5 PolarHBondContact O-N 2.86Å; W2-S6 PolarHBondContact O-N 2.9Å; W2-G239 PolarHBondContact NE1-O 3.26Å; W2-K241 HydrophobicContact CD2-CB 4.35Å; W2-K241 HydrophobicContact CD2-CG 4.36Å; W2-K241 HydrophobicContact CG-CB 4.46Å; W2-K241 HydrophobicContact CZ2-CB 4.4Å; W2-K241 HydrophobicContact CZ2-CG 4.35Å |
| 3 | E | 83.9 | Confident | 91.2 | Very high | 12 Ų | 12 | 79.2 Ų | 79.2 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -53.7 | -40.9 | 177.6 | -67.6 | -169 | 89.8 | 0 | 0 | 112.3 | M1 R5 S6 F9 S82 L84 R85 | M1-E3 VanDerWaalsContact C-N 3.28Å; M1-E3 PolarHBondContact O-N 3.08Å; E3-R5 PolarHBondContact O-N 3.23Å; E3-R5 VanDerWaalsContact O-N 3.17Å; E3-S6 WeakPolarHBondContact O-CB 3.45Å; E3-S6 PolarHBondContact O-N 3.17Å; E3-F9 HydrophobicContact CB-CD2 3.87Å; E3-F9 HydrophobicContact CB-CE2 4.11Å; E3-F9 HydrophobicContact CB-CG 4.32Å; E3-F9 WeakPolarHBondContact O-CB 3.27Å; E3-F9 WeakPolarHBondContact O-CG 3.35Å; E3-S82 PolarHBondContact OE1-OG 2.66Å; E3-S82 VanDerWaalsContact OE2-CB 3.3Å; E3-S82 WeakPolarHBondContact OE2-CB 3.42Å; E3-S82 PolarHBondContact OE2-OG 3.41Å; E3-L84 HydrophobicContact CB-CD2 4.27Å; E3-R85 IonicContact OE1-CZ 2.66Å; E3-R85 IonicContact OE1-NE 3.35Å; E3-R85 PolarHBondContact OE1-NE 3.37Å; E3-R85 IonicContact OE1-NH2 2.92Å |
| 4 | L | 88.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 35% | 0.346 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -64.5 | -20.6 | 178.8 | -64.8 | 179.7 | 0 | 0 | 0 | 113.8 | M1 W2 F9 W10 L84 | M1-L4 HydrophobicContact CB-CD1 4.43Å; M1-L4 HydrophobicContact CB-CG 4.45Å; M1-L4 HydrophobicContact CE-CD1 3.95Å; M1-L4 PolarHBondContact O-N 3.47Å; W2-L4 PolarHBondContact O-N 2.97Å; L4-F9 HydrophobicContact CD2-CE1 3.75Å; L4-F9 HydrophobicContact CD2-CZ 4.18Å; L4-W10 HydrophobicContact CD2-CH2 4.48Å; L4-W10 HydrophobicContact CD2-CZ2 4.05Å; L4-W10 PolarHBondContact O-NE1 2.94Å; L4-L84 HydrophobicContact CD2-CD2 3.88Å; L4-L84 HydrophobicContact CG-CD2 3.91Å |
| 5 | R | 89.8 | Confident | 92.2 | Very high | 232 Ų | 232 | 77.3 Ų | 77.3 | 88% | 0.875 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -89.5 | -10.9 | 176.2 | -60.6 | -177.6 | 178.8 | 177.3 | -1.9 | 112.1 | W2 E3 | W2-R5 WeakPolarHBondContact O-CB 3.38Å; W2-R5 PolarHBondContact O-N 2.86Å; E3-R5 PolarHBondContact O-N 3.23Å; E3-R5 VanDerWaalsContact O-N 3.17Å |
| 6 | S | 92.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 72.4 Ų | 72.4 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | trans | -81.9 | 127.4 | -178.5 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | W2 E3 S8 F9 W10 | W2-S6 PolarHBondContact O-N 2.9Å; E3-S6 WeakPolarHBondContact O-CB 3.45Å; E3-S6 PolarHBondContact O-N 3.17Å; S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.43Å; S6-S8 PolarHBondContact OG-N 3.44Å; S6-S8 PolarHBondContact OG-OG 3.48Å; S6-F9 WeakPolarHBondContact O-CB 3.43Å; S6-F9 PolarHBondContact O-N 3.33Å; S6-W10 VanDerWaalsContact O-CD1 3.3Å; S6-W10 PolarHBondContact O-N 3.28Å | ||
| 7 | A | 94.6 | Very high | 93 | Very high | 60 Ų | 60 | 71.3 Ų | 71.3 | 50% | 0.496 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -34 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F9 W10 R11 | A7-F9 VanDerWaalsContact C-N 3.29Å; A7-F9 PolarHBondContact O-N 2.82Å; A7-W10 PolarHBondContact O-N 2.8Å; A7-R11 VanDerWaalsContact O-CG 3.31Å; A7-R11 WeakPolarHBondContact O-CG 3.47Å; A7-R11 PolarHBondContact O-N 3.13Å |
| 8 | S | 94.8 | Very high | 93.3 | Very high | 72 Ų | 72 | 72.9 Ų | 72.9 | 50% | 0.503 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.6 | -32.9 | 178.8 | 66.6 | 0 | 0 | 0 | 0 | 112.1 | S6 A12 | S6-S8 VanDerWaalsContact C-N 3.27Å; S6-S8 PolarHBondContact O-N 3.43Å; S6-S8 PolarHBondContact OG-N 3.44Å; S6-S8 PolarHBondContact OG-OG 3.48Å; S8-A12 WeakPolarHBondContact O-CB 3.35Å; S8-A12 PolarHBondContact O-N 3.23Å |
| 9 | F | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 174.1 | 175.9 | -95.2 | 0 | 0 | 0 | 111.4 | E3 L4 S6 A7 A12 I13 L84 R85 C88 | E3-F9 HydrophobicContact CB-CD2 3.87Å; E3-F9 HydrophobicContact CB-CE2 4.11Å; E3-F9 HydrophobicContact CB-CG 4.32Å; E3-F9 WeakPolarHBondContact O-CB 3.27Å; E3-F9 WeakPolarHBondContact O-CG 3.35Å; L4-F9 HydrophobicContact CD2-CE1 3.75Å; L4-F9 HydrophobicContact CD2-CZ 4.18Å; S6-F9 WeakPolarHBondContact O-CB 3.43Å; S6-F9 PolarHBondContact O-N 3.33Å; A7-F9 VanDerWaalsContact C-N 3.29Å; A7-F9 PolarHBondContact O-N 2.82Å; F9-A12 WeakPolarHBondContact O-CB 3.43Å; F9-A12 PolarHBondContact O-N 2.98Å; F9-I13 HydrophobicContact CD1-CD1 3.69Å; F9-I13 HydrophobicContact CE1-CD1 3.18Å; F9-I13 HydrophobicContact CE1-CG1 4.34Å; F9-I13 HydrophobicContact CE2-CD1 4.41Å; F9-I13 HydrophobicContact CG-CD1 4.47Å; F9-I13 HydrophobicContact CZ-CD1 3.6Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.49Å; F9-L84 HydrophobicContact CZ-CD2 4.29Å; F9-L84 HydrophobicContact CZ-CG 4.23Å; F9-R85 HydrophobicContact CE2-CB 4Å; F9-R85 HydrophobicContact CE2-CG 4.19Å; F9-C88 HydrophobicContact CZ-CB 4.16Å |
| 10 | W | 97.6 | Very high | 93.9 | Very high | 115 Ų | 115 | 65.8 Ų | 65.8 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.7 | -39 | 178.8 | -67.4 | 108.6 | 0 | 0 | 0 | 112.7 | L4 S6 A7 A12 I13 F14 | L4-W10 HydrophobicContact CD2-CH2 4.48Å; L4-W10 HydrophobicContact CD2-CZ2 4.05Å; L4-W10 PolarHBondContact O-NE1 2.94Å; S6-W10 VanDerWaalsContact O-CD1 3.3Å; S6-W10 PolarHBondContact O-N 3.28Å; A7-W10 PolarHBondContact O-N 2.8Å; W10-A12 VanDerWaalsContact C-N 3.26Å; W10-A12 PolarHBondContact O-N 2.79Å; W10-I13 HydrophobicContact CD2-CD1 4.44Å; W10-I13 HydrophobicContact CE3-CD1 3.72Å; W10-I13 HydrophobicContact CZ3-CD1 3.86Å; W10-I13 PolarHBondContact O-N 2.83Å; W10-F14 WeakPolarHBondContact O-CD2 3.32Å; W10-F14 PolarHBondContact O-N 2.92Å |
| 11 | R | 98.1 | Very high | 94.1 | Very high | 174 Ų | 174 | 63.7 Ų | 63.7 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -57.2 | -41.6 | 172.2 | -73.3 | 173.9 | -177.9 | 176 | 1.1 | 111.5 | A7 F14 A15 I62 | A7-R11 VanDerWaalsContact O-CG 3.31Å; A7-R11 WeakPolarHBondContact O-CG 3.47Å; A7-R11 PolarHBondContact O-N 3.13Å; R11-F14 PolarHBondContact O-N 3.19Å; R11-A15 WeakPolarHBondContact O-CB 3.19Å; R11-A15 PolarHBondContact O-N 2.87Å; R11-I62 HydrophobicContact CB-CG2 4.36Å |
| 12 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S8 F9 W10 A15 E16 Y89 | S8-A12 WeakPolarHBondContact O-CB 3.35Å; S8-A12 PolarHBondContact O-N 3.23Å; F9-A12 WeakPolarHBondContact O-CB 3.43Å; F9-A12 PolarHBondContact O-N 2.98Å; W10-A12 VanDerWaalsContact C-N 3.26Å; W10-A12 PolarHBondContact O-N 2.79Å; A12-A15 WeakPolarHBondContact O-CB 3.3Å; A12-A15 PolarHBondContact O-N 2.97Å; A12-E16 WeakPolarHBondContact O-CG 3.44Å; A12-E16 PolarHBondContact O-N 2.69Å; A12-Y89 HydrophobicContact CB-CE1 4.13Å; A12-Y89 WeakPolarHBondContact CB-OH 3.31Å |
| 13 | I | 98.6 | Very high | 96.2 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 173.7 | -69.1 | 171.4 | 0 | 0 | 0 | 111.2 | F9 W10 A15 E16 F17 C88 Y89 A92 | F9-I13 HydrophobicContact CD1-CD1 3.69Å; F9-I13 HydrophobicContact CE1-CD1 3.18Å; F9-I13 HydrophobicContact CE1-CG1 4.34Å; F9-I13 HydrophobicContact CE2-CD1 4.41Å; F9-I13 HydrophobicContact CG-CD1 4.47Å; F9-I13 HydrophobicContact CZ-CD1 3.6Å; F9-I13 WeakPolarHBondContact O-CG1 3.46Å; F9-I13 PolarHBondContact O-N 3.49Å; W10-I13 HydrophobicContact CD2-CD1 4.44Å; W10-I13 HydrophobicContact CE3-CD1 3.72Å; W10-I13 HydrophobicContact CZ3-CD1 3.86Å; W10-I13 PolarHBondContact O-N 2.83Å; I13-A15 VanDerWaalsContact C-N 3.34Å; I13-E16 PolarHBondContact O-N 3.5Å; I13-F17 PolarHBondContact O-N 3.43Å; I13-C88 HydrophobicContact CD1-CB 3.64Å; I13-C88 HydrophobicContact CG1-CB 4.06Å; I13-Y89 HydrophobicContact CG1-CD1 4.43Å; I13-A92 HydrophobicContact CG2-CB 3.92Å |
| 14 | F | 98.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 53% | 0.526 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 176.3 | -78.7 | -68.1 | 0 | 0 | 0 | 112 | W10 R11 E16 F17 F18 | W10-F14 WeakPolarHBondContact O-CD2 3.32Å; W10-F14 PolarHBondContact O-N 2.92Å; R11-F14 PolarHBondContact O-N 3.19Å; F14-E16 VanDerWaalsContact C-N 3.34Å; F14-E16 PolarHBondContact O-N 3.36Å; F14-F17 PolarHBondContact O-N 3.42Å; F14-F18 HydrophobicContact CB-CD2 4.39Å; F14-F18 HydrophobicContact CB-CE2 4.43Å; F14-F18 HydrophobicContact CD1-CE2 4.15Å; F14-F18 WeakPolarHBondContact O-CD2 3.5Å; F14-F18 PolarHBondContact O-N 3.44Å |
| 15 | A | 98.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 54.7 Ų | 54.7 | 7% | 0.074 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R11 A12 I13 F17 A19 V59 I62 | R11-A15 WeakPolarHBondContact O-CB 3.19Å; R11-A15 PolarHBondContact O-N 2.87Å; A12-A15 WeakPolarHBondContact O-CB 3.3Å; A12-A15 PolarHBondContact O-N 2.97Å; I13-A15 VanDerWaalsContact C-N 3.34Å; A15-F17 PolarHBondContact O-N 2.84Å; A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 3.03Å; A15-V59 HydrophobicContact CB-CB 4Å; A15-V59 HydrophobicContact CB-CG1 4.26Å; A15-V59 HydrophobicContact CB-CG2 4.41Å; A15-I62 HydrophobicContact CB-CB 4.36Å; A15-I62 HydrophobicContact CB-CG2 4.03Å |
| 16 | E | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 175.8 | -74.2 | -65.6 | 136.2 | 0 | 0 | 112.8 | A12 I13 F14 T20 S63 A65 H66 V67 Y89 A92 Q93 | A12-E16 WeakPolarHBondContact O-CG 3.44Å; A12-E16 PolarHBondContact O-N 2.69Å; I13-E16 PolarHBondContact O-N 3.5Å; F14-E16 VanDerWaalsContact C-N 3.34Å; F14-E16 PolarHBondContact O-N 3.36Å; E16-T20 VanDerWaalsContact O-CB 3.3Å; E16-T20 WeakPolarHBondContact O-CB 3.42Å; E16-T20 PolarHBondContact O-N 3.31Å; E16-T20 PolarHBondContact O-OG1 2.94Å; E16-S63 PolarHBondContact OE1-OG 2.91Å; E16-A65 WeakPolarHBondContact OE1-CA 3.4Å; E16-A65 PolarHBondContact OE1-N 3.32Å; E16-H66 PolarHBondContact OE1-N 3Å; E16-V67 WeakPolarHBondContact OE2-CA 3.41Å; E16-V67 PolarHBondContact OE2-N 3.39Å; E16-Y89 HydrophobicContact CG-CD1 4.1Å; E16-Y89 HydrophobicContact CG-CD2 3.56Å; E16-Y89 HydrophobicContact CG-CE1 4.14Å; E16-Y89 HydrophobicContact CG-CE2 3.61Å; E16-Y89 HydrophobicContact CG-CG 3.82Å; E16-A92 HydrophobicContact CB-CB 4.33Å; E16-Q93 HydrophobicContact CB-CG 4.45Å; E16-Q93 PolarHBondContact OE2-NE2 3.27Å |
| 17 | F | 98.9 | Very high | 98.1 | Very high | 53 Ų | 53 | 47.9 Ų | 47.9 | 23% | 0.232 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -56.2 | 175.4 | 174.8 | -91.9 | 0 | 0 | 0 | 111.7 | I13 F14 A15 T20 L21 A92 L95 G96 A99 | I13-F17 PolarHBondContact O-N 3.43Å; F14-F17 PolarHBondContact O-N 3.42Å; A15-F17 PolarHBondContact O-N 2.84Å; F17-T20 PolarHBondContact O-N 3.26Å; F17-L21 HydrophobicContact CE1-CD1 4.06Å; F17-L21 HydrophobicContact CZ-CD1 4.41Å; F17-L21 WeakPolarHBondContact O-CB 3.3Å; F17-L21 PolarHBondContact O-N 3.34Å; F17-A92 HydrophobicContact CB-CB 4.17Å; F17-L95 HydrophobicContact CD2-CB 4.14Å; F17-L95 HydrophobicContact CE2-CB 3.96Å; F17-G96 WeakPolarHBondContact O-CA 3.31Å; F17-A99 HydrophobicContact CE2-CB 4.45Å; F17-A99 HydrophobicContact CZ-CB 4.02Å |
| 18 | F | 98.9 | Very high | 98.3 | Very high | 101 Ų | 101 | 45 Ų | 45 | 44% | 0.443 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.8 | -38.5 | -176.4 | -75.8 | -65.6 | 0 | 0 | 0 | 112.2 | F14 L21 F22 | F14-F18 HydrophobicContact CB-CD2 4.39Å; F14-F18 HydrophobicContact CB-CE2 4.43Å; F14-F18 HydrophobicContact CD1-CE2 4.15Å; F14-F18 WeakPolarHBondContact O-CD2 3.5Å; F14-F18 PolarHBondContact O-N 3.44Å; F18-L21 HydrophobicContact CD1-CD1 4.45Å; F18-L21 WeakPolarHBondContact O-CB 3.39Å; F18-L21 PolarHBondContact O-N 3.39Å; F18-F22 HydrophobicContact CB-CE2 4.24Å; F18-F22 WeakPolarHBondContact O-CD2 3.3Å; F18-F22 WeakPolarHBondContact O-CG 3.29Å; F18-F22 PolarHBondContact O-N 3.3Å |
| 19 | A | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A15 L21 F22 Y23 L55 V59 V67 | A15-A19 WeakPolarHBondContact O-CB 3.26Å; A15-A19 PolarHBondContact O-N 3.03Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.97Å; A19-F22 PolarHBondContact O-N 3.31Å; A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 3.11Å; A19-L55 HydrophobicContact CB-CB 4.37Å; A19-L55 HydrophobicContact CB-CD1 4.4Å; A19-L55 HydrophobicContact CB-CD2 4.01Å; A19-L55 HydrophobicContact CB-CG 4.49Å; A19-L55 WeakPolarHBondContact O-CD1 3.33Å; A19-V59 HydrophobicContact CB-CG2 3.68Å; A19-V67 HydrophobicContact CB-CG1 3.37Å |
| 20 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68 | -35.3 | 175.2 | -46.5 | 0 | 0 | 0 | 0 | 112.1 | E16 F17 Y23 V24 V67 Q93 A97 A186 | E16-T20 VanDerWaalsContact O-CB 3.3Å; E16-T20 WeakPolarHBondContact O-CB 3.42Å; E16-T20 PolarHBondContact O-N 3.31Å; E16-T20 PolarHBondContact O-OG1 2.94Å; F17-T20 PolarHBondContact O-N 3.26Å; T20-Y23 PolarHBondContact O-N 3.09Å; T20-V24 HydrophobicContact CG2-CG2 4.35Å; T20-V24 WeakPolarHBondContact O-CB 3.4Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.31Å; T20-V67 WeakPolarHBondContact OG1-CA 3.26Å; T20-Q93 HydrophobicContact CG2-CB 4.19Å; T20-Q93 WeakPolarHBondContact CG2-O 3.28Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.46Å; T20-A97 HydrophobicContact CG2-CB 3.86Å; T20-A186 HydrophobicContact CG2-CB 4.26Å |
| 21 | L | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.12 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.9 | -54.5 | 171.9 | -178.3 | 166.2 | 0 | 0 | 0 | 111.1 | F17 F18 A19 V24 F25 G96 A99 G100 | F17-L21 HydrophobicContact CE1-CD1 4.06Å; F17-L21 HydrophobicContact CZ-CD1 4.41Å; F17-L21 WeakPolarHBondContact O-CB 3.3Å; F17-L21 PolarHBondContact O-N 3.34Å; F18-L21 HydrophobicContact CD1-CD1 4.45Å; F18-L21 WeakPolarHBondContact O-CB 3.39Å; F18-L21 PolarHBondContact O-N 3.39Å; A19-L21 VanDerWaalsContact C-N 3.34Å; A19-L21 PolarHBondContact O-N 2.97Å; L21-V24 PolarHBondContact O-N 3.41Å; L21-F25 VanDerWaalsContact O-CB 3.24Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 3Å; L21-G96 WeakPolarHBondContact CA-O 3.41Å; L21-G96 WeakPolarHBondContact CB-O 3.45Å; L21-A99 HydrophobicContact CD1-CB 3.98Å; L21-A99 HydrophobicContact CG-CB 4.36Å; L21-G100 WeakPolarHBondContact O-CA 3.34Å |
| 22 | F | 98.9 | Very high | 98.2 | Very high | 92 Ų | 92 | 30.2 Ų | 30.2 | 40% | 0.404 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.1 | -41.8 | 179.8 | -65.8 | -45.7 | 0 | 0 | 0 | 111.9 | F18 A19 V24 F25 F26 L55 | F18-F22 HydrophobicContact CB-CE2 4.24Å; F18-F22 WeakPolarHBondContact O-CD2 3.3Å; F18-F22 WeakPolarHBondContact O-CG 3.29Å; F18-F22 PolarHBondContact O-N 3.3Å; A19-F22 PolarHBondContact O-N 3.31Å; F22-V24 VanDerWaalsContact C-N 3.34Å; F22-V24 PolarHBondContact O-N 3.42Å; F22-F25 PolarHBondContact O-N 3.26Å; F22-F26 HydrophobicContact CB-CD2 4.16Å; F22-F26 HydrophobicContact CB-CE2 4.17Å; F22-F26 HydrophobicContact CD1-CE2 4.22Å; F22-F26 HydrophobicContact CG-CE2 4.49Å; F22-F26 WeakPolarHBondContact O-CD2 3.19Å; F22-F26 PolarHBondContact O-N 3.45Å; F22-L55 HydrophobicContact CB-CD1 4.43Å; F22-L55 HydrophobicContact CB-CD2 4.02Å; F22-L55 HydrophobicContact CD2-CD2 4.19Å |
| 23 | Y | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.9 | -50.1 | 177 | 175.1 | -108 | 0 | 0 | 0 | 111.5 | A19 T20 G27 F48 A51 L52 L168 N184 R187 | A19-Y23 WeakPolarHBondContact O-CB 3.48Å; A19-Y23 PolarHBondContact O-N 3.11Å; T20-Y23 PolarHBondContact O-N 3.09Å; Y23-G27 WeakPolarHBondContact O-CA 3.49Å; Y23-G27 PolarHBondContact O-N 3.05Å; Y23-F48 HydrophobicContact CE1-CD1 4.41Å; Y23-F48 HydrophobicContact CE1-CE1 4.33Å; Y23-F48 AromaticContact CE2-CD1 3.7Å; Y23-F48 HydrophobicContact CE2-CD1 3.7Å; Y23-F48 HydrophobicContact CE2-CE1 4.36Å; Y23-F48 AromaticContact CZ-CD1 3.62Å; Y23-F48 AromaticContact CZ-CE1 3.96Å; Y23-F48 WeakPolarHBondContact OH-CD1 3.39Å; Y23-A51 HydrophobicContact CD2-CB 4.44Å; Y23-L52 HydrophobicContact CE2-CB 4.33Å; Y23-L168 HydrophobicContact CE2-CD2 3.61Å; Y23-L168 WeakPolarHBondContact OH-CD2 3.37Å; Y23-N184 VanDerWaalsContact CE1-ND2 3.29Å; Y23-N184 WeakPolarHBondContact CE1-ND2 3.42Å; Y23-R187 HydrophobicContact CE1-CB 3.86Å; Y23-R187 HydrophobicContact CE1-CG 4.08Å |
| 24 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -40.9 | 179.5 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | T20 L21 F22 L28 A97 A101 R187 A190 | T20-V24 HydrophobicContact CG2-CG2 4.35Å; T20-V24 WeakPolarHBondContact O-CB 3.4Å; T20-V24 WeakPolarHBondContact O-CG2 3.36Å; T20-V24 PolarHBondContact O-N 3.31Å; L21-V24 PolarHBondContact O-N 3.41Å; F22-V24 VanDerWaalsContact C-N 3.34Å; F22-V24 PolarHBondContact O-N 3.42Å; V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CD2 3.74Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 VanDerWaalsContact O-CB 3.3Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 PolarHBondContact O-N 2.91Å; V24-A97 HydrophobicContact CB-CB 4.47Å; V24-A97 WeakPolarHBondContact CG1-O 3.45Å; V24-A97 HydrophobicContact CG2-CB 3.68Å; V24-A101 HydrophobicContact CG1-CB 3.96Å; V24-R187 HydrophobicContact CG2-CB 4.21Å; V24-A190 HydrophobicContact CG1-CB 4.11Å |
| 25 | F | 98.9 | Very high | 96.7 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 20% | 0.202 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -55.1 | 178 | 176.9 | -94.2 | 0 | 0 | 0 | 112 | L21 F22 G29 V103 L104 V107 | L21-F25 VanDerWaalsContact O-CB 3.24Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 3Å; F22-F25 PolarHBondContact O-N 3.26Å; F25-G29 PolarHBondContact O-N 2.64Å; F25-V103 HydrophobicContact CD2-CB 4.32Å; F25-V103 HydrophobicContact CD2-CG1 4.03Å; F25-V103 HydrophobicContact CE2-CG1 3.85Å; F25-L104 HydrophobicContact CD2-CB 3.8Å; F25-L104 HydrophobicContact CD2-CD1 4.42Å; F25-L104 HydrophobicContact CE2-CB 4.14Å; F25-L104 HydrophobicContact CE2-CD1 4.25Å; F25-V107 HydrophobicContact CE2-CG2 3.95Å; F25-V107 HydrophobicContact CZ-CG2 4.25Å |
| 26 | F | 98.8 | Very high | 95.7 | Very high | 116 Ų | 116 | 48.5 Ų | 48.5 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73 | -39 | -178.9 | -68.4 | -65.9 | 0 | 0 | 0 | 112.1 | F22 S30 A51 | F22-F26 HydrophobicContact CB-CD2 4.16Å; F22-F26 HydrophobicContact CB-CE2 4.17Å; F22-F26 HydrophobicContact CD1-CE2 4.22Å; F22-F26 HydrophobicContact CG-CE2 4.49Å; F22-F26 WeakPolarHBondContact O-CD2 3.19Å; F22-F26 PolarHBondContact O-N 3.45Å; F26-S30 VanDerWaalsContact O-CB 3.25Å; F26-S30 WeakPolarHBondContact O-CB 3.48Å; F26-S30 PolarHBondContact O-N 2.95Å; F26-S30 PolarHBondContact O-OG 3.29Å; F26-A51 HydrophobicContact CB-CB 4.48Å |
| 27 | G | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -53.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y23 S30 S31 F48 | Y23-G27 WeakPolarHBondContact O-CA 3.49Å; Y23-G27 PolarHBondContact O-N 3.05Å; G27-S30 PolarHBondContact O-OG 3.43Å; G27-S31 WeakPolarHBondContact O-CB 3.2Å; G27-S31 PolarHBondContact O-N 2.87Å; G27-S31 PolarHBondContact O-OG 3.31Å; G27-F48 VanDerWaalsContact CA-CE1 3.43Å; G27-F48 VanDerWaalsContact CA-CZ 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.36Å; G27-F48 WeakPolarHBondContact O-CZ 3.3Å |
| 28 | L | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 177.9 | -84.5 | 52.8 | 0 | 0 | 0 | 111 | V24 S30 S31 L32 F48 A101 L104 L116 A117 R187 P191 | V24-L28 HydrophobicContact CG1-CD1 3.88Å; V24-L28 HydrophobicContact CG1-CD2 3.74Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 VanDerWaalsContact O-CB 3.3Å; V24-L28 WeakPolarHBondContact O-CB 3.47Å; V24-L28 PolarHBondContact O-N 2.91Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.02Å; L28-S31 CarbonylContact O-C 3.44Å; L28-S31 WeakPolarHBondContact O-CA 3.3Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.41Å; L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.48Å; L28-L32 VanDerWaalsContact O-N 3.14Å; L28-F48 HydrophobicContact CD1-CZ 4.24Å; L28-A101 HydrophobicContact CD2-CB 4.05Å; L28-L104 HydrophobicContact CB-CD2 3.39Å; L28-L116 VanDerWaalsContact CD2-O 3.22Å; L28-L116 WeakPolarHBondContact CD2-O 3.38Å; L28-L116 VanDerWaalsContact CG-O 3.29Å; L28-L116 WeakPolarHBondContact CG-O 3.13Å; L28-A117 HydrophobicContact CB-CB 4.44Å; L28-A117 HydrophobicContact CG-CB 4.26Å; L28-R187 HydrophobicContact CD1-CG 4.11Å; L28-P191 HydrophobicContact CD2-CB 4.16Å; L28-P191 HydrophobicContact CD2-CG 4.19Å |
| 29 | G | 97.5 | Very high | 92.4 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 11% | 0.113 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | F25 S31 L32 W34 L104 | F25-G29 PolarHBondContact O-N 2.64Å; G29-S31 VanDerWaalsContact C-N 3.26Å; G29-S31 PolarHBondContact O-N 3.08Å; G29-L32 PolarHBondContact O-N 3.01Å; G29-W34 PolarHBondContact O-NE1 3.22Å; G29-W34 VanDerWaalsContact O-NE1 3.07Å; G29-L104 VanDerWaalsContact N-CD2 3.33Å |
| 30 | S | 96 | Very high | 91.8 | Very high | 24 Ų | 24 | 57.8 Ų | 57.8 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -74.8 | -15.3 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 113.9 | F26 G27 L28 Q43 A47 | F26-S30 VanDerWaalsContact O-CB 3.25Å; F26-S30 WeakPolarHBondContact O-CB 3.48Å; F26-S30 PolarHBondContact O-N 2.95Å; F26-S30 PolarHBondContact O-OG 3.29Å; G27-S30 PolarHBondContact O-OG 3.43Å; L28-S30 VanDerWaalsContact C-N 3.29Å; L28-S30 PolarHBondContact O-N 3.02Å; S30-Q43 PolarHBondContact O-NE2 3.48Å; S30-A47 VanDerWaalsContact CB-CB 3.46Å; S30-A47 WeakPolarHBondContact OG-CB 3.34Å |
| 31 | S | 96 | Very high | 91.6 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -95 | -5.4 | 177.1 | -57.3 | 0 | 0 | 0 | 0 | 113.7 | G27 L28 G29 V44 F48 A117 | G27-S31 WeakPolarHBondContact O-CB 3.2Å; G27-S31 PolarHBondContact O-N 2.87Å; G27-S31 PolarHBondContact O-OG 3.31Å; L28-S31 CarbonylContact O-C 3.44Å; L28-S31 WeakPolarHBondContact O-CA 3.3Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 3.41Å; G29-S31 VanDerWaalsContact C-N 3.26Å; G29-S31 PolarHBondContact O-N 3.08Å; S31-V44 WeakPolarHBondContact OG-CG1 3.45Å; S31-F48 WeakPolarHBondContact OG-CE2 3.44Å; S31-A117 VanDerWaalsContact CB-CB 3.47Å |
