| 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 | 51.7 | Low | 49.4 | Very low | 208 Ų | 208 | 123.5 Ų | 123.5 | 100% | 1.025 | 57% | 0.572 | S | S | * | * | 0 | -43.8 | 0 | -111.8 | 170.2 | 118 | 0 | 0 | 113.4 | W3 R4 | M1-W3 PolarHBondContact O-N 3.22Å; M1-R4 PolarHBondContact O-N 2.86Å | |||
| 2 | I | 51.5 | Low | 49.5 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 74% | 0.744 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.5 | -37.5 | -174.4 | -65.8 | 154.2 | 0 | 0 | 0 | 114.4 | R4 I5 W6 | I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.03Å; I2-I5 PolarHBondContact O-N 3.38Å; I2-W6 PolarHBondContact O-N 3.02Å; I2-W6 VanDerWaalsContact O-N 3.12Å |
| 3 | W | 42.2 | Very low | 49.8 | Very low | 185 Ų | 185 | 120.1 Ų | 120.1 | 70% | 0.701 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -34.2 | -179.4 | -179.6 | 62.7 | 0 | 0 | 0 | 114 | M1 W6 I7 | M1-W3 PolarHBondContact O-N 3.22Å; W3-W6 PolarHBondContact O-N 3.21Å; W3-I7 HydrophobicContact CD2-CD1 3.85Å; W3-I7 VanDerWaalsContact CE2-CD1 3.43Å; W3-I7 HydrophobicContact CE3-CD1 4.25Å; W3-I7 HydrophobicContact CG-CD1 4.44Å; W3-I7 HydrophobicContact CH2-CD1 3.93Å; W3-I7 HydrophobicContact CZ2-CD1 3.49Å; W3-I7 VanDerWaalsContact CZ2-CD1 3.49Å; W3-I7 HydrophobicContact CZ3-CD1 4.28Å; W3-I7 WeakPolarHBondContact O-CG1 3.44Å; W3-I7 PolarHBondContact O-N 3.45Å |
| 4 | R | 44.3 | Very low | 50.2 | Low | 194 Ų | 194 | 116.3 Ų | 116.3 | 73% | 0.732 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.9 | -39.7 | 176.9 | -73.4 | -174 | 166.8 | -158.2 | -3.6 | 111.9 | M1 I2 W6 I7 T8 | M1-R4 PolarHBondContact O-N 2.86Å; I2-R4 VanDerWaalsContact C-N 3.31Å; I2-R4 PolarHBondContact O-N 3.03Å; R4-W6 VanDerWaalsContact C-N 3.31Å; R4-W6 PolarHBondContact O-N 3.04Å; R4-I7 PolarHBondContact O-N 3.44Å; R4-T8 PolarHBondContact O-N 3.45Å; R4-T8 PolarHBondContact O-OG1 2.8Å |
| 5 | I | 46.5 | Very low | 50.3 | Low | 97 Ų | 97 | 114.7 Ų | 114.7 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 177.3 | -64 | 165.5 | 0 | 0 | 0 | 110 | I2 T8 I9 | I2-I5 PolarHBondContact O-N 3.38Å; I5-T8 PolarHBondContact O-N 2.77Å; I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.29Å; I5-I9 PolarHBondContact O-N 3.11Å |
| 6 | W | 52 | Low | 50.3 | Low | 155 Ų | 155 | 115.4 Ų | 115.4 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60 | -47.2 | 175.7 | -175.7 | -101.2 | 0 | 0 | 0 | 112.3 | I2 W3 R4 T8 I9 Q10 | I2-W6 PolarHBondContact O-N 3.02Å; I2-W6 VanDerWaalsContact O-N 3.12Å; W3-W6 PolarHBondContact O-N 3.21Å; R4-W6 VanDerWaalsContact C-N 3.31Å; R4-W6 PolarHBondContact O-N 3.04Å; W6-T8 VanDerWaalsContact C-N 3.34Å; W6-T8 PolarHBondContact O-N 3.3Å; W6-I9 PolarHBondContact O-N 2.92Å; W6-Q10 VanDerWaalsContact O-CG 3.3Å; W6-Q10 WeakPolarHBondContact O-CG 3.27Å; W6-Q10 PolarHBondContact O-N 3.46Å |
| 7 | I | 48.7 | Very low | 50.5 | Low | 64 Ų | 64 | 113.8 Ų | 113.8 | 33% | 0.328 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 177.6 | -69.1 | 168.1 | 0 | 0 | 0 | 111.4 | W3 R4 I9 Q10 L11 | W3-I7 HydrophobicContact CD2-CD1 3.85Å; W3-I7 VanDerWaalsContact CE2-CD1 3.43Å; W3-I7 HydrophobicContact CE3-CD1 4.25Å; W3-I7 HydrophobicContact CG-CD1 4.44Å; W3-I7 HydrophobicContact CH2-CD1 3.93Å; W3-I7 HydrophobicContact CZ2-CD1 3.49Å; W3-I7 VanDerWaalsContact CZ2-CD1 3.49Å; W3-I7 HydrophobicContact CZ3-CD1 4.28Å; W3-I7 WeakPolarHBondContact O-CG1 3.44Å; W3-I7 PolarHBondContact O-N 3.45Å; R4-I7 PolarHBondContact O-N 3.44Å; I7-I9 PolarHBondContact O-N 3.48Å; I7-Q10 PolarHBondContact O-N 2.86Å; I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 WeakPolarHBondContact O-CB 3.31Å; I7-L11 PolarHBondContact O-N 3.19Å |
| 8 | T | 49.7 | Very low | 50.6 | Low | 92 Ų | 92 | 111.1 Ų | 111.1 | 56% | 0.564 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 178.4 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | R4 I5 W6 L11 F12 | R4-T8 PolarHBondContact O-N 3.45Å; R4-T8 PolarHBondContact O-OG1 2.8Å; I5-T8 PolarHBondContact O-N 2.77Å; W6-T8 VanDerWaalsContact C-N 3.34Å; W6-T8 PolarHBondContact O-N 3.3Å; T8-L11 PolarHBondContact O-N 3.39Å; T8-F12 WeakPolarHBondContact O-CB 3.35Å; T8-F12 PolarHBondContact O-N 2.97Å |
| 9 | I | 54.3 | Low | 50.5 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 176.2 | -67.5 | 165.5 | 0 | 0 | 0 | 110.1 | I5 W6 I7 L11 F12 V13 | I5-I9 HydrophobicContact CG2-CD1 3.89Å; I5-I9 VanDerWaalsContact O-CG1 3.32Å; I5-I9 WeakPolarHBondContact O-CG1 3.29Å; I5-I9 PolarHBondContact O-N 3.11Å; W6-I9 PolarHBondContact O-N 2.92Å; I7-I9 PolarHBondContact O-N 3.48Å; I9-L11 PolarHBondContact O-N 3.32Å; I9-F12 PolarHBondContact O-N 2.75Å; I9-V13 HydrophobicContact CG2-CG2 4.46Å; I9-V13 VanDerWaalsContact O-CG2 3.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 2.81Å |
| 10 | Q | 50.1 | Low | 50.6 | Low | 40 Ų | 40 | 110 Ų | 110 | 19% | 0.187 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 177.2 | -67.1 | -65.6 | -36.1 | 0 | 0 | 111.8 | W6 I7 F12 V13 I14 | W6-Q10 VanDerWaalsContact O-CG 3.3Å; W6-Q10 WeakPolarHBondContact O-CG 3.27Å; W6-Q10 PolarHBondContact O-N 3.46Å; I7-Q10 PolarHBondContact O-N 2.86Å; Q10-F12 PolarHBondContact O-N 3.07Å; Q10-V13 PolarHBondContact O-N 2.98Å; Q10-I14 WeakPolarHBondContact O-CD1 3.45Å; Q10-I14 WeakPolarHBondContact O-CG1 3.25Å; Q10-I14 PolarHBondContact O-N 2.98Å |
| 11 | L | 51.8 | Low | 50.4 | Low | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174.9 | -83.3 | 161.6 | 0 | 0 | 0 | 112.4 | I7 T8 I9 I14 I15 | I7-L11 HydrophobicContact CG2-CD1 3.83Å; I7-L11 WeakPolarHBondContact O-CB 3.31Å; I7-L11 PolarHBondContact O-N 3.19Å; T8-L11 PolarHBondContact O-N 3.39Å; I9-L11 PolarHBondContact O-N 3.32Å; L11-I14 PolarHBondContact O-N 3.22Å; L11-I15 WeakPolarHBondContact O-CB 3.38Å; L11-I15 VanDerWaalsContact O-CG1 3.25Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 2.58Å |
