| 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 | 43 | Very low | 60.7 | Low | 248 Ų | 248 | 105.3 Ų | 105.3 | 100% | 1.222 | 59% | 0.586 | S | S | * | * | 0 | 29.3 | 0 | -73.7 | -93.2 | 178 | 0 | 0 | 112.3 | |||||
| 2 | A | 47.9 | Very low | 61.8 | Low | 86 Ų | 86 | 103.3 Ų | 103.3 | 71% | 0.711 | 57% | 0.573 | S | S | * | * | trans | -105.3 | -7.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | S | 54.5 | Low | 62.4 | Low | 81 Ų | 81 | 99.5 Ų | 99.5 | 57% | 0.566 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -89.3 | -9.3 | -169 | 83.7 | 0 | 0 | 0 | 0 | 115.4 | T6 T7 | S3-T6 PolarHBondContact O-OG1 3.37Å; S3-T6 VanDerWaalsContact O-OG1 3.12Å; S3-T7 WeakPolarHBondContact O-CB 3.29Å; S3-T7 PolarHBondContact O-N 3.29Å; S3-T7 PolarHBondContact O-OG1 3.41Å |
| 4 | R | 55.6 | Low | 63.4 | Low | 213 Ų | 213 | 99.8 Ų | 99.8 | 80% | 0.804 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -74.4 | -40.7 | 178.4 | -75.2 | -169.8 | 177 | 177.6 | -0.7 | 111.8 | T7 E8 | R4-T7 PolarHBondContact O-N 3.23Å; R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.12Å |
| 5 | G | 62 | Low | 64.5 | Low | 47 Ų | 47 | 98.2 Ų | 98.2 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -53.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T7 E8 T9 | G5-T7 VanDerWaalsContact C-N 3.27Å; G5-T7 PolarHBondContact O-N 3.06Å; G5-E8 PolarHBondContact O-N 3.49Å; G5-T9 WeakPolarHBondContact O-CB 3.43Å; G5-T9 PolarHBondContact O-N 3.31Å; G5-T9 PolarHBondContact O-OG1 3.17Å |
| 6 | T | 61.9 | Low | 65 | Low | 94 Ų | 94 | 92.9 Ų | 92.9 | 58% | 0.577 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.3 | -33.9 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | S3 S10 | S3-T6 PolarHBondContact O-OG1 3.37Å; S3-T6 VanDerWaalsContact O-OG1 3.12Å; T6-S10 WeakPolarHBondContact O-CB 3.39Å; T6-S10 PolarHBondContact O-N 2.65Å |
| 7 | T | 65.1 | Low | 65.3 | Low | 64 Ų | 64 | 92.8 Ų | 92.8 | 39% | 0.393 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.7 | -43.6 | 179.4 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | S3 R4 G5 T9 S10 K11 | S3-T7 WeakPolarHBondContact O-CB 3.29Å; S3-T7 PolarHBondContact O-N 3.29Å; S3-T7 PolarHBondContact O-OG1 3.41Å; R4-T7 PolarHBondContact O-N 3.23Å; G5-T7 VanDerWaalsContact C-N 3.27Å; G5-T7 PolarHBondContact O-N 3.06Å; T7-T9 VanDerWaalsContact C-N 3.34Å; T7-S10 PolarHBondContact O-N 2.77Å; T7-K11 WeakPolarHBondContact O-CG 3.4Å; T7-K11 PolarHBondContact O-N 3.01Å |
| 8 | E | 65.8 | Low | 66.1 | Low | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 177 | -67.1 | -58.7 | 115.5 | 0 | 0 | 111.1 | R4 G5 S10 K11 L12 | R4-E8 WeakPolarHBondContact O-CG 3.41Å; R4-E8 PolarHBondContact O-N 3.12Å; G5-E8 PolarHBondContact O-N 3.49Å; E8-S10 PolarHBondContact O-N 2.88Å; E8-K11 PolarHBondContact O-N 3.28Å; E8-K11 IonicContact OE1-NZ 2.77Å; E8-K11 PolarHBondContact OE1-NZ 3.01Å; E8-L12 WeakPolarHBondContact O-CB 3.36Å; E8-L12 PolarHBondContact O-N 3.34Å |