| 32 | L | 95.1 | Very high | 91.5 | Very high | 8 Ų | 8 | 63 Ų | 63 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -71.5 | 152.8 | 174.4 | -57.7 | -176 | 0 | 0 | 0 | 111 | L28 G29 W34 L104 T108 V112 A117 | L28-L32 WeakPolarHBondContact O-CG 3.45Å; L28-L32 PolarHBondContact O-N 3.48Å; L28-L32 VanDerWaalsContact O-N 3.14Å; G29-L32 PolarHBondContact O-N 3.01Å; L32-W34 VanDerWaalsContact O-CD1 3.29Å; L32-W34 PolarHBondContact O-N 3.23Å; L32-L104 HydrophobicContact CD1-CD1 4.44Å; L32-L104 HydrophobicContact CD1-CD2 4.47Å; L32-T108 HydrophobicContact CD1-CG2 3.52Å; L32-V112 HydrophobicContact CB-CG1 3.98Å; L32-V112 HydrophobicContact CD1-CG1 4.35Å; L32-A117 HydrophobicContact CD2-CB 4.35Å |
| 33 | R | 89.6 | Confident | 91.3 | Very high | 171 Ų | 171 | 63.7 Ų | 63.7 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | trans | -87.4 | 86.9 | 179.8 | -68 | -172.6 | -179.5 | -170.2 | 0.7 | 110.7 | L39 | R33-L39 HydrophobicContact CG-CD1 4.31Å; R33-L39 HydrophobicContact CG-CD2 3.86Å; R33-L39 HydrophobicContact CG-CG 4.01Å | ||
| 34 | W | 89.6 | Confident | 91.3 | Very high | 149 Ų | 149 | 63.6 Ų | 63.6 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | trans | -76.7 | -23.2 | 178.6 | -68.9 | 92.7 | 0 | 0 | 0 | 114.1 | G29 L32 T108 V112 | G29-W34 PolarHBondContact O-NE1 3.22Å; G29-W34 VanDerWaalsContact O-NE1 3.07Å; L32-W34 VanDerWaalsContact O-CD1 3.29Å; L32-W34 PolarHBondContact O-N 3.23Å; W34-T108 HydrophobicContact CH2-CG2 4.48Å; W34-V112 HydrophobicContact CD2-CG1 3.68Å; W34-V112 HydrophobicContact CE3-CG1 3.87Å; W34-V112 HydrophobicContact CE3-CG2 4.18Å; W34-V112 HydrophobicContact CG-CG1 4.08Å; W34-V112 HydrophobicContact CH2-CG1 4.38Å; W34-V112 HydrophobicContact CZ2-CG1 4.21Å; W34-V112 HydrophobicContact CZ3-CG1 4.21Å; W34-V112 HydrophobicContact CZ3-CG2 4.35Å | ||
| 35 | A | 83.4 | Confident | 91.2 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 59% | 0.587 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -135.1 | 153.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 36 | P | 79.2 | Confident | 91.2 | Very high | 141 Ų | 141 | 64.4 Ų | 64.4 | 92% | 0.916 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -60.5 | 137.8 | 170.4 | -19.8 | 32.1 | 0 | 0 | 0 | 111.2 | ||
| 37 | G | 75.5 | Confident | 91.2 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 50% | 0.495 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 131.8 | 179 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 38 | P | 74.1 | Confident | 91.2 | Very high | 112 Ų | 112 | 60.1 Ų | 60.1 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | trans | -66.8 | 143.4 | 175.1 | 29.1 | -33.3 | 0 | 0 | 0 | 110.5 | H40 | P38-H40 PolarHBondContact O-N 3.02Š| ||
| 39 | L | 77.3 | Confident | 91.2 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 32% | 0.319 | 33% | 0.333 | S | S | . | . | trans | -61.6 | 129.7 | 171.3 | -82.8 | 163.6 | 0 | 0 | 0 | 109.6 | R33 V41 | R33-L39 HydrophobicContact CG-CD1 4.31Å; R33-L39 HydrophobicContact CG-CD2 3.86Å; R33-L39 HydrophobicContact CG-CG 4.01Å; L39-V41 PolarHBondContact O-N 3.3Å | ||
| 40 | H | 85.2 | Confident | 91.3 | Very high | 130 Ų | 130 | 63.5 Ų | 63.5 | 60% | 0.602 | 35% | 0.348 | S | S | * | . | trans | -75.8 | 97.3 | 175.3 | -71.6 | -69.4 | 0 | 0 | 0 | 110.1 | P38 L42 Q43 V44 | P38-H40 PolarHBondContact O-N 3.02Å; H40-L42 PolarHBondContact O-N 3.35Å; H40-Q43 HydrophobicContact CB-CB 3.86Å; H40-Q43 WeakPolarHBondContact O-CB 3.31Å; H40-Q43 PolarHBondContact O-N 2.96Å; H40-V44 PolarHBondContact O-N 3.4Å; H40-V44 VanDerWaalsContact O-N 3.13Å | ||
| 41 | V | 95.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 63 Ų | 63 | 10% | 0.103 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -38.8 | 179.5 | 173.1 | 0 | 0 | 0 | 0 | 111.9 | L39 Q43 V44 A45 L173 M176 Y177 | L39-V41 PolarHBondContact O-N 3.3Å; V41-Q43 PolarHBondContact O-N 3.18Å; V41-V44 PolarHBondContact O-N 3.37Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 2.97Å; V41-L173 HydrophobicContact CG1-CD2 4.37Å; V41-M176 HydrophobicContact CG1-CB 3.93Å; V41-M176 HydrophobicContact CG1-CG 4.16Å; V41-M176 HydrophobicContact CG2-CB 4.07Å; V41-Y177 HydrophobicContact CG1-CE2 4.23Å; V41-Y177 HydrophobicContact CG2-CE1 3.82Å; V41-Y177 HydrophobicContact CG2-CE2 4.25Å |
| 42 | L | 96.5 | Very high | 91.6 | Very high | 115 Ų | 115 | 62.8 Ų | 62.8 | 60% | 0.602 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 175.6 | 179.6 | 62.2 | 0 | 0 | 0 | 112.3 | H40 M46 L173 | H40-L42 PolarHBondContact O-N 3.35Å; L42-M46 HydrophobicContact CD1-CG 3.92Å; L42-M46 HydrophobicContact CG-CG 4.43Å; L42-M46 VanDerWaalsContact O-CB 3.32Å; L42-M46 WeakPolarHBondContact O-CB 3.32Å; L42-M46 VanDerWaalsContact O-CG 3.23Å; L42-M46 WeakPolarHBondContact O-CG 3.42Å; L42-M46 PolarHBondContact O-N 3.41Å; L42-L173 HydrophobicContact CD1-CD2 4.06Å |
| 43 | Q | 96 | Very high | 91.7 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 178.3 | 178.3 | -174.9 | -55 | 0 | 0 | 110.7 | S30 H40 V41 M46 A47 | S30-Q43 PolarHBondContact O-NE2 3.48Å; H40-Q43 HydrophobicContact CB-CB 3.86Å; H40-Q43 WeakPolarHBondContact O-CB 3.31Å; H40-Q43 PolarHBondContact O-N 2.96Å; V41-Q43 PolarHBondContact O-N 3.18Å; Q43-M46 PolarHBondContact O-N 3.38Å; Q43-A47 VanDerWaalsContact O-CB 3.28Å; Q43-A47 WeakPolarHBondContact O-CB 3.27Å; Q43-A47 PolarHBondContact O-N 3.37Å |
| 44 | V | 97.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -46 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | S31 H40 V41 M46 A47 F48 M176 | S31-V44 WeakPolarHBondContact OG-CG1 3.45Å; H40-V44 PolarHBondContact O-N 3.4Å; H40-V44 VanDerWaalsContact O-N 3.13Å; V41-V44 PolarHBondContact O-N 3.37Å; V44-M46 PolarHBondContact O-N 3.05Å; V44-A47 PolarHBondContact O-N 3.24Å; V44-F48 HydrophobicContact CG1-CD2 3.71Å; V44-F48 HydrophobicContact CG1-CE2 3.81Å; V44-F48 WeakPolarHBondContact O-CD2 3.48Å; V44-F48 PolarHBondContact O-N 2.97Å; V44-M176 HydrophobicContact CB-CE 4.14Å; V44-M176 HydrophobicContact CG1-CE 3.82Å; V44-M176 HydrophobicContact CG1-SD 3.93Å; V44-M176 HydrophobicContact CG2-CE 4.28Å |
| 45 | A | 98.4 | Very high | 92.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -46.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V41 G49 A169 H172 L173 | V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 2.97Å; A45-G49 PolarHBondContact O-N 3.32Å; A45-A169 HydrophobicContact CB-CB 4.48Å; A45-A169 WeakPolarHBondContact CB-O 3.33Å; A45-A169 WeakPolarHBondContact O-CA 3.29Å; A45-A169 VanDerWaalsContact O-CB 3.31Å; A45-A169 WeakPolarHBondContact O-CB 3.3Å; A45-H172 HydrophobicContact CB-CB 3.53Å; A45-L173 HydrophobicContact CB-CD2 3.76Å; A45-L173 HydrophobicContact CB-CG 3.77Å |
| 46 | M | 98.4 | Very high | 93.3 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 176.5 | -70.6 | -58.9 | -63 | 0 | 0 | 111.7 | L42 Q43 V44 G49 L50 F166 | L42-M46 HydrophobicContact CD1-CG 3.92Å; L42-M46 HydrophobicContact CG-CG 4.43Å; L42-M46 VanDerWaalsContact O-CB 3.32Å; L42-M46 WeakPolarHBondContact O-CB 3.32Å; L42-M46 VanDerWaalsContact O-CG 3.23Å; L42-M46 WeakPolarHBondContact O-CG 3.42Å; L42-M46 PolarHBondContact O-N 3.41Å; Q43-M46 PolarHBondContact O-N 3.38Å; V44-M46 PolarHBondContact O-N 3.05Å; M46-G49 PolarHBondContact O-N 3.46Å; M46-L50 HydrophobicContact CB-CD1 4.49Å; M46-L50 HydrophobicContact CE-CD1 4.08Å; M46-L50 HydrophobicContact CE-CD2 4.29Å; M46-L50 HydrophobicContact CE-CG 4.11Å; M46-L50 WeakPolarHBondContact O-CB 3.25Å; M46-L50 WeakPolarHBondContact O-CG 3.48Å; M46-L50 PolarHBondContact O-N 3.01Å; M46-F166 HydrophobicContact CE-CE1 3.89Å; M46-F166 HydrophobicContact SD-CE1 4.4Å |
| 47 | A | 98.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | S30 Q43 V44 A51 | S30-A47 VanDerWaalsContact CB-CB 3.46Å; S30-A47 WeakPolarHBondContact OG-CB 3.34Å; Q43-A47 VanDerWaalsContact O-CB 3.28Å; Q43-A47 WeakPolarHBondContact O-CB 3.27Å; Q43-A47 PolarHBondContact O-N 3.37Å; V44-A47 PolarHBondContact O-N 3.24Å; A47-A51 WeakPolarHBondContact O-CB 3.36Å; A47-A51 PolarHBondContact O-N 2.98Å |
| 48 | F | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 175 | -87.4 | -74.5 | 0 | 0 | 0 | 112.3 | Y23 G27 L28 S31 V44 A51 L52 L168 H172 R187 | Y23-F48 HydrophobicContact CE1-CD1 4.41Å; Y23-F48 HydrophobicContact CE1-CE1 4.33Å; Y23-F48 AromaticContact CE2-CD1 3.7Å; Y23-F48 HydrophobicContact CE2-CD1 3.7Å; Y23-F48 HydrophobicContact CE2-CE1 4.36Å; Y23-F48 AromaticContact CZ-CD1 3.62Å; Y23-F48 AromaticContact CZ-CE1 3.96Å; Y23-F48 WeakPolarHBondContact OH-CD1 3.39Å; G27-F48 VanDerWaalsContact CA-CE1 3.43Å; G27-F48 VanDerWaalsContact CA-CZ 3.45Å; G27-F48 WeakPolarHBondContact O-CE2 3.36Å; G27-F48 WeakPolarHBondContact O-CZ 3.3Å; L28-F48 HydrophobicContact CD1-CZ 4.24Å; S31-F48 WeakPolarHBondContact OG-CE2 3.44Å; V44-F48 HydrophobicContact CG1-CD2 3.71Å; V44-F48 HydrophobicContact CG1-CE2 3.81Å; V44-F48 WeakPolarHBondContact O-CD2 3.48Å; V44-F48 PolarHBondContact O-N 2.97Å; F48-A51 PolarHBondContact O-N 3.32Å; F48-L52 PolarHBondContact O-N 2.97Å; F48-L168 HydrophobicContact CB-CD2 4.06Å; F48-L168 HydrophobicContact CB-CG 4.47Å; F48-L168 WeakPolarHBondContact O-CD2 3.22Å; F48-H172 AromaticContact CD1-NE2 3.9Å; F48-H172 AromaticContact CD2-CD2 3.51Å; F48-H172 AromaticContact CD2-NE2 3.25Å; F48-H172 VanDerWaalsContact CD2-NE2 3.25Å; F48-H172 WeakPolarHBondContact CD2-NE2 3.47Å; F48-H172 AromaticContact CE2-NE2 3.71Å; F48-H172 AromaticContact CG-CD2 3.94Å; F48-H172 AromaticContact CG-CE1 3.79Å; F48-H172 AromaticContact CG-NE2 3.35Å; F48-H172 WeakPolarHBondContact CG-NE2 3.44Å; F48-R187 HydrophobicContact CE1-CG 3.97Å; F48-R187 HydrophobicContact CZ-CG 4.33Å |
| 49 | G | 98.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A45 M46 L52 A53 G165 | A45-G49 PolarHBondContact O-N 3.32Å; M46-G49 PolarHBondContact O-N 3.46Å; G49-L52 PolarHBondContact O-N 3.44Å; G49-A53 WeakPolarHBondContact O-CB 3.49Å; G49-A53 PolarHBondContact O-N 3.14Å; G49-G165 WeakPolarHBondContact CA-O 3.38Å; G49-G165 WeakPolarHBondContact O-CA 3.38Å |
| 50 | L | 98.8 | Very high | 97.4 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.6 | -40.9 | 176.8 | -67.6 | 174.4 | 0 | 0 | 0 | 111.5 | M46 L52 A53 T54 | M46-L50 HydrophobicContact CB-CD1 4.49Å; M46-L50 HydrophobicContact CE-CD1 4.08Å; M46-L50 HydrophobicContact CE-CD2 4.29Å; M46-L50 HydrophobicContact CE-CG 4.11Å; M46-L50 WeakPolarHBondContact O-CB 3.25Å; M46-L50 WeakPolarHBondContact O-CG 3.48Å; M46-L50 PolarHBondContact O-N 3.01Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 3.46Å; L50-A53 PolarHBondContact O-N 3.05Å; L50-T54 WeakPolarHBondContact O-CB 3.47Å; L50-T54 PolarHBondContact O-N 3.32Å; L50-T54 PolarHBondContact O-OG1 3.36Å |
| 51 | A | 98.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.5 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y23 F26 A47 F48 T54 L55 | Y23-A51 HydrophobicContact CD2-CB 4.44Å; F26-A51 HydrophobicContact CB-CB 4.48Å; A47-A51 WeakPolarHBondContact O-CB 3.36Å; A47-A51 PolarHBondContact O-N 2.98Å; F48-A51 PolarHBondContact O-N 3.32Å; A51-T54 PolarHBondContact O-N 3.42Å; A51-L55 WeakPolarHBondContact O-CB 3.21Å; A51-L55 WeakPolarHBondContact O-CD1 3.46Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 3.44Å |
| 52 | L | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 177 | -176.5 | 63.3 | 0 | 0 | 0 | 112.2 | Y23 F48 G49 L50 T54 L55 V56 V67 F141 V164 L168 | Y23-L52 HydrophobicContact CE2-CB 4.33Å; F48-L52 PolarHBondContact O-N 2.97Å; G49-L52 PolarHBondContact O-N 3.44Å; L50-L52 VanDerWaalsContact C-N 3.29Å; L50-L52 PolarHBondContact O-N 3.46Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 2.98Å; L52-L55 PolarHBondContact O-N 2.75Å; L52-V56 HydrophobicContact CD1-CG2 3.96Å; L52-V56 HydrophobicContact CG-CG2 4.13Å; L52-V56 WeakPolarHBondContact O-CB 3.36Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.7Å; L52-V67 HydrophobicContact CD1-CG2 3.37Å; L52-F141 HydrophobicContact CD2-CE2 3.49Å; L52-F141 VanDerWaalsContact CD2-CE2 3.49Å; L52-F141 HydrophobicContact CD2-CZ 3.42Å; L52-F141 VanDerWaalsContact CD2-CZ 3.42Å; L52-V164 HydrophobicContact CD2-CG1 3.64Å; L52-V164 HydrophobicContact CG-CG1 4.13Å; L52-L168 HydrophobicContact CB-CD2 3.77Å; L52-L168 HydrophobicContact CD2-CB 3.86Å; L52-L168 HydrophobicContact CD2-CD2 3.66Å; L52-L168 HydrophobicContact CD2-CG 4.3Å; L52-L168 HydrophobicContact CG-CD2 4.33Å |
| 53 | A | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 5% | 0.05 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G49 L50 L55 V56 Q57 A161 L162 | G49-A53 WeakPolarHBondContact O-CB 3.49Å; G49-A53 PolarHBondContact O-N 3.14Å; L50-A53 PolarHBondContact O-N 3.05Å; A53-L55 VanDerWaalsContact C-N 3.35Å; A53-L55 PolarHBondContact O-N 3.18Å; A53-V56 PolarHBondContact O-N 3.31Å; A53-Q57 PolarHBondContact O-N 2.91Å; A53-A161 VanDerWaalsContact CA-O 3.32Å; A53-A161 WeakPolarHBondContact CA-O 3.18Å; A53-A161 VanDerWaalsContact CB-O 3.29Å; A53-A161 WeakPolarHBondContact CB-O 3.39Å; A53-A161 WeakPolarHBondContact O-CB 3.44Å; A53-L162 HydrophobicContact CB-CD2 4.11Å |
| 54 | T | 98.8 | Very high | 98.2 | Very high | 85 Ų | 85 | 38 Ų | 38 | 52% | 0.521 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -47.9 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 110.7 | L50 A51 L52 Q57 S58 | L50-T54 WeakPolarHBondContact O-CB 3.47Å; L50-T54 PolarHBondContact O-N 3.32Å; L50-T54 PolarHBondContact O-OG1 3.36Å; A51-T54 PolarHBondContact O-N 3.42Å; L52-T54 VanDerWaalsContact C-N 3.33Å; L52-T54 PolarHBondContact O-N 2.98Å; T54-Q57 WeakPolarHBondContact O-CB 3.41Å; T54-Q57 PolarHBondContact O-N 2.88Å; T54-S58 WeakPolarHBondContact O-CB 3.3Å; T54-S58 PolarHBondContact O-N 3.27Å; T54-S58 PolarHBondContact O-OG 2.96Å |
| 55 | L | 98.7 | Very high | 98.3 | Very high | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -37.4 | -177.4 | -67.5 | 169.7 | 0 | 0 | 0 | 113 | A19 F22 A51 L52 A53 Q57 S58 V59 | A19-L55 HydrophobicContact CB-CB 4.37Å; A19-L55 HydrophobicContact CB-CD1 4.4Å; A19-L55 HydrophobicContact CB-CD2 4.01Å; A19-L55 HydrophobicContact CB-CG 4.49Å; A19-L55 WeakPolarHBondContact O-CD1 3.33Å; F22-L55 HydrophobicContact CB-CD1 4.43Å; F22-L55 HydrophobicContact CB-CD2 4.02Å; F22-L55 HydrophobicContact CD2-CD2 4.19Å; A51-L55 WeakPolarHBondContact O-CB 3.21Å; A51-L55 WeakPolarHBondContact O-CD1 3.46Å; A51-L55 WeakPolarHBondContact O-CG 3.2Å; A51-L55 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 2.75Å; A53-L55 VanDerWaalsContact C-N 3.35Å; A53-L55 PolarHBondContact O-N 3.18Å; L55-Q57 VanDerWaalsContact C-N 3.32Å; L55-Q57 PolarHBondContact O-N 2.94Å; L55-S58 PolarHBondContact O-N 2.81Å; L55-V59 WeakPolarHBondContact O-CG2 3.39Å; L55-V59 PolarHBondContact O-N 2.84Å |
| 56 | V | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | 172.5 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | L52 A53 G60 A65 Y149 A161 V164 | L52-V56 HydrophobicContact CD1-CG2 3.96Å; L52-V56 HydrophobicContact CG-CG2 4.13Å; L52-V56 WeakPolarHBondContact O-CB 3.36Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.43Å; L52-V56 PolarHBondContact O-N 2.7Å; A53-V56 PolarHBondContact O-N 3.31Å; V56-G60 WeakPolarHBondContact O-CA 3.39Å; V56-G60 PolarHBondContact O-N 2.96Å; V56-A65 HydrophobicContact CB-CB 4.28Å; V56-A65 HydrophobicContact CG2-CB 3.92Å; V56-Y149 WeakPolarHBondContact CG1-OH 3.49Å; V56-A161 HydrophobicContact CB-CB 3.88Å; V56-A161 HydrophobicContact CG1-CB 3.7Å; V56-V164 HydrophobicContact CG2-CG1 4.22Å |
| 57 | Q | 98.5 | Very high | 98.3 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 60% | 0.603 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.1 | -43.7 | 171.5 | -87.7 | -55.1 | 90.4 | 0 | 0 | 112.7 | A53 T54 L55 A161 | A53-Q57 PolarHBondContact O-N 2.91Å; T54-Q57 WeakPolarHBondContact O-CB 3.41Å; T54-Q57 PolarHBondContact O-N 2.88Å; L55-Q57 VanDerWaalsContact C-N 3.32Å; L55-Q57 PolarHBondContact O-N 2.94Å; Q57-A161 HydrophobicContact CB-CB 4.32Å; Q57-A161 HydrophobicContact CG-CB 3.54Å |
| 58 | S | 98.4 | Very high | 98.3 | Very high | 65 Ų | 65 | 34.8 Ų | 34.8 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.6 | -41.3 | -173 | -60.7 | 0 | 0 | 0 | 0 | 113.3 | T54 L55 H61 | T54-S58 WeakPolarHBondContact O-CB 3.3Å; T54-S58 PolarHBondContact O-N 3.27Å; T54-S58 PolarHBondContact O-OG 2.96Å; L55-S58 PolarHBondContact O-N 2.81Å; S58-H61 PolarHBondContact O-CE1 2.88Å |
| 59 | V | 98 | Very high | 98.3 | Very high | 24 Ų | 24 | 34.8 Ų | 34.8 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -130.1 | 3.1 | -171.8 | -55.3 | 0 | 0 | 0 | 0 | 114.7 | A15 A19 L55 H61 I62 S63 A65 | A15-V59 HydrophobicContact CB-CB 4Å; A15-V59 HydrophobicContact CB-CG1 4.26Å; A15-V59 HydrophobicContact CB-CG2 4.41Å; A19-V59 HydrophobicContact CB-CG2 3.68Å; L55-V59 WeakPolarHBondContact O-CG2 3.39Å; L55-V59 PolarHBondContact O-N 2.84Å; V59-H61 VanDerWaalsContact C-N 3.31Å; V59-H61 PolarHBondContact O-N 3.5Å; V59-I62 HydrophobicContact CB-CD1 4.47Å; V59-I62 HydrophobicContact CG1-CD1 4.41Å; V59-I62 WeakPolarHBondContact O-CB 3.31Å; V59-I62 PolarHBondContact O-N 3.48Å; V59-S63 PolarHBondContact O-N 3.32Å; V59-S63 PolarHBondContact O-OG 3.32Å; V59-A65 HydrophobicContact CG2-CB 3.99Å |
| 60 | G | 96.8 | Very high | 98.3 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V56 I62 G64 | V56-G60 WeakPolarHBondContact O-CA 3.39Å; V56-G60 PolarHBondContact O-N 2.96Å; G60-I62 PolarHBondContact O-N 3.32Å; G60-G64 VanDerWaalsContact O-CA 3.27Å; G60-G64 WeakPolarHBondContact O-CA 3.31Å; G60-G64 PolarHBondContact O-N 3.08Å |
| 61 | H | 96.6 | Very high | 98.3 | Very high | 155 Ų | 155 | 31 Ų | 31 | 72% | 0.718 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -68.8 | -14.3 | 176 | 67 | -83.2 | 0 | 0 | 0 | 114.1 | S58 V59 | S58-H61 PolarHBondContact O-CE1 2.88Å; V59-H61 VanDerWaalsContact C-N 3.31Å; V59-H61 PolarHBondContact O-N 3.5Å |
| 62 | I | 97.9 | Very high | 98.3 | Very high | 76 Ų | 76 | 30.3 Ų | 30.3 | 39% | 0.39 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -94.7 | -43.1 | -179.7 | -53.4 | 177.9 | 0 | 0 | 0 | 110.9 | R11 A15 V59 G60 | R11-I62 HydrophobicContact CB-CG2 4.36Å; A15-I62 HydrophobicContact CB-CB 4.36Å; A15-I62 HydrophobicContact CB-CG2 4.03Å; V59-I62 HydrophobicContact CB-CD1 4.47Å; V59-I62 HydrophobicContact CG1-CD1 4.41Å; V59-I62 WeakPolarHBondContact O-CB 3.31Å; V59-I62 PolarHBondContact O-N 3.48Å; G60-I62 PolarHBondContact O-N 3.32Å |
| 63 | S | 97.8 | Very high | 98.3 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -129.6 | -15.8 | -166.9 | 58.1 | 0 | 0 | 0 | 0 | 114.9 | E16 V59 A65 Y89 | E16-S63 PolarHBondContact OE1-OG 2.91Å; V59-S63 PolarHBondContact O-N 3.32Å; V59-S63 PolarHBondContact O-OG 3.32Å; S63-A65 VanDerWaalsContact C-N 3.31Å; S63-A65 PolarHBondContact OG-N 3.02Å; S63-A65 VanDerWaalsContact OG-N 3.08Å; S63-Y89 WeakPolarHBondContact CA-OH 3.49Å; S63-Y89 VanDerWaalsContact O-CE2 3.31Å; S63-Y89 WeakPolarHBondContact O-CE2 3.35Å; S63-Y89 PolarHBondContact O-OH 2.78Å |
| 64 | G | 97.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 19% | 0.186 | 18% | 0.181 | C | C | . | . | trans | 87.3 | -6.2 | -162.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G60 H66 Y149 | G60-G64 VanDerWaalsContact O-CA 3.27Å; G60-G64 WeakPolarHBondContact O-CA 3.31Å; G60-G64 PolarHBondContact O-N 3.08Å; G64-H66 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-N 3Å; G64-Y149 VanDerWaalsContact O-CE2 3.3Å; G64-Y149 WeakPolarHBondContact O-CE2 3.49Å; G64-Y149 PolarHBondContact O-OH 2.73Å; G64-Y149 VanDerWaalsContact O-OH 3.07Å | ||
| 65 | A | 98.3 | Very high | 98.3 | Very high | 4 Ų | 4 | 29.4 Ų | 29.4 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | trans | 47.8 | 50.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | E16 V56 V59 S63 | E16-A65 WeakPolarHBondContact OE1-CA 3.4Å; E16-A65 PolarHBondContact OE1-N 3.32Å; V56-A65 HydrophobicContact CB-CB 4.28Å; V56-A65 HydrophobicContact CG2-CB 3.92Å; V59-A65 HydrophobicContact CG2-CB 3.99Å; S63-A65 VanDerWaalsContact C-N 3.31Å; S63-A65 PolarHBondContact OG-N 3.02Å; S63-A65 VanDerWaalsContact OG-N 3.08Å | ||
| 66 | H | 98.8 | Very high | 98.3 | Very high | 14 Ų | 14 | 30 Ų | 30 | 7% | 0.065 | 16% | 0.162 | C | C | . | . | trans | -63.4 | -46.9 | 179.4 | -69.5 | -168.5 | 0 | 0 | 0 | 110.5 | E16 G64 N68 V71 T72 F75 Y89 | E16-H66 PolarHBondContact OE1-N 3Å; G64-H66 VanDerWaalsContact C-N 3.32Å; G64-H66 PolarHBondContact O-N 3Å; H66-N68 WeakPolarHBondContact O-CB 3.44Å; H66-N68 PolarHBondContact O-N 2.83Å; H66-V71 HydrophobicContact CB-CB 4.46Å; H66-V71 HydrophobicContact CB-CG1 4.13Å; H66-T72 WeakPolarHBondContact CB-OG1 3.27Å; H66-T72 WeakPolarHBondContact ND1-CA 3.3Å; H66-T72 PolarHBondContact ND1-OG1 3.48Å; H66-T72 VanDerWaalsContact ND1-OG1 3.09Å; H66-F75 AromaticContact CE1-CD2 3.49Å; H66-F75 VanDerWaalsContact CE1-CD2 3.49Å; H66-F75 WeakPolarHBondContact CE1-CD2 3.44Å; H66-F75 AromaticContact CE1-CG 3.69Å; H66-F75 AromaticContact NE2-CD2 3.4Å; H66-F75 WeakPolarHBondContact NE2-CD2 3.32Å; H66-F75 AromaticContact NE2-CE2 3.67Å; H66-F75 AromaticContact NE2-CG 3.75Å; H66-Y89 HydrophobicContact CB-CD2 4.36Å; H66-Y89 AromaticContact ND1-CD2 3.64Å; H66-Y89 AromaticContact ND1-CE2 3.95Å | ||
| 67 | V | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | trans | 47.5 | 18.9 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 114.8 | E16 A19 T20 L52 N184 | E16-V67 WeakPolarHBondContact OE2-CA 3.41Å; E16-V67 PolarHBondContact OE2-N 3.39Å; A19-V67 HydrophobicContact CB-CG1 3.37Å; T20-V67 WeakPolarHBondContact OG1-CA 3.26Å; L52-V67 HydrophobicContact CD1-CG2 3.37Å; V67-N184 PolarHBondContact O-ND2 3.3Å | ||