| 12 | F | 51.4 | Low | 50.1 | Low | 145 Ų | 145 | 100.8 Ų | 100.8 | 64% | 0.636 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.4 | -43.2 | 177.5 | -174.4 | -94.1 | 0 | 0 | 0 | 111.8 | T8 I9 Q10 I15 Y16 | T8-F12 WeakPolarHBondContact O-CB 3.35Å; T8-F12 PolarHBondContact O-N 2.97Å; I9-F12 PolarHBondContact O-N 2.75Å; Q10-F12 PolarHBondContact O-N 3.07Å; F12-I15 PolarHBondContact O-N 3.23Å; F12-Y16 VanDerWaalsContact O-CB 3.31Å; F12-Y16 WeakPolarHBondContact O-CB 3.28Å; F12-Y16 PolarHBondContact O-N 3Å |
| 13 | V | 52.9 | Low | 49.6 | Very low | 57 Ų | 57 | 100 Ų | 100 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 175.2 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | I9 Q10 I15 Y16 F17 | I9-V13 HydrophobicContact CG2-CG2 4.46Å; I9-V13 VanDerWaalsContact O-CG2 3.29Å; I9-V13 WeakPolarHBondContact O-CG2 3.14Å; I9-V13 PolarHBondContact O-N 2.81Å; Q10-V13 PolarHBondContact O-N 2.98Å; V13-I15 PolarHBondContact O-N 3.34Å; V13-Y16 PolarHBondContact O-N 3.41Å; V13-F17 HydrophobicContact CG1-CD2 3.64Å; V13-F17 HydrophobicContact CG1-CE2 3.78Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 2.92Å |
| 14 | I | 54.9 | Low | 49.6 | Very low | 67 Ų | 67 | 94.9 Ų | 94.9 | 34% | 0.344 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 177 | -68.2 | 162.7 | 0 | 0 | 0 | 111.1 | Q10 L11 F17 T18 | Q10-I14 WeakPolarHBondContact O-CD1 3.45Å; Q10-I14 WeakPolarHBondContact O-CG1 3.25Å; Q10-I14 PolarHBondContact O-N 2.98Å; L11-I14 PolarHBondContact O-N 3.22Å; I14-F17 PolarHBondContact O-N 3.37Å; I14-T18 WeakPolarHBondContact O-CB 3.05Å; I14-T18 PolarHBondContact O-N 2.84Å; I14-T18 PolarHBondContact O-OG1 3.34Å |
| 15 | I | 52.6 | Low | 49.5 | Very low | 92 Ų | 92 | 87.9 Ų | 87.9 | 47% | 0.472 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 179.4 | -67.5 | 164.8 | 0 | 0 | 0 | 111.1 | L11 F12 V13 T18 N19 | L11-I15 WeakPolarHBondContact O-CB 3.38Å; L11-I15 VanDerWaalsContact O-CG1 3.25Å; L11-I15 WeakPolarHBondContact O-CG1 3.46Å; L11-I15 PolarHBondContact O-N 2.58Å; F12-I15 PolarHBondContact O-N 3.23Å; V13-I15 PolarHBondContact O-N 3.34Å; I15-T18 PolarHBondContact O-N 2.72Å; I15-N19 WeakPolarHBondContact O-CB 3.42Å; I15-N19 PolarHBondContact O-N 2.76Å; I15-N19 PolarHBondContact O-ND2 3.4Å |
| 16 | Y | 49.8 | Very low | 49.4 | Very low | 127 Ų | 127 | 86.7 Ų | 86.7 | 50% | 0.498 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.8 | -177.1 | -92.6 | 0 | 0 | 0 | 111.7 | F12 V13 T18 N19 K20 | F12-Y16 VanDerWaalsContact O-CB 3.31Å; F12-Y16 WeakPolarHBondContact O-CB 3.28Å; F12-Y16 PolarHBondContact O-N 3Å; V13-Y16 PolarHBondContact O-N 3.41Å; Y16-T18 VanDerWaalsContact C-N 3.33Å; Y16-N19 PolarHBondContact O-N 3.49Å; Y16-K20 HydrophobicContact CE1-CG 4.15Å; Y16-K20 WeakPolarHBondContact O-CB 3.45Å; Y16-K20 PolarHBondContact O-N 2.9Å |
| 17 | F | 53.7 | Low | 49.1 | Very low | 88 Ų | 88 | 90 Ų | 90 | 39% | 0.386 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.1 | -27 | 176.7 | -80.4 | -74.5 | 0 | 0 | 0 | 112.8 | V13 I14 G21 I88 | V13-F17 HydrophobicContact CG1-CD2 3.64Å; V13-F17 HydrophobicContact CG1-CE2 3.78Å; V13-F17 VanDerWaalsContact O-CD2 3.27Å; V13-F17 WeakPolarHBondContact O-CD2 3.42Å; V13-F17 PolarHBondContact O-N 2.92Å; I14-F17 PolarHBondContact O-N 3.37Å; F17-G21 WeakPolarHBondContact O-CA 3.49Å; F17-G21 PolarHBondContact O-N 3.49Å; F17-I88 HydrophobicContact CD1-CD1 3.7Å; F17-I88 HydrophobicContact CD1-CG1 4.46Å; F17-I88 HydrophobicContact CE1-CD1 3.81Å; F17-I88 HydrophobicContact CG-CD1 4.18Å; F17-I88 HydrophobicContact CZ-CD1 4.36Å |
| 18 | T | 52.9 | Low | 48.9 | Very low | 65 Ų | 65 | 91.4 Ų | 91.4 | 40% | 0.399 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70 | -45.6 | 172.5 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | I14 I15 Y16 G21 I22 | I14-T18 WeakPolarHBondContact O-CB 3.05Å; I14-T18 PolarHBondContact O-N 2.84Å; I14-T18 PolarHBondContact O-OG1 3.34Å; I15-T18 PolarHBondContact O-N 2.72Å; Y16-T18 VanDerWaalsContact C-N 3.33Å; T18-G21 CarbonylContact O-C 3.6Å; T18-G21 PolarHBondContact O-N 2.86Å; T18-I22 HydrophobicContact CG2-CD1 3.52Å; T18-I22 HydrophobicContact CG2-CG1 4.25Å; T18-I22 VanDerWaalsContact O-CB 3.25Å; T18-I22 WeakPolarHBondContact O-CB 3.32Å; T18-I22 WeakPolarHBondContact O-CD1 3.12Å; T18-I22 WeakPolarHBondContact O-CG1 3.35Å; T18-I22 PolarHBondContact O-N 2.74Å |
| 19 | N | 48.6 | Very low | 48.6 | Very low | 98 Ų | 98 | 92.8 Ų | 92.8 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 177.6 | -76.4 | -35.7 | 0 | 0 | 0 | 112.3 | I15 Y16 I22 E23 | I15-N19 WeakPolarHBondContact O-CB 3.42Å; I15-N19 PolarHBondContact O-N 2.76Å; I15-N19 PolarHBondContact O-ND2 3.4Å; Y16-N19 PolarHBondContact O-N 3.49Å; N19-I22 PolarHBondContact O-N 3.25Å; N19-E23 PolarHBondContact O-N 3.43Å; N19-E23 VanDerWaalsContact O-N 3.15Å |
| 20 | K | 52.3 | Low | 48.4 | Very low | 101 Ų | 101 | 97.9 Ų | 97.9 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70.2 | -38.9 | 174.4 | -74 | -66.9 | 174.7 | -161.1 | 0 | 112.7 | Y16 I22 E23 V24 | Y16-K20 HydrophobicContact CE1-CG 4.15Å; Y16-K20 WeakPolarHBondContact O-CB 3.45Å; Y16-K20 PolarHBondContact O-N 2.9Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 3.31Å; K20-E23 IonicContact NZ-OE2 3.16Å; K20-E23 PolarHBondContact NZ-OE2 3.47Å; K20-E23 VanDerWaalsContact NZ-OE2 3.16Å; K20-E23 PolarHBondContact O-N 2.76Å; K20-V24 VanDerWaalsContact O-CG2 3.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 3.49Å |
| 21 | G | 45.9 | Very low | 48.4 | Very low | 27 Ų | 27 | 98.1 Ų | 98.1 | 28% | 0.278 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F17 T18 S25 | F17-G21 WeakPolarHBondContact O-CA 3.49Å; F17-G21 PolarHBondContact O-N 3.49Å; T18-G21 CarbonylContact O-C 3.6Å; T18-G21 PolarHBondContact O-N 2.86Å; G21-S25 WeakPolarHBondContact O-CA 3.49Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 3.04Å; G21-S25 PolarHBondContact O-OG 3.33Å |