| 9 | T | 68.8 | Low | 66.6 | Low | 32 Ų | 32 | 92.5 Ų | 92.5 | 20% | 0.196 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 172.3 | -57 | 0 | 0 | 0 | 0 | 112.5 | G5 T7 L12 K13 L70 | G5-T9 WeakPolarHBondContact O-CB 3.43Å; G5-T9 PolarHBondContact O-N 3.31Å; G5-T9 PolarHBondContact O-OG1 3.17Å; T7-T9 VanDerWaalsContact C-N 3.34Å; T9-L12 PolarHBondContact O-N 3.32Å; T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 2.96Å; T9-L70 HydrophobicContact CG2-CD1 3.17Å; T9-L70 HydrophobicContact CG2-CD2 3.25Å; T9-L70 HydrophobicContact CG2-CG 3.73Å |
| 10 | S | 68.1 | Low | 66.9 | Low | 71 Ų | 71 | 88.1 Ų | 88.1 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.1 | -36.4 | 176.2 | -172.7 | 0 | 0 | 0 | 0 | 112.6 | T6 T7 E8 Q14 | T6-S10 WeakPolarHBondContact O-CB 3.39Å; T6-S10 PolarHBondContact O-N 2.65Å; T7-S10 PolarHBondContact O-N 2.77Å; E8-S10 PolarHBondContact O-N 2.88Å; S10-Q14 PolarHBondContact O-N 3Å |
| 11 | K | 75.6 | Confident | 67.4 | Low | 112 Ų | 112 | 85.9 Ų | 85.9 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.9 | -42.2 | 174.8 | -72.9 | 175.4 | -172.9 | 165.1 | 0 | 111.8 | T7 E8 K13 Q14 N15 | T7-K11 WeakPolarHBondContact O-CG 3.4Å; T7-K11 PolarHBondContact O-N 3.01Å; E8-K11 PolarHBondContact O-N 3.28Å; E8-K11 IonicContact OE1-NZ 2.77Å; E8-K11 PolarHBondContact OE1-NZ 3.01Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 2.9Å; K11-Q14 PolarHBondContact O-N 3.23Å; K11-N15 WeakPolarHBondContact O-CB 3.41Å; K11-N15 PolarHBondContact O-N 3.03Å |
| 12 | L | 73.3 | Confident | 69.3 | Low | 82 Ų | 82 | 82.1 Ų | 82.1 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -44.9 | 176 | -167.4 | 77.6 | 0 | 0 | 0 | 110.3 | E8 T9 N15 L16 I63 | E8-L12 WeakPolarHBondContact O-CB 3.36Å; E8-L12 PolarHBondContact O-N 3.34Å; T9-L12 PolarHBondContact O-N 3.32Å; L12-N15 PolarHBondContact O-N 2.9Å; L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.48Å; L12-I63 HydrophobicContact CD2-CD1 3.54Å; L12-I63 HydrophobicContact CD2-CG1 4.21Å; L12-I63 HydrophobicContact CG-CD1 4.47Å |
| 13 | K | 69.6 | Low | 70.7 | Confident | 53 Ų | 53 | 78.3 Ų | 78.3 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -55.9 | -52.7 | 172.7 | 175 | -175.8 | 177 | -179.8 | 0 | 111.8 | T9 K11 N15 L16 E17 E73 L74 | T9-K13 WeakPolarHBondContact O-CB 3.43Å; T9-K13 PolarHBondContact O-N 2.96Å; K11-K13 VanDerWaalsContact C-N 3.31Å; K11-K13 PolarHBondContact O-N 2.9Å; K13-N15 PolarHBondContact O-N 3.27Å; K13-L16 PolarHBondContact O-N 2.81Å; K13-L16 VanDerWaalsContact O-N 3.11Å; K13-E17 WeakPolarHBondContact CE-OE1 3.5Å; K13-E17 HydrophobicContact CG-CG 4.49Å; K13-E17 WeakPolarHBondContact O-CG 3.31Å; K13-E17 PolarHBondContact O-N 3.22Å; K13-E73 IonicContact NZ-OE2 3.75Å; K13-E73 PolarHBondContact NZ-OE2 3.1Å; K13-L74 HydrophobicContact CG-CD2 4.18Å |