| 68 | N | 98.9 | Very high | 98 | Very high | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -160.2 | 121.6 | -164.8 | -176 | -19.4 | 0 | 0 | 0 | 109.9 | H66 A70 V71 T72 Q93 M183 N184 P185 | H66-N68 WeakPolarHBondContact O-CB 3.44Å; H66-N68 PolarHBondContact O-N 2.83Å; N68-A70 VanDerWaalsContact C-N 3.28Å; N68-A70 PolarHBondContact O-N 3.47Å; N68-A70 WeakPolarHBondContact OD1-CB 3.41Å; N68-A70 PolarHBondContact OD1-N 2.98Å; N68-V71 HydrophobicContact CB-CB 3.97Å; N68-V71 HydrophobicContact CB-CG2 3.74Å; N68-V71 PolarHBondContact O-N 3.23Å; N68-T72 PolarHBondContact O-N 2.83Å; N68-T72 PolarHBondContact O-OG1 3.42Å; N68-Q93 PolarHBondContact O-OE1 2.9Å; N68-M183 PolarHBondContact ND2-O 3.18Å; N68-N184 HydrophobicContact CB-CB 4.35Å; N68-N184 WeakPolarHBondContact CB-ND2 3.27Å; N68-N184 WeakPolarHBondContact ND2-CB 3.41Å; N68-N184 WeakPolarHBondContact OD1-CA 3.41Å; N68-P185 VanDerWaalsContact OD1-CD 3.29Å; N68-P185 WeakPolarHBondContact OD1-CD 3.37Å |
| 69 | P | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -34.3 | 176.3 | -28.8 | 36.7 | 0 | 0 | 0 | 114.1 | T72 F73 M90 Q93 N184 P185 A186 | P69-T72 PolarHBondContact O-N 3.05Å; P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.31Å; P69-F73 PolarHBondContact O-N 3.24Å; P69-M90 HydrophobicContact CB-CG 3.91Å; P69-M90 HydrophobicContact CB-SD 4.18Å; P69-Q93 HydrophobicContact CG-CB 4.44Å; P69-N184 WeakPolarHBondContact CD-OD1 3.4Å; P69-P185 HydrophobicContact CB-CB 4.18Å; P69-P185 HydrophobicContact CB-CG 4.16Å; P69-P185 HydrophobicContact CG-CB 4.19Å; P69-A186 HydrophobicContact CG-CB 3.85Å |
| 70 | A | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.9 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | N68 A74 T138 P185 P208 I209 | N68-A70 VanDerWaalsContact C-N 3.28Å; N68-A70 PolarHBondContact O-N 3.47Å; N68-A70 WeakPolarHBondContact OD1-CB 3.41Å; N68-A70 PolarHBondContact OD1-N 2.98Å; A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 3.38Å; A70-T138 HydrophobicContact CB-CG2 4.04Å; A70-P185 HydrophobicContact CB-CG 4.31Å; A70-P208 HydrophobicContact CB-CB 3.67Å; A70-P208 WeakPolarHBondContact CB-O 3.09Å; A70-I209 HydrophobicContact CB-CD1 4.46Å |
| 71 | V | 98.9 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.6 | -45.8 | 173.3 | 175.8 | 0 | 0 | 0 | 0 | 109.9 | H66 N68 F73 A74 F75 F141 V142 I145 | H66-V71 HydrophobicContact CB-CB 4.46Å; H66-V71 HydrophobicContact CB-CG1 4.13Å; N68-V71 HydrophobicContact CB-CB 3.97Å; N68-V71 HydrophobicContact CB-CG2 3.74Å; N68-V71 PolarHBondContact O-N 3.23Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 2.92Å; V71-A74 WeakPolarHBondContact O-CA 3.38Å; V71-A74 VanDerWaalsContact O-CB 3.31Å; V71-A74 WeakPolarHBondContact O-CB 3.33Å; V71-A74 PolarHBondContact O-N 3.2Å; V71-F75 HydrophobicContact CG1-CD2 3.8Å; V71-F75 HydrophobicContact CG1-CE2 3.66Å; V71-F75 VanDerWaalsContact O-CD2 3.31Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.46Å; V71-F141 HydrophobicContact CG2-CD1 4.15Å; V71-F141 HydrophobicContact CG2-CE1 3.52Å; V71-F141 HydrophobicContact CG2-CZ 4.32Å; V71-V142 HydrophobicContact CG2-CG2 4.22Å; V71-I145 HydrophobicContact CG1-CD1 3.95Å; V71-I145 HydrophobicContact CG2-CD1 3.69Å |
| 72 | T | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59 | -43.7 | 176.7 | -57 | 0 | 0 | 0 | 0 | 112 | H66 N68 P69 A74 F75 L76 M81 A86 Y89 M90 Q93 | H66-T72 WeakPolarHBondContact CB-OG1 3.27Å; H66-T72 WeakPolarHBondContact ND1-CA 3.3Å; H66-T72 PolarHBondContact ND1-OG1 3.48Å; H66-T72 VanDerWaalsContact ND1-OG1 3.09Å; N68-T72 PolarHBondContact O-N 2.83Å; N68-T72 PolarHBondContact O-OG1 3.42Å; P69-T72 PolarHBondContact O-N 3.05Å; T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 3.38Å; T72-F75 PolarHBondContact O-N 3.34Å; T72-L76 PolarHBondContact O-N 3Å; T72-M81 HydrophobicContact CG2-CE 3.91Å; T72-M81 HydrophobicContact CG2-SD 3.68Å; T72-M81 VanDerWaalsContact O-SD 3.38Å; T72-A86 HydrophobicContact CG2-CB 3.95Å; T72-Y89 HydrophobicContact CG2-CD2 4.45Å; T72-M90 HydrophobicContact CG2-CG 3.95Å; T72-Q93 PolarHBondContact OG1-NE2 3.09Å; T72-Q93 PolarHBondContact OG1-OE1 3.49Å |
| 73 | F | 98.8 | Very high | 97.6 | Very high | 62 Ų | 62 | 18.8 Ų | 18.8 | 27% | 0.272 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 173.7 | 179.7 | -101 | 0 | 0 | 0 | 112.1 | P69 V71 L76 V77 I209 | P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.31Å; P69-F73 PolarHBondContact O-N 3.24Å; V71-F73 VanDerWaalsContact C-N 3.31Å; V71-F73 PolarHBondContact O-N 2.92Å; F73-L76 WeakPolarHBondContact O-CB 3.16Å; F73-L76 PolarHBondContact O-N 2.97Å; F73-V77 HydrophobicContact CD1-CG2 4.13Å; F73-V77 HydrophobicContact CE1-CG2 3.64Å; F73-V77 HydrophobicContact CE2-CG2 4.12Å; F73-V77 HydrophobicContact CZ-CG2 3.63Å; F73-V77 WeakPolarHBondContact O-CG2 3.47Å; F73-V77 PolarHBondContact O-N 3.48Å; F73-I209 HydrophobicContact CB-CD1 3.78Å; F73-I209 HydrophobicContact CD1-CD1 4.19Å; F73-I209 HydrophobicContact CD1-CG2 3.77Å; F73-I209 HydrophobicContact CE1-CG2 3.67Å; F73-I209 HydrophobicContact CG-CD1 3.93Å; F73-I209 HydrophobicContact CG-CG2 4.27Å; F73-I209 HydrophobicContact CZ-CG2 4.11Å |
| 74 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A70 V71 T72 L76 V77 G78 V142 F146 G212 S216 | A70-A74 WeakPolarHBondContact O-CB 3.08Å; A70-A74 PolarHBondContact O-N 3.38Å; V71-A74 WeakPolarHBondContact O-CA 3.38Å; V71-A74 VanDerWaalsContact O-CB 3.31Å; V71-A74 WeakPolarHBondContact O-CB 3.33Å; V71-A74 PolarHBondContact O-N 3.2Å; T72-A74 VanDerWaalsContact C-N 3.33Å; T72-A74 PolarHBondContact O-N 3.38Å; A74-L76 VanDerWaalsContact C-N 3.28Å; A74-L76 PolarHBondContact O-N 3.05Å; A74-V77 PolarHBondContact O-N 3.25Å; A74-G78 PolarHBondContact O-N 3.2Å; A74-V142 HydrophobicContact CB-CG1 3.52Å; A74-V142 HydrophobicContact CB-CG2 4.18Å; A74-F146 HydrophobicContact CB-CE2 3.89Å; A74-F146 HydrophobicContact CB-CZ 4.21Å; A74-F146 WeakPolarHBondContact O-CZ 3.27Å; A74-G212 WeakPolarHBondContact CB-O 3.4Å; A74-S216 WeakPolarHBondContact O-CB 3.26Å; A74-S216 PolarHBondContact O-OG 2.86Å |
| 75 | F | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 21.4 Ų | 21.4 | 6% | 0.057 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.6 | -32.5 | 175.3 | -82 | -84.2 | 0 | 0 | 0 | 113 | H66 V71 T72 S79 Q80 M81 I145 F146 Y149 | H66-F75 AromaticContact CE1-CD2 3.49Å; H66-F75 VanDerWaalsContact CE1-CD2 3.49Å; H66-F75 WeakPolarHBondContact CE1-CD2 3.44Å; H66-F75 AromaticContact CE1-CG 3.69Å; H66-F75 AromaticContact NE2-CD2 3.4Å; H66-F75 WeakPolarHBondContact NE2-CD2 3.32Å; H66-F75 AromaticContact NE2-CE2 3.67Å; H66-F75 AromaticContact NE2-CG 3.75Å; V71-F75 HydrophobicContact CG1-CD2 3.8Å; V71-F75 HydrophobicContact CG1-CE2 3.66Å; V71-F75 VanDerWaalsContact O-CD2 3.31Å; V71-F75 WeakPolarHBondContact O-CD2 3.43Å; V71-F75 PolarHBondContact O-N 3.46Å; T72-F75 PolarHBondContact O-N 3.34Å; F75-S79 PolarHBondContact O-N 2.81Å; F75-Q80 HydrophobicContact CD1-CB 3.85Å; F75-Q80 HydrophobicContact CD1-CG 4.43Å; F75-Q80 VanDerWaalsContact CD1-OE1 3.22Å; F75-Q80 PolarHBondContact O-N 3.39Å; F75-M81 HydrophobicContact CB-CG 4.15Å; F75-M81 HydrophobicContact CB-SD 3.76Å; F75-I145 HydrophobicContact CE2-CG2 3.7Å; F75-I145 HydrophobicContact CZ-CG2 3.71Å; F75-F146 HydrophobicContact CD1-CE2 4.47Å; F75-F146 HydrophobicContact CD1-CZ 4.43Å; F75-F146 HydrophobicContact CD2-CE2 4.18Å; F75-F146 HydrophobicContact CE1-CE2 4.45Å; F75-F146 HydrophobicContact CE2-CE2 4.17Å; F75-F146 HydrophobicContact CG-CE2 4.33Å; F75-F146 HydrophobicContact CG-CZ 4.42Å; F75-F146 HydrophobicContact CZ-CE2 4.3Å; F75-Y149 HydrophobicContact CE1-CD2 4.4Å; F75-Y149 AromaticContact CZ-CD2 3.75Å; F75-Y149 HydrophobicContact CZ-CD2 3.75Å; F75-Y149 HydrophobicContact CZ-CE2 4.3Å; F75-Y149 HydrophobicContact CZ-CG 4.39Å |
| 76 | L | 97.9 | Very high | 97.6 | Very high | 25 Ų | 25 | 21.2 Ų | 21.2 | 13% | 0.131 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.5 | -48.4 | 172.7 | -176.8 | 68.4 | 0 | 0 | 0 | 111.2 | T72 F73 A74 G78 S79 M81 L83 A86 L237 | T72-L76 PolarHBondContact O-N 3Å; F73-L76 WeakPolarHBondContact O-CB 3.16Å; F73-L76 PolarHBondContact O-N 2.97Å; A74-L76 VanDerWaalsContact C-N 3.28Å; A74-L76 PolarHBondContact O-N 3.05Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.25Å; L76-S79 WeakPolarHBondContact O-CA 3.27Å; L76-S79 PolarHBondContact O-N 3.42Å; L76-M81 HydrophobicContact CB-CG 4.3Å; L76-M81 HydrophobicContact CD1-CG 4.48Å; L76-L83 HydrophobicContact CD1-CB 4.41Å; L76-L83 HydrophobicContact CD1-CD1 4.23Å; L76-L83 HydrophobicContact CD2-CD1 3.88Å; L76-A86 HydrophobicContact CB-CB 4.2Å; L76-A86 HydrophobicContact CD1-CB 3.94Å; L76-A86 HydrophobicContact CD2-CB 4.07Å; L76-A86 HydrophobicContact CG-CB 4.3Å; L76-L237 HydrophobicContact CD1-CD2 3.51Å; L76-L237 HydrophobicContact CG-CD2 4.25Å |
| 77 | V | 96.3 | Very high | 97.6 | Very high | 46 Ų | 46 | 27.3 Ų | 27.3 | 28% | 0.279 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -62 | -40.8 | 176.9 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | F73 A74 S79 L217 | F73-V77 HydrophobicContact CD1-CG2 4.13Å; F73-V77 HydrophobicContact CE1-CG2 3.64Å; F73-V77 HydrophobicContact CE2-CG2 4.12Å; F73-V77 HydrophobicContact CZ-CG2 3.63Å; F73-V77 WeakPolarHBondContact O-CG2 3.47Å; F73-V77 PolarHBondContact O-N 3.48Å; A74-V77 PolarHBondContact O-N 3.25Å; V77-S79 PolarHBondContact O-N 3.47Å; V77-L217 HydrophobicContact CG1-CD2 3.95Å; V77-L217 HydrophobicContact CG1-CG 4.2Å |
| 78 | G | 95.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -1.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A74 L76 Q80 S216 D220 | A74-G78 PolarHBondContact O-N 3.2Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 3.25Å; G78-Q80 WeakPolarHBondContact O-CG 3.4Å; G78-Q80 PolarHBondContact O-N 2.79Å; G78-S216 WeakPolarHBondContact CA-OG 3.1Å; G78-S216 PolarHBondContact N-OG 2.9Å; G78-D220 WeakPolarHBondContact CA-OD2 3.22Å |
| 79 | S | 95.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.049 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 41.6 | -177.7 | -44.9 | 0 | 0 | 0 | 0 | 111.7 | F75 L76 V77 K228 R233 V236 | F75-S79 PolarHBondContact O-N 2.81Å; L76-S79 WeakPolarHBondContact O-CA 3.27Å; L76-S79 PolarHBondContact O-N 3.42Å; V77-S79 PolarHBondContact O-N 3.47Å; S79-K228 PolarHBondContact O-NZ 3.25Å; S79-R233 PolarHBondContact OG-NH1 2.82Å; S79-R233 VanDerWaalsContact OG-NH1 3.14Å; S79-V236 VanDerWaalsContact O-CG1 3.3Å; S79-V236 WeakPolarHBondContact O-CG1 3.27Å |
| 80 | Q | 94.6 | Very high | 97.6 | Very high | 63 Ų | 63 | 30.6 Ų | 30.6 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | trans | -108 | -8.5 | -179.6 | -61 | -165.3 | 7.9 | 0 | 0 | 112.6 | F75 G78 | F75-Q80 HydrophobicContact CD1-CB 3.85Å; F75-Q80 HydrophobicContact CD1-CG 4.43Å; F75-Q80 VanDerWaalsContact CD1-OE1 3.22Å; F75-Q80 PolarHBondContact O-N 3.39Å; G78-Q80 WeakPolarHBondContact O-CG 3.4Å; G78-Q80 PolarHBondContact O-N 2.79Å | ||
| 81 | M | 95.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 32.3 Ų | 32.3 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -142.2 | 157.4 | 174 | 70.7 | -174.8 | -45 | 0 | 0 | 111.7 | T72 F75 L76 R85 A86 Y89 | T72-M81 HydrophobicContact CG2-CE 3.91Å; T72-M81 HydrophobicContact CG2-SD 3.68Å; T72-M81 VanDerWaalsContact O-SD 3.38Å; F75-M81 HydrophobicContact CB-CG 4.15Å; F75-M81 HydrophobicContact CB-SD 3.76Å; L76-M81 HydrophobicContact CB-CG 4.3Å; L76-M81 HydrophobicContact CD1-CG 4.48Å; M81-R85 HydrophobicContact CE-CB 4.06Å; M81-R85 HydrophobicContact CE-CG 3.64Å; M81-A86 HydrophobicContact CE-CB 4.07Å; M81-A86 HydrophobicContact CG-CB 4.19Å; M81-A86 HydrophobicContact SD-CB 3.85Å; M81-Y89 HydrophobicContact CE-CD2 3.93Å; M81-Y89 HydrophobicContact CE-CE2 4.22Å; M81-Y89 HydrophobicContact CE-CG 4.18Å |
| 82 | S | 97.1 | Very high | 97.5 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | trans | -72.8 | 155.7 | 176.2 | 75.1 | 0 | 0 | 0 | 0 | 112 | E3 L84 R85 A86 V236 | E3-S82 PolarHBondContact OE1-OG 2.66Å; E3-S82 VanDerWaalsContact OE2-CB 3.3Å; E3-S82 WeakPolarHBondContact OE2-CB 3.42Å; E3-S82 PolarHBondContact OE2-OG 3.41Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 2.88Å; S82-R85 PolarHBondContact O-N 2.98Å; S82-R85 VanDerWaalsContact OG-CB 3.32Å; S82-R85 WeakPolarHBondContact OG-CB 3.3Å; S82-R85 PolarHBondContact OG-N 2.85Å; S82-R85 VanDerWaalsContact OG-N 3.11Å; S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.42Å; S82-V236 VanDerWaalsContact CA-O 3.29Å; S82-V236 WeakPolarHBondContact CA-O 3.49Å; S82-V236 WeakPolarHBondContact CB-O 3.28Å | ||
| 83 | L | 97.3 | Very high | 97.6 | Very high | 109 Ų | 109 | 32.5 Ų | 32.5 | 57% | 0.571 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -61.1 | -39.7 | 176.3 | -176.5 | 65.4 | 0 | 0 | 0 | 111.6 | L76 A86 F87 L237 | L76-L83 HydrophobicContact CD1-CB 4.41Å; L76-L83 HydrophobicContact CD1-CD1 4.23Å; L76-L83 HydrophobicContact CD2-CD1 3.88Å; L83-A86 PolarHBondContact O-N 3.41Å; L83-F87 WeakPolarHBondContact O-CB 3.12Å; L83-F87 PolarHBondContact O-N 2.7Å; L83-L237 PolarHBondContact N-O 3.18Å |
| 84 | L | 96.6 | Very high | 97.6 | Very high | 35 Ų | 35 | 31.4 Ų | 31.4 | 18% | 0.183 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | 176.7 | 176 | 66.7 | 0 | 0 | 0 | 110.9 | M1 E3 L4 F9 S82 A86 F87 C88 | M1-L84 HydrophobicContact CB-CD2 4.22Å; M1-L84 HydrophobicContact CE-CD1 3.96Å; M1-L84 HydrophobicContact CE-CD2 3.84Å; M1-L84 HydrophobicContact CE-CG 4.45Å; M1-L84 HydrophobicContact SD-CB 4.5Å; M1-L84 HydrophobicContact SD-CD2 3.81Å; E3-L84 HydrophobicContact CB-CD2 4.27Å; L4-L84 HydrophobicContact CD2-CD2 3.88Å; L4-L84 HydrophobicContact CG-CD2 3.91Å; F9-L84 HydrophobicContact CZ-CD2 4.29Å; F9-L84 HydrophobicContact CZ-CG 4.23Å; S82-L84 VanDerWaalsContact C-N 3.28Å; S82-L84 PolarHBondContact O-N 2.88Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.09Å; L84-F87 PolarHBondContact O-N 3.02Å; L84-C88 PolarHBondContact O-N 2.96Å; L84-C88 PolarHBondContact O-SG 3.37Å; L84-C88 VanDerWaalsContact O-SG 3.39Å |
| 85 | R | 97.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 36.9 Ų | 36.9 | 18% | 0.177 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 179.4 | -173.9 | 178.4 | -72.5 | -105.3 | 4 | 111.2 | E3 F9 M81 S82 F87 C88 Y89 | E3-R85 IonicContact OE1-CZ 2.66Å; E3-R85 IonicContact OE1-NE 3.35Å; E3-R85 PolarHBondContact OE1-NE 3.37Å; E3-R85 IonicContact OE1-NH2 2.92Å; F9-R85 HydrophobicContact CE2-CB 4Å; F9-R85 HydrophobicContact CE2-CG 4.19Å; M81-R85 HydrophobicContact CE-CB 4.06Å; M81-R85 HydrophobicContact CE-CG 3.64Å; S82-R85 PolarHBondContact O-N 2.98Å; S82-R85 VanDerWaalsContact OG-CB 3.32Å; S82-R85 WeakPolarHBondContact OG-CB 3.3Å; S82-R85 PolarHBondContact OG-N 2.85Å; S82-R85 VanDerWaalsContact OG-N 3.11Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 2.92Å; R85-C88 PolarHBondContact O-N 2.93Å; R85-Y89 HydrophobicContact CG-CD1 3.78Å; R85-Y89 HydrophobicContact CG-CE1 3.55Å; R85-Y89 HydrophobicContact CG-CG 4.47Å; R85-Y89 PolarHBondContact NH1-OH 2.79Å; R85-Y89 WeakPolarHBondContact O-CB 3.29Å; R85-Y89 VanDerWaalsContact O-CD1 3.32Å; R85-Y89 WeakPolarHBondContact O-CD1 3.49Å; R85-Y89 PolarHBondContact O-N 2.98Å |
| 86 | A | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T72 L76 M81 S82 L83 L84 Y89 M90 | T72-A86 HydrophobicContact CG2-CB 3.95Å; L76-A86 HydrophobicContact CB-CB 4.2Å; L76-A86 HydrophobicContact CD1-CB 3.94Å; L76-A86 HydrophobicContact CD2-CB 4.07Å; L76-A86 HydrophobicContact CG-CB 4.3Å; M81-A86 HydrophobicContact CE-CB 4.07Å; M81-A86 HydrophobicContact CG-CB 4.19Å; M81-A86 HydrophobicContact SD-CB 3.85Å; S82-A86 WeakPolarHBondContact O-CB 3.43Å; S82-A86 PolarHBondContact O-N 3.42Å; L83-A86 PolarHBondContact O-N 3.41Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.09Å; A86-Y89 PolarHBondContact O-N 3.29Å; A86-M90 HydrophobicContact CB-CE 4.22Å; A86-M90 VanDerWaalsContact O-CE 3.3Å; A86-M90 WeakPolarHBondContact O-CE 3.45Å; A86-M90 WeakPolarHBondContact O-CG 3.31Å; A86-M90 PolarHBondContact O-N 2.75Å |
| 87 | F | 98.3 | Very high | 97.7 | Very high | 142 Ų | 142 | 35 Ų | 35 | 62% | 0.623 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -62 | -48.6 | 176.2 | 178.8 | -98.2 | 0 | 0 | 0 | 112.3 | L83 L84 R85 Y89 M90 A91 | L83-F87 WeakPolarHBondContact O-CB 3.12Å; L83-F87 PolarHBondContact O-N 2.7Å; L84-F87 PolarHBondContact O-N 3.02Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 2.92Å; F87-Y89 VanDerWaalsContact C-N 3.33Å; F87-Y89 PolarHBondContact O-N 3.47Å; F87-M90 PolarHBondContact O-N 3.27Å; F87-A91 WeakPolarHBondContact O-CB 3.35Å; F87-A91 PolarHBondContact O-N 3.07Å |
| 88 | C | 98.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 16% | 0.162 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -38.1 | 178.8 | -68.2 | 0 | 0 | 0 | 0 | 112.5 | F9 I13 L84 R85 A92 | F9-C88 HydrophobicContact CZ-CB 4.16Å; I13-C88 HydrophobicContact CD1-CB 3.64Å; I13-C88 HydrophobicContact CG1-CB 4.06Å; L84-C88 PolarHBondContact O-N 2.96Å; L84-C88 PolarHBondContact O-SG 3.37Å; L84-C88 VanDerWaalsContact O-SG 3.39Å; R85-C88 PolarHBondContact O-N 2.93Å; C88-A92 VanDerWaalsContact O-CB 3.3Å; C88-A92 WeakPolarHBondContact O-CB 3.47Å; C88-A92 PolarHBondContact O-N 2.92Å |
| 89 | Y | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.02 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -50.7 | 174.4 | -88.5 | 35.6 | 0 | 0 | 0 | 111 | A12 I13 E16 S63 H66 T72 M81 R85 A86 F87 A91 A92 Q93 | A12-Y89 HydrophobicContact CB-CE1 4.13Å; A12-Y89 WeakPolarHBondContact CB-OH 3.31Å; I13-Y89 HydrophobicContact CG1-CD1 4.43Å; E16-Y89 HydrophobicContact CG-CD1 4.1Å; E16-Y89 HydrophobicContact CG-CD2 3.56Å; E16-Y89 HydrophobicContact CG-CE1 4.14Å; E16-Y89 HydrophobicContact CG-CE2 3.61Å; E16-Y89 HydrophobicContact CG-CG 3.82Å; S63-Y89 WeakPolarHBondContact CA-OH 3.49Å; S63-Y89 VanDerWaalsContact O-CE2 3.31Å; S63-Y89 WeakPolarHBondContact O-CE2 3.35Å; S63-Y89 PolarHBondContact O-OH 2.78Å; H66-Y89 HydrophobicContact CB-CD2 4.36Å; H66-Y89 AromaticContact ND1-CD2 3.64Å; H66-Y89 AromaticContact ND1-CE2 3.95Å; T72-Y89 HydrophobicContact CG2-CD2 4.45Å; M81-Y89 HydrophobicContact CE-CD2 3.93Å; M81-Y89 HydrophobicContact CE-CE2 4.22Å; M81-Y89 HydrophobicContact CE-CG 4.18Å; R85-Y89 HydrophobicContact CG-CD1 3.78Å; R85-Y89 HydrophobicContact CG-CE1 3.55Å; R85-Y89 HydrophobicContact CG-CG 4.47Å; R85-Y89 PolarHBondContact NH1-OH 2.79Å; R85-Y89 WeakPolarHBondContact O-CB 3.29Å; R85-Y89 VanDerWaalsContact O-CD1 3.32Å; R85-Y89 WeakPolarHBondContact O-CD1 3.49Å; R85-Y89 PolarHBondContact O-N 2.98Å; A86-Y89 PolarHBondContact O-N 3.29Å; F87-Y89 VanDerWaalsContact C-N 3.33Å; F87-Y89 PolarHBondContact O-N 3.47Å; Y89-A91 VanDerWaalsContact C-N 3.31Å; Y89-A91 PolarHBondContact O-N 3.38Å; Y89-A92 PolarHBondContact O-N 2.96Å; Y89-Q93 WeakPolarHBondContact O-CB 3.4Å; Y89-Q93 VanDerWaalsContact O-CD 3.25Å; Y89-Q93 WeakPolarHBondContact O-CG 3.46Å; Y89-Q93 PolarHBondContact O-N 2.87Å |
| 90 | M | 98.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 35.7 Ų | 35.7 | 22% | 0.222 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 179.3 | -72.4 | -174.9 | -81.2 | 0 | 0 | 112.1 | P69 T72 A86 F87 Q93 L94 | P69-M90 HydrophobicContact CB-CG 3.91Å; P69-M90 HydrophobicContact CB-SD 4.18Å; T72-M90 HydrophobicContact CG2-CG 3.95Å; A86-M90 HydrophobicContact CB-CE 4.22Å; A86-M90 VanDerWaalsContact O-CE 3.3Å; A86-M90 WeakPolarHBondContact O-CE 3.45Å; A86-M90 WeakPolarHBondContact O-CG 3.31Å; A86-M90 PolarHBondContact O-N 2.75Å; F87-M90 PolarHBondContact O-N 3.27Å; M90-Q93 PolarHBondContact O-N 3.42Å; M90-L94 WeakPolarHBondContact O-CB 3.46Å; M90-L94 VanDerWaalsContact O-CG 3.25Å; M90-L94 WeakPolarHBondContact O-CG 3.34Å; M90-L94 PolarHBondContact O-N 2.87Å |
| 91 | A | 98.8 | Very high | 98.3 | Very high | 37 Ų | 37 | 32.7 Ų | 32.7 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F87 Y89 Q93 L94 L95 | F87-A91 WeakPolarHBondContact O-CB 3.35Å; F87-A91 PolarHBondContact O-N 3.07Å; Y89-A91 VanDerWaalsContact C-N 3.31Å; Y89-A91 PolarHBondContact O-N 3.38Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 2.88Å; A91-L94 PolarHBondContact O-N 2.66Å; A91-L95 WeakPolarHBondContact O-CB 3.27Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.39Å; A91-L95 PolarHBondContact O-N 2.9Å |
| 92 | A | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I13 E16 F17 C88 Y89 G96 | I13-A92 HydrophobicContact CG2-CB 3.92Å; E16-A92 HydrophobicContact CB-CB 4.33Å; F17-A92 HydrophobicContact CB-CB 4.17Å; C88-A92 VanDerWaalsContact O-CB 3.3Å; C88-A92 WeakPolarHBondContact O-CB 3.47Å; C88-A92 PolarHBondContact O-N 2.92Å; Y89-A92 PolarHBondContact O-N 2.96Å; A92-G96 WeakPolarHBondContact O-CA 3.38Å; A92-G96 PolarHBondContact O-N 3.12Å |
| 93 | Q | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -46.8 | 176.8 | -70.5 | 156.6 | 2 | 0 | 0 | 111.4 | E16 T20 N68 P69 T72 Y89 M90 A91 G96 A97 A186 | E16-Q93 HydrophobicContact CB-CG 4.45Å; E16-Q93 PolarHBondContact OE2-NE2 3.27Å; T20-Q93 HydrophobicContact CG2-CB 4.19Å; T20-Q93 WeakPolarHBondContact CG2-O 3.28Å; T20-Q93 WeakPolarHBondContact OG1-CG 3.46Å; N68-Q93 PolarHBondContact O-OE1 2.9Å; P69-Q93 HydrophobicContact CG-CB 4.44Å; T72-Q93 PolarHBondContact OG1-NE2 3.09Å; T72-Q93 PolarHBondContact OG1-OE1 3.49Å; Y89-Q93 WeakPolarHBondContact O-CB 3.4Å; Y89-Q93 VanDerWaalsContact O-CD 3.25Å; Y89-Q93 WeakPolarHBondContact O-CG 3.46Å; Y89-Q93 PolarHBondContact O-N 2.87Å; M90-Q93 PolarHBondContact O-N 3.42Å; A91-Q93 VanDerWaalsContact C-N 3.34Å; A91-Q93 PolarHBondContact O-N 2.88Å; Q93-G96 PolarHBondContact O-N 3.19Å; Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.89Å; Q93-A186 HydrophobicContact CB-CB 4.24Å |