| 22 | I | 45.2 | Very low | 48.5 | Very low | 99 Ų | 99 | 98.8 Ų | 98.8 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.9 | -42 | 176.6 | -72.1 | 163.7 | 0 | 0 | 0 | 111.2 | T18 N19 K20 V24 S25 A26 | T18-I22 HydrophobicContact CG2-CD1 3.52Å; T18-I22 HydrophobicContact CG2-CG1 4.25Å; T18-I22 VanDerWaalsContact O-CB 3.25Å; T18-I22 WeakPolarHBondContact O-CB 3.32Å; T18-I22 WeakPolarHBondContact O-CD1 3.12Å; T18-I22 WeakPolarHBondContact O-CG1 3.35Å; T18-I22 PolarHBondContact O-N 2.74Å; N19-I22 PolarHBondContact O-N 3.25Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 3.31Å; I22-V24 VanDerWaalsContact C-N 3.3Å; I22-V24 PolarHBondContact O-N 3.26Å; I22-S25 PolarHBondContact O-N 3.44Å; I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 2.82Å |
| 23 | E | 42.3 | Very low | 48.6 | Very low | 129 Ų | 129 | 97.2 Ų | 97.2 | 60% | 0.603 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.7 | -39.1 | 173.5 | -82.7 | -174.6 | 147.6 | 0 | 0 | 112.1 | N19 K20 | N19-E23 PolarHBondContact O-N 3.43Å; N19-E23 VanDerWaalsContact O-N 3.15Å; K20-E23 IonicContact NZ-OE2 3.16Å; K20-E23 PolarHBondContact NZ-OE2 3.47Å; K20-E23 VanDerWaalsContact NZ-OE2 3.16Å; K20-E23 PolarHBondContact O-N 2.76Å |
| 24 | V | 42.6 | Very low | 48.4 | Very low | 77 Ų | 77 | 97 Ų | 97 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.7 | -46.3 | 175.1 | 175.9 | 0 | 0 | 0 | 0 | 110.2 | K20 I22 A26 R27 F28 | K20-V24 VanDerWaalsContact O-CG2 3.29Å; K20-V24 WeakPolarHBondContact O-CG2 3.29Å; K20-V24 PolarHBondContact O-N 3.49Å; I22-V24 VanDerWaalsContact C-N 3.3Å; I22-V24 PolarHBondContact O-N 3.26Å; V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.36Å; V24-R27 PolarHBondContact O-N 2.82Å; V24-F28 HydrophobicContact CG1-CD2 3.72Å; V24-F28 HydrophobicContact CG1-CE2 3.7Å; V24-F28 VanDerWaalsContact O-CD2 3.29Å; V24-F28 WeakPolarHBondContact O-CD2 3.35Å; V24-F28 PolarHBondContact O-N 2.84Å |
| 25 | S | 42.1 | Very low | 48.1 | Very low | 46 Ų | 46 | 98.9 Ų | 98.9 | 32% | 0.322 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -32.3 | -177 | -64.2 | 0 | 0 | 0 | 0 | 113.2 | G21 I22 R27 F28 Q29 | G21-S25 WeakPolarHBondContact O-CA 3.49Å; G21-S25 WeakPolarHBondContact O-CB 3.4Å; G21-S25 PolarHBondContact O-N 3.04Å; G21-S25 PolarHBondContact O-OG 3.33Å; I22-S25 PolarHBondContact O-N 3.44Å; S25-R27 PolarHBondContact O-N 3.15Å; S25-F28 PolarHBondContact O-N 3.41Å; S25-Q29 WeakPolarHBondContact O-CG 3.25Å; S25-Q29 PolarHBondContact O-N 3.21Å; S25-Q29 VanDerWaalsContact O-N 3.11Å |
| 26 | A | 42.9 | Very low | 48.2 | Very low | 72 Ų | 72 | 103.4 Ų | 103.4 | 60% | 0.595 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -23.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | I22 V24 | I22-A26 WeakPolarHBondContact O-CB 3.05Å; I22-A26 PolarHBondContact O-N 2.82Å; V24-A26 VanDerWaalsContact C-N 3.29Å; V24-A26 PolarHBondContact O-N 3.36Å |
| 27 | R | 45.6 | Very low | 48.5 | Very low | 226 Ų | 226 | 100.2 Ų | 100.2 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -92.2 | -12 | 173.4 | -72.1 | -165.7 | 173.7 | -156.2 | -0.7 | 114.3 | V24 S25 | V24-R27 PolarHBondContact O-N 2.82Å; S25-R27 PolarHBondContact O-N 3.15Å |
| 28 | F | 45.9 | Very low | 48.5 | Very low | 92 Ų | 92 | 101.2 Ų | 101.2 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -106.3 | -9.9 | -176.9 | -79.9 | -88 | 0 | 0 | 0 | 114.4 | V24 S25 E30 T31 F34 | V24-F28 HydrophobicContact CG1-CD2 3.72Å; V24-F28 HydrophobicContact CG1-CE2 3.7Å; V24-F28 VanDerWaalsContact O-CD2 3.29Å; V24-F28 WeakPolarHBondContact O-CD2 3.35Å; V24-F28 PolarHBondContact O-N 2.84Å; S25-F28 PolarHBondContact O-N 3.41Å; F28-E30 PolarHBondContact O-N 2.79Å; F28-T31 HydrophobicContact CD1-CG2 4.47Å; F28-T31 PolarHBondContact O-N 2.81Å; F28-T31 PolarHBondContact O-OG1 3.36Å; F28-F34 VanDerWaalsContact O-CB 3.31Å; F28-F34 WeakPolarHBondContact O-CB 3.29Å |
| 29 | Q | 43.1 | Very low | 48.8 | Very low | 122 Ų | 122 | 101.1 Ų | 101.1 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -12.9 | 179.6 | -84.9 | 176.2 | 4 | 0 | 0 | 115.1 | S25 F34 | S25-Q29 WeakPolarHBondContact O-CG 3.25Å; S25-Q29 PolarHBondContact O-N 3.21Å; S25-Q29 VanDerWaalsContact O-N 3.11Å; Q29-F34 HydrophobicContact CG-CD1 4.33Å; Q29-F34 HydrophobicContact CG-CE1 3.86Å; Q29-F34 HydrophobicContact CG-CE2 4.21Å; Q29-F34 HydrophobicContact CG-CZ 3.79Å |
| 30 | E | 50 | Low | 49.4 | Very low | 192 Ų | 192 | 100.3 Ų | 100.3 | 90% | 0.897 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.4 | 175.6 | -64.9 | -172.3 | 165.1 | 0 | 0 | 114.2 | F28 | F28-E30 PolarHBondContact O-N 2.79Š|
| 31 | T | 49.9 | Very low | 49.6 | Very low | 46 Ų | 46 | 99 Ų | 99 | 28% | 0.282 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -87.7 | 137.4 | 179.4 | 56 | 0 | 0 | 0 | 0 | 111.7 | F28 I33 F34 | F28-T31 HydrophobicContact CD1-CG2 4.47Å; F28-T31 PolarHBondContact O-N 2.81Å; F28-T31 PolarHBondContact O-OG1 3.36Å; T31-I33 PolarHBondContact O-N 3.36Å; T31-F34 VanDerWaalsContact O-CB 3.29Å; T31-F34 WeakPolarHBondContact O-CB 3.17Å; T31-F34 PolarHBondContact O-N 3.43Å |
| 32 | P | 52.9 | Low | 50.3 | Low | 107 Ų | 107 | 100.8 Ų | 100.8 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59 | -21.2 | 175 | 23.1 | -33.1 | 0 | 0 | 0 | 112.8 | F34 R36 | P32-F34 VanDerWaalsContact C-N 3.35Å; P32-R36 PolarHBondContact O-N 3.36Å |
| 33 | I | 54.9 | Low | 51.5 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 57% | 0.574 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -39.8 | 172.7 | -60 | 170.4 | 0 | 0 | 0 | 110.4 | T31 R36 I37 | T31-I33 PolarHBondContact O-N 3.36Å; I33-R36 PolarHBondContact O-N 2.99Å; I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.19Å; I33-I37 WeakPolarHBondContact O-CB 3.32Å; I33-I37 VanDerWaalsContact O-CG1 3.25Å; I33-I37 WeakPolarHBondContact O-CG1 3.33Å; I33-I37 PolarHBondContact O-N 2.79Å |