| 14 | Q | 75.8 | Confident | 71.5 | Confident | 104 Ų | 104 | 74.7 Ų | 74.7 | 49% | 0.486 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59 | -40.3 | 179.8 | -173.4 | -176.3 | -15.4 | 0 | 0 | 111.2 | S10 K11 L16 E17 E18 | S10-Q14 PolarHBondContact O-N 3Å; K11-Q14 PolarHBondContact O-N 3.23Å; Q14-L16 VanDerWaalsContact C-N 3.34Å; Q14-L16 PolarHBondContact O-N 2.67Å; Q14-E17 PolarHBondContact O-N 3.01Å; Q14-E18 PolarHBondContact NE2-OE1 2.98Å; Q14-E18 WeakPolarHBondContact O-CB 3.19Å; Q14-E18 VanDerWaalsContact O-CG 3.3Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.47Å |
| 15 | N | 80.4 | Confident | 72.5 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 41% | 0.406 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.4 | -161.9 | -100.9 | 0 | 0 | 0 | 112.3 | K11 L12 K13 E18 Q19 | K11-N15 WeakPolarHBondContact O-CB 3.41Å; K11-N15 PolarHBondContact O-N 3.03Å; L12-N15 PolarHBondContact O-N 2.9Å; K13-N15 PolarHBondContact O-N 3.27Å; N15-E18 PolarHBondContact O-N 2.62Å; N15-Q19 WeakPolarHBondContact O-CB 2.96Å; N15-Q19 VanDerWaalsContact O-CG 3.28Å; N15-Q19 WeakPolarHBondContact O-CG 3.04Å; N15-Q19 PolarHBondContact O-N 3.37Å; N15-Q19 PolarHBondContact OD1-NE2 3.25Å |
| 16 | L | 72.9 | Confident | 73.1 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69 | -38.4 | 174.8 | -67.4 | 164.5 | 0 | 0 | 0 | 111.9 | L12 K13 Q14 Q19 L20 I56 L60 I63 M77 | L12-L16 HydrophobicContact CG-CD1 4.23Å; L12-L16 VanDerWaalsContact O-CG 3.25Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.48Å; K13-L16 PolarHBondContact O-N 2.81Å; K13-L16 VanDerWaalsContact O-N 3.11Å; Q14-L16 VanDerWaalsContact C-N 3.34Å; Q14-L16 PolarHBondContact O-N 2.67Å; L16-Q19 PolarHBondContact O-N 2.88Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 2.73Å; L16-I56 HydrophobicContact CD2-CG2 4.05Å; L16-L60 HydrophobicContact CD1-CD2 3.75Å; L16-L60 HydrophobicContact CD1-CG 4.44Å; L16-I63 HydrophobicContact CD1-CD1 4.13Å; L16-M77 HydrophobicContact CB-CE 4.33Å; L16-M77 HydrophobicContact CB-SD 4.01Å |
| 17 | E | 69.6 | Low | 73.8 | Confident | 91 Ų | 91 | 65.1 Ų | 65.1 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 171.8 | -73.8 | 179.4 | -179.4 | 0 | 0 | 111 | K13 Q14 L20 D21 M77 | K13-E17 WeakPolarHBondContact CE-OE1 3.5Å; K13-E17 HydrophobicContact CG-CG 4.49Å; K13-E17 WeakPolarHBondContact O-CG 3.31Å; K13-E17 PolarHBondContact O-N 3.22Å; Q14-E17 PolarHBondContact O-N 3.01Å; E17-L20 PolarHBondContact O-N 3.07Å; E17-D21 WeakPolarHBondContact O-CB 3.12Å; E17-D21 PolarHBondContact O-N 3.42Å; E17-M77 HydrophobicContact CB-CE 4.01Å; E17-M77 HydrophobicContact CG-CE 3.15Å |