| 94 | L | 98.9 | Very high | 98.6 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 20% | 0.204 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 178.5 | -70.9 | 166.2 | 0 | 0 | 0 | 111.8 | M90 A91 A97 V98 A186 F189 W205 | M90-L94 WeakPolarHBondContact O-CB 3.46Å; M90-L94 VanDerWaalsContact O-CG 3.25Å; M90-L94 WeakPolarHBondContact O-CG 3.34Å; M90-L94 PolarHBondContact O-N 2.87Å; A91-L94 PolarHBondContact O-N 2.66Å; L94-A97 PolarHBondContact O-N 3.2Å; L94-V98 VanDerWaalsContact O-CG2 3.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.29Å; L94-V98 PolarHBondContact O-N 3.13Å; L94-A186 HydrophobicContact CD2-CB 4.06Å; L94-F189 HydrophobicContact CD2-CB 4.04Å; L94-F189 HydrophobicContact CD2-CD1 3.67Å; L94-F189 HydrophobicContact CD2-CE1 4.32Å; L94-F189 HydrophobicContact CD2-CG 3.93Å; L94-W205 HydrophobicContact CD1-CH2 4.14Å; L94-W205 HydrophobicContact CD2-CH2 3.75Å; L94-W205 HydrophobicContact CD2-CZ2 3.95Å |
| 95 | L | 98.9 | Very high | 98.7 | Very high | 114 Ų | 114 | 36 Ų | 36 | 60% | 0.597 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -66.4 | -41.1 | 177.3 | -66.9 | 174.7 | 0 | 0 | 0 | 111.8 | F17 A91 V98 A99 | F17-L95 HydrophobicContact CD2-CB 4.14Å; F17-L95 HydrophobicContact CE2-CB 3.96Å; A91-L95 WeakPolarHBondContact O-CB 3.27Å; A91-L95 VanDerWaalsContact O-CG 3.31Å; A91-L95 WeakPolarHBondContact O-CG 3.39Å; A91-L95 PolarHBondContact O-N 2.9Å; L95-V98 PolarHBondContact O-N 3.03Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.46Å |
| 96 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | F17 L21 A92 Q93 V98 A99 G100 | F17-G96 WeakPolarHBondContact O-CA 3.31Å; L21-G96 WeakPolarHBondContact CA-O 3.41Å; L21-G96 WeakPolarHBondContact CB-O 3.45Å; A92-G96 WeakPolarHBondContact O-CA 3.38Å; A92-G96 PolarHBondContact O-N 3.12Å; Q93-G96 PolarHBondContact O-N 3.19Å; G96-V98 PolarHBondContact O-N 2.94Å; G96-A99 PolarHBondContact O-N 2.95Å; G96-G100 PolarHBondContact O-N 2.85Å |
| 97 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -49 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T20 V24 Q93 L94 A99 G100 A101 A186 A190 | T20-A97 HydrophobicContact CG2-CB 3.86Å; V24-A97 HydrophobicContact CB-CB 4.47Å; V24-A97 WeakPolarHBondContact CG1-O 3.45Å; V24-A97 HydrophobicContact CG2-CB 3.68Å; Q93-A97 WeakPolarHBondContact O-CB 3.36Å; Q93-A97 PolarHBondContact O-N 2.89Å; L94-A97 PolarHBondContact O-N 3.2Å; A97-A99 PolarHBondContact O-N 3.22Å; A97-G100 PolarHBondContact O-N 3.43Å; A97-A101 PolarHBondContact O-N 3.11Å; A97-A186 HydrophobicContact CB-CB 3.88Å; A97-A186 VanDerWaalsContact CB-O 3.31Å; A97-A186 WeakPolarHBondContact CB-O 3.49Å; A97-A190 VanDerWaalsContact C-CB 3.43Å; A97-A190 HydrophobicContact CB-CB 3.81Å; A97-A190 VanDerWaalsContact O-CB 3.3Å; A97-A190 WeakPolarHBondContact O-CB 3.32Å |
| 98 | V | 98.9 | Very high | 98.7 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.6 | -44.8 | 177 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | L94 L95 G96 G100 A101 A102 F189 A190 I193 L194 | L94-V98 VanDerWaalsContact O-CG2 3.32Å; L94-V98 WeakPolarHBondContact O-CG2 3.29Å; L94-V98 PolarHBondContact O-N 3.13Å; L95-V98 PolarHBondContact O-N 3.03Å; G96-V98 PolarHBondContact O-N 2.94Å; V98-G100 PolarHBondContact O-N 3.05Å; V98-A101 PolarHBondContact O-N 3.28Å; V98-A102 VanDerWaalsContact O-CB 3.27Å; V98-A102 WeakPolarHBondContact O-CB 3.42Å; V98-A102 PolarHBondContact O-N 2.94Å; V98-F189 HydrophobicContact CG2-CD1 4.02Å; V98-F189 HydrophobicContact CG2-CE1 3.87Å; V98-A190 HydrophobicContact CG2-CB 4.4Å; V98-I193 HydrophobicContact CG2-CG2 3.76Å; V98-L194 HydrophobicContact CG1-CD1 3.91Å |
| 99 | A | 98.9 | Very high | 98.7 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F17 L21 L95 G96 A97 A102 V103 | F17-A99 HydrophobicContact CE2-CB 4.45Å; F17-A99 HydrophobicContact CZ-CB 4.02Å; L21-A99 HydrophobicContact CD1-CB 3.98Å; L21-A99 HydrophobicContact CG-CB 4.36Å; L95-A99 WeakPolarHBondContact O-CB 3.38Å; L95-A99 PolarHBondContact O-N 3.46Å; G96-A99 PolarHBondContact O-N 2.95Å; A97-A99 PolarHBondContact O-N 3.22Å; A99-A102 PolarHBondContact O-N 2.83Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.16Å; A99-V103 PolarHBondContact O-N 2.82Å |
| 100 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L21 G96 A97 V98 L104 | L21-G100 WeakPolarHBondContact O-CA 3.34Å; G96-G100 PolarHBondContact O-N 2.85Å; A97-G100 PolarHBondContact O-N 3.43Å; V98-G100 PolarHBondContact O-N 3.05Å; G100-L104 WeakPolarHBondContact O-CB 3.42Å; G100-L104 PolarHBondContact O-N 3.48Å |
| 101 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V24 L28 A97 V98 L104 Y105 A190 L194 | V24-A101 HydrophobicContact CG1-CB 3.96Å; L28-A101 HydrophobicContact CD2-CB 4.05Å; A97-A101 PolarHBondContact O-N 3.11Å; V98-A101 PolarHBondContact O-N 3.28Å; A101-L104 PolarHBondContact O-N 3.46Å; A101-Y105 WeakPolarHBondContact O-CB 3.24Å; A101-Y105 PolarHBondContact O-N 3.24Å; A101-A190 HydrophobicContact CB-CB 3.82Å; A101-L194 HydrophobicContact CB-CD2 3.78Å |
| 102 | A | 98.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 37% | 0.372 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.3 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V98 A99 L104 Y105 S106 L194 | V98-A102 VanDerWaalsContact O-CB 3.27Å; V98-A102 WeakPolarHBondContact O-CB 3.42Å; V98-A102 PolarHBondContact O-N 2.94Å; A99-A102 PolarHBondContact O-N 2.83Å; A102-L104 VanDerWaalsContact C-N 3.35Å; A102-Y105 PolarHBondContact O-N 3.39Å; A102-S106 PolarHBondContact O-N 2.94Å; A102-L194 HydrophobicContact CB-CD2 4.22Å |
| 103 | V | 98.8 | Very high | 98 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 172.7 | 175 | 0 | 0 | 0 | 0 | 110.1 | F25 A99 Y105 S106 V107 | F25-V103 HydrophobicContact CD2-CB 4.32Å; F25-V103 HydrophobicContact CD2-CG1 4.03Å; F25-V103 HydrophobicContact CE2-CG1 3.85Å; A99-V103 VanDerWaalsContact O-CG2 3.31Å; A99-V103 WeakPolarHBondContact O-CG2 3.16Å; A99-V103 PolarHBondContact O-N 2.82Å; V103-Y105 VanDerWaalsContact C-N 3.34Å; V103-Y105 PolarHBondContact O-N 3.3Å; V103-S106 PolarHBondContact O-N 3.35Å; V103-S106 PolarHBondContact O-OG 3.48Å; V103-V107 WeakPolarHBondContact O-CG2 3.39Å; V103-V107 PolarHBondContact O-N 3.32Å |
| 104 | L | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -46 | 174.5 | 178 | 65.5 | 0 | 0 | 0 | 111.6 | F25 L28 G29 L32 G100 A101 A102 S106 V107 T108 | F25-L104 HydrophobicContact CD2-CB 3.8Å; F25-L104 HydrophobicContact CD2-CD1 4.42Å; F25-L104 HydrophobicContact CE2-CB 4.14Å; F25-L104 HydrophobicContact CE2-CD1 4.25Å; L28-L104 HydrophobicContact CB-CD2 3.39Å; G29-L104 VanDerWaalsContact N-CD2 3.33Å; L32-L104 HydrophobicContact CD1-CD1 4.44Å; L32-L104 HydrophobicContact CD1-CD2 4.47Å; G100-L104 WeakPolarHBondContact O-CB 3.42Å; G100-L104 PolarHBondContact O-N 3.48Å; A101-L104 PolarHBondContact O-N 3.46Å; A102-L104 VanDerWaalsContact C-N 3.35Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.35Å; L104-V107 PolarHBondContact O-N 3.42Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.24Å; L104-T108 WeakPolarHBondContact O-CB 3.46Å; L104-T108 PolarHBondContact O-N 3.01Å; L104-T108 PolarHBondContact O-OG1 3.02Å |
| 105 | Y | 98.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 50.6 Ų | 50.6 | 44% | 0.435 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 178.2 | -178.3 | -87.7 | 0 | 0 | 0 | 111.8 | A101 A102 V103 R113 L116 | A101-Y105 WeakPolarHBondContact O-CB 3.24Å; A101-Y105 PolarHBondContact O-N 3.24Å; A102-Y105 PolarHBondContact O-N 3.39Å; V103-Y105 VanDerWaalsContact C-N 3.34Å; V103-Y105 PolarHBondContact O-N 3.3Å; Y105-R113 HydrophobicContact CD2-CG 4.45Å; Y105-R113 VanDerWaalsContact CZ-NH1 3.29Å; Y105-R113 VanDerWaalsContact O-CZ 3.25Å; Y105-R113 PolarHBondContact O-NE 2.87Å; Y105-R113 PolarHBondContact O-NH2 2.85Å; Y105-R113 PolarHBondContact OH-NH1 2.99Å; Y105-L116 HydrophobicContact CD2-CD1 3.92Å; Y105-L116 HydrophobicContact CD2-CD2 4.13Å; Y105-L116 HydrophobicContact CD2-CG 4.27Å |
| 106 | S | 98.4 | Very high | 97.5 | Very high | 82 Ų | 82 | 45.3 Ų | 45.3 | 57% | 0.573 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -68.5 | -36.4 | -178.3 | 72.9 | 0 | 0 | 0 | 0 | 113 | A102 V103 L104 | A102-S106 PolarHBondContact O-N 2.94Å; V103-S106 PolarHBondContact O-N 3.35Å; V103-S106 PolarHBondContact O-OG 3.48Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 3.35Å |
| 107 | V | 98.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 46 Ų | 46 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -89.2 | -16 | -178.5 | -55 | 0 | 0 | 0 | 0 | 113.8 | F25 V103 L104 | F25-V107 HydrophobicContact CE2-CG2 3.95Å; F25-V107 HydrophobicContact CZ-CG2 4.25Å; V103-V107 WeakPolarHBondContact O-CG2 3.39Å; V103-V107 PolarHBondContact O-N 3.32Å; L104-V107 PolarHBondContact O-N 3.42Å |
| 108 | T | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -87.8 | 132.5 | -178 | -59.4 | 0 | 0 | 0 | 0 | 111.1 | L32 W34 L104 V112 R113 | L32-T108 HydrophobicContact CD1-CG2 3.52Å; W34-T108 HydrophobicContact CH2-CG2 4.48Å; L104-T108 WeakPolarHBondContact CD1-OG1 3.24Å; L104-T108 WeakPolarHBondContact O-CB 3.46Å; L104-T108 PolarHBondContact O-N 3.01Å; L104-T108 PolarHBondContact O-OG1 3.02Å; T108-V112 HydrophobicContact CG2-CB 4.09Å; T108-V112 HydrophobicContact CG2-CG1 4.29Å; T108-R113 HydrophobicContact CG2-CG 3.78Å; T108-R113 VanDerWaalsContact O-CZ 3.3Å; T108-R113 PolarHBondContact O-NE 3.4Å; T108-R113 PolarHBondContact O-NH2 3.42Å |
| 109 | P | 97.5 | Very high | 97.4 | Very high | 64 Ų | 64 | 45 Ų | 45 | 42% | 0.416 | 29% | 0.294 | S | S | . | . | trans | -58.3 | 139.1 | 173.7 | -25.1 | 34.5 | 0 | 0 | 0 | 112.9 | A111 V112 R113 | P109-A111 PolarHBondContact O-N 2.88Å; P109-V112 PolarHBondContact O-N 3.31Å; P109-R113 PolarHBondContact O-N 3.24Å | ||
| 110 | P | 96.4 | Very high | 97.3 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 63% | 0.63 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -51.1 | -37.8 | -176.7 | -29 | 34.6 | 0 | 0 | 0 | 115 | V112 R113 | P110-V112 PolarHBondContact O-N 3.39Å; P110-R113 PolarHBondContact O-N 3.26Å |
| 111 | A | 94.7 | Very high | 97.3 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 84% | 0.835 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63 | -24.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | P109 | P109-A111 PolarHBondContact O-N 2.88Å |
| 112 | V | 95.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 53.5 Ų | 53.5 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -102.4 | -20 | -175.6 | -178.3 | 0 | 0 | 0 | 0 | 112.2 | L32 W34 T108 P109 P110 G114 | L32-V112 HydrophobicContact CB-CG1 3.98Å; L32-V112 HydrophobicContact CD1-CG1 4.35Å; W34-V112 HydrophobicContact CD2-CG1 3.68Å; W34-V112 HydrophobicContact CE3-CG1 3.87Å; W34-V112 HydrophobicContact CE3-CG2 4.18Å; W34-V112 HydrophobicContact CG-CG1 4.08Å; W34-V112 HydrophobicContact CH2-CG1 4.38Å; W34-V112 HydrophobicContact CZ2-CG1 4.21Å; W34-V112 HydrophobicContact CZ3-CG1 4.21Å; W34-V112 HydrophobicContact CZ3-CG2 4.35Å; T108-V112 HydrophobicContact CG2-CB 4.09Å; T108-V112 HydrophobicContact CG2-CG1 4.29Å; P109-V112 PolarHBondContact O-N 3.31Å; P110-V112 PolarHBondContact O-N 3.39Å; V112-G114 PolarHBondContact O-N 2.94Å; V112-G114 VanDerWaalsContact O-N 3.15Å |
| 113 | R | 94.8 | Very high | 97.2 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 17% | 0.174 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.6 | -38.7 | -175.1 | -69.9 | 176.8 | -173.2 | 164.6 | -0.6 | 113 | Y105 T108 P109 P110 N115 L116 | Y105-R113 HydrophobicContact CD2-CG 4.45Å; Y105-R113 VanDerWaalsContact CZ-NH1 3.29Å; Y105-R113 VanDerWaalsContact O-CZ 3.25Å; Y105-R113 PolarHBondContact O-NE 2.87Å; Y105-R113 PolarHBondContact O-NH2 2.85Å; Y105-R113 PolarHBondContact OH-NH1 2.99Å; T108-R113 HydrophobicContact CG2-CG 3.78Å; T108-R113 VanDerWaalsContact O-CZ 3.3Å; T108-R113 PolarHBondContact O-NE 3.4Å; T108-R113 PolarHBondContact O-NH2 3.42Å; P109-R113 PolarHBondContact O-N 3.24Å; P110-R113 PolarHBondContact O-N 3.26Å; R113-N115 PolarHBondContact O-N 3.49Å; R113-L116 HydrophobicContact CB-CD2 4.49Å; R113-L116 WeakPolarHBondContact O-CA 3.17Å; R113-L116 PolarHBondContact O-N 3.22Å |
| 114 | G | 94.2 | Very high | 97.1 | Very high | 70 Ų | 70 | 57.4 Ų | 57.4 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | -130.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V112 L116 | V112-G114 PolarHBondContact O-N 2.94Å; V112-G114 VanDerWaalsContact O-N 3.15Å; G114-L116 VanDerWaalsContact C-N 3.35Å |
| 115 | N | 95.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 58.2 Ų | 58.2 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 23.8 | 173.3 | 66 | 2.6 | 0 | 0 | 0 | 113.1 | R113 A117 L118 | R113-N115 PolarHBondContact O-N 3.49Å; N115-A117 PolarHBondContact O-N 3.27Å; N115-A117 PolarHBondContact OD1-N 2.8Å; N115-A117 VanDerWaalsContact OD1-N 3.15Å; N115-L118 HydrophobicContact CB-CB 4.11Å; N115-L118 WeakPolarHBondContact O-CB 3.18Å; N115-L118 PolarHBondContact O-N 3.27Å; N115-L118 VanDerWaalsContact O-N 3.11Å; N115-L118 PolarHBondContact OD1-N 2.83Å |
| 116 | L | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37 | -173.7 | -68 | 177.6 | 0 | 0 | 0 | 113.7 | L28 Y105 R113 G114 L118 P191 L194 T195 | L28-L116 VanDerWaalsContact CD2-O 3.22Å; L28-L116 WeakPolarHBondContact CD2-O 3.38Å; L28-L116 VanDerWaalsContact CG-O 3.29Å; L28-L116 WeakPolarHBondContact CG-O 3.13Å; Y105-L116 HydrophobicContact CD2-CD1 3.92Å; Y105-L116 HydrophobicContact CD2-CD2 4.13Å; Y105-L116 HydrophobicContact CD2-CG 4.27Å; R113-L116 HydrophobicContact CB-CD2 4.49Å; R113-L116 WeakPolarHBondContact O-CA 3.17Å; R113-L116 PolarHBondContact O-N 3.22Å; G114-L116 VanDerWaalsContact C-N 3.35Å; L116-L118 PolarHBondContact O-N 3.31Å; L116-P191 HydrophobicContact CB-CB 4.05Å; L116-P191 WeakPolarHBondContact O-CB 3.47Å; L116-L194 HydrophobicContact CD1-CB 4.04Å; L116-L194 HydrophobicContact CD1-CD2 3.83Å; L116-T195 HydrophobicContact CB-CG2 4.49Å; L116-T195 HydrophobicContact CD1-CG2 4.47Å |
| 117 | A | 96.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 11% | 0.107 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 41.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L28 S31 L32 N115 N119 R187 | L28-A117 HydrophobicContact CB-CB 4.44Å; L28-A117 HydrophobicContact CG-CB 4.26Å; S31-A117 VanDerWaalsContact CB-CB 3.47Å; L32-A117 HydrophobicContact CD2-CB 4.35Å; N115-A117 PolarHBondContact O-N 3.27Å; N115-A117 PolarHBondContact OD1-N 2.8Å; N115-A117 VanDerWaalsContact OD1-N 3.15Å; A117-N119 PolarHBondContact O-N 2.92Å; A117-R187 PolarHBondContact O-NH1 3.15Å; A117-R187 PolarHBondContact O-NH2 2.8Å |
| 118 | L | 98.2 | Very high | 97.1 | Very high | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | trans | -50.8 | 132.7 | 168.4 | -178.7 | 67.8 | 0 | 0 | 0 | 109.7 | N115 L116 T120 P191 A192 N197 | N115-L118 HydrophobicContact CB-CB 4.11Å; N115-L118 WeakPolarHBondContact O-CB 3.18Å; N115-L118 PolarHBondContact O-N 3.27Å; N115-L118 VanDerWaalsContact O-N 3.11Å; N115-L118 PolarHBondContact OD1-N 2.83Å; L116-L118 PolarHBondContact O-N 3.31Å; L118-T120 HydrophobicContact CD2-CG2 4.32Å; L118-T120 HydrophobicContact CG-CG2 4.32Å; L118-T120 PolarHBondContact O-N 2.89Å; L118-P191 HydrophobicContact CB-CB 4.24Å; L118-P191 HydrophobicContact CD1-CB 4.15Å; L118-P191 HydrophobicContact CD1-CG 4.12Å; L118-A192 HydrophobicContact CD1-CB 3.77Å; L118-N197 HydrophobicContact CD2-CB 3.9Å | ||
| 119 | N | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | trans | -65.5 | 125.9 | 171.9 | -67.9 | 102.9 | 0 | 0 | 0 | 109.4 | A117 G180 A181 G182 R187 S188 Y204 | A117-N119 PolarHBondContact O-N 2.92Å; N119-G180 PolarHBondContact ND2-O 3.49Å; N119-A181 PolarHBondContact ND2-O 3.25Å; N119-G182 WeakPolarHBondContact ND2-CA 3.42Å; N119-G182 PolarHBondContact ND2-N 2.89Å; N119-R187 WeakPolarHBondContact OD1-CD 3.28Å; N119-R187 PolarHBondContact OD1-NH1 3.17Å; N119-S188 WeakPolarHBondContact OD1-CA 3.4Å; N119-S188 WeakPolarHBondContact OD1-CB 3.21Å; N119-S188 PolarHBondContact OD1-OG 3.27Å; N119-Y204 HydrophobicContact CB-CD1 3.9Å; N119-Y204 HydrophobicContact CB-CD2 4.11Å; N119-Y204 HydrophobicContact CB-CE1 3.41Å; N119-Y204 VanDerWaalsContact CB-CE1 3.41Å; N119-Y204 HydrophobicContact CB-CE2 3.68Å; N119-Y204 HydrophobicContact CB-CG 4.21Å; N119-Y204 WeakPolarHBondContact O-CE2 3.15Å; N119-Y204 PolarHBondContact O-OH 3.39Å | ||
| 120 | T | 97.8 | Very high | 97.2 | Very high | 77 Ų | 77 | 55 Ų | 55 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | trans | -134.1 | 141.4 | -178.7 | 54.2 | 0 | 0 | 0 | 0 | 110.3 | L118 T179 Y204 | L118-T120 HydrophobicContact CD2-CG2 4.32Å; L118-T120 HydrophobicContact CG-CG2 4.32Å; L118-T120 PolarHBondContact O-N 2.89Å; T120-T179 PolarHBondContact N-O 2.94Å; T120-T179 CarbonylContact O-C 3.2Å; T120-Y204 WeakPolarHBondContact CA-OH 3.25Å; T120-Y204 PolarHBondContact N-OH 3.32Å; T120-Y204 VanDerWaalsContact N-OH 3.08Å | ||
| 121 | L | 98.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 51 Ų | 51 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | trans | -70.9 | 143.9 | 175 | -55.9 | -170.1 | 0 | 0 | 0 | 111 | V127 A130 T179 N200 V203 Y204 | L121-V127 HydrophobicContact CD1-CG1 3.91Å; L121-A130 HydrophobicContact CD1-CB 3.81Å; L121-A130 HydrophobicContact CD2-CB 3.35Å; L121-A130 HydrophobicContact CG-CB 4.19Å; L121-T179 HydrophobicContact CD2-CG2 3.86Å; L121-N200 HydrophobicContact CD1-CB 3.91Å; L121-N200 HydrophobicContact CG-CB 4.14Å; L121-V203 HydrophobicContact CD2-CG1 4.45Å; L121-Y204 WeakPolarHBondContact CD2-OH 3.35Å; L121-Y204 PolarHBondContact N-OH 2.88Å | ||
| 122 | H | 97.8 | Very high | 97.5 | Very high | 102 Ų | 102 | 49.6 Ų | 49.6 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | trans | -64.4 | 138.1 | 167.6 | -177.1 | -89.4 | 0 | 0 | 0 | 110 | G124 V125 Y177 Y178 | H122-G124 PolarHBondContact ND1-N 3.44Å; H122-G124 VanDerWaalsContact ND1-N 3.16Å; H122-G124 PolarHBondContact O-N 2.88Å; H122-G124 VanDerWaalsContact O-N 3.08Å; H122-V125 HydrophobicContact CB-CB 4.23Å; H122-V125 HydrophobicContact CB-CG2 3.82Å; H122-V125 PolarHBondContact O-N 3.41Å; H122-Y177 VanDerWaalsContact CB-O 3.27Å; H122-Y177 WeakPolarHBondContact CB-O 3.25Å; H122-Y178 PolarHBondContact N-O 3.3Å | ||
| 123 | P | 96.8 | Very high | 97.7 | Very high | 132 Ų | 132 | 49.1 Ų | 49.1 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.3 | -174.6 | -28.1 | 35.3 | 0 | 0 | 0 | 115 | ||
| 124 | G | 97.9 | Very high | 97.9 | Very high | 61 Ų | 61 | 46.9 Ų | 46.9 | 63% | 0.629 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | H122 | H122-G124 PolarHBondContact ND1-N 3.44Å; H122-G124 VanDerWaalsContact ND1-N 3.16Å; H122-G124 PolarHBondContact O-N 2.88Å; H122-G124 VanDerWaalsContact O-N 3.08Å |
| 125 | V | 98.3 | Very high | 98.1 | Very high | 23 Ų | 23 | 45 Ų | 45 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -107.7 | 119.2 | -177.8 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | H122 Q129 A130 Y178 | H122-V125 HydrophobicContact CB-CB 4.23Å; H122-V125 HydrophobicContact CB-CG2 3.82Å; H122-V125 PolarHBondContact O-N 3.41Å; V125-Q129 HydrophobicContact CG1-CB 3.82Å; V125-A130 HydrophobicContact CG1-CB 3.97Å; V125-Y178 HydrophobicContact CG2-CD1 3.97Å |
| 126 | S | 98.5 | Very high | 98.3 | Very high | 54 Ų | 54 | 47.9 Ų | 47.9 | 38% | 0.378 | 29% | 0.288 | S | S | . | . | trans | -67.6 | 157.8 | 175.3 | 66.9 | 0 | 0 | 0 | 0 | 111.6 | A128 Q129 A130 | S126-A128 PolarHBondContact O-N 3.46Å; S126-Q129 PolarHBondContact O-N 2.96Å; S126-Q129 VanDerWaalsContact O-N 3.16Å; S126-Q129 WeakPolarHBondContact OG-CB 3.42Å; S126-Q129 VanDerWaalsContact OG-CD 3.3Å; S126-Q129 VanDerWaalsContact OG-CG 3.28Å; S126-Q129 WeakPolarHBondContact OG-CG 3.42Å; S126-Q129 PolarHBondContact OG-N 3.33Å; S126-Q129 PolarHBondContact OG-OE1 2.95Å; S126-A130 WeakPolarHBondContact O-CB 3.38Å; S126-A130 PolarHBondContact O-N 2.93Å | ||
| 127 | V | 98.5 | Very high | 98.3 | Very high | 59 Ų | 59 | 48 Ų | 48 | 36% | 0.358 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -33.1 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | L121 T131 W202 V203 | L121-V127 HydrophobicContact CD1-CG1 3.91Å; V127-T131 WeakPolarHBondContact O-CB 3.43Å; V127-T131 PolarHBondContact O-N 3.39Å; V127-T131 PolarHBondContact O-OG1 3.47Å; V127-W202 HydrophobicContact CB-CZ2 3.9Å; V127-W202 HydrophobicContact CG2-CZ2 4.1Å; V127-V203 HydrophobicContact CB-CG2 4.44Å |
| 128 | A | 98.5 | Very high | 98.4 | Very high | 61 Ų | 61 | 47.4 Ų | 47.4 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.7 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S126 A130 T131 T132 | S126-A128 PolarHBondContact O-N 3.46Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.84Å; A128-T131 PolarHBondContact O-N 3.1Å; A128-T132 PolarHBondContact O-N 2.83Å; A128-T132 PolarHBondContact O-OG1 3.14Å; A128-T132 VanDerWaalsContact O-OG1 3.09Å |
| 129 | Q | 98.7 | Very high | 98.5 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 175.2 | -72.4 | 164.5 | -46.3 | 0 | 0 | 111.4 | V125 S126 T131 T132 V133 | V125-Q129 HydrophobicContact CG1-CB 3.82Å; S126-Q129 PolarHBondContact O-N 2.96Å; S126-Q129 VanDerWaalsContact O-N 3.16Å; S126-Q129 WeakPolarHBondContact OG-CB 3.42Å; S126-Q129 VanDerWaalsContact OG-CD 3.3Å; S126-Q129 VanDerWaalsContact OG-CG 3.28Å; S126-Q129 WeakPolarHBondContact OG-CG 3.42Å; S126-Q129 PolarHBondContact OG-N 3.33Å; S126-Q129 PolarHBondContact OG-OE1 2.95Å; Q129-T131 PolarHBondContact O-N 3.33Å; Q129-T132 PolarHBondContact O-N 3.2Å; Q129-V133 WeakPolarHBondContact O-CG2 3.15Å; Q129-V133 PolarHBondContact O-N 3.22Å |
| 130 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L121 V125 S126 A128 V133 E134 T179 V203 | L121-A130 HydrophobicContact CD1-CB 3.81Å; L121-A130 HydrophobicContact CD2-CB 3.35Å; L121-A130 HydrophobicContact CG-CB 4.19Å; V125-A130 HydrophobicContact CG1-CB 3.97Å; S126-A130 WeakPolarHBondContact O-CB 3.38Å; S126-A130 PolarHBondContact O-N 2.93Å; A128-A130 VanDerWaalsContact C-N 3.34Å; A128-A130 PolarHBondContact O-N 2.84Å; A130-V133 PolarHBondContact O-N 3.41Å; A130-E134 PolarHBondContact O-N 3.12Å; A130-T179 HydrophobicContact CB-CG2 3.69Å; A130-V203 HydrophobicContact CB-CG1 4.03Å |