| 34 | F | 47.5 | Very low | 52.4 | Low | 53 Ų | 53 | 98 Ų | 98 | 23% | 0.232 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 177.7 | -171.3 | -92.5 | 0 | 0 | 0 | 112.1 | F28 Q29 T31 P32 R36 I37 Q38 | F28-F34 VanDerWaalsContact O-CB 3.31Å; F28-F34 WeakPolarHBondContact O-CB 3.29Å; Q29-F34 HydrophobicContact CG-CD1 4.33Å; Q29-F34 HydrophobicContact CG-CE1 3.86Å; Q29-F34 HydrophobicContact CG-CE2 4.21Å; Q29-F34 HydrophobicContact CG-CZ 3.79Å; T31-F34 VanDerWaalsContact O-CB 3.29Å; T31-F34 WeakPolarHBondContact O-CB 3.17Å; T31-F34 PolarHBondContact O-N 3.43Å; P32-F34 VanDerWaalsContact C-N 3.35Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 3.41Å; F34-I37 PolarHBondContact O-N 2.71Å; F34-Q38 VanDerWaalsContact O-CB 3.27Å; F34-Q38 WeakPolarHBondContact O-CB 3.47Å; F34-Q38 PolarHBondContact O-N 3.1Å |
| 35 | N | 50.3 | Low | 53 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | 175.3 | -78.8 | -13.5 | 0 | 0 | 0 | 112.3 | Q38 S39 | N35-Q38 PolarHBondContact O-N 2.85Å; N35-S39 WeakPolarHBondContact O-CB 3.22Å; N35-S39 PolarHBondContact O-N 2.98Å |
| 36 | R | 54.7 | Low | 54.1 | Low | 187 Ų | 187 | 103 Ų | 103 | 71% | 0.706 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.1 | -41.6 | 176.8 | -162.1 | 175 | -173.1 | -174 | 1.2 | 111.9 | P32 I33 F34 Q38 S39 N40 | P32-R36 PolarHBondContact O-N 3.36Å; I33-R36 PolarHBondContact O-N 2.99Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 3.41Å; R36-Q38 VanDerWaalsContact C-N 3.34Å; R36-S39 PolarHBondContact O-N 3.17Å; R36-N40 WeakPolarHBondContact O-CB 3.39Å; R36-N40 VanDerWaalsContact O-CG 3.26Å; R36-N40 PolarHBondContact O-N 3.17Å |
| 37 | I | 55.4 | Low | 55.3 | Low | 60 Ų | 60 | 108.3 Ų | 108.3 | 31% | 0.308 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 172.6 | -69.7 | 170.3 | 0 | 0 | 0 | 109.5 | I33 F34 S39 N40 L41 L87 | I33-I37 HydrophobicContact CG2-CD1 3.66Å; I33-I37 HydrophobicContact CG2-CG1 4.19Å; I33-I37 WeakPolarHBondContact O-CB 3.32Å; I33-I37 VanDerWaalsContact O-CG1 3.25Å; I33-I37 WeakPolarHBondContact O-CG1 3.33Å; I33-I37 PolarHBondContact O-N 2.79Å; F34-I37 PolarHBondContact O-N 2.71Å; I37-S39 PolarHBondContact O-N 3.14Å; I37-N40 PolarHBondContact O-N 2.78Å; I37-L41 WeakPolarHBondContact O-CB 3.47Å; I37-L41 PolarHBondContact O-N 3.47Å; I37-L87 HydrophobicContact CG2-CD2 4.1Å |
| 38 | Q | 54 | Low | 56 | Low | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.509 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | -180 | -168.1 | -179.3 | -5.4 | 0 | 0 | 112.1 | F34 N35 R36 L41 S42 | F34-Q38 VanDerWaalsContact O-CB 3.27Å; F34-Q38 WeakPolarHBondContact O-CB 3.47Å; F34-Q38 PolarHBondContact O-N 3.1Å; N35-Q38 PolarHBondContact O-N 2.85Å; R36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-L41 PolarHBondContact O-N 3.1Å; Q38-S42 WeakPolarHBondContact O-CB 3.2Å; Q38-S42 PolarHBondContact O-N 3.41Å |
| 39 | S | 58.3 | Low | 57 | Low | 63 Ų | 63 | 99.1 Ų | 99.1 | 44% | 0.441 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -49.5 | 173.8 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | N35 R36 I37 L41 S42 E43 | N35-S39 WeakPolarHBondContact O-CB 3.22Å; N35-S39 PolarHBondContact O-N 2.98Å; R36-S39 PolarHBondContact O-N 3.17Å; I37-S39 PolarHBondContact O-N 3.14Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.34Å; S39-S42 WeakPolarHBondContact O-CB 3.29Å; S39-S42 PolarHBondContact O-N 3.41Å; S39-E43 PolarHBondContact O-N 2.86Å |
| 40 | N | 61.2 | Low | 58.3 | Low | 82 Ų | 82 | 98 Ų | 98 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 178.2 | -71.2 | -2.8 | 0 | 0 | 0 | 111.8 | R36 I37 E43 T44 | R36-N40 WeakPolarHBondContact O-CB 3.39Å; R36-N40 VanDerWaalsContact O-CG 3.26Å; R36-N40 PolarHBondContact O-N 3.17Å; I37-N40 PolarHBondContact O-N 2.78Å; N40-E43 PolarHBondContact O-N 3.08Å; N40-T44 WeakPolarHBondContact O-CB 3.49Å; N40-T44 PolarHBondContact O-N 2.83Å; N40-T44 PolarHBondContact O-OG1 2.78Å |
| 41 | L | 55.8 | Low | 59.1 | Low | 74 Ų | 74 | 92.5 Ų | 92.5 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.8 | -40 | 176.4 | -162.7 | 97.4 | 0 | 0 | 0 | 110.7 | I37 Q38 S39 T44 Y45 T83 L87 | I37-L41 WeakPolarHBondContact O-CB 3.47Å; I37-L41 PolarHBondContact O-N 3.47Å; Q38-L41 PolarHBondContact O-N 3.1Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.34Å; L41-T44 PolarHBondContact O-N 2.97Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 3.41Å; L41-T83 HydrophobicContact CD1-CG2 4.4Å; L41-L87 HydrophobicContact CD1-CD1 3.67Å; L41-L87 HydrophobicContact CD1-CG 4.47Å |
| 42 | S | 61 | Low | 59.5 | Low | 64 Ų | 64 | 92 Ų | 92 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -46.2 | 175.1 | -165.6 | 0 | 0 | 0 | 0 | 110.9 | Q38 S39 T44 Y45 Q46 | Q38-S42 WeakPolarHBondContact O-CB 3.2Å; Q38-S42 PolarHBondContact O-N 3.41Å; S39-S42 WeakPolarHBondContact O-CB 3.29Å; S39-S42 PolarHBondContact O-N 3.41Å; S42-T44 PolarHBondContact O-N 2.64Å; S42-Y45 PolarHBondContact O-N 3.42Å; S42-Q46 WeakPolarHBondContact O-CB 3.35Å; S42-Q46 VanDerWaalsContact O-CG 3.28Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 2.96Å |
| 43 | E | 70 | Confident | 60.2 | Low | 100 Ų | 100 | 90.4 Ų | 90.4 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 175 | -72.6 | -178.7 | -161.1 | 0 | 0 | 112.2 | S39 N40 Y45 Q46 R47 | S39-E43 PolarHBondContact O-N 2.86Å; N40-E43 PolarHBondContact O-N 3.08Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-Q46 PolarHBondContact O-N 3.16Å; E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.96Å |
| 44 | T | 61.8 | Low | 60.9 | Low | 70 Ų | 70 | 89.3 Ų | 89.3 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -41 | 178.6 | -55.2 | 0 | 0 | 0 | 0 | 111 | N40 L41 S42 R47 L48 | N40-T44 WeakPolarHBondContact O-CB 3.49Å; N40-T44 PolarHBondContact O-N 2.83Å; N40-T44 PolarHBondContact O-OG1 2.78Å; L41-T44 PolarHBondContact O-N 2.97Å; S42-T44 PolarHBondContact O-N 2.64Å; T44-R47 PolarHBondContact O-N 3.5Å; T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 PolarHBondContact O-N 2.86Å |
| 45 | Y | 55.5 | Low | 61.5 | Low | 142 Ų | 142 | 88.3 Ų | 88.3 | 56% | 0.557 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.2 | -42.5 | 176.3 | 179.1 | -96.8 | 0 | 0 | 0 | 111.7 | L41 S42 E43 L48 K49 | L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 3.41Å; S42-Y45 PolarHBondContact O-N 3.42Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-L48 PolarHBondContact O-N 3.18Å; Y45-K49 HydrophobicContact CE1-CD 4.34Å; Y45-K49 WeakPolarHBondContact O-CB 3.16Å; Y45-K49 PolarHBondContact O-N 2.69Å |