| 18 | E | 79.8 | Confident | 74 | Confident | 102 Ų | 102 | 64.2 Ų | 64.2 | 48% | 0.477 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.8 | -74.4 | 169.3 | -171.1 | 0 | 0 | 112 | Q14 N15 R22 | Q14-E18 PolarHBondContact NE2-OE1 2.98Å; Q14-E18 WeakPolarHBondContact O-CB 3.19Å; Q14-E18 VanDerWaalsContact O-CG 3.3Å; Q14-E18 WeakPolarHBondContact O-CG 3.41Å; Q14-E18 PolarHBondContact O-N 3.47Å; N15-E18 PolarHBondContact O-N 2.62Å; E18-R22 WeakPolarHBondContact O-CB 3.3Å; E18-R22 PolarHBondContact O-N 3.41Å |
| 19 | Q | 76.4 | Confident | 74.5 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 175.1 | -74.4 | -178.9 | 29.1 | 0 | 0 | 111.8 | N15 L16 R22 L23 I56 | N15-Q19 WeakPolarHBondContact O-CB 2.96Å; N15-Q19 VanDerWaalsContact O-CG 3.28Å; N15-Q19 WeakPolarHBondContact O-CG 3.04Å; N15-Q19 PolarHBondContact O-N 3.37Å; N15-Q19 PolarHBondContact OD1-NE2 3.25Å; L16-Q19 PolarHBondContact O-N 2.88Å; Q19-R22 PolarHBondContact O-N 2.9Å; Q19-L23 VanDerWaalsContact O-CG 3.3Å; Q19-L23 WeakPolarHBondContact O-CG 3.49Å; Q19-L23 PolarHBondContact O-N 3.29Å; Q19-I56 HydrophobicContact CB-CD1 4.03Å |
| 20 | L | 72.9 | Confident | 74.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 174.9 | -178.5 | 61.1 | 0 | 0 | 0 | 111.6 | L16 E17 R22 L23 V24 L53 M77 I81 A99 | L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 PolarHBondContact O-N 2.73Å; E17-L20 PolarHBondContact O-N 3.07Å; L20-R22 PolarHBondContact O-N 3.31Å; L20-L23 PolarHBondContact O-N 3.06Å; L20-V24 HydrophobicContact CD1-CG2 3.99Å; L20-V24 HydrophobicContact CG-CG2 4.27Å; L20-V24 WeakPolarHBondContact O-CB 3.28Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.25Å; L20-L53 HydrophobicContact CD1-CD2 3.52Å; L20-M77 HydrophobicContact CD2-CG 3.61Å; L20-I81 HydrophobicContact CD1-CD1 4.16Å; L20-I81 HydrophobicContact CD1-CG1 3.44Å; L20-I81 VanDerWaalsContact CD1-CG1 3.44Å; L20-I81 HydrophobicContact CD2-CD1 4.38Å; L20-I81 HydrophobicContact CD2-CG1 4.04Å; L20-I81 HydrophobicContact CG-CG1 4.33Å; L20-A99 HydrophobicContact CD2-CB 3.63Å |
| 21 | D | 75.9 | Confident | 74.8 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 23% | 0.225 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.4 | -38.9 | 177.9 | -104.6 | 11.4 | 0 | 0 | 0 | 110.3 | E17 Q25 R96 K100 | E17-D21 WeakPolarHBondContact O-CB 3.12Å; E17-D21 PolarHBondContact O-N 3.42Å; D21-Q25 WeakPolarHBondContact O-CB 3.41Å; D21-Q25 PolarHBondContact O-N 3.1Å; D21-R96 WeakPolarHBondContact OD1-CG 3.49Å; D21-R96 IonicContact OD1-NE 2.73Å; D21-R96 PolarHBondContact OD1-NE 3.48Å; D21-R96 VanDerWaalsContact OD1-NE 3.13Å; D21-R96 IonicContact OD2-CZ 3.73Å; D21-R96 IonicContact OD2-NE 2.83Å; D21-R96 PolarHBondContact OD2-NE 3.23Å; D21-R96 IonicContact OD2-NH2 3.14Å; D21-R96 PolarHBondContact OD2-NH2 3.43Å; D21-R96 VanDerWaalsContact OD2-NH2 3.1Å; D21-K100 VanDerWaalsContact OD1-CE 3.27Å; D21-K100 WeakPolarHBondContact OD1-CE 3.42Å; D21-K100 IonicContact OD1-NZ 3.99Å; D21-K100 PolarHBondContact OD1-NZ 3.32Å; D21-K100 WeakPolarHBondContact OD2-CE 3.42Å; D21-K100 IonicContact OD2-NZ 2.81Å; D21-K100 PolarHBondContact OD2-NZ 2.94Å |