| 131 | T | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 110.7 | V127 A128 Q129 V133 E134 I135 W202 V206 | V127-T131 WeakPolarHBondContact O-CB 3.43Å; V127-T131 PolarHBondContact O-N 3.39Å; V127-T131 PolarHBondContact O-OG1 3.47Å; A128-T131 PolarHBondContact O-N 3.1Å; Q129-T131 PolarHBondContact O-N 3.33Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 PolarHBondContact O-N 3.45Å; T131-E134 PolarHBondContact O-N 3Å; T131-I135 HydrophobicContact CG2-CD1 4.24Å; T131-I135 VanDerWaalsContact O-CG1 3.27Å; T131-I135 WeakPolarHBondContact O-CG1 3.39Å; T131-I135 PolarHBondContact O-N 2.83Å; T131-W202 HydrophobicContact CG2-CZ3 4.34Å; T131-W202 WeakPolarHBondContact OG1-CH2 3.44Å; T131-V206 HydrophobicContact CG2-CG1 4.08Å |
| 132 | T | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | A128 Q129 I135 F136 | A128-T132 PolarHBondContact O-N 2.83Å; A128-T132 PolarHBondContact O-OG1 3.14Å; A128-T132 VanDerWaalsContact O-OG1 3.09Å; Q129-T132 PolarHBondContact O-N 3.2Å; T132-I135 WeakPolarHBondContact O-CB 3.44Å; T132-I135 PolarHBondContact O-N 3.47Å; T132-F136 HydrophobicContact CG2-CD2 3.95Å; T132-F136 HydrophobicContact CG2-CE2 3.95Å; T132-F136 WeakPolarHBondContact O-CD2 3.27Å; T132-F136 PolarHBondContact O-N 3.4Å; T132-F136 VanDerWaalsContact O-N 3.08Å |
| 133 | V | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 42.9 Ų | 42.9 | 10% | 0.097 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -52.5 | 175.2 | 168 | 0 | 0 | 0 | 0 | 110.5 | Q129 A130 T131 I135 F136 L137 F174 Y178 T179 | Q129-V133 WeakPolarHBondContact O-CG2 3.15Å; Q129-V133 PolarHBondContact O-N 3.22Å; A130-V133 PolarHBondContact O-N 3.41Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 PolarHBondContact O-N 3.45Å; V133-I135 VanDerWaalsContact C-N 3.26Å; V133-I135 PolarHBondContact O-N 3Å; V133-F136 PolarHBondContact O-N 3.31Å; V133-F136 VanDerWaalsContact O-N 3.08Å; V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 HydrophobicContact CG1-CG 4.02Å; V133-L137 VanDerWaalsContact O-CG 3.24Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.45Å; V133-F174 HydrophobicContact CG1-CD1 4.45Å; V133-F174 HydrophobicContact CG1-CE1 4.02Å; V133-F174 HydrophobicContact CG2-CE1 4.4Å; V133-Y178 HydrophobicContact CG1-CG 4.27Å; V133-Y178 HydrophobicContact CG2-CD1 3.89Å; V133-Y178 HydrophobicContact CG2-CE1 4.42Å; V133-Y178 HydrophobicContact CG2-CG 4.04Å; V133-T179 HydrophobicContact CB-CG2 4.41Å; V133-T179 HydrophobicContact CG1-CG2 4.27Å |
| 134 | E | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -33.8 | 178.6 | -74.3 | -64.8 | 151 | 0 | 0 | 113.5 | A130 T131 T138 T179 G182 M183 V203 Y204 P208 | A130-E134 PolarHBondContact O-N 3.12Å; T131-E134 PolarHBondContact O-N 3Å; E134-T138 WeakPolarHBondContact O-CB 3.46Å; E134-T138 PolarHBondContact O-N 3.3Å; E134-T138 PolarHBondContact O-OG1 3.33Å; E134-T179 HydrophobicContact CG-CG2 4.2Å; E134-T179 WeakPolarHBondContact OE1-CB 3.38Å; E134-T179 PolarHBondContact OE1-OG1 3.23Å; E134-G182 PolarHBondContact OE1-N 3.21Å; E134-M183 PolarHBondContact OE2-N 3.07Å; E134-V203 HydrophobicContact CG-CG1 4.16Å; E134-Y204 HydrophobicContact CG-CD1 4.34Å; E134-P208 HydrophobicContact CB-CG 4.43Å |
| 135 | I | 98.9 | Very high | 98.7 | Very high | 29 Ų | 29 | 35.3 Ų | 35.3 | 15% | 0.149 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.8 | -54.5 | 171.6 | -70.8 | 167.9 | 0 | 0 | 0 | 110 | T131 T132 V133 L137 T138 L139 G207 I210 G211 L214 | T131-I135 HydrophobicContact CG2-CD1 4.24Å; T131-I135 VanDerWaalsContact O-CG1 3.27Å; T131-I135 WeakPolarHBondContact O-CG1 3.39Å; T131-I135 PolarHBondContact O-N 2.83Å; T132-I135 WeakPolarHBondContact O-CB 3.44Å; T132-I135 PolarHBondContact O-N 3.47Å; V133-I135 VanDerWaalsContact C-N 3.26Å; V133-I135 PolarHBondContact O-N 3Å; I135-L137 PolarHBondContact O-N 3.35Å; I135-T138 PolarHBondContact O-N 2.83Å; I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 3.05Å; I135-G207 WeakPolarHBondContact CA-O 3.4Å; I135-G207 WeakPolarHBondContact CG1-O 3.35Å; I135-I210 HydrophobicContact CD1-CB 4.27Å; I135-I210 HydrophobicContact CD1-CD1 4.5Å; I135-I210 HydrophobicContact CD1-CG2 3.86Å; I135-I210 HydrophobicContact CG1-CB 4.08Å; I135-I210 HydrophobicContact CG1-CG2 3.97Å; I135-I210 HydrophobicContact CG2-CG2 4.36Å; I135-G211 WeakPolarHBondContact O-CA 3.44Å; I135-L214 HydrophobicContact CG2-CD1 4.09Å |
| 136 | F | 98.9 | Very high | 98.7 | Very high | 133 Ų | 133 | 34.4 Ų | 34.4 | 58% | 0.583 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -66.6 | -39.2 | -176.5 | -86.2 | -85.8 | 0 | 0 | 0 | 112.8 | T132 V133 T138 L139 Q140 | T132-F136 HydrophobicContact CG2-CD2 3.95Å; T132-F136 HydrophobicContact CG2-CE2 3.95Å; T132-F136 WeakPolarHBondContact O-CD2 3.27Å; T132-F136 PolarHBondContact O-N 3.4Å; T132-F136 VanDerWaalsContact O-N 3.08Å; V133-F136 PolarHBondContact O-N 3.31Å; V133-F136 VanDerWaalsContact O-N 3.08Å; F136-T138 VanDerWaalsContact C-N 3.32Å; F136-T138 PolarHBondContact O-N 3.1Å; F136-L139 PolarHBondContact O-N 2.94Å; F136-Q140 WeakPolarHBondContact O-CG 3.47Å; F136-Q140 PolarHBondContact O-N 2.97Å; F136-Q140 VanDerWaalsContact O-N 3.1Å |
| 137 | L | 98.9 | Very high | 98.6 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 4% | 0.037 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.3 | -47.5 | 174.4 | -68.7 | -179.2 | 0 | 0 | 0 | 111.2 | V133 I135 Q140 F141 G171 F174 A181 M183 | V133-L137 HydrophobicContact CG1-CD1 3.79Å; V133-L137 HydrophobicContact CG1-CG 4.02Å; V133-L137 VanDerWaalsContact O-CG 3.24Å; V133-L137 WeakPolarHBondContact O-CG 3.47Å; V133-L137 PolarHBondContact O-N 3.45Å; I135-L137 PolarHBondContact O-N 3.35Å; L137-Q140 WeakPolarHBondContact O-CG 3.41Å; L137-Q140 PolarHBondContact O-NE2 3.12Å; L137-Q140 VanDerWaalsContact O-NE2 3.11Å; L137-F141 WeakPolarHBondContact O-CB 3.44Å; L137-F141 PolarHBondContact O-N 2.87Å; L137-G171 VanDerWaalsContact CD2-O 3.24Å; L137-G171 WeakPolarHBondContact CD2-O 3.48Å; L137-F174 HydrophobicContact CD2-CD1 3.81Å; L137-A181 HydrophobicContact CD1-CB 4.44Å; L137-M183 HydrophobicContact CB-CE 4.32Å; L137-M183 HydrophobicContact CB-CG 3.68Å; L137-M183 HydrophobicContact CB-SD 4.02Å; L137-M183 HydrophobicContact CD1-CG 4.06Å; L137-M183 HydrophobicContact CD1-SD 4.39Å; L137-M183 HydrophobicContact CG-CG 4.47Å; L137-M183 WeakPolarHBondContact O-CE 3.49Å |
| 138 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -77.9 | -31.3 | -177 | -47 | 0 | 0 | 0 | 0 | 112 | A70 E134 I135 F136 F141 V142 P208 | A70-T138 HydrophobicContact CB-CG2 4.04Å; E134-T138 WeakPolarHBondContact O-CB 3.46Å; E134-T138 PolarHBondContact O-N 3.3Å; E134-T138 PolarHBondContact O-OG1 3.33Å; I135-T138 PolarHBondContact O-N 2.83Å; F136-T138 VanDerWaalsContact C-N 3.32Å; F136-T138 PolarHBondContact O-N 3.1Å; T138-F141 PolarHBondContact O-N 3.31Å; T138-V142 HydrophobicContact CG2-CG2 4.15Å; T138-V142 WeakPolarHBondContact O-CB 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.4Å; T138-P208 HydrophobicContact CG2-CB 4.02Å; T138-P208 VanDerWaalsContact CG2-O 3.3Å; T138-P208 WeakPolarHBondContact CG2-O 3.33Å; T138-P208 WeakPolarHBondContact OG1-CA 3.39Å; T138-P208 WeakPolarHBondContact OG1-CB 3.22Å |
| 139 | L | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 17% | 0.168 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.6 | -54.1 | 175.2 | -176.4 | 163 | 0 | 0 | 0 | 111.2 | I135 F136 F141 V142 L143 G211 L214 L218 | I135-L139 WeakPolarHBondContact O-CB 3.42Å; I135-L139 PolarHBondContact O-N 3.05Å; F136-L139 PolarHBondContact O-N 2.94Å; L139-F141 PolarHBondContact O-N 2.64Å; L139-V142 PolarHBondContact O-N 3.04Å; L139-L143 WeakPolarHBondContact O-CB 3.16Å; L139-L143 PolarHBondContact O-N 3Å; L139-G211 WeakPolarHBondContact CA-O 3.49Å; L139-L214 HydrophobicContact CD1-CB 4.05Å; L139-L218 HydrophobicContact CD2-CD2 4.23Å |
| 140 | Q | 98.8 | Very high | 98.1 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 23% | 0.234 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.7 | -29.4 | 178.7 | 64.3 | 86.9 | 80.7 | 0 | 0 | 112 | F136 L137 C144 S167 | F136-Q140 WeakPolarHBondContact O-CG 3.47Å; F136-Q140 PolarHBondContact O-N 2.97Å; F136-Q140 VanDerWaalsContact O-N 3.1Å; L137-Q140 WeakPolarHBondContact O-CG 3.41Å; L137-Q140 PolarHBondContact O-NE2 3.12Å; L137-Q140 VanDerWaalsContact O-NE2 3.11Å; Q140-C144 WeakPolarHBondContact O-CB 3.44Å; Q140-C144 PolarHBondContact O-N 2.87Å; Q140-S167 PolarHBondContact NE2-O 2.98Å; Q140-S167 PolarHBondContact NE2-OG 2.92Å; Q140-S167 VanDerWaalsContact NE2-OG 3.1Å |
| 141 | F | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.4 | -50.6 | -177.9 | 175.5 | -126.8 | 0 | 0 | 0 | 110.9 | L52 V71 L137 T138 L139 L143 C144 I145 V164 S167 L168 M183 | L52-F141 HydrophobicContact CD2-CE2 3.49Å; L52-F141 VanDerWaalsContact CD2-CE2 3.49Å; L52-F141 HydrophobicContact CD2-CZ 3.42Å; L52-F141 VanDerWaalsContact CD2-CZ 3.42Å; V71-F141 HydrophobicContact CG2-CD1 4.15Å; V71-F141 HydrophobicContact CG2-CE1 3.52Å; V71-F141 HydrophobicContact CG2-CZ 4.32Å; L137-F141 WeakPolarHBondContact O-CB 3.44Å; L137-F141 PolarHBondContact O-N 2.87Å; T138-F141 PolarHBondContact O-N 3.31Å; L139-F141 PolarHBondContact O-N 2.64Å; F141-L143 VanDerWaalsContact C-N 3.33Å; F141-L143 PolarHBondContact O-N 3.49Å; F141-C144 WeakPolarHBondContact O-CB 3.43Å; F141-C144 PolarHBondContact O-N 2.93Å; F141-I145 HydrophobicContact CD1-CD1 4.11Å; F141-I145 HydrophobicContact CD2-CD1 4.15Å; F141-I145 HydrophobicContact CE1-CD1 3.7Å; F141-I145 HydrophobicContact CE2-CD1 3.75Å; F141-I145 HydrophobicContact CE2-CG1 4.27Å; F141-I145 HydrophobicContact CG-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CD1 3.51Å; F141-I145 HydrophobicContact CZ-CG1 4.47Å; F141-I145 WeakPolarHBondContact O-CG1 3.45Å; F141-I145 PolarHBondContact O-N 3.29Å; F141-V164 HydrophobicContact CE2-CG1 3.88Å; F141-V164 HydrophobicContact CZ-CG1 4.41Å; F141-S167 WeakPolarHBondContact CA-OG 3.48Å; F141-L168 HydrophobicContact CD2-CB 4.35Å; F141-L168 HydrophobicContact CE2-CB 4Å; F141-M183 HydrophobicContact CB-CE 3.74Å; F141-M183 HydrophobicContact CD1-CE 4.35Å; F141-M183 HydrophobicContact CD2-CE 4.49Å; F141-M183 HydrophobicContact CG-CE 3.97Å |
| 142 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.9 | -37.5 | 176 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | V71 A74 T138 L139 C144 I145 F146 G212 | V71-V142 HydrophobicContact CG2-CG2 4.22Å; A74-V142 HydrophobicContact CB-CG1 3.52Å; A74-V142 HydrophobicContact CB-CG2 4.18Å; T138-V142 HydrophobicContact CG2-CG2 4.15Å; T138-V142 WeakPolarHBondContact O-CB 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.43Å; T138-V142 PolarHBondContact O-N 3.4Å; L139-V142 PolarHBondContact O-N 3.04Å; V142-C144 VanDerWaalsContact C-N 3.31Å; V142-C144 PolarHBondContact O-N 2.97Å; V142-I145 PolarHBondContact O-N 3.35Å; V142-F146 HydrophobicContact CG1-CD2 3.64Å; V142-F146 HydrophobicContact CG1-CE2 3.7Å; V142-F146 WeakPolarHBondContact O-CB 3.34Å; V142-F146 WeakPolarHBondContact O-CD2 3.37Å; V142-F146 PolarHBondContact O-N 3.46Å; V142-G212 WeakPolarHBondContact CG1-O 3.28Å |
| 143 | L | 98.6 | Very high | 96.6 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 173.7 | 179.4 | 62.1 | 0 | 0 | 0 | 111.4 | L139 F141 A147 L218 Y219 L223 | L139-L143 WeakPolarHBondContact O-CB 3.16Å; L139-L143 PolarHBondContact O-N 3Å; F141-L143 VanDerWaalsContact C-N 3.33Å; F141-L143 PolarHBondContact O-N 3.49Å; L143-A147 WeakPolarHBondContact O-CB 3.43Å; L143-A147 PolarHBondContact O-N 2.79Å; L143-L218 HydrophobicContact CD2-CD2 4.26Å; L143-Y219 HydrophobicContact CD1-CD2 3.76Å; L143-Y219 HydrophobicContact CD1-CG 4.33Å; L143-L223 HydrophobicContact CD1-CD1 3.65Å; L143-L223 HydrophobicContact CD2-CD1 4.31Å |
| 144 | C | 98.6 | Very high | 95 | Very high | 30 Ų | 30 | 46.8 Ų | 46.8 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.5 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | Q140 F141 V142 A147 T148 S167 | Q140-C144 WeakPolarHBondContact O-CB 3.44Å; Q140-C144 PolarHBondContact O-N 2.87Å; F141-C144 WeakPolarHBondContact O-CB 3.43Å; F141-C144 PolarHBondContact O-N 2.93Å; V142-C144 VanDerWaalsContact C-N 3.31Å; V142-C144 PolarHBondContact O-N 2.97Å; C144-A147 PolarHBondContact O-N 3.41Å; C144-T148 WeakPolarHBondContact O-CB 3.49Å; C144-T148 VanDerWaalsContact O-CG2 3.27Å; C144-T148 WeakPolarHBondContact O-CG2 3.43Å; C144-T148 PolarHBondContact O-N 2.85Å; C144-T148 PolarHBondContact O-OG1 3.4Å; C144-S167 WeakPolarHBondContact CB-OG 3.47Å |
| 145 | I | 98.3 | Very high | 93.6 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.6 | -53.9 | 176.8 | -68.9 | 164 | 0 | 0 | 0 | 110.5 | V71 F75 F141 V142 A147 T148 Y149 V164 | V71-I145 HydrophobicContact CG1-CD1 3.95Å; V71-I145 HydrophobicContact CG2-CD1 3.69Å; F75-I145 HydrophobicContact CE2-CG2 3.7Å; F75-I145 HydrophobicContact CZ-CG2 3.71Å; F141-I145 HydrophobicContact CD1-CD1 4.11Å; F141-I145 HydrophobicContact CD2-CD1 4.15Å; F141-I145 HydrophobicContact CE1-CD1 3.7Å; F141-I145 HydrophobicContact CE2-CD1 3.75Å; F141-I145 HydrophobicContact CE2-CG1 4.27Å; F141-I145 HydrophobicContact CG-CD1 4.31Å; F141-I145 HydrophobicContact CZ-CD1 3.51Å; F141-I145 HydrophobicContact CZ-CG1 4.47Å; F141-I145 WeakPolarHBondContact O-CG1 3.45Å; F141-I145 PolarHBondContact O-N 3.29Å; V142-I145 PolarHBondContact O-N 3.35Å; I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 PolarHBondContact O-N 3.26Å; I145-T148 PolarHBondContact O-N 3.43Å; I145-T148 VanDerWaalsContact O-N 3.14Å; I145-T148 PolarHBondContact O-OG1 2.7Å; I145-T148 VanDerWaalsContact O-OG1 3.1Å; I145-Y149 HydrophobicContact CG2-CD1 4.02Å; I145-Y149 HydrophobicContact CG2-CD2 4.22Å; I145-Y149 HydrophobicContact CG2-CE1 4.16Å; I145-Y149 HydrophobicContact CG2-CE2 4.33Å; I145-Y149 HydrophobicContact CG2-CG 4.07Å; I145-Y149 VanDerWaalsContact O-CB 3.25Å; I145-Y149 WeakPolarHBondContact O-CB 3.39Å; I145-Y149 VanDerWaalsContact O-CD1 3.28Å; I145-Y149 WeakPolarHBondContact O-CD1 3.4Å; I145-Y149 PolarHBondContact O-N 3.12Å; I145-V164 HydrophobicContact CD1-CG1 4.33Å; I145-V164 HydrophobicContact CG1-CB 4.5Å; I145-V164 HydrophobicContact CG1-CG1 3.84Å; I145-V164 HydrophobicContact CG1-CG2 3.86Å |
| 146 | F | 97.7 | Very high | 92.3 | Very high | 4 Ų | 4 | 58.2 Ų | 58.2 | 2% | 0.018 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.7 | -44.4 | -179.2 | -88.3 | -120.3 | 0 | 0 | 0 | 111.5 | A74 F75 V142 T148 D150 S216 Y219 D220 | A74-F146 HydrophobicContact CB-CE2 3.89Å; A74-F146 HydrophobicContact CB-CZ 4.21Å; A74-F146 WeakPolarHBondContact O-CZ 3.27Å; F75-F146 HydrophobicContact CD1-CE2 4.47Å; F75-F146 HydrophobicContact CD1-CZ 4.43Å; F75-F146 HydrophobicContact CD2-CE2 4.18Å; F75-F146 HydrophobicContact CE1-CE2 4.45Å; F75-F146 HydrophobicContact CE2-CE2 4.17Å; F75-F146 HydrophobicContact CG-CE2 4.33Å; F75-F146 HydrophobicContact CG-CZ 4.42Å; F75-F146 HydrophobicContact CZ-CE2 4.3Å; V142-F146 HydrophobicContact CG1-CD2 3.64Å; V142-F146 HydrophobicContact CG1-CE2 3.7Å; V142-F146 WeakPolarHBondContact O-CB 3.34Å; V142-F146 WeakPolarHBondContact O-CD2 3.37Å; V142-F146 PolarHBondContact O-N 3.46Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 3.19Å; F146-D150 WeakPolarHBondContact O-CB 3.28Å; F146-D150 PolarHBondContact O-N 2.7Å; F146-D150 VanDerWaalsContact O-N 3.12Å; F146-S216 WeakPolarHBondContact CE1-OG 3.16Å; F146-S216 WeakPolarHBondContact CZ-OG 3.31Å; F146-Y219 HydrophobicContact CB-CD1 3.75Å; F146-Y219 HydrophobicContact CB-CD2 4.41Å; F146-Y219 HydrophobicContact CB-CE1 4.29Å; F146-Y219 HydrophobicContact CB-CG 3.8Å; F146-Y219 HydrophobicContact CD1-CD1 4.01Å; F146-Y219 HydrophobicContact CD1-CG 4.44Å; F146-Y219 HydrophobicContact CG-CD1 4.4Å; F146-D220 WeakPolarHBondContact CE1-OD2 3.37Å |
| 147 | A | 96.5 | Very high | 91.4 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.2 | -20.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L143 C144 I145 R153 Y219 | L143-A147 WeakPolarHBondContact O-CB 3.43Å; L143-A147 PolarHBondContact O-N 2.79Å; C144-A147 PolarHBondContact O-N 3.41Å; I145-A147 VanDerWaalsContact C-N 3.32Å; I145-A147 PolarHBondContact O-N 3.26Å; A147-R153 WeakPolarHBondContact O-CD 3.31Å; A147-R153 PolarHBondContact O-NH1 2.81Å; A147-Y219 HydrophobicContact CB-CD2 4.17Å; A147-Y219 HydrophobicContact CB-CE2 3.56Å |
| 148 | T | 96.1 | Very high | 91 | Very high | 14 Ų | 14 | 57.7 Ų | 57.7 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -100.4 | -24.3 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 112.7 | C144 I145 F146 L157 V160 A163 | C144-T148 WeakPolarHBondContact O-CB 3.49Å; C144-T148 VanDerWaalsContact O-CG2 3.27Å; C144-T148 WeakPolarHBondContact O-CG2 3.43Å; C144-T148 PolarHBondContact O-N 2.85Å; C144-T148 PolarHBondContact O-OG1 3.4Å; I145-T148 PolarHBondContact O-N 3.43Å; I145-T148 VanDerWaalsContact O-N 3.14Å; I145-T148 PolarHBondContact O-OG1 2.7Å; I145-T148 VanDerWaalsContact O-OG1 3.1Å; F146-T148 VanDerWaalsContact C-N 3.28Å; F146-T148 PolarHBondContact O-N 3.19Å; T148-L157 HydrophobicContact CG2-CD2 4.4Å; T148-V160 WeakPolarHBondContact O-CG2 3.29Å; T148-A163 HydrophobicContact CG2-CB 4.07Å |
| 149 | Y | 95.6 | Very high | 90.8 | Very high | 61 Ų | 61 | 59.7 Ų | 59.7 | 24% | 0.239 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -88.3 | -11.4 | 176.6 | -78.3 | 40.4 | 0 | 0 | 0 | 112 | V56 G64 F75 I145 E151 V160 V164 | V56-Y149 WeakPolarHBondContact CG1-OH 3.49Å; G64-Y149 VanDerWaalsContact O-CE2 3.3Å; G64-Y149 WeakPolarHBondContact O-CE2 3.49Å; G64-Y149 PolarHBondContact O-OH 2.73Å; G64-Y149 VanDerWaalsContact O-OH 3.07Å; F75-Y149 HydrophobicContact CE1-CD2 4.4Å; F75-Y149 AromaticContact CZ-CD2 3.75Å; F75-Y149 HydrophobicContact CZ-CD2 3.75Å; F75-Y149 HydrophobicContact CZ-CE2 4.3Å; F75-Y149 HydrophobicContact CZ-CG 4.39Å; I145-Y149 HydrophobicContact CG2-CD1 4.02Å; I145-Y149 HydrophobicContact CG2-CD2 4.22Å; I145-Y149 HydrophobicContact CG2-CE1 4.16Å; I145-Y149 HydrophobicContact CG2-CE2 4.33Å; I145-Y149 HydrophobicContact CG2-CG 4.07Å; I145-Y149 VanDerWaalsContact O-CB 3.25Å; I145-Y149 WeakPolarHBondContact O-CB 3.39Å; I145-Y149 VanDerWaalsContact O-CD1 3.28Å; I145-Y149 WeakPolarHBondContact O-CD1 3.4Å; I145-Y149 PolarHBondContact O-N 3.12Å; Y149-E151 PolarHBondContact O-N 3.02Å; Y149-E151 VanDerWaalsContact O-N 3.13Å; Y149-V160 HydrophobicContact CD1-CG1 3.66Å; Y149-V160 HydrophobicContact CE1-CG1 3.47Å; Y149-V160 VanDerWaalsContact CE1-CG1 3.47Å; Y149-V164 HydrophobicContact CE1-CG2 3.99Å |
| 150 | D | 94.3 | Very high | 90.6 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | trans | -74.3 | 104.7 | 179.2 | -161.6 | -8.9 | 0 | 0 | 0 | 112.3 | F146 R152 R153 Y219 F224 R226 | F146-D150 WeakPolarHBondContact O-CB 3.28Å; F146-D150 PolarHBondContact O-N 2.7Å; F146-D150 VanDerWaalsContact O-N 3.12Å; D150-R152 PolarHBondContact O-N 3.44Å; D150-R152 VanDerWaalsContact O-N 3.12Å; D150-R152 VanDerWaalsContact OD1-CB 3.26Å; D150-R152 WeakPolarHBondContact OD1-CB 3.47Å; D150-R152 VanDerWaalsContact OD1-CG 3.27Å; D150-R152 WeakPolarHBondContact OD1-CG 3.46Å; D150-R152 IonicContact OD1-CZ 3.38Å; D150-R152 PolarHBondContact OD1-N 2.81Å; D150-R152 VanDerWaalsContact OD1-N 3.09Å; D150-R152 IonicContact OD1-NE 3.91Å; D150-R152 PolarHBondContact OD1-NE 2.79Å; D150-R152 IonicContact OD2-CZ 3.93Å; D150-R152 IonicContact OD2-NE 3.15Å; D150-R152 PolarHBondContact OD2-NE 3.03Å; D150-R152 IonicContact OD2-NH2 2.88Å; D150-R152 PolarHBondContact OD2-NH2 3.43Å; D150-R153 VanDerWaalsContact O-CB 3.27Å; D150-R153 WeakPolarHBondContact O-CB 3Å; D150-R153 PolarHBondContact O-N 2.86Å; D150-Y219 HydrophobicContact CB-CE1 4.08Å; D150-Y219 WeakPolarHBondContact CB-OH 3.41Å; D150-Y219 WeakPolarHBondContact OD2-CE1 3.42Å; D150-Y219 PolarHBondContact OD2-OH 3.48Å; D150-F224 VanDerWaalsContact OD2-CD1 3.31Å; D150-F224 WeakPolarHBondContact OD2-CD1 3.45Å; D150-R226 VanDerWaalsContact CG-NH2 3.27Å; D150-R226 IonicContact OD1-CZ 3.94Å; D150-R226 IonicContact OD1-NH2 3.87Å; D150-R226 PolarHBondContact OD1-NH2 3.47Å; D150-R226 IonicContact OD2-NH2 3.6Å; D150-R226 PolarHBondContact OD2-NH2 3.09Å | ||
| 151 | E | 90.1 | Very high | 90.6 | Very high | 188 Ų | 188 | 57.7 Ų | 57.7 | 88% | 0.879 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -22 | 176.1 | -60 | 176.6 | 168.6 | 0 | 0 | 113.6 | Y149 R153 | Y149-E151 PolarHBondContact O-N 3.02Å; Y149-E151 VanDerWaalsContact O-N 3.13Å; E151-R153 PolarHBondContact O-N 3.49Å |
| 152 | R | 89.9 | Confident | 90.6 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -15.8 | 177.1 | -61.1 | 178.5 | -64.7 | 165.7 | 0.8 | 112.6 | D150 N154 F224 P225 | D150-R152 PolarHBondContact O-N 3.44Å; D150-R152 VanDerWaalsContact O-N 3.12Å; D150-R152 VanDerWaalsContact OD1-CB 3.26Å; D150-R152 WeakPolarHBondContact OD1-CB 3.47Å; D150-R152 VanDerWaalsContact OD1-CG 3.27Å; D150-R152 WeakPolarHBondContact OD1-CG 3.46Å; D150-R152 IonicContact OD1-CZ 3.38Å; D150-R152 PolarHBondContact OD1-N 2.81Å; D150-R152 VanDerWaalsContact OD1-N 3.09Å; D150-R152 IonicContact OD1-NE 3.91Å; D150-R152 PolarHBondContact OD1-NE 2.79Å; D150-R152 IonicContact OD2-CZ 3.93Å; D150-R152 IonicContact OD2-NE 3.15Å; D150-R152 PolarHBondContact OD2-NE 3.03Å; D150-R152 IonicContact OD2-NH2 2.88Å; D150-R152 PolarHBondContact OD2-NH2 3.43Å; R152-N154 PolarHBondContact O-N 3.06Å; R152-F224 HydrophobicContact CB-CE1 3.63Å; R152-F224 HydrophobicContact CB-CZ 4.26Å; R152-F224 VanDerWaalsContact NH2-CD1 3.32Å; R152-F224 PolarHBondContact NH2-O 2.87Å; R152-P225 PolarHBondContact NH1-O 3.27Å |