| 46 | Q | 64.9 | Low | 62 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.4 | -69.7 | -64.8 | -11.6 | 0 | 0 | 111.1 | S42 E43 L48 K49 D50 | S42-Q46 WeakPolarHBondContact O-CB 3.35Å; S42-Q46 VanDerWaalsContact O-CG 3.28Å; S42-Q46 WeakPolarHBondContact O-CG 3.49Å; S42-Q46 PolarHBondContact O-N 2.96Å; E43-Q46 PolarHBondContact O-N 3.16Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 3.3Å; Q46-K49 WeakPolarHBondContact O-CB 3.44Å; Q46-K49 PolarHBondContact O-N 2.78Å; Q46-D50 WeakPolarHBondContact O-CB 3.47Å; Q46-D50 PolarHBondContact O-N 2.94Å |
| 47 | R | 68.5 | Low | 62.3 | Low | 182 Ų | 182 | 83.6 Ų | 83.6 | 69% | 0.687 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.5 | -44.8 | 174.2 | -73.2 | 179.7 | -171.3 | -168.6 | 5.6 | 112 | E43 T44 K49 D50 E51 | E43-R47 WeakPolarHBondContact O-CG 3.46Å; E43-R47 PolarHBondContact O-N 2.96Å; T44-R47 PolarHBondContact O-N 3.5Å; R47-K49 VanDerWaalsContact C-N 3.33Å; R47-D50 PolarHBondContact O-N 3.49Å; R47-E51 WeakPolarHBondContact O-CB 3.47Å; R47-E51 PolarHBondContact O-N 3.38Å |
| 48 | L | 60.7 | Low | 62.4 | Low | 30 Ų | 30 | 86.1 Ų | 86.1 | 16% | 0.157 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.8 | -173 | 65.9 | 0 | 0 | 0 | 111.1 | T44 Y45 Q46 E51 V52 L76 S79 | T44-L48 WeakPolarHBondContact O-CB 3.37Å; T44-L48 PolarHBondContact O-N 2.86Å; Y45-L48 PolarHBondContact O-N 3.18Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 3.3Å; L48-E51 PolarHBondContact O-N 3.49Å; L48-V52 WeakPolarHBondContact O-CB 3.41Å; L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.45Å; L48-L76 HydrophobicContact CD1-CD1 4.37Å; L48-L76 HydrophobicContact CD2-CD1 4.36Å; L48-L76 HydrophobicContact CG-CD1 4.34Å; L48-S79 VanDerWaalsContact CD1-OG 3.29Å; L48-S79 WeakPolarHBondContact CD1-OG 3.32Å |
| 49 | K | 65.5 | Low | 62.2 | Low | 95 Ų | 95 | 82.7 Ų | 82.7 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.8 | -176.9 | -177 | 176.9 | -172.1 | 0 | 111.4 | Y45 Q46 R47 V52 N53 | Y45-K49 HydrophobicContact CE1-CD 4.34Å; Y45-K49 WeakPolarHBondContact O-CB 3.16Å; Y45-K49 PolarHBondContact O-N 2.69Å; Q46-K49 WeakPolarHBondContact O-CB 3.44Å; Q46-K49 PolarHBondContact O-N 2.78Å; R47-K49 VanDerWaalsContact C-N 3.33Å; K49-V52 PolarHBondContact O-N 3.43Å; K49-N53 WeakPolarHBondContact O-CB 3.33Å; K49-N53 PolarHBondContact O-N 2.78Å; K49-N53 PolarHBondContact O-ND2 2.85Å |
| 50 | D | 72.3 | Confident | 61.9 | Low | 98 Ų | 98 | 87.1 Ų | 87.1 | 52% | 0.524 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 175.7 | -73.2 | -20.2 | 0 | 0 | 0 | 111.3 | Q46 R47 N53 N54 | Q46-D50 WeakPolarHBondContact O-CB 3.47Å; Q46-D50 PolarHBondContact O-N 2.94Å; R47-D50 PolarHBondContact O-N 3.49Å; D50-N53 PolarHBondContact O-N 2.82Å; D50-N54 VanDerWaalsContact O-CB 3.32Å; D50-N54 WeakPolarHBondContact O-CB 3.26Å; D50-N54 PolarHBondContact O-N 2.9Å |
| 51 | E | 65.6 | Low | 61.6 | Low | 78 Ų | 78 | 89.5 Ų | 89.5 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 174.3 | -168.7 | 178.6 | 176.5 | 0 | 0 | 111.2 | R47 L48 N54 L55 R75 | R47-E51 WeakPolarHBondContact O-CB 3.47Å; R47-E51 PolarHBondContact O-N 3.38Å; L48-E51 PolarHBondContact O-N 3.49Å; E51-N54 PolarHBondContact O-N 3.3Å; E51-L55 HydrophobicContact CG-CD1 4.13Å; E51-L55 WeakPolarHBondContact O-CB 3.22Å; E51-L55 VanDerWaalsContact O-CG 3.22Å; E51-L55 WeakPolarHBondContact O-CG 3.37Å; E51-L55 PolarHBondContact O-N 3.35Å; E51-R75 IonicContact OE1-CZ 3.21Å; E51-R75 IonicContact OE1-NH1 2.78Å; E51-R75 PolarHBondContact OE1-NH1 2.77Å; E51-R75 IonicContact OE1-NH2 2.78Å; E51-R75 PolarHBondContact OE1-NH2 2.95Å |
| 52 | V | 59.8 | Low | 61.2 | Low | 34 Ų | 34 | 87.1 Ų | 87.1 | 21% | 0.206 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.7 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | L48 K49 N54 L55 T56 L76 | L48-V52 WeakPolarHBondContact O-CB 3.41Å; L48-V52 WeakPolarHBondContact O-CG2 3.41Å; L48-V52 PolarHBondContact O-N 3.45Å; K49-V52 PolarHBondContact O-N 3.43Å; V52-N54 VanDerWaalsContact C-N 3.3Å; V52-N54 PolarHBondContact O-N 2.85Å; V52-L55 PolarHBondContact O-N 3.36Å; V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.45Å; V52-T56 PolarHBondContact O-N 3.49Å; V52-T56 PolarHBondContact O-OG1 3.47Å; V52-L76 HydrophobicContact CG1-CD2 4.49Å; V52-L76 HydrophobicContact CG2-CD1 3.27Å; V52-L76 HydrophobicContact CG2-CD2 4.05Å; V52-L76 HydrophobicContact CG2-CG 4.24Å |
| 53 | N | 66.5 | Low | 60.4 | Low | 74 Ų | 74 | 92.2 Ų | 92.2 | 40% | 0.396 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 176.9 | -76.4 | -25.8 | 0 | 0 | 0 | 111.1 | K49 D50 T56 K57 | K49-N53 WeakPolarHBondContact O-CB 3.33Å; K49-N53 PolarHBondContact O-N 2.78Å; K49-N53 PolarHBondContact O-ND2 2.85Å; D50-N53 PolarHBondContact O-N 2.82Å; N53-T56 PolarHBondContact O-N 3.4Å; N53-K57 WeakPolarHBondContact O-CG 3.32Å; N53-K57 PolarHBondContact O-N 3.24Å |
| 54 | N | 69.6 | Low | 59.4 | Low | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.6 | -47.4 | 176.2 | -166.3 | 56.9 | 0 | 0 | 0 | 111.2 | D50 E51 V52 T56 K57 E58 | D50-N54 VanDerWaalsContact O-CB 3.32Å; D50-N54 WeakPolarHBondContact O-CB 3.26Å; D50-N54 PolarHBondContact O-N 2.9Å; E51-N54 PolarHBondContact O-N 3.3Å; V52-N54 VanDerWaalsContact C-N 3.3Å; V52-N54 PolarHBondContact O-N 2.85Å; N54-T56 VanDerWaalsContact C-N 3.3Å; N54-T56 PolarHBondContact O-N 3.48Å; N54-K57 WeakPolarHBondContact O-CB 3.43Å; N54-K57 PolarHBondContact O-N 3.37Å; N54-E58 PolarHBondContact ND2-OE1 3.29Å; N54-E58 VanDerWaalsContact ND2-OE1 3.1Å; N54-E58 WeakPolarHBondContact O-CG 3.41Å; N54-E58 PolarHBondContact O-N 2.8Å |