| 22 | R | 83.9 | Confident | 74.7 | Confident | 168 Ų | 168 | 62.8 Ų | 62.8 | 63% | 0.634 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -65 | -46.9 | 175.6 | -175.5 | -178.9 | -178.8 | -132.3 | -1.4 | 112.5 | E18 Q19 L20 Q25 Q26 | E18-R22 WeakPolarHBondContact O-CB 3.3Å; E18-R22 PolarHBondContact O-N 3.41Å; Q19-R22 PolarHBondContact O-N 2.9Å; L20-R22 PolarHBondContact O-N 3.31Å; R22-Q25 WeakPolarHBondContact O-CB 3.43Å; R22-Q25 PolarHBondContact O-N 2.84Å; R22-Q26 WeakPolarHBondContact O-CG 3.42Å; R22-Q26 PolarHBondContact O-N 3.11Å |
| 23 | L | 76.4 | Confident | 74.4 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.7 | -38 | -179.3 | -71 | 168.5 | 0 | 0 | 0 | 111.9 | Q19 L20 Q25 Q26 L27 Q52 L53 I56 | Q19-L23 VanDerWaalsContact O-CG 3.3Å; Q19-L23 WeakPolarHBondContact O-CG 3.49Å; Q19-L23 PolarHBondContact O-N 3.29Å; L20-L23 PolarHBondContact O-N 3.06Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; L23-Q26 PolarHBondContact O-N 3.47Å; L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.32Å; L23-Q52 HydrophobicContact CD1-CB 4.27Å; L23-Q52 HydrophobicContact CD2-CB 4Å; L23-L53 HydrophobicContact CB-CD2 3.9Å; L23-L53 HydrophobicContact CB-CG 4.23Å; L23-L53 HydrophobicContact CD1-CD2 3.66Å; L23-L53 HydrophobicContact CD1-CG 3.97Å; L23-L53 HydrophobicContact CG-CD2 4.43Å; L23-I56 HydrophobicContact CD1-CD1 3.33Å |
| 24 | V | 72.3 | Confident | 74.2 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 173.8 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | L20 L27 Q28 P92 I95 R96 | L20-V24 HydrophobicContact CD1-CG2 3.99Å; L20-V24 HydrophobicContact CG-CG2 4.27Å; L20-V24 WeakPolarHBondContact O-CB 3.28Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.25Å; L20-V24 PolarHBondContact O-N 3.25Å; V24-L27 PolarHBondContact O-N 3.26Å; V24-Q28 PolarHBondContact O-N 3.49Å; V24-P92 HydrophobicContact CG1-CB 3.92Å; V24-P92 WeakPolarHBondContact CG1-O 3.18Å; V24-I95 HydrophobicContact CG2-CG2 3.97Å; V24-R96 HydrophobicContact CG1-CB 4.3Å |
| 25 | Q | 76.4 | Confident | 73.7 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 172.8 | -170.5 | 66.9 | 46.8 | 0 | 0 | 111.2 | D21 R22 L23 L27 Q28 D29 | D21-Q25 WeakPolarHBondContact O-CB 3.41Å; D21-Q25 PolarHBondContact O-N 3.1Å; R22-Q25 WeakPolarHBondContact O-CB 3.43Å; R22-Q25 PolarHBondContact O-N 2.84Å; L23-Q25 VanDerWaalsContact C-N 3.33Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 2.9Å; Q25-Q28 WeakPolarHBondContact O-CB 3.27Å; Q25-Q28 PolarHBondContact O-N 2.93Å; Q25-Q28 VanDerWaalsContact O-N 3.11Å; Q25-D29 PolarHBondContact NE2-OD1 3.39Å; Q25-D29 PolarHBondContact O-N 3.4Å |