| 153 | R | 83.6 | Confident | 90.5 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | trans | -77.3 | 102.7 | 178.6 | -177.4 | 176.8 | 173.3 | 164.1 | 2.9 | 109.5 | A147 D150 E151 G155 | A147-R153 WeakPolarHBondContact O-CD 3.31Å; A147-R153 PolarHBondContact O-NH1 2.81Å; D150-R153 VanDerWaalsContact O-CB 3.27Å; D150-R153 WeakPolarHBondContact O-CB 3Å; D150-R153 PolarHBondContact O-N 2.86Å; E151-R153 PolarHBondContact O-N 3.49Å; R153-G155 PolarHBondContact O-N 3.23Å | ||
| 154 | N | 66 | Low | 90.5 | Very high | 157 Ų | 157 | 60.9 Ų | 60.9 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | trans | -73.4 | 122.3 | 172.2 | -59.7 | -17.2 | 0 | 0 | 0 | 109.8 | R152 | R152-N154 PolarHBondContact O-N 3.06Š| ||
| 155 | G | 69.4 | Low | 90.5 | Very high | 63 Ų | 63 | 59.5 Ų | 59.5 | 65% | 0.649 | 33% | 0.33 | S | S | * | . | S | Bend | trans | 154.1 | -177.3 | 172 | 0 | 0 | 0 | 0 | 0 | 116.3 | R153 L157 | R153-G155 PolarHBondContact O-N 3.23Å; G155-L157 PolarHBondContact O-N 3.44Å |
| 156 | Q | 71.3 | Confident | 90.5 | Very high | 205 Ų | 205 | 64.3 Ų | 64.3 | 96% | 0.958 | 35% | 0.351 | S | S | * | . | trans | -86.7 | 92.1 | 178 | -66.4 | 175.9 | -12.3 | 0 | 0 | 110.5 | G158 | Q156-G158 VanDerWaalsContact C-N 3.31Š| ||
| 157 | L | 79.7 | Confident | 90.6 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 30% | 0.304 | 35% | 0.354 | S | S | . | . | trans | -75.8 | -18.1 | 177.7 | -78.9 | 161 | 0 | 0 | 0 | 113.6 | T148 G155 V160 | T148-L157 HydrophobicContact CG2-CD2 4.4Å; G155-L157 PolarHBondContact O-N 3.44Å; L157-V160 HydrophobicContact CB-CG2 4.3Å; L157-V160 HydrophobicContact CD1-CG2 4.22Å | ||
| 158 | G | 90.5 | Very high | 90.7 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 73% | 0.732 | 35% | 0.347 | S | S | * | . | trans | 60.8 | -137 | -164 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q156 | Q156-G158 VanDerWaalsContact C-N 3.31Š| ||
| 159 | S | 95.2 | Very high | 90.8 | Very high | 43 Ų | 43 | 63.3 Ų | 63.3 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | trans | -89.5 | 108.3 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | A161 L162 A163 | S159-A161 PolarHBondContact O-N 2.85Å; S159-L162 PolarHBondContact O-N 3.24Å; S159-L162 PolarHBondContact OG-N 3.26Å; S159-A163 PolarHBondContact O-N 3.1Å; S159-A163 VanDerWaalsContact O-N 3.08Å | ||
| 160 | V | 95.7 | Very high | 91 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.1 | -41 | 171.3 | 168.1 | 0 | 0 | 0 | 0 | 110.9 | T148 Y149 L157 L162 A163 V164 | T148-V160 WeakPolarHBondContact O-CG2 3.29Å; Y149-V160 HydrophobicContact CD1-CG1 3.66Å; Y149-V160 HydrophobicContact CE1-CG1 3.47Å; Y149-V160 VanDerWaalsContact CE1-CG1 3.47Å; L157-V160 HydrophobicContact CB-CG2 4.3Å; L157-V160 HydrophobicContact CD1-CG2 4.22Å; V160-L162 PolarHBondContact O-N 2.84Å; V160-A163 PolarHBondContact O-N 3.45Å; V160-V164 HydrophobicContact CG1-CG2 4.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.32Å; V160-V164 PolarHBondContact O-N 2.97Å |
| 161 | A | 97.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.008 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A53 V56 Q57 S159 G165 | A53-A161 VanDerWaalsContact CA-O 3.32Å; A53-A161 WeakPolarHBondContact CA-O 3.18Å; A53-A161 VanDerWaalsContact CB-O 3.29Å; A53-A161 WeakPolarHBondContact CB-O 3.39Å; A53-A161 WeakPolarHBondContact O-CB 3.44Å; V56-A161 HydrophobicContact CB-CB 3.88Å; V56-A161 HydrophobicContact CG1-CB 3.7Å; Q57-A161 HydrophobicContact CB-CB 4.32Å; Q57-A161 HydrophobicContact CG-CB 3.54Å; S159-A161 PolarHBondContact O-N 2.85Å; A161-G165 PolarHBondContact O-N 2.89Å |
| 162 | L | 98.3 | Very high | 91.6 | Very high | 78 Ų | 78 | 56 Ų | 56 | 41% | 0.408 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175 | -73.8 | 176.9 | 0 | 0 | 0 | 111.9 | A53 S159 V160 V164 G165 F166 | A53-L162 HydrophobicContact CB-CD2 4.11Å; S159-L162 PolarHBondContact O-N 3.24Å; S159-L162 PolarHBondContact OG-N 3.26Å; V160-L162 PolarHBondContact O-N 2.84Å; L162-V164 PolarHBondContact O-N 3.37Å; L162-G165 PolarHBondContact O-N 2.9Å; L162-F166 HydrophobicContact CB-CD2 4.33Å; L162-F166 HydrophobicContact CB-CE2 4.22Å; L162-F166 HydrophobicContact CD2-CE2 4.36Å; L162-F166 WeakPolarHBondContact O-CB 3.32Å; L162-F166 VanDerWaalsContact O-CD2 3.23Å; L162-F166 WeakPolarHBondContact O-CD2 3.49Å; L162-F166 WeakPolarHBondContact O-CG 3.3Å; L162-F166 PolarHBondContact O-N 3.04Å |
| 163 | A | 98.2 | Very high | 92 | Very high | 35 Ų | 35 | 55.7 Ų | 55.7 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.6 | -47 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T148 S159 V160 F166 S167 | T148-A163 HydrophobicContact CG2-CB 4.07Å; S159-A163 PolarHBondContact O-N 3.1Å; S159-A163 VanDerWaalsContact O-N 3.08Å; V160-A163 PolarHBondContact O-N 3.45Å; A163-F166 PolarHBondContact O-N 2.93Å; A163-S167 WeakPolarHBondContact O-CB 3.34Å; A163-S167 PolarHBondContact O-N 2.67Å |
| 164 | V | 98.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.1 | 170.7 | 0 | 0 | 0 | 0 | 111.5 | L52 V56 F141 I145 Y149 V160 L162 S167 L168 | L52-V164 HydrophobicContact CD2-CG1 3.64Å; L52-V164 HydrophobicContact CG-CG1 4.13Å; V56-V164 HydrophobicContact CG2-CG1 4.22Å; F141-V164 HydrophobicContact CE2-CG1 3.88Å; F141-V164 HydrophobicContact CZ-CG1 4.41Å; I145-V164 HydrophobicContact CD1-CG1 4.33Å; I145-V164 HydrophobicContact CG1-CB 4.5Å; I145-V164 HydrophobicContact CG1-CG1 3.84Å; I145-V164 HydrophobicContact CG1-CG2 3.86Å; Y149-V164 HydrophobicContact CE1-CG2 3.99Å; V160-V164 HydrophobicContact CG1-CG2 4.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.32Å; V160-V164 PolarHBondContact O-N 2.97Å; L162-V164 PolarHBondContact O-N 3.37Å; V164-S167 WeakPolarHBondContact O-CB 3.14Å; V164-S167 PolarHBondContact O-N 3.01Å; V164-L168 PolarHBondContact O-N 3.02Å; V164-L168 VanDerWaalsContact O-N 3.09Å |
| 165 | G | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G49 A161 L162 S167 L168 A169 | G49-G165 WeakPolarHBondContact CA-O 3.38Å; G49-G165 WeakPolarHBondContact O-CA 3.38Å; A161-G165 PolarHBondContact O-N 2.89Å; L162-G165 PolarHBondContact O-N 2.9Å; G165-S167 VanDerWaalsContact C-N 3.32Å; G165-S167 PolarHBondContact O-N 2.77Å; G165-L168 WeakPolarHBondContact O-CB 3.33Å; G165-L168 PolarHBondContact O-N 3.23Å; G165-A169 PolarHBondContact O-N 2.91Å |
| 166 | F | 98.8 | Very high | 95.6 | Very high | 107 Ų | 107 | 45.6 Ų | 45.6 | 47% | 0.469 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.4 | -30.4 | 176.5 | -72.2 | -43.7 | 0 | 0 | 0 | 112.9 | M46 L162 A163 L168 A169 L170 | M46-F166 HydrophobicContact CE-CE1 3.89Å; M46-F166 HydrophobicContact SD-CE1 4.4Å; L162-F166 HydrophobicContact CB-CD2 4.33Å; L162-F166 HydrophobicContact CB-CE2 4.22Å; L162-F166 HydrophobicContact CD2-CE2 4.36Å; L162-F166 WeakPolarHBondContact O-CB 3.32Å; L162-F166 VanDerWaalsContact O-CD2 3.23Å; L162-F166 WeakPolarHBondContact O-CD2 3.49Å; L162-F166 WeakPolarHBondContact O-CG 3.3Å; L162-F166 PolarHBondContact O-N 3.04Å; A163-F166 PolarHBondContact O-N 2.93Å; F166-L168 VanDerWaalsContact C-N 3.31Å; F166-A169 PolarHBondContact O-N 2.99Å; F166-L170 WeakPolarHBondContact O-CB 3.46Å; F166-L170 PolarHBondContact O-N 3.25Å |
| 167 | S | 98.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 42.9 Ų | 42.9 | 8% | 0.077 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 112 | Q140 F141 C144 A163 V164 G165 G171 | Q140-S167 PolarHBondContact NE2-O 2.98Å; Q140-S167 PolarHBondContact NE2-OG 2.92Å; Q140-S167 VanDerWaalsContact NE2-OG 3.1Å; F141-S167 WeakPolarHBondContact CA-OG 3.48Å; C144-S167 WeakPolarHBondContact CB-OG 3.47Å; A163-S167 WeakPolarHBondContact O-CB 3.34Å; A163-S167 PolarHBondContact O-N 2.67Å; V164-S167 WeakPolarHBondContact O-CB 3.14Å; V164-S167 PolarHBondContact O-N 3.01Å; G165-S167 VanDerWaalsContact C-N 3.32Å; G165-S167 PolarHBondContact O-N 2.77Å; S167-G171 PolarHBondContact O-N 2.72Å; S167-G171 VanDerWaalsContact O-N 3.15Å |
| 168 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68 | -41.9 | 172.1 | -176.3 | 66.4 | 0 | 0 | 0 | 111.8 | Y23 F48 L52 F141 V164 G165 F166 G171 H172 M183 | Y23-L168 HydrophobicContact CE2-CD2 3.61Å; Y23-L168 WeakPolarHBondContact OH-CD2 3.37Å; F48-L168 HydrophobicContact CB-CD2 4.06Å; F48-L168 HydrophobicContact CB-CG 4.47Å; F48-L168 WeakPolarHBondContact O-CD2 3.22Å; L52-L168 HydrophobicContact CB-CD2 3.77Å; L52-L168 HydrophobicContact CD2-CB 3.86Å; L52-L168 HydrophobicContact CD2-CD2 3.66Å; L52-L168 HydrophobicContact CD2-CG 4.3Å; L52-L168 HydrophobicContact CG-CD2 4.33Å; F141-L168 HydrophobicContact CD2-CB 4.35Å; F141-L168 HydrophobicContact CE2-CB 4Å; V164-L168 PolarHBondContact O-N 3.02Å; V164-L168 VanDerWaalsContact O-N 3.09Å; G165-L168 WeakPolarHBondContact O-CB 3.33Å; G165-L168 PolarHBondContact O-N 3.23Å; F166-L168 VanDerWaalsContact C-N 3.31Å; L168-G171 PolarHBondContact O-N 3.02Å; L168-H172 PolarHBondContact O-N 3.48Å; L168-H172 PolarHBondContact O-ND1 2.92Å; L168-M183 HydrophobicContact CD1-CB 4.33Å; L168-M183 HydrophobicContact CD1-CE 3.61Å; L168-M183 HydrophobicContact CD1-SD 3.82Å |
| 169 | A | 98.8 | Very high | 98.1 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | A45 G165 F166 G171 H172 L173 | A45-A169 HydrophobicContact CB-CB 4.48Å; A45-A169 WeakPolarHBondContact CB-O 3.33Å; A45-A169 WeakPolarHBondContact O-CA 3.29Å; A45-A169 VanDerWaalsContact O-CB 3.31Å; A45-A169 WeakPolarHBondContact O-CB 3.3Å; G165-A169 PolarHBondContact O-N 2.91Å; F166-A169 PolarHBondContact O-N 2.99Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 2.88Å; A169-H172 PolarHBondContact O-N 3.38Å; A169-H172 VanDerWaalsContact O-N 3.07Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.34Å |
| 170 | L | 98.8 | Very high | 98.2 | Very high | 99 Ų | 99 | 39.4 Ų | 39.4 | 52% | 0.518 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.8 | -46.3 | 174.2 | 174.2 | 58.9 | 0 | 0 | 0 | 111.1 | F166 H172 L173 F174 | F166-L170 WeakPolarHBondContact O-CB 3.46Å; F166-L170 PolarHBondContact O-N 3.25Å; L170-H172 VanDerWaalsContact C-N 3.29Å; L170-H172 PolarHBondContact O-N 3.39Å; L170-L173 PolarHBondContact O-N 3.32Å; L170-F174 PolarHBondContact O-N 2.96Å |
| 171 | G | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | L137 S167 L168 A169 G175 | L137-G171 VanDerWaalsContact CD2-O 3.24Å; L137-G171 WeakPolarHBondContact CD2-O 3.48Å; S167-G171 PolarHBondContact O-N 2.72Å; S167-G171 VanDerWaalsContact O-N 3.15Å; L168-G171 PolarHBondContact O-N 3.02Å; A169-G171 VanDerWaalsContact C-N 3.29Å; A169-G171 PolarHBondContact O-N 2.88Å; G171-G175 WeakPolarHBondContact O-CA 3.35Å; G171-G175 PolarHBondContact O-N 2.92Å |
| 172 | H | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -40.6 | 175.1 | -76.2 | 71 | 0 | 0 | 0 | 113.1 | A45 F48 L168 A169 L170 F174 M176 A181 | A45-H172 HydrophobicContact CB-CB 3.53Å; F48-H172 AromaticContact CD1-NE2 3.9Å; F48-H172 AromaticContact CD2-CD2 3.51Å; F48-H172 AromaticContact CD2-NE2 3.25Å; F48-H172 VanDerWaalsContact CD2-NE2 3.25Å; F48-H172 WeakPolarHBondContact CD2-NE2 3.47Å; F48-H172 AromaticContact CE2-NE2 3.71Å; F48-H172 AromaticContact CG-CD2 3.94Å; F48-H172 AromaticContact CG-CE1 3.79Å; F48-H172 AromaticContact CG-NE2 3.35Å; F48-H172 WeakPolarHBondContact CG-NE2 3.44Å; L168-H172 PolarHBondContact O-N 3.48Å; L168-H172 PolarHBondContact O-ND1 2.92Å; A169-H172 PolarHBondContact O-N 3.38Å; A169-H172 VanDerWaalsContact O-N 3.07Å; L170-H172 VanDerWaalsContact C-N 3.29Å; L170-H172 PolarHBondContact O-N 3.39Å; H172-F174 PolarHBondContact O-N 3.47Å; H172-M176 HydrophobicContact CB-CG 4.19Å; H172-M176 WeakPolarHBondContact O-CB 3.19Å; H172-M176 WeakPolarHBondContact O-CG 3.39Å; H172-M176 PolarHBondContact O-N 3.04Å; H172-M176 VanDerWaalsContact O-N 3.11Å; H172-A181 HydrophobicContact CB-CB 4.31Å |
| 173 | L | 98.6 | Very high | 98.3 | Very high | 73 Ų | 73 | 33.8 Ų | 33.8 | 38% | 0.382 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -56.1 | -34.5 | 177.5 | -73.6 | 173.7 | 0 | 0 | 0 | 111.9 | V41 L42 A45 A169 L170 | V41-L173 HydrophobicContact CG1-CD2 4.37Å; L42-L173 HydrophobicContact CD1-CD2 4.06Å; A45-L173 HydrophobicContact CB-CD2 3.76Å; A45-L173 HydrophobicContact CB-CG 3.77Å; A169-L173 WeakPolarHBondContact O-CG 3.19Å; A169-L173 PolarHBondContact O-N 3.34Å; L170-L173 PolarHBondContact O-N 3.32Å |
| 174 | F | 98.6 | Very high | 98.3 | Very high | 98 Ų | 98 | 32.1 Ų | 32.1 | 43% | 0.43 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -88.9 | -55.9 | 175.4 | 178.9 | -98.6 | 0 | 0 | 0 | 112.9 | V133 L137 L170 H172 M176 Y178 | V133-F174 HydrophobicContact CG1-CD1 4.45Å; V133-F174 HydrophobicContact CG1-CE1 4.02Å; V133-F174 HydrophobicContact CG2-CE1 4.4Å; L137-F174 HydrophobicContact CD2-CD1 3.81Å; L170-F174 PolarHBondContact O-N 2.96Å; H172-F174 PolarHBondContact O-N 3.47Å; F174-M176 PolarHBondContact O-N 3.08Å; F174-Y178 HydrophobicContact CD1-CE2 4.42Å; F174-Y178 HydrophobicContact CD2-CE2 4.34Å; F174-Y178 HydrophobicContact CE1-CD2 4.22Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 AromaticContact CE2-CE2 3.87Å; F174-Y178 HydrophobicContact CE2-CE2 3.87Å; F174-Y178 HydrophobicContact CZ-CD2 4.37Å; F174-Y178 AromaticContact CZ-CE2 3.67Å; F174-Y178 HydrophobicContact CZ-CE2 3.67Å; F174-Y178 AromaticContact CZ-CZ 3.91Å; F174-Y178 WeakPolarHBondContact O-CD2 3.25Å |
| 175 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -73.1 | -21.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | G171 Y177 Y178 T179 G180 A181 | G171-G175 WeakPolarHBondContact O-CA 3.35Å; G171-G175 PolarHBondContact O-N 2.92Å; G175-Y177 PolarHBondContact O-N 3.46Å; G175-Y178 PolarHBondContact O-N 3.24Å; G175-T179 PolarHBondContact O-N 3.18Å; G175-T179 PolarHBondContact O-OG1 2.76Å; G175-G180 PolarHBondContact O-N 3.05Å; G175-A181 PolarHBondContact O-N 3.45Å |
| 176 | M | 97.3 | Very high | 98.3 | Very high | 32 Ų | 32 | 32 Ų | 32 | 16% | 0.158 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -35.3 | -179.2 | -81.7 | -72.8 | -67 | 0 | 0 | 112.4 | V41 V44 H172 F174 Y178 G180 A181 | V41-M176 HydrophobicContact CG1-CB 3.93Å; V41-M176 HydrophobicContact CG1-CG 4.16Å; V41-M176 HydrophobicContact CG2-CB 4.07Å; V44-M176 HydrophobicContact CB-CE 4.14Å; V44-M176 HydrophobicContact CG1-CE 3.82Å; V44-M176 HydrophobicContact CG1-SD 3.93Å; V44-M176 HydrophobicContact CG2-CE 4.28Å; H172-M176 HydrophobicContact CB-CG 4.19Å; H172-M176 WeakPolarHBondContact O-CB 3.19Å; H172-M176 WeakPolarHBondContact O-CG 3.39Å; H172-M176 PolarHBondContact O-N 3.04Å; H172-M176 VanDerWaalsContact O-N 3.11Å; F174-M176 PolarHBondContact O-N 3.08Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 3.25Å; M176-G180 PolarHBondContact O-N 3Å; M176-G180 VanDerWaalsContact SD-O 3.38Å; M176-A181 HydrophobicContact CG-CB 4.28Å; M176-A181 HydrophobicContact SD-CB 4.5Å |
| 177 | Y | 97.3 | Very high | 98.3 | Very high | 148 Ų | 148 | 27.2 Ų | 27.2 | 58% | 0.58 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -74.2 | -20.6 | 179.4 | -59.8 | -70.6 | 0 | 0 | 0 | 114.2 | V41 H122 G175 | V41-Y177 HydrophobicContact CG1-CE2 4.23Å; V41-Y177 HydrophobicContact CG2-CE1 3.82Å; V41-Y177 HydrophobicContact CG2-CE2 4.25Å; H122-Y177 VanDerWaalsContact CB-O 3.27Å; H122-Y177 WeakPolarHBondContact CB-O 3.25Å; G175-Y177 PolarHBondContact O-N 3.46Å |
| 178 | Y | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 26.7 Ų | 26.7 | 34% | 0.337 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -100.4 | -49.5 | -174.7 | -66.2 | -95.9 | 0 | 0 | 0 | 111.7 | H122 V125 V133 F174 G175 M176 | H122-Y178 PolarHBondContact N-O 3.3Å; V125-Y178 HydrophobicContact CG2-CD1 3.97Å; V133-Y178 HydrophobicContact CG1-CG 4.27Å; V133-Y178 HydrophobicContact CG2-CD1 3.89Å; V133-Y178 HydrophobicContact CG2-CE1 4.42Å; V133-Y178 HydrophobicContact CG2-CG 4.04Å; F174-Y178 HydrophobicContact CD1-CE2 4.42Å; F174-Y178 HydrophobicContact CD2-CE2 4.34Å; F174-Y178 HydrophobicContact CE1-CD2 4.22Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 AromaticContact CE2-CE2 3.87Å; F174-Y178 HydrophobicContact CE2-CE2 3.87Å; F174-Y178 HydrophobicContact CZ-CD2 4.37Å; F174-Y178 AromaticContact CZ-CE2 3.67Å; F174-Y178 HydrophobicContact CZ-CE2 3.67Å; F174-Y178 AromaticContact CZ-CZ 3.91Å; F174-Y178 WeakPolarHBondContact O-CD2 3.25Å; G175-Y178 PolarHBondContact O-N 3.24Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 3.25Å |
| 179 | T | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -134.9 | -2.4 | -166 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | T120 L121 A130 V133 E134 G175 A181 Y204 | T120-T179 PolarHBondContact N-O 2.94Å; T120-T179 CarbonylContact O-C 3.2Å; L121-T179 HydrophobicContact CD2-CG2 3.86Å; A130-T179 HydrophobicContact CB-CG2 3.69Å; V133-T179 HydrophobicContact CB-CG2 4.41Å; V133-T179 HydrophobicContact CG1-CG2 4.27Å; E134-T179 HydrophobicContact CG-CG2 4.2Å; E134-T179 WeakPolarHBondContact OE1-CB 3.38Å; E134-T179 PolarHBondContact OE1-OG1 3.23Å; G175-T179 PolarHBondContact O-N 3.18Å; G175-T179 PolarHBondContact O-OG1 2.76Å; T179-A181 PolarHBondContact OG1-N 2.99Å; T179-Y204 WeakPolarHBondContact O-CE1 3.42Å; T179-Y204 PolarHBondContact O-OH 3.46Å |
| 180 | G | 96.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 74 | 12.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N119 G175 M176 | N119-G180 PolarHBondContact ND2-O 3.49Å; G175-G180 PolarHBondContact O-N 3.05Å; M176-G180 PolarHBondContact O-N 3Å; M176-G180 VanDerWaalsContact SD-O 3.38Å |
| 181 | A | 97.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 51 | 80 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N119 L137 H172 G175 M176 T179 | N119-A181 PolarHBondContact ND2-O 3.25Å; L137-A181 HydrophobicContact CD1-CB 4.44Å; H172-A181 HydrophobicContact CB-CB 4.31Å; G175-A181 PolarHBondContact O-N 3.45Å; M176-A181 HydrophobicContact CG-CB 4.28Å; M176-A181 HydrophobicContact SD-CB 4.5Å; T179-A181 PolarHBondContact OG1-N 2.99Å | ||
| 182 | G | 96.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -65.7 | -68.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N119 E134 N184 | N119-G182 WeakPolarHBondContact ND2-CA 3.42Å; N119-G182 PolarHBondContact ND2-N 2.89Å; E134-G182 PolarHBondContact OE1-N 3.21Å; G182-N184 PolarHBondContact O-N 3.16Å | ||
| 183 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | 55.7 | -11.7 | -179.8 | -58.8 | 174.2 | 65.6 | 0 | 0 | 115.8 | N68 E134 L137 F141 L168 | N68-M183 PolarHBondContact ND2-O 3.18Å; E134-M183 PolarHBondContact OE2-N 3.07Å; L137-M183 HydrophobicContact CB-CE 4.32Å; L137-M183 HydrophobicContact CB-CG 3.68Å; L137-M183 HydrophobicContact CB-SD 4.02Å; L137-M183 HydrophobicContact CD1-CG 4.06Å; L137-M183 HydrophobicContact CD1-SD 4.39Å; L137-M183 HydrophobicContact CG-CG 4.47Å; L137-M183 WeakPolarHBondContact O-CE 3.49Å; F141-M183 HydrophobicContact CB-CE 3.74Å; F141-M183 HydrophobicContact CD1-CE 4.35Å; F141-M183 HydrophobicContact CD2-CE 4.49Å; F141-M183 HydrophobicContact CG-CE 3.97Å; L168-M183 HydrophobicContact CD1-CB 4.33Å; L168-M183 HydrophobicContact CD1-CE 3.61Å; L168-M183 HydrophobicContact CD1-SD 3.82Å | ||
| 184 | N | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | trans | -148.1 | 107.7 | -169 | -179 | -23.5 | 0 | 0 | 0 | 109.5 | Y23 V67 N68 P69 G182 A186 R187 S188 | Y23-N184 VanDerWaalsContact CE1-ND2 3.29Å; Y23-N184 WeakPolarHBondContact CE1-ND2 3.42Å; V67-N184 PolarHBondContact O-ND2 3.3Å; N68-N184 HydrophobicContact CB-CB 4.35Å; N68-N184 WeakPolarHBondContact CB-ND2 3.27Å; N68-N184 WeakPolarHBondContact ND2-CB 3.41Å; N68-N184 WeakPolarHBondContact OD1-CA 3.41Å; P69-N184 WeakPolarHBondContact CD-OD1 3.4Å; G182-N184 PolarHBondContact O-N 3.16Å; N184-A186 VanDerWaalsContact C-N 3.27Å; N184-A186 PolarHBondContact O-N 3.08Å; N184-A186 WeakPolarHBondContact OD1-CB 3.42Å; N184-A186 PolarHBondContact OD1-N 3.43Å; N184-R187 HydrophobicContact CB-CB 3.91Å; N184-R187 PolarHBondContact O-N 2.71Å; N184-R187 PolarHBondContact OD1-N 2.85Å; N184-S188 PolarHBondContact O-N 3.37Å; N184-S188 VanDerWaalsContact O-N 3.12Å; N184-S188 PolarHBondContact O-OG 3.11Å | ||
| 185 | P | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.1 | -35.9 | 179.8 | -27.1 | 34.7 | 0 | 0 | 0 | 114.1 | N68 P69 A70 S188 F189 W205 P208 | N68-P185 VanDerWaalsContact OD1-CD 3.29Å; N68-P185 WeakPolarHBondContact OD1-CD 3.37Å; P69-P185 HydrophobicContact CB-CB 4.18Å; P69-P185 HydrophobicContact CB-CG 4.16Å; P69-P185 HydrophobicContact CG-CB 4.19Å; A70-P185 HydrophobicContact CB-CG 4.31Å; P185-S188 PolarHBondContact O-N 3.47Å; P185-F189 WeakPolarHBondContact O-CB 3.15Å; P185-F189 PolarHBondContact O-N 2.79Å; P185-W205 HydrophobicContact CB-CD2 3.65Å; P185-W205 HydrophobicContact CB-CE3 3.6Å; P185-W205 HydrophobicContact CB-CG 4.27Å; P185-W205 HydrophobicContact CB-CH2 3.99Å; P185-W205 HydrophobicContact CB-CZ2 4.01Å; P185-W205 HydrophobicContact CB-CZ3 3.78Å; P185-W205 HydrophobicContact CG-CD2 4.41Å; P185-W205 HydrophobicContact CG-CE3 4.16Å; P185-P208 HydrophobicContact CG-CB 4.25Å |
| 186 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T20 P69 Q93 L94 A97 N184 S188 F189 A190 | T20-A186 HydrophobicContact CG2-CB 4.26Å; P69-A186 HydrophobicContact CG-CB 3.85Å; Q93-A186 HydrophobicContact CB-CB 4.24Å; L94-A186 HydrophobicContact CD2-CB 4.06Å; A97-A186 HydrophobicContact CB-CB 3.88Å; A97-A186 VanDerWaalsContact CB-O 3.31Å; A97-A186 WeakPolarHBondContact CB-O 3.49Å; N184-A186 VanDerWaalsContact C-N 3.27Å; N184-A186 PolarHBondContact O-N 3.08Å; N184-A186 WeakPolarHBondContact OD1-CB 3.42Å; N184-A186 PolarHBondContact OD1-N 3.43Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 2.91Å; A186-F189 PolarHBondContact O-N 3.27Å; A186-A190 PolarHBondContact O-N 3.43Å |