| 55 | L | 59.5 | Low | 58.7 | Low | 32 Ų | 32 | 92.7 Ų | 92.7 | 17% | 0.168 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.2 | -72.1 | 167.3 | 0 | 0 | 0 | 111.7 | E51 V52 K57 E58 V59 | E51-L55 HydrophobicContact CG-CD1 4.13Å; E51-L55 WeakPolarHBondContact O-CB 3.22Å; E51-L55 VanDerWaalsContact O-CG 3.22Å; E51-L55 WeakPolarHBondContact O-CG 3.37Å; E51-L55 PolarHBondContact O-N 3.35Å; V52-L55 PolarHBondContact O-N 3.36Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.93Å; L55-E58 PolarHBondContact O-N 3.47Å; L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.33Å |
| 56 | T | 60.7 | Low | 58.6 | Low | 55 Ų | 55 | 93.7 Ų | 93.7 | 34% | 0.337 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.5 | -38 | 178 | -57.8 | 0 | 0 | 0 | 0 | 111 | V52 N53 N54 V59 Q60 | V52-T56 VanDerWaalsContact O-CB 3.26Å; V52-T56 WeakPolarHBondContact O-CB 3.45Å; V52-T56 PolarHBondContact O-N 3.49Å; V52-T56 PolarHBondContact O-OG1 3.47Å; N53-T56 PolarHBondContact O-N 3.4Å; N54-T56 VanDerWaalsContact C-N 3.3Å; N54-T56 PolarHBondContact O-N 3.48Å; T56-V59 PolarHBondContact O-N 2.88Å; T56-Q60 WeakPolarHBondContact O-CB 3.21Å; T56-Q60 WeakPolarHBondContact O-CG 3.25Å; T56-Q60 PolarHBondContact O-N 2.88Å |
| 57 | K | 61.4 | Low | 57.9 | Low | 139 Ų | 139 | 93.5 Ų | 93.5 | 60% | 0.604 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | 172.3 | -75.3 | 175.6 | 178.5 | -179.1 | 0 | 111.6 | N53 N54 L55 V59 Q60 V61 | N53-K57 WeakPolarHBondContact O-CG 3.32Å; N53-K57 PolarHBondContact O-N 3.24Å; N54-K57 WeakPolarHBondContact O-CB 3.43Å; N54-K57 PolarHBondContact O-N 3.37Å; L55-K57 VanDerWaalsContact C-N 3.34Å; L55-K57 PolarHBondContact O-N 2.93Å; K57-V59 VanDerWaalsContact C-N 3.29Å; K57-V59 PolarHBondContact O-N 3.36Å; K57-Q60 PolarHBondContact O-N 3.48Å; K57-V61 WeakPolarHBondContact O-CB 3.48Å; K57-V61 VanDerWaalsContact O-CG2 3.26Å; K57-V61 WeakPolarHBondContact O-CG2 3.26Å; K57-V61 PolarHBondContact O-N 3.38Å |
| 58 | E | 57.3 | Low | 56.8 | Low | 113 Ų | 113 | 86.9 Ų | 86.9 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.2 | -39.2 | 174.1 | -72.7 | 174.2 | -169.1 | 0 | 0 | 111.7 | N54 L55 G62 | N54-E58 PolarHBondContact ND2-OE1 3.29Å; N54-E58 VanDerWaalsContact ND2-OE1 3.1Å; N54-E58 WeakPolarHBondContact O-CG 3.41Å; N54-E58 PolarHBondContact O-N 2.8Å; L55-E58 PolarHBondContact O-N 3.47Å; E58-G62 PolarHBondContact O-N 3.35Å; E58-G62 VanDerWaalsContact O-N 3.11Å |
| 59 | V | 51.2 | Low | 56 | Low | 36 Ų | 36 | 89.6 Ų | 89.6 | 22% | 0.218 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 174.3 | 174.1 | 0 | 0 | 0 | 0 | 112.8 | L55 T56 K57 V61 G62 I72 | L55-V59 VanDerWaalsContact O-CG2 3.26Å; L55-V59 WeakPolarHBondContact O-CG2 3.34Å; L55-V59 PolarHBondContact O-N 3.33Å; T56-V59 PolarHBondContact O-N 2.88Å; K57-V59 VanDerWaalsContact C-N 3.29Å; K57-V59 PolarHBondContact O-N 3.36Å; V59-V61 VanDerWaalsContact C-N 3.31Å; V59-G62 CarbonylContact O-C 3.57Å; V59-G62 PolarHBondContact O-N 2.9Å; V59-I72 HydrophobicContact CB-CD1 4.49Å; V59-I72 HydrophobicContact CG2-CD1 3Å; V59-I72 HydrophobicContact CG2-CG1 4.49Å |
| 60 | Q | 50.9 | Low | 55.1 | Low | 156 Ų | 156 | 92.6 Ų | 92.6 | 73% | 0.729 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -72.2 | -26 | 179.3 | -76.6 | -178.6 | 2.4 | 0 | 0 | 112.9 | T56 K57 | T56-Q60 WeakPolarHBondContact O-CB 3.21Å; T56-Q60 WeakPolarHBondContact O-CG 3.25Å; T56-Q60 PolarHBondContact O-N 2.88Å; K57-Q60 PolarHBondContact O-N 3.48Å |
| 61 | V | 55.3 | Low | 53.9 | Low | 132 Ų | 132 | 97 Ų | 97 | 80% | 0.8 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -87.9 | -20.9 | 177.4 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | K57 V59 | K57-V61 WeakPolarHBondContact O-CB 3.48Å; K57-V61 VanDerWaalsContact O-CG2 3.26Å; K57-V61 WeakPolarHBondContact O-CG2 3.26Å; K57-V61 PolarHBondContact O-N 3.38Å; V59-V61 VanDerWaalsContact C-N 3.31Å |
| 62 | G | 47.7 | Very low | 53.3 | Low | 24 Ų | 24 | 95 Ų | 95 | 25% | 0.247 | 51% | 0.507 | C | S | . | . | trans | -103.4 | 95.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E58 V59 I64 | E58-G62 PolarHBondContact O-N 3.35Å; E58-G62 VanDerWaalsContact O-N 3.11Å; V59-G62 CarbonylContact O-C 3.57Å; V59-G62 PolarHBondContact O-N 2.9Å; G62-I64 PolarHBondContact O-N 2.96Å | ||
| 63 | D | 44.1 | Very low | 52.9 | Low | 171 Ų | 171 | 101 Ų | 101 | 91% | 0.914 | 53% | 0.527 | S | S | * | . | trans | -61.8 | 66.8 | 168.2 | -166.9 | 20.2 | 0 | 0 | 0 | 111.9 | ||||
| 64 | I | 48.7 | Very low | 52.2 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 66% | 0.662 | 54% | 0.535 | S | S | * | . | trans | -146 | 94.1 | -164.4 | -48.4 | 175.6 | 0 | 0 | 0 | 111.9 | G62 S68 | G62-I64 PolarHBondContact O-N 2.96Å; I64-S68 PolarHBondContact O-OG 3.27Å | ||
| 65 | G | 47.5 | Very low | 51.3 | Low | 52 Ų | 52 | 104.7 Ų | 104.7 | 54% | 0.536 | 54% | 0.537 | S | S | . | . | trans | 74.7 | 126.9 | 137.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | S67 S68 | G65-S67 PolarHBondContact O-N 3Å; G65-S68 PolarHBondContact O-N 3.42Å; G65-S68 VanDerWaalsContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 2.86Å | ||
| 66 | D | 52.8 | Low | 51 | Low | 163 Ų | 163 | 105.9 Ų | 105.9 | 87% | 0.872 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.8 | -5.5 | 178.4 | -140.9 | -2.5 | 0 | 0 | 0 | 116.9 | ||
| 67 | S | 50 | Low | 50.8 | Low | 82 Ų | 82 | 107.6 Ų | 107.6 | 57% | 0.573 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -32.1 | -179.9 | 60.3 | 0 | 0 | 0 | 0 | 114.5 | G65 K70 Y71 | G65-S67 PolarHBondContact O-N 3Å; S67-K70 PolarHBondContact O-N 3.43Å; S67-Y71 PolarHBondContact O-N 3.11Å |
| 68 | S | 45.4 | Very low | 50.3 | Low | 43 Ų | 43 | 104 Ų | 104 | 30% | 0.301 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.4 | -42 | -175.6 | 56 | 0 | 0 | 0 | 0 | 111.7 | I64 G65 K70 Y71 I72 | I64-S68 PolarHBondContact O-OG 3.27Å; G65-S68 PolarHBondContact O-N 3.42Å; G65-S68 VanDerWaalsContact O-N 3.12Å; G65-S68 PolarHBondContact O-OG 2.86Å; S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 3.05Å; S68-Y71 PolarHBondContact O-N 2.89Å; S68-I72 PolarHBondContact O-N 3.42Å; S68-I72 VanDerWaalsContact O-N 3.12Å |