| 26 | Q | 74.5 | Confident | 73 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 29% | 0.285 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.5 | -72.8 | 178.7 | -64.6 | 0 | 0 | 112.3 | R22 L23 Q28 D29 L30 T49 | R22-Q26 WeakPolarHBondContact O-CG 3.42Å; R22-Q26 PolarHBondContact O-N 3.11Å; L23-Q26 PolarHBondContact O-N 3.47Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q26-D29 PolarHBondContact O-N 2.95Å; Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 WeakPolarHBondContact O-CG 3.36Å; Q26-L30 PolarHBondContact O-N 3.48Å; Q26-T49 HydrophobicContact CB-CG2 4.26Å |
| 27 | L | 75.4 | Confident | 72.6 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 8% | 0.079 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 173.4 | -74.3 | 173.4 | 0 | 0 | 0 | 112 | L23 V24 Q25 L30 E31 K46 T49 L53 | L23-L27 WeakPolarHBondContact O-CG 3.46Å; L23-L27 PolarHBondContact O-N 3.32Å; V24-L27 PolarHBondContact O-N 3.26Å; Q25-L27 VanDerWaalsContact C-N 3.32Å; Q25-L27 PolarHBondContact O-N 2.9Å; L27-L30 PolarHBondContact O-N 3.28Å; L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.95Å; L27-K46 HydrophobicContact CD2-CG 4.25Å; L27-T49 WeakPolarHBondContact CD2-OG1 3.33Å; L27-L53 HydrophobicContact CD1-CD1 3.88Å |
| 28 | Q | 69.9 | Low | 72.9 | Confident | 45 Ų | 45 | 78.9 Ų | 78.9 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.8 | -49 | 175 | -177.8 | -179.4 | -15.9 | 0 | 0 | 111.6 | V24 Q25 Q26 L30 E31 E32 P92 | V24-Q28 PolarHBondContact O-N 3.49Å; Q25-Q28 WeakPolarHBondContact O-CB 3.27Å; Q25-Q28 PolarHBondContact O-N 2.93Å; Q25-Q28 VanDerWaalsContact O-N 3.11Å; Q26-Q28 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 2.94Å; Q28-E31 PolarHBondContact O-N 3.4Å; Q28-E32 PolarHBondContact NE2-OE1 3.28Å; Q28-E32 PolarHBondContact O-N 3.48Å; Q28-P92 HydrophobicContact CB-CB 3.95Å; Q28-P92 HydrophobicContact CB-CG 4.03Å |
| 29 | D | 76.6 | Confident | 72.4 | Confident | 70 Ų | 70 | 77.5 Ų | 77.5 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 179.4 | -59.2 | -14.4 | 0 | 0 | 0 | 110.4 | Q25 Q26 E32 C33 | Q25-D29 PolarHBondContact NE2-OD1 3.39Å; Q25-D29 PolarHBondContact O-N 3.4Å; Q26-D29 PolarHBondContact O-N 2.95Å; D29-E32 PolarHBondContact O-N 3.13Å; D29-C33 WeakPolarHBondContact O-CB 3.02Å; D29-C33 PolarHBondContact O-N 2.91Å; D29-C33 PolarHBondContact O-SG 3.14Å; D29-C33 VanDerWaalsContact O-SG 3.41Å |
| 30 | L | 74 | Confident | 72.3 | Confident | 21 Ų | 21 | 80.1 Ų | 80.1 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 172.8 | -75 | 171.6 | 0 | 0 | 0 | 113.1 | Q26 L27 Q28 R34 L37 Y42 T45 T49 | Q26-L30 WeakPolarHBondContact O-CB 3.41Å; Q26-L30 WeakPolarHBondContact O-CG 3.36Å; Q26-L30 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 3.28Å; Q28-L30 PolarHBondContact O-N 2.94Å; L30-R34 PolarHBondContact O-N 3.17Å; L30-R34 VanDerWaalsContact O-N 3.14Å; L30-L37 HydrophobicContact CD2-CD1 3.96Å; L30-Y42 HydrophobicContact CB-CD2 4.42Å; L30-Y42 HydrophobicContact CB-CE2 4.17Å; L30-Y42 WeakPolarHBondContact O-CE2 3.42Å; L30-T45 HydrophobicContact CD1-CG2 3.93Å; L30-T45 HydrophobicContact CD2-CG2 3.83Å; L30-T45 HydrophobicContact CG-CG2 4.46Å; L30-T49 HydrophobicContact CD1-CG2 4.41Å |