| 187 | R | 98.8 | Very high | 98.3 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 175.2 | 173.7 | -90.2 | -175.2 | -95.7 | 5.2 | 113.1 | Y23 V24 L28 F48 A117 N119 N184 P191 | Y23-R187 HydrophobicContact CE1-CB 3.86Å; Y23-R187 HydrophobicContact CE1-CG 4.08Å; V24-R187 HydrophobicContact CG2-CB 4.21Å; L28-R187 HydrophobicContact CD1-CG 4.11Å; F48-R187 HydrophobicContact CE1-CG 3.97Å; F48-R187 HydrophobicContact CZ-CG 4.33Å; A117-R187 PolarHBondContact O-NH1 3.15Å; A117-R187 PolarHBondContact O-NH2 2.8Å; N119-R187 WeakPolarHBondContact OD1-CD 3.28Å; N119-R187 PolarHBondContact OD1-NH1 3.17Å; N184-R187 HydrophobicContact CB-CB 3.91Å; N184-R187 PolarHBondContact O-N 2.71Å; N184-R187 PolarHBondContact OD1-N 2.85Å; R187-P191 WeakPolarHBondContact O-CD 3.39Å; R187-P191 WeakPolarHBondContact O-CG 3.08Å |
| 188 | S | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -78.3 | -33.5 | 175.3 | -58.4 | 0 | 0 | 0 | 0 | 111.8 | N119 N184 P185 A186 P191 A192 H201 Y204 | N119-S188 WeakPolarHBondContact OD1-CA 3.4Å; N119-S188 WeakPolarHBondContact OD1-CB 3.21Å; N119-S188 PolarHBondContact OD1-OG 3.27Å; N184-S188 PolarHBondContact O-N 3.37Å; N184-S188 VanDerWaalsContact O-N 3.12Å; N184-S188 PolarHBondContact O-OG 3.11Å; P185-S188 PolarHBondContact O-N 3.47Å; A186-S188 VanDerWaalsContact C-N 3.33Å; A186-S188 PolarHBondContact O-N 2.91Å; S188-P191 WeakPolarHBondContact O-CD 3.29Å; S188-A192 WeakPolarHBondContact O-CB 3.23Å; S188-H201 PolarHBondContact O-CE1 3.08Å; S188-Y204 WeakPolarHBondContact OG-CB 3.32Å |
| 189 | F | 98.9 | Very high | 98.3 | Very high | 46 Ų | 46 | 27.8 Ų | 27.8 | 20% | 0.202 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -68.3 | -43.9 | -178.9 | 178 | -105.2 | 0 | 0 | 0 | 112.7 | L94 V98 P185 A186 A192 I193 F198 H201 W205 | L94-F189 HydrophobicContact CD2-CB 4.04Å; L94-F189 HydrophobicContact CD2-CD1 3.67Å; L94-F189 HydrophobicContact CD2-CE1 4.32Å; L94-F189 HydrophobicContact CD2-CG 3.93Å; V98-F189 HydrophobicContact CG2-CD1 4.02Å; V98-F189 HydrophobicContact CG2-CE1 3.87Å; P185-F189 WeakPolarHBondContact O-CB 3.15Å; P185-F189 PolarHBondContact O-N 2.79Å; A186-F189 PolarHBondContact O-N 3.27Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.32Å; F189-A192 VanDerWaalsContact O-N 3.11Å; F189-I193 HydrophobicContact CD1-CG2 4.34Å; F189-I193 HydrophobicContact CE1-CB 4.42Å; F189-I193 HydrophobicContact CE1-CD1 4.12Å; F189-I193 HydrophobicContact CE1-CG2 4.05Å; F189-I193 HydrophobicContact CE2-CB 4.38Å; F189-I193 HydrophobicContact CE2-CD1 4.35Å; F189-I193 HydrophobicContact CZ-CB 4.18Å; F189-I193 HydrophobicContact CZ-CD1 3.6Å; F189-I193 HydrophobicContact CZ-CG1 4.46Å; F189-I193 HydrophobicContact CZ-CG2 4.31Å; F189-I193 WeakPolarHBondContact O-CG2 3.25Å; F189-I193 PolarHBondContact O-N 3.26Å; F189-F198 HydrophobicContact CD2-CE1 4.29Å; F189-F198 HydrophobicContact CE2-CE1 4.22Å; F189-H201 AromaticContact CD2-NE2 3.92Å; F189-W205 HydrophobicContact CB-CZ2 4.25Å; F189-W205 HydrophobicContact CD2-CZ2 4.29Å; F189-W205 HydrophobicContact CG-CZ2 4.41Å |
| 190 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.8 | -53.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V24 A97 V98 A101 A186 A192 I193 L194 | V24-A190 HydrophobicContact CG1-CB 4.11Å; A97-A190 VanDerWaalsContact C-CB 3.43Å; A97-A190 HydrophobicContact CB-CB 3.81Å; A97-A190 VanDerWaalsContact O-CB 3.3Å; A97-A190 WeakPolarHBondContact O-CB 3.32Å; V98-A190 HydrophobicContact CG2-CB 4.4Å; A101-A190 HydrophobicContact CB-CB 3.82Å; A186-A190 PolarHBondContact O-N 3.43Å; A190-A192 VanDerWaalsContact C-N 3.3Å; A190-A192 PolarHBondContact O-N 3.3Å; A190-I193 WeakPolarHBondContact O-CG2 3.33Å; A190-L194 WeakPolarHBondContact O-CD1 3.41Å; A190-L194 PolarHBondContact O-N 3.2Å |
| 191 | P | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -31.8 | 175.4 | 26.4 | -32.4 | 0 | 0 | 0 | 112 | L28 L116 L118 R187 S188 T195 | L28-P191 HydrophobicContact CD2-CB 4.16Å; L28-P191 HydrophobicContact CD2-CG 4.19Å; L116-P191 HydrophobicContact CB-CB 4.05Å; L116-P191 WeakPolarHBondContact O-CB 3.47Å; L118-P191 HydrophobicContact CB-CB 4.24Å; L118-P191 HydrophobicContact CD1-CB 4.15Å; L118-P191 HydrophobicContact CD1-CG 4.12Å; R187-P191 WeakPolarHBondContact O-CD 3.39Å; R187-P191 WeakPolarHBondContact O-CG 3.08Å; S188-P191 WeakPolarHBondContact O-CD 3.29Å; P191-T195 VanDerWaalsContact O-CB 3.32Å; P191-T195 WeakPolarHBondContact O-CB 3.45Å; P191-T195 VanDerWaalsContact O-CG2 3.29Å; P191-T195 WeakPolarHBondContact O-CG2 3.37Å; P191-T195 PolarHBondContact O-N 3.43Å; P191-T195 PolarHBondContact O-OG1 3.36Å |
| 192 | A | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L118 S188 F189 A190 G196 N197 F198 | L118-A192 HydrophobicContact CD1-CB 3.77Å; S188-A192 WeakPolarHBondContact O-CB 3.23Å; F189-A192 WeakPolarHBondContact O-CB 3.42Å; F189-A192 PolarHBondContact O-N 3.32Å; F189-A192 VanDerWaalsContact O-N 3.11Å; A190-A192 VanDerWaalsContact C-N 3.3Å; A190-A192 PolarHBondContact O-N 3.3Å; A192-G196 CarbonylContact O-C 3.51Å; A192-G196 WeakPolarHBondContact O-CA 3.41Å; A192-G196 PolarHBondContact O-N 2.76Å; A192-N197 WeakPolarHBondContact CA-O 3.45Å; A192-N197 WeakPolarHBondContact CB-O 3.34Å; A192-N197 PolarHBondContact O-N 2.78Å; A192-F198 HydrophobicContact CB-CD1 3.99Å; A192-F198 HydrophobicContact CB-CE1 3.87Å; A192-F198 HydrophobicContact CB-CZ 4.32Å |
| 193 | I | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 36.7 Ų | 36.7 | 40% | 0.4 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -37.4 | 179.8 | -167.4 | 168 | 0 | 0 | 0 | 112.4 | V98 F189 A190 F198 | V98-I193 HydrophobicContact CG2-CG2 3.76Å; F189-I193 HydrophobicContact CD1-CG2 4.34Å; F189-I193 HydrophobicContact CE1-CB 4.42Å; F189-I193 HydrophobicContact CE1-CD1 4.12Å; F189-I193 HydrophobicContact CE1-CG2 4.05Å; F189-I193 HydrophobicContact CE2-CB 4.38Å; F189-I193 HydrophobicContact CE2-CD1 4.35Å; F189-I193 HydrophobicContact CZ-CB 4.18Å; F189-I193 HydrophobicContact CZ-CD1 3.6Å; F189-I193 HydrophobicContact CZ-CG1 4.46Å; F189-I193 HydrophobicContact CZ-CG2 4.31Å; F189-I193 WeakPolarHBondContact O-CG2 3.25Å; F189-I193 PolarHBondContact O-N 3.26Å; A190-I193 WeakPolarHBondContact O-CG2 3.33Å; I193-F198 HydrophobicContact CB-CZ 3.95Å; I193-F198 HydrophobicContact CG1-CZ 4.34Å |
| 194 | L | 98 | Very high | 98.6 | Very high | 63 Ų | 63 | 36.8 Ų | 36.8 | 33% | 0.33 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.7 | -32.1 | 177.8 | -93.5 | 64.9 | 0 | 0 | 0 | 113.2 | V98 A101 A102 L116 A190 | V98-L194 HydrophobicContact CG1-CD1 3.91Å; A101-L194 HydrophobicContact CB-CD2 3.78Å; A102-L194 HydrophobicContact CB-CD2 4.22Å; L116-L194 HydrophobicContact CD1-CB 4.04Å; L116-L194 HydrophobicContact CD1-CD2 3.83Å; A190-L194 WeakPolarHBondContact O-CD1 3.41Å; A190-L194 PolarHBondContact O-N 3.2Å |
| 195 | T | 97.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -94 | -6.4 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | L116 P191 N197 | L116-T195 HydrophobicContact CB-CG2 4.49Å; L116-T195 HydrophobicContact CD1-CG2 4.47Å; P191-T195 VanDerWaalsContact O-CB 3.32Å; P191-T195 WeakPolarHBondContact O-CB 3.45Å; P191-T195 VanDerWaalsContact O-CG2 3.29Å; P191-T195 WeakPolarHBondContact O-CG2 3.37Å; P191-T195 PolarHBondContact O-N 3.43Å; P191-T195 PolarHBondContact O-OG1 3.36Å; T195-N197 PolarHBondContact O-N 2.91Å |
| 196 | G | 98.2 | Very high | 98.6 | Very high | 61 Ų | 61 | 43.3 Ų | 43.3 | 63% | 0.629 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 18.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A192 | A192-G196 CarbonylContact O-C 3.51Å; A192-G196 WeakPolarHBondContact O-CA 3.41Å; A192-G196 PolarHBondContact O-N 2.76Å |
| 197 | N | 98.3 | Very high | 98.6 | Very high | 65 Ų | 65 | 43.3 Ų | 43.3 | 35% | 0.348 | 23% | 0.23 | S | C | . | . | trans | -114.7 | 109.1 | -175.3 | -171.6 | -13.1 | 0 | 0 | 0 | 111.7 | L118 A192 T195 T199 | L118-N197 HydrophobicContact CD2-CB 3.9Å; A192-N197 WeakPolarHBondContact CA-O 3.45Å; A192-N197 WeakPolarHBondContact CB-O 3.34Å; A192-N197 PolarHBondContact O-N 2.78Å; T195-N197 PolarHBondContact O-N 2.91Å; N197-T199 VanDerWaalsContact OD1-CB 3.25Å; N197-T199 WeakPolarHBondContact OD1-CB 3.27Å; N197-T199 PolarHBondContact OD1-N 2.59Å; N197-T199 PolarHBondContact OD1-OG1 2.91Å | ||
| 198 | F | 98.5 | Very high | 98.6 | Very high | 100 Ų | 100 | 43 Ų | 43 | 44% | 0.439 | 23% | 0.229 | S | C | . | . | trans | -110.2 | 19.2 | 179.1 | -68.1 | -89.9 | 0 | 0 | 0 | 113.1 | F189 A192 I193 N200 H201 | F189-F198 HydrophobicContact CD2-CE1 4.29Å; F189-F198 HydrophobicContact CE2-CE1 4.22Å; A192-F198 HydrophobicContact CB-CD1 3.99Å; A192-F198 HydrophobicContact CB-CE1 3.87Å; A192-F198 HydrophobicContact CB-CZ 4.32Å; I193-F198 HydrophobicContact CB-CZ 3.95Å; I193-F198 HydrophobicContact CG1-CZ 4.34Å; F198-N200 PolarHBondContact O-N 3.49Å; F198-H201 HydrophobicContact CB-CB 4.02Å; F198-H201 HydrophobicContact CD1-CB 4.09Å; F198-H201 AromaticContact CD1-CD2 3.63Å; F198-H201 AromaticContact CD1-CG 3.79Å; F198-H201 WeakPolarHBondContact O-CB 3.35Å; F198-H201 PolarHBondContact O-N 3.26Å | ||
| 199 | T | 98.4 | Very high | 98.6 | Very high | 96 Ų | 96 | 45 Ų | 45 | 59% | 0.589 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 123.9 | 178.4 | -55 | 0 | 0 | 0 | 0 | 110.2 | N197 H201 | N197-T199 VanDerWaalsContact OD1-CB 3.25Å; N197-T199 WeakPolarHBondContact OD1-CB 3.27Å; N197-T199 PolarHBondContact OD1-N 2.59Å; N197-T199 PolarHBondContact OD1-OG1 2.91Å; T199-H201 PolarHBondContact O-N 3.07Å |
| 200 | N | 98.4 | Very high | 98.6 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 32% | 0.316 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 15.4 | -175.8 | -56.9 | -39.4 | 0 | 0 | 0 | 115 | L121 F198 W202 V203 | L121-N200 HydrophobicContact CD1-CB 3.91Å; L121-N200 HydrophobicContact CG-CB 4.14Å; F198-N200 PolarHBondContact O-N 3.49Å; N200-W202 PolarHBondContact O-N 3.31Å; N200-W202 VanDerWaalsContact O-N 3.12Å; N200-V203 HydrophobicContact CB-CG2 4.47Å; N200-V203 WeakPolarHBondContact O-CB 3.42Å; N200-V203 WeakPolarHBondContact O-CG2 3.35Å; N200-V203 PolarHBondContact O-N 2.81Å |
| 201 | H | 98.6 | Very high | 98.6 | Very high | 18 Ų | 18 | 46.4 Ų | 46.4 | 8% | 0.083 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.1 | -170.7 | -173 | 67.5 | 0 | 0 | 0 | 113.7 | S188 F189 F198 T199 V203 Y204 W205 | S188-H201 PolarHBondContact O-CE1 3.08Å; F189-H201 AromaticContact CD2-NE2 3.92Å; F198-H201 HydrophobicContact CB-CB 4.02Å; F198-H201 HydrophobicContact CD1-CB 4.09Å; F198-H201 AromaticContact CD1-CD2 3.63Å; F198-H201 AromaticContact CD1-CG 3.79Å; F198-H201 WeakPolarHBondContact O-CB 3.35Å; F198-H201 PolarHBondContact O-N 3.26Å; T199-H201 PolarHBondContact O-N 3.07Å; H201-V203 PolarHBondContact O-N 3.15Å; H201-V203 VanDerWaalsContact O-N 3.16Å; H201-Y204 PolarHBondContact O-N 3.42Å; H201-W205 AromaticContact CD2-CD1 3.66Å; H201-W205 AromaticContact CD2-NE1 3.46Å; H201-W205 PolarHBondContact CD2-NE1 3.33Å; H201-W205 AromaticContact CE1-NE1 3.79Å; H201-W205 AromaticContact NE2-CD1 3.49Å; H201-W205 AromaticContact NE2-NE1 2.89Å; H201-W205 PolarHBondContact NE2-NE1 3.1Å |
| 202 | W | 98.6 | Very high | 98.6 | Very high | 123 Ų | 123 | 46.4 Ų | 46.4 | 47% | 0.466 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.7 | 177.9 | 72.2 | -93.6 | 0 | 0 | 0 | 113 | V127 T131 N200 Y204 W205 V206 | V127-W202 HydrophobicContact CB-CZ2 3.9Å; V127-W202 HydrophobicContact CG2-CZ2 4.1Å; T131-W202 HydrophobicContact CG2-CZ3 4.34Å; T131-W202 WeakPolarHBondContact OG1-CH2 3.44Å; N200-W202 PolarHBondContact O-N 3.31Å; N200-W202 VanDerWaalsContact O-N 3.12Å; W202-Y204 PolarHBondContact O-N 3.07Å; W202-W205 PolarHBondContact O-N 3.23Å; W202-W205 VanDerWaalsContact O-N 3.1Å; W202-V206 HydrophobicContact CE3-CB 3.94Å; W202-V206 HydrophobicContact CE3-CG1 4.47Å; W202-V206 HydrophobicContact CE3-CG2 3.76Å; W202-V206 HydrophobicContact CZ3-CB 4.15Å; W202-V206 HydrophobicContact CZ3-CG1 4.22Å; W202-V206 HydrophobicContact CZ3-CG2 4.3Å; W202-V206 WeakPolarHBondContact O-CB 3.39Å; W202-V206 WeakPolarHBondContact O-CG2 3.37Å; W202-V206 PolarHBondContact O-N 3.42Å |
| 203 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -39.5 | 177.1 | 174.5 | 0 | 0 | 0 | 0 | 110.7 | L121 V127 A130 E134 N200 H201 W205 G207 P208 | L121-V203 HydrophobicContact CD2-CG1 4.45Å; V127-V203 HydrophobicContact CB-CG2 4.44Å; A130-V203 HydrophobicContact CB-CG1 4.03Å; E134-V203 HydrophobicContact CG-CG1 4.16Å; N200-V203 HydrophobicContact CB-CG2 4.47Å; N200-V203 WeakPolarHBondContact O-CB 3.42Å; N200-V203 WeakPolarHBondContact O-CG2 3.35Å; N200-V203 PolarHBondContact O-N 2.81Å; H201-V203 PolarHBondContact O-N 3.15Å; H201-V203 VanDerWaalsContact O-N 3.16Å; V203-W205 PolarHBondContact O-N 3.45Å; V203-G207 PolarHBondContact O-N 3.07Å; V203-P208 WeakPolarHBondContact O-CD 3.46Å |
| 204 | Y | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -80.7 | -2.4 | -177.9 | -53.5 | -67.1 | 0 | 0 | 0 | 114.1 | N119 T120 L121 E134 T179 S188 H201 W202 P208 | N119-Y204 HydrophobicContact CB-CD1 3.9Å; N119-Y204 HydrophobicContact CB-CD2 4.11Å; N119-Y204 HydrophobicContact CB-CE1 3.41Å; N119-Y204 VanDerWaalsContact CB-CE1 3.41Å; N119-Y204 HydrophobicContact CB-CE2 3.68Å; N119-Y204 HydrophobicContact CB-CG 4.21Å; N119-Y204 WeakPolarHBondContact O-CE2 3.15Å; N119-Y204 PolarHBondContact O-OH 3.39Å; T120-Y204 WeakPolarHBondContact CA-OH 3.25Å; T120-Y204 PolarHBondContact N-OH 3.32Å; T120-Y204 VanDerWaalsContact N-OH 3.08Å; L121-Y204 WeakPolarHBondContact CD2-OH 3.35Å; L121-Y204 PolarHBondContact N-OH 2.88Å; E134-Y204 HydrophobicContact CG-CD1 4.34Å; T179-Y204 WeakPolarHBondContact O-CE1 3.42Å; T179-Y204 PolarHBondContact O-OH 3.46Å; S188-Y204 WeakPolarHBondContact OG-CB 3.32Å; H201-Y204 PolarHBondContact O-N 3.42Å; W202-Y204 PolarHBondContact O-N 3.07Å; Y204-P208 WeakPolarHBondContact O-CD 3.08Å; Y204-P208 WeakPolarHBondContact O-CG 3.2Å |
| 205 | W | 98.8 | Very high | 98.6 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -102.6 | -54.7 | 166.9 | -74.6 | 83.2 | 0 | 0 | 0 | 110.5 | L94 P185 F189 H201 W202 V203 I209 | L94-W205 HydrophobicContact CD1-CH2 4.14Å; L94-W205 HydrophobicContact CD2-CH2 3.75Å; L94-W205 HydrophobicContact CD2-CZ2 3.95Å; P185-W205 HydrophobicContact CB-CD2 3.65Å; P185-W205 HydrophobicContact CB-CE3 3.6Å; P185-W205 HydrophobicContact CB-CG 4.27Å; P185-W205 HydrophobicContact CB-CH2 3.99Å; P185-W205 HydrophobicContact CB-CZ2 4.01Å; P185-W205 HydrophobicContact CB-CZ3 3.78Å; P185-W205 HydrophobicContact CG-CD2 4.41Å; P185-W205 HydrophobicContact CG-CE3 4.16Å; F189-W205 HydrophobicContact CB-CZ2 4.25Å; F189-W205 HydrophobicContact CD2-CZ2 4.29Å; F189-W205 HydrophobicContact CG-CZ2 4.41Å; H201-W205 AromaticContact CD2-CD1 3.66Å; H201-W205 AromaticContact CD2-NE1 3.46Å; H201-W205 PolarHBondContact CD2-NE1 3.33Å; H201-W205 AromaticContact CE1-NE1 3.79Å; H201-W205 AromaticContact NE2-CD1 3.49Å; H201-W205 AromaticContact NE2-NE1 2.89Å; H201-W205 PolarHBondContact NE2-NE1 3.1Å; W202-W205 PolarHBondContact O-N 3.23Å; W202-W205 VanDerWaalsContact O-N 3.1Å; V203-W205 PolarHBondContact O-N 3.45Å; W205-I209 WeakPolarHBondContact O-CB 3.46Å; W205-I209 WeakPolarHBondContact O-CG1 3.35Å; W205-I209 PolarHBondContact O-N 3.11Å |
| 206 | V | 98.8 | Very high | 98.5 | Very high | 58 Ų | 58 | 41 Ų | 41 | 35% | 0.352 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -48.7 | -174.6 | 172.7 | 0 | 0 | 0 | 0 | 111.2 | T131 W202 I210 | T131-V206 HydrophobicContact CG2-CG1 4.08Å; W202-V206 HydrophobicContact CE3-CB 3.94Å; W202-V206 HydrophobicContact CE3-CG1 4.47Å; W202-V206 HydrophobicContact CE3-CG2 3.76Å; W202-V206 HydrophobicContact CZ3-CB 4.15Å; W202-V206 HydrophobicContact CZ3-CG1 4.22Å; W202-V206 HydrophobicContact CZ3-CG2 4.3Å; W202-V206 WeakPolarHBondContact O-CB 3.39Å; W202-V206 WeakPolarHBondContact O-CG2 3.37Å; W202-V206 PolarHBondContact O-N 3.42Å; V206-I210 HydrophobicContact CG1-CD1 3.57Å; V206-I210 HydrophobicContact CG1-CG1 4.39Å; V206-I210 WeakPolarHBondContact O-CB 3.44Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.36Å; V206-I210 PolarHBondContact O-N 2.75Å |
| 207 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.5 | -56.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112 | I135 V203 I209 I210 G211 | I135-G207 WeakPolarHBondContact CA-O 3.4Å; I135-G207 WeakPolarHBondContact CG1-O 3.35Å; V203-G207 PolarHBondContact O-N 3.07Å; G207-I209 PolarHBondContact O-N 2.93Å; G207-I210 PolarHBondContact O-N 3.35Å; G207-G211 PolarHBondContact O-N 3.47Å |
| 208 | P | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.9 | -40 | 179 | -28.2 | 39.4 | 0 | 0 | 0 | 114.9 | A70 E134 T138 P185 V203 Y204 G211 G212 | A70-P208 HydrophobicContact CB-CB 3.67Å; A70-P208 WeakPolarHBondContact CB-O 3.09Å; E134-P208 HydrophobicContact CB-CG 4.43Å; T138-P208 HydrophobicContact CG2-CB 4.02Å; T138-P208 VanDerWaalsContact CG2-O 3.3Å; T138-P208 WeakPolarHBondContact CG2-O 3.33Å; T138-P208 WeakPolarHBondContact OG1-CA 3.39Å; T138-P208 WeakPolarHBondContact OG1-CB 3.22Å; P185-P208 HydrophobicContact CG-CB 4.25Å; V203-P208 WeakPolarHBondContact O-CD 3.46Å; Y204-P208 WeakPolarHBondContact O-CD 3.08Å; Y204-P208 WeakPolarHBondContact O-CG 3.2Å; P208-G211 PolarHBondContact O-N 3.14Å; P208-G212 PolarHBondContact O-N 3.46Å |
| 209 | I | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 37.3 Ų | 37.3 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 179.2 | -69.3 | -73.9 | 0 | 0 | 0 | 111.2 | A70 F73 W205 G207 G213 | A70-I209 HydrophobicContact CB-CD1 4.46Å; F73-I209 HydrophobicContact CB-CD1 3.78Å; F73-I209 HydrophobicContact CD1-CD1 4.19Å; F73-I209 HydrophobicContact CD1-CG2 3.77Å; F73-I209 HydrophobicContact CE1-CG2 3.67Å; F73-I209 HydrophobicContact CG-CD1 3.93Å; F73-I209 HydrophobicContact CG-CG2 4.27Å; F73-I209 HydrophobicContact CZ-CG2 4.11Å; W205-I209 WeakPolarHBondContact O-CB 3.46Å; W205-I209 WeakPolarHBondContact O-CG1 3.35Å; W205-I209 PolarHBondContact O-N 3.11Å; G207-I209 PolarHBondContact O-N 2.93Å; I209-G213 PolarHBondContact O-N 3.33Å |
| 210 | I | 98.8 | Very high | 98.2 | Very high | 76 Ų | 76 | 32.8 Ų | 32.8 | 39% | 0.39 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.6 | -48.9 | 175.3 | -67.8 | 173.8 | 0 | 0 | 0 | 110.1 | I135 V206 G207 G212 G213 L214 | I135-I210 HydrophobicContact CD1-CB 4.27Å; I135-I210 HydrophobicContact CD1-CD1 4.5Å; I135-I210 HydrophobicContact CD1-CG2 3.86Å; I135-I210 HydrophobicContact CG1-CB 4.08Å; I135-I210 HydrophobicContact CG1-CG2 3.97Å; I135-I210 HydrophobicContact CG2-CG2 4.36Å; V206-I210 HydrophobicContact CG1-CD1 3.57Å; V206-I210 HydrophobicContact CG1-CG1 4.39Å; V206-I210 WeakPolarHBondContact O-CB 3.44Å; V206-I210 VanDerWaalsContact O-CG1 3.28Å; V206-I210 WeakPolarHBondContact O-CG1 3.36Å; V206-I210 PolarHBondContact O-N 2.75Å; G207-I210 PolarHBondContact O-N 3.35Å; I210-G212 VanDerWaalsContact C-N 3.34Å; I210-G212 PolarHBondContact O-N 2.93Å; I210-G213 PolarHBondContact O-N 3.45Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.23Å; I210-L214 WeakPolarHBondContact O-CB 3.41Å; I210-L214 VanDerWaalsContact O-CG 3.31Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 2.98Å |
| 211 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I135 L139 G207 P208 L214 G215 | I135-G211 WeakPolarHBondContact O-CA 3.44Å; L139-G211 WeakPolarHBondContact CA-O 3.49Å; G207-G211 PolarHBondContact O-N 3.47Å; P208-G211 PolarHBondContact O-N 3.14Å; G211-L214 PolarHBondContact O-N 3.24Å; G211-G215 PolarHBondContact O-N 3.24Å |
| 212 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.3 | -42.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | A74 V142 P208 I210 L214 G215 S216 | A74-G212 WeakPolarHBondContact CB-O 3.4Å; V142-G212 WeakPolarHBondContact CG1-O 3.28Å; P208-G212 PolarHBondContact O-N 3.46Å; I210-G212 VanDerWaalsContact C-N 3.34Å; I210-G212 PolarHBondContact O-N 2.93Å; G212-L214 PolarHBondContact O-N 2.88Å; G212-G215 PolarHBondContact O-N 2.92Å; G212-S216 PolarHBondContact O-N 3.29Å |
| 213 | G | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 7% | 0.072 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -48 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112 | I209 I210 G215 S216 L217 | I209-G213 PolarHBondContact O-N 3.33Å; I210-G213 PolarHBondContact O-N 3.45Å; G213-G215 PolarHBondContact O-N 3.03Å; G213-S216 PolarHBondContact O-N 3.17Å; G213-L217 VanDerWaalsContact O-CG 3.28Å; G213-L217 WeakPolarHBondContact O-CG 3.02Å; G213-L217 PolarHBondContact O-N 3.1Å |
| 214 | L | 98.6 | Very high | 97.6 | Very high | 77 Ų | 77 | 43.4 Ų | 43.4 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.8 | -70.6 | 176.4 | 0 | 0 | 0 | 112.5 | I135 L139 I210 G211 G212 L217 L218 | I135-L214 HydrophobicContact CG2-CD1 4.09Å; L139-L214 HydrophobicContact CD1-CB 4.05Å; I210-L214 HydrophobicContact CG2-CD1 3.83Å; I210-L214 HydrophobicContact CG2-CG 4.23Å; I210-L214 WeakPolarHBondContact O-CB 3.41Å; I210-L214 VanDerWaalsContact O-CG 3.31Å; I210-L214 WeakPolarHBondContact O-CG 3.43Å; I210-L214 PolarHBondContact O-N 2.98Å; G211-L214 PolarHBondContact O-N 3.24Å; G212-L214 PolarHBondContact O-N 2.88Å; L214-L217 PolarHBondContact O-N 2.85Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.45Å |
| 215 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G211 G212 G213 Y219 | G211-G215 PolarHBondContact O-N 3.24Å; G212-G215 PolarHBondContact O-N 2.92Å; G213-G215 PolarHBondContact O-N 3.03Å; G215-Y219 PolarHBondContact O-N 3.09Å; G215-Y219 VanDerWaalsContact O-N 3.1Å |
| 216 | S | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | A74 G78 F146 G212 G213 L218 Y219 D220 | A74-S216 WeakPolarHBondContact O-CB 3.26Å; A74-S216 PolarHBondContact O-OG 2.86Å; G78-S216 WeakPolarHBondContact CA-OG 3.1Å; G78-S216 PolarHBondContact N-OG 2.9Å; F146-S216 WeakPolarHBondContact CE1-OG 3.16Å; F146-S216 WeakPolarHBondContact CZ-OG 3.31Å; G212-S216 PolarHBondContact O-N 3.29Å; G213-S216 PolarHBondContact O-N 3.17Å; S216-L218 PolarHBondContact O-N 2.94Å; S216-Y219 PolarHBondContact O-N 3.19Å; S216-D220 WeakPolarHBondContact O-CB 3.15Å; S216-D220 PolarHBondContact O-N 3.15Å |