| 69 | N | 44.9 | Very low | 50.1 | Low | 86 Ų | 86 | 100.4 Ų | 100.4 | 46% | 0.46 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.5 | -36.3 | 174 | -106.7 | -5.8 | 0 | 0 | 0 | 112.7 | I72 Y73 | N69-I72 PolarHBondContact O-N 3.47Å; N69-Y73 PolarHBondContact O-N 3.41Å |
| 70 | K | 46.6 | Very low | 50.3 | Low | 159 Ų | 159 | 101.9 Ų | 101.9 | 69% | 0.691 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.3 | -38.4 | 179.3 | -152.9 | 173.9 | -172.8 | 175.9 | 0 | 111.6 | S67 S68 N74 | S67-K70 PolarHBondContact O-N 3.43Å; S68-K70 VanDerWaalsContact C-N 3.26Å; S68-K70 PolarHBondContact O-N 3.05Å; K70-N74 VanDerWaalsContact O-CB 3.29Å; K70-N74 WeakPolarHBondContact O-CB 3.46Å; K70-N74 PolarHBondContact O-N 2.88Å |
| 71 | Y | 46.3 | Very low | 50.4 | Low | 189 Ų | 189 | 97.1 Ų | 97.1 | 74% | 0.741 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 174.9 | -97.7 | -82.9 | 0 | 0 | 0 | 112.3 | S67 S68 N74 R75 | S67-Y71 PolarHBondContact O-N 3.11Å; S68-Y71 PolarHBondContact O-N 2.89Å; Y71-N74 PolarHBondContact O-N 3.12Å; Y71-R75 VanDerWaalsContact O-CB 3.25Å; Y71-R75 WeakPolarHBondContact O-CB 3.35Å; Y71-R75 PolarHBondContact O-N 2.9Å |
| 72 | I | 54 | Low | 50.4 | Low | 36 Ų | 36 | 95.5 Ų | 95.5 | 19% | 0.185 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | -179.2 | -68.4 | 165.7 | 0 | 0 | 0 | 111.2 | V59 S68 N69 N74 R75 L76 | V59-I72 HydrophobicContact CB-CD1 4.49Å; V59-I72 HydrophobicContact CG2-CD1 3Å; V59-I72 HydrophobicContact CG2-CG1 4.49Å; S68-I72 PolarHBondContact O-N 3.42Å; S68-I72 VanDerWaalsContact O-N 3.12Å; N69-I72 PolarHBondContact O-N 3.47Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.33Å; I72-R75 PolarHBondContact O-N 2.96Å; I72-L76 VanDerWaalsContact O-CB 3.3Å; I72-L76 WeakPolarHBondContact O-CB 3.44Å; I72-L76 PolarHBondContact O-N 2.91Å |
| 73 | Y | 50.1 | Low | 50.8 | Low | 161 Ų | 161 | 96.4 Ų | 96.4 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -43.2 | 173.8 | -101.5 | -84.9 | 0 | 0 | 0 | 112.2 | N69 L76 L77 | N69-Y73 PolarHBondContact O-N 3.41Å; Y73-L76 PolarHBondContact O-N 3.27Å; Y73-L77 WeakPolarHBondContact O-CB 3.22Å; Y73-L77 PolarHBondContact O-N 3.5Å |
| 74 | N | 51.4 | Low | 51.3 | Low | 103 Ų | 103 | 91.3 Ų | 91.3 | 55% | 0.551 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.2 | -41.4 | 179.8 | -149 | 39.5 | 0 | 0 | 0 | 111 | K70 Y71 I72 L76 L77 T78 | K70-N74 VanDerWaalsContact O-CB 3.29Å; K70-N74 WeakPolarHBondContact O-CB 3.46Å; K70-N74 PolarHBondContact O-N 2.88Å; Y71-N74 PolarHBondContact O-N 3.12Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.33Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 3.4Å; N74-L77 PolarHBondContact O-N 3.49Å; N74-T78 WeakPolarHBondContact O-CB 3.31Å; N74-T78 PolarHBondContact O-N 3.3Å; N74-T78 PolarHBondContact O-OG1 2.73Å |
| 75 | R | 52.1 | Low | 51.4 | Low | 138 Ų | 138 | 91.2 Ų | 91.2 | 52% | 0.521 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 175.9 | -168.5 | 171.2 | 179.1 | -107.7 | -10.3 | 112 | E51 Y71 I72 T78 S79 | E51-R75 IonicContact OE1-CZ 3.21Å; E51-R75 IonicContact OE1-NH1 2.78Å; E51-R75 PolarHBondContact OE1-NH1 2.77Å; E51-R75 IonicContact OE1-NH2 2.78Å; E51-R75 PolarHBondContact OE1-NH2 2.95Å; Y71-R75 VanDerWaalsContact O-CB 3.25Å; Y71-R75 WeakPolarHBondContact O-CB 3.35Å; Y71-R75 PolarHBondContact O-N 2.9Å; I72-R75 PolarHBondContact O-N 2.96Å; R75-T78 PolarHBondContact O-N 2.84Å; R75-S79 VanDerWaalsContact O-CB 3.32Å; R75-S79 WeakPolarHBondContact O-CB 3.27Å; R75-S79 PolarHBondContact O-N 3.47Å |
| 76 | L | 53.2 | Low | 51.3 | Low | 57 Ų | 57 | 91.7 Ų | 91.7 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 177 | -173.8 | 57.1 | 0 | 0 | 0 | 112.2 | L48 V52 I72 Y73 N74 S79 T80 | L48-L76 HydrophobicContact CD1-CD1 4.37Å; L48-L76 HydrophobicContact CD2-CD1 4.36Å; L48-L76 HydrophobicContact CG-CD1 4.34Å; V52-L76 HydrophobicContact CG1-CD2 4.49Å; V52-L76 HydrophobicContact CG2-CD1 3.27Å; V52-L76 HydrophobicContact CG2-CD2 4.05Å; V52-L76 HydrophobicContact CG2-CG 4.24Å; I72-L76 VanDerWaalsContact O-CB 3.3Å; I72-L76 WeakPolarHBondContact O-CB 3.44Å; I72-L76 PolarHBondContact O-N 2.91Å; Y73-L76 PolarHBondContact O-N 3.27Å; N74-L76 VanDerWaalsContact C-N 3.35Å; N74-L76 PolarHBondContact O-N 3.4Å; L76-S79 PolarHBondContact O-N 2.9Å; L76-T80 WeakPolarHBondContact O-CB 3.49Å; L76-T80 PolarHBondContact O-N 3.45Å; L76-T80 PolarHBondContact O-OG1 3.31Å |
| 77 | L | 55.7 | Low | 51 | Low | 90 Ų | 90 | 86.9 Ų | 86.9 | 47% | 0.471 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 173.1 | -87.9 | 160.7 | 0 | 0 | 0 | 111.3 | Y73 N74 T80 L81 | Y73-L77 WeakPolarHBondContact O-CB 3.22Å; Y73-L77 PolarHBondContact O-N 3.5Å; N74-L77 PolarHBondContact O-N 3.49Å; L77-T80 PolarHBondContact O-N 3.47Å; L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.4Å; L77-L81 PolarHBondContact O-N 2.82Å |
| 78 | T | 51.4 | Low | 51 | Low | 64 Ų | 64 | 86.2 Ų | 86.2 | 39% | 0.393 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 176.8 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | N74 R75 T80 L81 I82 | N74-T78 WeakPolarHBondContact O-CB 3.31Å; N74-T78 PolarHBondContact O-N 3.3Å; N74-T78 PolarHBondContact O-OG1 2.73Å; R75-T78 PolarHBondContact O-N 2.84Å; T78-T80 PolarHBondContact O-N 3.02Å; T78-L81 PolarHBondContact O-N 3.01Å; T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.25Å; T78-I82 WeakPolarHBondContact O-CB 3.24Å; T78-I82 WeakPolarHBondContact O-CG1 3.29Å; T78-I82 PolarHBondContact O-N 3.3Å |
| 79 | S | 52.2 | Low | 50.8 | Low | 37 Ų | 37 | 90.1 Ų | 90.1 | 26% | 0.259 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | L48 R75 L76 I82 T83 | L48-S79 VanDerWaalsContact CD1-OG 3.29Å; L48-S79 WeakPolarHBondContact CD1-OG 3.32Å; R75-S79 VanDerWaalsContact O-CB 3.32Å; R75-S79 WeakPolarHBondContact O-CB 3.27Å; R75-S79 PolarHBondContact O-N 3.47Å; L76-S79 PolarHBondContact O-N 2.9Å; S79-I82 PolarHBondContact O-N 3.02Å; S79-T83 WeakPolarHBondContact O-CB 3.25Å; S79-T83 PolarHBondContact O-N 3.19Å; S79-T83 PolarHBondContact O-OG1 3.32Å |