| 217 | L | 97.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 50.2 Ų | 50.2 | 40% | 0.398 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | -179.3 | -69.5 | 176.1 | 0 | 0 | 0 | 111.9 | V77 G213 L214 Y219 F221 | V77-L217 HydrophobicContact CG1-CD2 3.95Å; V77-L217 HydrophobicContact CG1-CG 4.2Å; G213-L217 VanDerWaalsContact O-CG 3.28Å; G213-L217 WeakPolarHBondContact O-CG 3.02Å; G213-L217 PolarHBondContact O-N 3.1Å; L214-L217 PolarHBondContact O-N 2.85Å; L217-Y219 VanDerWaalsContact C-N 3.31Å; L217-Y219 PolarHBondContact O-N 2.79Å; L217-F221 HydrophobicContact CB-CD2 4.5Å; L217-F221 HydrophobicContact CD2-CD2 3.77Å; L217-F221 HydrophobicContact CD2-CE2 3.54Å; L217-F221 HydrophobicContact CD2-CZ 4.46Å; L217-F221 WeakPolarHBondContact O-CB 3.24Å; L217-F221 PolarHBondContact O-N 3.41Å |
| 218 | L | 97.8 | Very high | 95.9 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 29% | 0.293 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -59.2 | -43.4 | 178.3 | 179.2 | 63 | 0 | 0 | 0 | 111.1 | L139 L143 L214 S216 L222 L223 | L139-L218 HydrophobicContact CD2-CD2 4.23Å; L143-L218 HydrophobicContact CD2-CD2 4.26Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.45Å; S216-L218 PolarHBondContact O-N 2.94Å; L218-L222 HydrophobicContact CD1-CB 4.29Å; L218-L222 HydrophobicContact CD1-CD2 3.67Å; L218-L222 WeakPolarHBondContact O-CB 3.03Å; L218-L222 PolarHBondContact O-N 2.93Å; L218-L223 HydrophobicContact CD1-CD1 4.37Å; L218-L223 HydrophobicContact CD1-CG 4.23Å; L218-L223 HydrophobicContact CD2-CD1 4.22Å; L218-L223 HydrophobicContact CG-CD1 3.82Å; L218-L223 HydrophobicContact CG-CG 4.13Å; L218-L223 PolarHBondContact O-N 2.87Å |
| 219 | Y | 97.5 | Very high | 95.5 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -72.4 | -55.9 | 179.2 | -167.5 | -98.5 | 0 | 0 | 0 | 112.5 | L143 F146 A147 D150 G215 S216 L217 F221 L223 F224 | L143-Y219 HydrophobicContact CD1-CD2 3.76Å; L143-Y219 HydrophobicContact CD1-CG 4.33Å; F146-Y219 HydrophobicContact CB-CD1 3.75Å; F146-Y219 HydrophobicContact CB-CD2 4.41Å; F146-Y219 HydrophobicContact CB-CE1 4.29Å; F146-Y219 HydrophobicContact CB-CG 3.8Å; F146-Y219 HydrophobicContact CD1-CD1 4.01Å; F146-Y219 HydrophobicContact CD1-CG 4.44Å; F146-Y219 HydrophobicContact CG-CD1 4.4Å; A147-Y219 HydrophobicContact CB-CD2 4.17Å; A147-Y219 HydrophobicContact CB-CE2 3.56Å; D150-Y219 HydrophobicContact CB-CE1 4.08Å; D150-Y219 WeakPolarHBondContact CB-OH 3.41Å; D150-Y219 WeakPolarHBondContact OD2-CE1 3.42Å; D150-Y219 PolarHBondContact OD2-OH 3.48Å; G215-Y219 PolarHBondContact O-N 3.09Å; G215-Y219 VanDerWaalsContact O-N 3.1Å; S216-Y219 PolarHBondContact O-N 3.19Å; L217-Y219 VanDerWaalsContact C-N 3.31Å; L217-Y219 PolarHBondContact O-N 2.79Å; Y219-F221 PolarHBondContact O-N 3.22Å; Y219-L223 HydrophobicContact CD2-CB 4.47Å; Y219-L223 PolarHBondContact O-N 2.81Å; Y219-F224 HydrophobicContact CE1-CB 4.14Å; Y219-F224 HydrophobicContact CE2-CB 4.02Å; Y219-F224 CarbonylContact O-C 3.51Å; Y219-F224 PolarHBondContact O-N 3.16Å |
| 220 | D | 94.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -76.3 | -17 | -169.4 | -80.8 | -18.1 | 0 | 0 | 0 | 114.1 | G78 F146 S216 P225 R226 | G78-D220 WeakPolarHBondContact CA-OD2 3.22Å; F146-D220 WeakPolarHBondContact CE1-OD2 3.37Å; S216-D220 WeakPolarHBondContact O-CB 3.15Å; S216-D220 PolarHBondContact O-N 3.15Å; D220-P225 CarbonylContact O-C 3.59Å; D220-P225 VanDerWaalsContact O-CA 3.24Å; D220-P225 WeakPolarHBondContact O-CA 3.36Å; D220-R226 HydrophobicContact CB-CB 4.45Å; D220-R226 PolarHBondContact O-N 2.96Å; D220-R226 IonicContact OD1-NE 2.96Å |
| 221 | F | 93.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 60.6 Ų | 60.6 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -116.4 | -22.4 | 179.7 | -65.3 | -93.7 | 0 | 0 | 0 | 114.4 | L217 Y219 R233 | L217-F221 HydrophobicContact CB-CD2 4.5Å; L217-F221 HydrophobicContact CD2-CD2 3.77Å; L217-F221 HydrophobicContact CD2-CE2 3.54Å; L217-F221 HydrophobicContact CD2-CZ 4.46Å; L217-F221 WeakPolarHBondContact O-CB 3.24Å; L217-F221 PolarHBondContact O-N 3.41Å; Y219-F221 PolarHBondContact O-N 3.22Å; F221-R233 VanDerWaalsContact CZ-NH2 3.3Å |
| 222 | L | 96.1 | Very high | 94.4 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 67% | 0.665 | 34% | 0.341 | S | S | * | . | I | π-helix | trans | -116.2 | -60.1 | -177.1 | -169.9 | 68.7 | 0 | 0 | 0 | 112.9 | L218 | L218-L222 HydrophobicContact CD1-CB 4.29Å; L218-L222 HydrophobicContact CD1-CD2 3.67Å; L218-L222 WeakPolarHBondContact O-CB 3.03Å; L218-L222 PolarHBondContact O-N 2.93Å |
| 223 | L | 96.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 67 Ų | 67 | 51% | 0.508 | 35% | 0.347 | S | S | . | . | I | π-helix | trans | -76.9 | -44.4 | -168.6 | -63.2 | 175.8 | 0 | 0 | 0 | 113.3 | L143 L218 Y219 | L143-L223 HydrophobicContact CD1-CD1 3.65Å; L143-L223 HydrophobicContact CD2-CD1 4.31Å; L218-L223 HydrophobicContact CD1-CD1 4.37Å; L218-L223 HydrophobicContact CD1-CG 4.23Å; L218-L223 HydrophobicContact CD2-CD1 4.22Å; L218-L223 HydrophobicContact CG-CD1 3.82Å; L218-L223 HydrophobicContact CG-CG 4.13Å; L218-L223 PolarHBondContact O-N 2.87Å; Y219-L223 HydrophobicContact CD2-CB 4.47Å; Y219-L223 PolarHBondContact O-N 2.81Å |
| 224 | F | 95.1 | Very high | 93.8 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 38% | 0.382 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -142.7 | 74 | 179.2 | -160.2 | -110.8 | 0 | 0 | 0 | 110.9 | D150 R152 Y219 R226 | D150-F224 VanDerWaalsContact OD2-CD1 3.31Å; D150-F224 WeakPolarHBondContact OD2-CD1 3.45Å; R152-F224 HydrophobicContact CB-CE1 3.63Å; R152-F224 HydrophobicContact CB-CZ 4.26Å; R152-F224 VanDerWaalsContact NH2-CD1 3.32Å; R152-F224 PolarHBondContact NH2-O 2.87Å; Y219-F224 HydrophobicContact CE1-CB 4.14Å; Y219-F224 HydrophobicContact CE2-CB 4.02Å; Y219-F224 CarbonylContact O-C 3.51Å; Y219-F224 PolarHBondContact O-N 3.16Å; F224-R226 PolarHBondContact O-N 3.31Å |
| 225 | P | 93.6 | Very high | 93.5 | Very high | 62 Ų | 62 | 69 Ų | 69 | 40% | 0.403 | 36% | 0.36 | S | S | . | . | trans | -54.7 | 131.6 | -163.4 | -29.2 | 36.1 | 0 | 0 | 0 | 114.1 | R152 D220 L227 | R152-P225 PolarHBondContact NH1-O 3.27Å; D220-P225 CarbonylContact O-C 3.59Å; D220-P225 VanDerWaalsContact O-CA 3.24Å; D220-P225 WeakPolarHBondContact O-CA 3.36Å; P225-L227 HydrophobicContact CB-CD2 4.46Å | ||
| 226 | R | 90.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 21% | 0.211 | 37% | 0.373 | C | S | . | . | trans | -103.3 | 94.1 | 172 | -166.5 | 179.2 | -68.4 | -96 | -1.5 | 109.1 | D150 D220 F224 K228 R233 | D150-R226 VanDerWaalsContact CG-NH2 3.27Å; D150-R226 IonicContact OD1-CZ 3.94Å; D150-R226 IonicContact OD1-NH2 3.87Å; D150-R226 PolarHBondContact OD1-NH2 3.47Å; D150-R226 IonicContact OD2-NH2 3.6Å; D150-R226 PolarHBondContact OD2-NH2 3.09Å; D220-R226 HydrophobicContact CB-CB 4.45Å; D220-R226 PolarHBondContact O-N 2.96Å; D220-R226 IonicContact OD1-NE 2.96Å; F224-R226 PolarHBondContact O-N 3.31Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 HydrophobicContact CG-CD 4.49Å; R226-K228 HydrophobicContact CG-CG 4.31Å; R226-K228 PolarHBondContact O-N 2.94Å; R226-R233 PolarHBondContact O-NH2 2.98Å | ||
| 227 | L | 86.9 | Confident | 93.1 | Very high | 164 Ų | 164 | 73.7 Ų | 73.7 | 86% | 0.859 | 39% | 0.386 | S | S | * | . | trans | -74.4 | 80.8 | -177.6 | -59.8 | 177.1 | 0 | 0 | 0 | 110.7 | P225 | P225-L227 HydrophobicContact CB-CD2 4.46Š| ||
| 228 | K | 87.6 | Confident | 92.9 | Very high | 52 Ų | 52 | 79.3 Ų | 79.3 | 23% | 0.226 | 40% | 0.402 | C | S | . | . | trans | -97.2 | 131.8 | 167.4 | -71.5 | 174 | 173.9 | 168.7 | 0 | 109.9 | S79 R226 E232 R233 | S79-K228 PolarHBondContact O-NZ 3.25Å; R226-K228 VanDerWaalsContact C-N 3.3Å; R226-K228 HydrophobicContact CG-CD 4.49Å; R226-K228 HydrophobicContact CG-CG 4.31Å; R226-K228 PolarHBondContact O-N 2.94Å; K228-E232 WeakPolarHBondContact CA-OE2 3.16Å; K228-E232 HydrophobicContact CB-CB 4.36Å; K228-R233 HydrophobicContact CB-CG 3.77Å; K228-R233 HydrophobicContact CD-CG 4.42Å; K228-R233 PolarHBondContact O-NE 3.19Å | ||
| 229 | S | 91.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 77.2 Ų | 77.2 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | trans | -62.4 | 159.7 | 168.9 | 70.8 | 0 | 0 | 0 | 0 | 111.2 | S231 E232 R233 | S229-S231 PolarHBondContact O-N 3.49Å; S229-E232 PolarHBondContact N-OE2 2.89Å; S229-E232 PolarHBondContact O-N 3.48Å; S229-E232 VanDerWaalsContact OG-CG 3.26Å; S229-E232 WeakPolarHBondContact OG-CG 3.41Å; S229-E232 PolarHBondContact OG-N 3.35Å; S229-E232 PolarHBondContact OG-OE2 3.27Å; S229-R233 WeakPolarHBondContact O-CG 3.2Å; S229-R233 PolarHBondContact O-N 3.34Å | ||
| 230 | I | 90 | Very high | 91.9 | Very high | 136 Ų | 136 | 80.6 Ų | 80.6 | 70% | 0.697 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -59.2 | -38 | 176.8 | -64.1 | 173.1 | 0 | 0 | 0 | 110.7 | R233 L234 | I230-R233 PolarHBondContact O-N 3.08Å; I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.29Å; I230-L234 WeakPolarHBondContact O-CB 3.49Å; I230-L234 VanDerWaalsContact O-CG 3.3Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.29Å |
| 231 | S | 92 | Very high | 90.9 | Very high | 90 Ų | 90 | 85.7 Ų | 85.7 | 63% | 0.629 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.2 | -47 | 177.7 | -170.3 | 0 | 0 | 0 | 0 | 111.7 | S229 R233 L234 S235 | S229-S231 PolarHBondContact O-N 3.49Å; S231-R233 PolarHBondContact O-N 3.4Å; S231-L234 PolarHBondContact O-N 3.01Å; S231-S235 WeakPolarHBondContact O-CB 3.32Å; S231-S235 PolarHBondContact O-N 3.19Å |
| 232 | E | 91.7 | Very high | 89.6 | Confident | 96 Ų | 96 | 84.8 Ų | 84.8 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.3 | -70.3 | 164.4 | 150.8 | 0 | 0 | 112.3 | K228 S229 S235 V236 | K228-E232 WeakPolarHBondContact CA-OE2 3.16Å; K228-E232 HydrophobicContact CB-CB 4.36Å; S229-E232 PolarHBondContact N-OE2 2.89Å; S229-E232 PolarHBondContact O-N 3.48Å; S229-E232 VanDerWaalsContact OG-CG 3.26Å; S229-E232 WeakPolarHBondContact OG-CG 3.41Å; S229-E232 PolarHBondContact OG-N 3.35Å; S229-E232 PolarHBondContact OG-OE2 3.27Å; E232-S235 WeakPolarHBondContact CA-OG 3.23Å; E232-S235 PolarHBondContact O-N 3.33Å; E232-S235 PolarHBondContact O-OG 3.37Å; E232-V236 WeakPolarHBondContact O-CG2 3.24Å; E232-V236 PolarHBondContact O-N 2.76Å; E232-V236 VanDerWaalsContact O-N 3.08Å |
| 233 | R | 91.4 | Very high | 87.9 | Confident | 38 Ų | 38 | 87.5 Ų | 87.5 | 14% | 0.143 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 175.3 | -68.3 | 178.7 | 178.1 | -91.7 | 4.3 | 110.9 | S79 F221 R226 K228 S229 I230 S231 S235 V236 L237 | S79-R233 PolarHBondContact OG-NH1 2.82Å; S79-R233 VanDerWaalsContact OG-NH1 3.14Å; F221-R233 VanDerWaalsContact CZ-NH2 3.3Å; R226-R233 PolarHBondContact O-NH2 2.98Å; K228-R233 HydrophobicContact CB-CG 3.77Å; K228-R233 HydrophobicContact CD-CG 4.42Å; K228-R233 PolarHBondContact O-NE 3.19Å; S229-R233 WeakPolarHBondContact O-CG 3.2Å; S229-R233 PolarHBondContact O-N 3.34Å; I230-R233 PolarHBondContact O-N 3.08Å; S231-R233 PolarHBondContact O-N 3.4Å; R233-S235 VanDerWaalsContact C-N 3.34Å; R233-S235 PolarHBondContact O-N 2.94Å; R233-V236 PolarHBondContact O-N 3.18Å; R233-L237 VanDerWaalsContact O-CG 3.26Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 3.25Å |
| 234 | L | 92.3 | Very high | 85.6 | Confident | 82 Ų | 82 | 88.6 Ų | 88.6 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 178.4 | -70.7 | 173.5 | 0 | 0 | 0 | 112.4 | I230 S231 R238 | I230-L234 HydrophobicContact CG2-CD1 3.87Å; I230-L234 HydrophobicContact CG2-CG 4.29Å; I230-L234 WeakPolarHBondContact O-CB 3.49Å; I230-L234 VanDerWaalsContact O-CG 3.3Å; I230-L234 WeakPolarHBondContact O-CG 3.37Å; I230-L234 PolarHBondContact O-N 3.29Å; S231-L234 PolarHBondContact O-N 3.01Å; L234-R238 WeakPolarHBondContact O-CB 3.39Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.38Å; L234-R238 PolarHBondContact O-N 3.33Å |
| 235 | S | 92.9 | Very high | 82.9 | Confident | 45 Ų | 45 | 90 Ų | 90 | 32% | 0.315 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -43.1 | 177.1 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | S231 E232 R233 R238 G239 V240 | S231-S235 WeakPolarHBondContact O-CB 3.32Å; S231-S235 PolarHBondContact O-N 3.19Å; E232-S235 WeakPolarHBondContact CA-OG 3.23Å; E232-S235 PolarHBondContact O-N 3.33Å; E232-S235 PolarHBondContact O-OG 3.37Å; R233-S235 VanDerWaalsContact C-N 3.34Å; R233-S235 PolarHBondContact O-N 2.94Å; S235-R238 PolarHBondContact O-N 3.11Å; S235-G239 PolarHBondContact O-N 3.38Å; S235-V240 PolarHBondContact O-N 3.07Å |
| 236 | V | 93.3 | Very high | 80.2 | Confident | 43 Ų | 43 | 93.2 Ų | 93.2 | 26% | 0.261 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 111 | S79 S82 E232 R233 R238 G239 | S79-V236 VanDerWaalsContact O-CG1 3.3Å; S79-V236 WeakPolarHBondContact O-CG1 3.27Å; S82-V236 VanDerWaalsContact CA-O 3.29Å; S82-V236 WeakPolarHBondContact CA-O 3.49Å; S82-V236 WeakPolarHBondContact CB-O 3.28Å; E232-V236 WeakPolarHBondContact O-CG2 3.24Å; E232-V236 PolarHBondContact O-N 2.76Å; E232-V236 VanDerWaalsContact O-N 3.08Å; R233-V236 PolarHBondContact O-N 3.18Å; V236-R238 VanDerWaalsContact C-N 3.27Å; V236-R238 PolarHBondContact O-N 2.84Å; V236-G239 PolarHBondContact O-N 3.46Å |
| 237 | L | 93.4 | Very high | 77.6 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 28% | 0.283 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.8 | -34.6 | -178.5 | -70.1 | 174.7 | 0 | 0 | 0 | 112.7 | L76 L83 R233 G239 | L76-L237 HydrophobicContact CD1-CD2 3.51Å; L76-L237 HydrophobicContact CG-CD2 4.25Å; L83-L237 PolarHBondContact N-O 3.18Å; R233-L237 VanDerWaalsContact O-CG 3.26Å; R233-L237 WeakPolarHBondContact O-CG 3.38Å; R233-L237 PolarHBondContact O-N 3.25Å; L237-G239 VanDerWaalsContact C-N 3.26Å; L237-G239 PolarHBondContact O-N 2.84Å |
| 238 | R | 92.4 | Very high | 74.8 | Confident | 194 Ų | 194 | 94.9 Ų | 94.9 | 73% | 0.732 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -10.5 | 174.7 | -72.6 | 176.7 | -180 | -176.7 | 1.1 | 113.6 | L234 S235 V236 V240 | L234-R238 WeakPolarHBondContact O-CB 3.39Å; L234-R238 VanDerWaalsContact O-CG 3.27Å; L234-R238 WeakPolarHBondContact O-CG 3.38Å; L234-R238 PolarHBondContact O-N 3.33Å; S235-R238 PolarHBondContact O-N 3.11Å; V236-R238 VanDerWaalsContact C-N 3.27Å; V236-R238 PolarHBondContact O-N 2.84Å; R238-V240 VanDerWaalsContact C-N 3.34Å; R238-V240 HydrophobicContact CB-CG2 4.05Å |
| 239 | G | 88.9 | Confident | 72.4 | Confident | 12 Ų | 12 | 97.9 Ų | 97.9 | 12% | 0.124 | 55% | 0.549 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 42 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | W2 S235 V236 L237 | W2-G239 PolarHBondContact NE1-O 3.26Å; S235-G239 PolarHBondContact O-N 3.38Å; V236-G239 PolarHBondContact O-N 3.46Å; L237-G239 VanDerWaalsContact C-N 3.26Å; L237-G239 PolarHBondContact O-N 2.84Å |
| 240 | V | 85.3 | Confident | 69.6 | Low | 88 Ų | 88 | 104.1 Ų | 104.1 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -66.1 | 135.2 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | S235 R238 | S235-V240 PolarHBondContact O-N 3.07Å; R238-V240 VanDerWaalsContact C-N 3.34Å; R238-V240 HydrophobicContact CB-CG2 4.05Å |
| 241 | K | 74 | Confident | 67 | Low | 108 Ų | 108 | 103.9 Ų | 103.9 | 47% | 0.47 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 128 | 177.6 | -163.9 | -168.1 | 179.8 | -150.7 | 0 | 107.1 | W2 E243 D244 | W2-K241 HydrophobicContact CD2-CB 4.35Å; W2-K241 HydrophobicContact CD2-CG 4.36Å; W2-K241 HydrophobicContact CG-CB 4.46Å; W2-K241 HydrophobicContact CZ2-CB 4.4Å; W2-K241 HydrophobicContact CZ2-CG 4.35Å; K241-E243 PolarHBondContact O-N 3.37Å; K241-D244 IonicContact NZ-OD1 3.7Å; K241-D244 IonicContact NZ-OD2 2.82Å; K241-D244 PolarHBondContact NZ-OD2 3.39Å |
| 242 | P | 66.7 | Low | 64.6 | Low | 93 Ų | 93 | 106 Ų | 106 | 60% | 0.604 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 134.6 | 168.9 | -15.3 | 26.4 | 0 | 0 | 0 | 107.8 | D244 | P242-D244 PolarHBondContact O-N 3.45Š|
| 243 | E | 60.8 | Low | 62 | Low | 184 Ų | 184 | 104.4 Ų | 104.4 | 86% | 0.86 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.5 | 168.5 | -71.6 | -173.9 | 165.4 | 0 | 0 | 107.3 | K241 S245 | K241-E243 PolarHBondContact O-N 3.37Å; E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 2.82Å |
| 244 | D | 46.8 | Very low | 59.2 | Low | 119 Ų | 119 | 111 Ų | 111 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | -62.7 | 95.5 | 176.9 | -65.8 | -49.7 | 0 | 0 | 0 | 106.9 | K241 P242 N246 | K241-D244 IonicContact NZ-OD1 3.7Å; K241-D244 IonicContact NZ-OD2 2.82Å; K241-D244 PolarHBondContact NZ-OD2 3.39Å; P242-D244 PolarHBondContact O-N 3.45Å; D244-N246 PolarHBondContact O-N 2.92Å | ||
| 245 | S | 40.1 | Very low | 56.5 | Low | 116 Ų | 116 | 113.1 Ų | 113.1 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -73.9 | 30.2 | -177.9 | 64.5 | 0 | 0 | 0 | 0 | 112.7 | E243 | E243-S245 VanDerWaalsContact C-N 3.29Å; E243-S245 PolarHBondContact O-N 2.82Å |
| 246 | N | 36.2 | Very low | 54 | Low | 130 Ų | 130 | 117.3 Ų | 117.3 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -154.5 | 109.5 | 166.7 | -95.3 | -22.7 | 0 | 0 | 0 | 107.6 | D244 Q248 | D244-N246 PolarHBondContact O-N 2.92Å; N246-Q248 PolarHBondContact O-N 2.78Å |
| 247 | G | 35.4 | Very low | 51.2 | Low | 90 Ų | 90 | 124 Ų | 124 | 93% | 0.928 | 70% | 0.698 | S | S | * | * | trans | -68.3 | 65.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 248 | Q | 28.8 | Very low | 48.5 | Very low | 166 Ų | 166 | 129.3 Ų | 129.3 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | -119.3 | 126.7 | 164.6 | -78 | -170.5 | -19.7 | 0 | 0 | 109.3 | N246 E250 | N246-Q248 PolarHBondContact O-N 2.78Å; Q248-E250 PolarHBondContact O-N 2.91Å | ||
| 249 | P | 36.1 | Very low | 45.6 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | trans | -62.9 | 136.6 | 176.2 | 25.8 | -31.8 | 0 | 0 | 0 | 110.1 | V251 | P249-V251 PolarHBondContact O-N 3.08Š| ||
| 250 | E | 33.5 | Very low | 43.4 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -59.4 | 99.8 | 175.8 | -154.1 | 173.3 | -161 | 0 | 0 | 108.8 | Q248 T252 | Q248-E250 PolarHBondContact O-N 2.91Å; E250-T252 PolarHBondContact O-N 2.87Å; E250-T252 VanDerWaalsContact O-N 3.08Å | ||
| 251 | V | 34.5 | Very low | 41.1 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -74.8 | 97.5 | 171.7 | -178.5 | 0 | 0 | 0 | 0 | 106.9 | P249 G253 | P249-V251 PolarHBondContact O-N 3.08Å; V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.48Å | ||
| 252 | T | 42.1 | Very low | 39.2 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -61 | 92.7 | 162.7 | 30.1 | 0 | 0 | 0 | 0 | 108.9 | E250 | E250-T252 PolarHBondContact O-N 2.87Å; E250-T252 VanDerWaalsContact O-N 3.08Å | ||
| 253 | G | 36.1 | Very low | 37.7 | Very low | 63 Ų | 63 | 145.7 Ų | 145.7 | 65% | 0.649 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | V251 | V251-G253 VanDerWaalsContact C-N 3.29Å; V251-G253 PolarHBondContact O-N 3.48Å |
| 254 | E | 34 | Very low | 36.6 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.822 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 154.3 | 170.8 | -74 | -176.8 | 153.9 | 0 | 0 | 112.5 | V256 | E254-V256 PolarHBondContact O-N 3.06Å; E254-V256 VanDerWaalsContact O-N 3.13Å |
| 255 | P | 35.4 | Very low | 36 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 116.4 | -177.4 | 24.7 | -31.9 | 0 | 0 | 0 | 111 | E257 | P255-E257 PolarHBondContact O-N 3.36Š|
| 256 | V | 39.1 | Very low | 35.8 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 81% | 0.806 | 84% | 0.843 | S | S | * | * | trans | -69 | 112.1 | 172.1 | 177.6 | 0 | 0 | 0 | 0 | 108.6 | E254 L258 | E254-V256 PolarHBondContact O-N 3.06Å; E254-V256 VanDerWaalsContact O-N 3.13Å; V256-L258 PolarHBondContact O-N 3.13Å | ||
| 257 | E | 36.2 | Very low | 35.8 | Very low | 185 Ų | 185 | 147.7 Ų | 147.7 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | trans | -60.7 | 119.9 | 166.7 | -73 | -175.5 | 154.5 | 0 | 0 | 109.5 | P255 N259 | P255-E257 PolarHBondContact O-N 3.36Å; E257-N259 PolarHBondContact O-N 3.21Å | ||
| 258 | L | 36.1 | Very low | 35.8 | Very low | 164 Ų | 164 | 151.3 Ų | 151.3 | 86% | 0.859 | 85% | 0.847 | S | S | * | * | trans | -72.2 | 95.4 | 174.3 | -83.8 | 158.5 | 0 | 0 | 0 | 109.4 | V256 T260 | V256-L258 PolarHBondContact O-N 3.13Å; L258-T260 PolarHBondContact O-N 2.99Å; L258-T260 VanDerWaalsContact O-N 3.09Å | ||
| 259 | N | 31.5 | Very low | 36.3 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | trans | -63.9 | 106.8 | 165.6 | -113 | -22 | 0 | 0 | 0 | 109 | E257 Q261 | E257-N259 PolarHBondContact O-N 3.21Å; N259-Q261 PolarHBondContact O-N 3.16Å | ||
| 260 | T | 43.7 | Very low | 36.3 | Very low | 133 Ų | 133 | 152.9 Ų | 152.9 | 82% | 0.816 | 86% | 0.859 | S | S | * | * | trans | -81.1 | 100.3 | 172.4 | -4.5 | 0 | 0 | 0 | 0 | 107.8 | L258 | L258-T260 PolarHBondContact O-N 2.99Å; L258-T260 VanDerWaalsContact O-N 3.09Å | ||
| 261 | Q | 35.4 | Very low | 36.5 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 86% | 0.858 | S | S | * | * | trans | -165.2 | 129.7 | 158.4 | -108.1 | 166.2 | 37.5 | 0 | 0 | 111.4 | N259 | N259-Q261 PolarHBondContact O-N 3.16Š| ||
| 262 | A | 34.5 | Very low | 36.6 | Very low | 96 Ų | 96 | 151.8 Ų | 151.8 | 79% | 0.793 | 86% | 0.864 | S | S | * | * | trans | 98.2 | 111.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 263 | L | 35.7 | Very low | 36.1 | Very low | 253 Ų | 253 | 153.4 Ų | 153.4 | 100% | 1.325 | 87% | 0.867 | S | S | * | * | trans | 83.1 | 0 | 157.1 | -63.2 | 165.5 | 0 | 0 | 0 | 118.4 |
Retrieved 263 of 263 residues in 774.2 ms
(Link to these results)