| 80 | T | 55.7 | Low | 50.6 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 175.2 | -51.8 | 0 | 0 | 0 | 0 | 111.2 | L76 L77 T78 T83 L84 | L76-T80 WeakPolarHBondContact O-CB 3.49Å; L76-T80 PolarHBondContact O-N 3.45Å; L76-T80 PolarHBondContact O-OG1 3.31Å; L77-T80 PolarHBondContact O-N 3.47Å; T78-T80 PolarHBondContact O-N 3.02Å; T80-T83 PolarHBondContact O-N 3.12Å; T80-L84 PolarHBondContact O-N 3.03Å |
| 81 | L | 53.6 | Low | 50.3 | Low | 56 Ų | 56 | 93 Ų | 93 | 29% | 0.293 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.7 | -75 | 168.4 | 0 | 0 | 0 | 112.5 | L77 T78 L84 F85 | L77-L81 WeakPolarHBondContact O-CB 3.26Å; L77-L81 VanDerWaalsContact O-CG 3.24Å; L77-L81 WeakPolarHBondContact O-CG 3.4Å; L77-L81 PolarHBondContact O-N 2.82Å; T78-L81 PolarHBondContact O-N 3.01Å; L81-L84 PolarHBondContact O-N 3.43Å; L81-F85 WeakPolarHBondContact O-CB 3.3Å; L81-F85 PolarHBondContact O-N 3.31Å |
| 82 | I | 54.2 | Low | 50.5 | Low | 99 Ų | 99 | 88.3 Ų | 88.3 | 51% | 0.508 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 174.9 | -72 | 165.7 | 0 | 0 | 0 | 109.7 | T78 S79 L84 F85 S86 | T78-I82 HydrophobicContact CG2-CD1 3.73Å; T78-I82 HydrophobicContact CG2-CG1 4.25Å; T78-I82 WeakPolarHBondContact O-CB 3.24Å; T78-I82 WeakPolarHBondContact O-CG1 3.29Å; T78-I82 PolarHBondContact O-N 3.3Å; S79-I82 PolarHBondContact O-N 3.02Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.21Å; I82-F85 PolarHBondContact O-N 3.48Å; I82-S86 WeakPolarHBondContact O-CB 3.44Å; I82-S86 PolarHBondContact O-N 3.38Å; I82-S86 PolarHBondContact O-OG 3.12Å; I82-S86 VanDerWaalsContact O-OG 3.08Å |
| 83 | T | 56.4 | Low | 50.3 | Low | 43 Ų | 43 | 91 Ų | 91 | 26% | 0.264 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 178.5 | -54.1 | 0 | 0 | 0 | 0 | 111 | L41 S79 T80 S86 L87 | L41-T83 HydrophobicContact CD1-CG2 4.4Å; S79-T83 WeakPolarHBondContact O-CB 3.25Å; S79-T83 PolarHBondContact O-N 3.19Å; S79-T83 PolarHBondContact O-OG1 3.32Å; T80-T83 PolarHBondContact O-N 3.12Å; T83-S86 PolarHBondContact O-N 3.25Å; T83-L87 HydrophobicContact CG2-CD1 4.44Å; T83-L87 WeakPolarHBondContact O-CD1 3.48Å; T83-L87 PolarHBondContact O-N 3.03Å; T83-L87 VanDerWaalsContact O-N 3.1Å |
| 84 | L | 55.1 | Low | 50.3 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 175.2 | -124.2 | 101.8 | 0 | 0 | 0 | 112.5 | T80 L81 I82 L87 I88 | T80-L84 PolarHBondContact O-N 3.03Å; L81-L84 PolarHBondContact O-N 3.43Å; I82-L84 VanDerWaalsContact C-N 3.32Å; I82-L84 PolarHBondContact O-N 3.21Å; L84-L87 WeakPolarHBondContact O-CB 3.29Å; L84-L87 PolarHBondContact O-N 2.7Å; L84-I88 WeakPolarHBondContact O-CG1 3.35Å; L84-I88 PolarHBondContact O-N 3.29Å |
| 85 | F | 49.8 | Very low | 50.2 | Low | 128 Ų | 128 | 86.2 Ų | 86.2 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.2 | -40.8 | 177.3 | -109.3 | -85.4 | 0 | 0 | 0 | 112.2 | L81 I82 L87 I88 I89 | L81-F85 WeakPolarHBondContact O-CB 3.3Å; L81-F85 PolarHBondContact O-N 3.31Å; I82-F85 PolarHBondContact O-N 3.48Å; F85-L87 VanDerWaalsContact C-N 3.26Å; F85-L87 PolarHBondContact O-N 3.31Å; F85-I88 PolarHBondContact O-N 3.3Å; F85-I88 VanDerWaalsContact O-N 3.14Å; F85-I89 HydrophobicContact CD1-CD1 3.97Å; F85-I89 WeakPolarHBondContact O-CG1 3.49Å; F85-I89 PolarHBondContact O-N 3.02Å |
| 86 | S | 46 | Very low | 50.1 | Low | 61 Ų | 61 | 82.9 Ų | 82.9 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 174.6 | -61.4 | 0 | 0 | 0 | 0 | 111.9 | I82 T83 L90 | I82-S86 WeakPolarHBondContact O-CB 3.44Å; I82-S86 PolarHBondContact O-N 3.38Å; I82-S86 PolarHBondContact O-OG 3.12Å; I82-S86 VanDerWaalsContact O-OG 3.08Å; T83-S86 PolarHBondContact O-N 3.25Å; S86-L90 WeakPolarHBondContact O-CB 3.32Å; S86-L90 WeakPolarHBondContact O-CD1 3.3Å; S86-L90 PolarHBondContact O-N 3.47Å |
| 87 | L | 47.4 | Very low | 49.9 | Very low | 63 Ų | 63 | 84.7 Ų | 84.7 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -30.6 | 172.8 | -94.1 | 152.4 | 0 | 0 | 0 | 114 | I37 L41 T83 L84 F85 N91 | I37-L87 HydrophobicContact CG2-CD2 4.1Å; L41-L87 HydrophobicContact CD1-CD1 3.67Å; L41-L87 HydrophobicContact CD1-CG 4.47Å; T83-L87 HydrophobicContact CG2-CD1 4.44Å; T83-L87 WeakPolarHBondContact O-CD1 3.48Å; T83-L87 PolarHBondContact O-N 3.03Å; T83-L87 VanDerWaalsContact O-N 3.1Å; L84-L87 WeakPolarHBondContact O-CB 3.29Å; L84-L87 PolarHBondContact O-N 2.7Å; F85-L87 VanDerWaalsContact C-N 3.26Å; F85-L87 PolarHBondContact O-N 3.31Å; L87-N91 PolarHBondContact O-ND2 3.21Å |
| 88 | I | 49.9 | Very low | 49.5 | Very low | 67 Ų | 67 | 84.3 Ų | 84.3 | 34% | 0.344 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -83.2 | -36.1 | 179.4 | -66.9 | 163.5 | 0 | 0 | 0 | 111.4 | F17 L84 F85 | F17-I88 HydrophobicContact CD1-CD1 3.7Å; F17-I88 HydrophobicContact CD1-CG1 4.46Å; F17-I88 HydrophobicContact CE1-CD1 3.81Å; F17-I88 HydrophobicContact CG-CD1 4.18Å; F17-I88 HydrophobicContact CZ-CD1 4.36Å; L84-I88 WeakPolarHBondContact O-CG1 3.35Å; L84-I88 PolarHBondContact O-N 3.29Å; F85-I88 PolarHBondContact O-N 3.3Å; F85-I88 VanDerWaalsContact O-N 3.14Å |
| 89 | I | 40.7 | Very low | 49.3 | Very low | 126 Ų | 126 | 85.8 Ų | 85.8 | 65% | 0.646 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -79.9 | -23.2 | -176.5 | -67.6 | 167.7 | 0 | 0 | 0 | 112.7 | F85 | F85-I89 HydrophobicContact CD1-CD1 3.97Å; F85-I89 WeakPolarHBondContact O-CG1 3.49Å; F85-I89 PolarHBondContact O-N 3.02Å |
| 90 | L | 40.8 | Very low | 49.1 | Very low | 155 Ų | 155 | 89.9 Ų | 89.9 | 81% | 0.812 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -1.3 | 177 | -92.1 | 123.2 | 0 | 0 | 0 | 114.5 | S86 | S86-L90 WeakPolarHBondContact O-CB 3.32Å; S86-L90 WeakPolarHBondContact O-CD1 3.3Å; S86-L90 PolarHBondContact O-N 3.47Å |
| 91 | N | 39.8 | Very low | 48.5 | Very low | 151 Ų | 151 | 92 Ų | 92 | 81% | 0.807 | 48% | 0.484 | S | S | * | . | trans | -105.6 | 0 | 168.1 | -87.1 | -50.7 | 0 | 0 | 0 | 110.5 | L87 | L87-N91 PolarHBondContact O-ND2 3.21Š|
Retrieved 91 of 91 residues in 238.5 ms
(Link to these results)