| 31 | E | 69.3 | Low | 72.2 | Confident | 74 Ų | 74 | 84.9 Ų | 84.9 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -70.6 | -36.1 | 175.5 | -75.8 | -170.5 | 169.5 | 0 | 0 | 112.4 | L27 Q28 R34 K90 P92 | L27-E31 WeakPolarHBondContact O-CG 3.35Å; L27-E31 PolarHBondContact O-N 2.95Å; Q28-E31 PolarHBondContact O-N 3.4Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 3.09Å; E31-K90 VanDerWaalsContact OE1-O 3.12Å; E31-P92 VanDerWaalsContact OE2-CD 3.26Å; E31-P92 WeakPolarHBondContact OE2-CD 3.28Å |
| 32 | E | 72.4 | Confident | 72.1 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 61% | 0.607 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.5 | -41.2 | 174.7 | -70.9 | -179.9 | -164.4 | 0 | 0 | 111.6 | Q28 D29 R34 | Q28-E32 PolarHBondContact NE2-OE1 3.28Å; Q28-E32 PolarHBondContact O-N 3.48Å; D29-E32 PolarHBondContact O-N 3.13Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 3.49Å |
| 33 | C | 68.2 | Low | 71.5 | Confident | 52 Ų | 52 | 82.3 Ų | 82.3 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -85 | 7.7 | 177.9 | -64.5 | 0 | 0 | 0 | 0 | 113.9 | D29 E35 E36 L37 | D29-C33 WeakPolarHBondContact O-CB 3.02Å; D29-C33 PolarHBondContact O-N 2.91Å; D29-C33 PolarHBondContact O-SG 3.14Å; D29-C33 VanDerWaalsContact O-SG 3.41Å; C33-E35 PolarHBondContact O-N 3.46Å; C33-E35 VanDerWaalsContact O-N 3.16Å; C33-E36 PolarHBondContact O-N 2.83Å; C33-L37 HydrophobicContact CB-CD1 3.83Å; C33-L37 HydrophobicContact CB-CG 4.34Å; C33-L37 WeakPolarHBondContact O-CG 3.25Å; C33-L37 PolarHBondContact O-N 2.73Å |
| 34 | R | 65.9 | Low | 71.4 | Confident | 160 Ų | 160 | 88.1 Ų | 88.1 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -59.9 | -28.6 | -176.5 | -174.5 | 179.9 | 178.4 | -165.4 | -0.9 | 113.5 | L30 E31 E32 E36 Y42 | L30-R34 PolarHBondContact O-N 3.17Å; L30-R34 VanDerWaalsContact O-N 3.14Å; E31-R34 VanDerWaalsContact O-CB 3.28Å; E31-R34 WeakPolarHBondContact O-CB 3.34Å; E31-R34 PolarHBondContact O-N 3.09Å; E32-R34 VanDerWaalsContact C-N 3.27Å; E32-R34 PolarHBondContact O-N 3.49Å; R34-E36 VanDerWaalsContact C-N 3.33Å; R34-Y42 HydrophobicContact CB-CD2 4.37Å; R34-Y42 HydrophobicContact CB-CE2 4.29Å; R34-Y42 HydrophobicContact CG-CD2 4.18Å; R34-Y42 HydrophobicContact CG-CE2 4.15Å; R34-Y42 HydrophobicContact CG-CG 4.5Å |
| 35 | E | 64.5 | Low | 71.4 | Confident | 197 Ų | 197 | 90.2 Ų | 90.2 | 92% | 0.921 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -79.8 | -17 | 177.6 | -63.6 | -171.8 | 172 | 0 | 0 | 113 | C33 | C33-E35 PolarHBondContact O-N 3.46Å; C33-E35 VanDerWaalsContact O-N 3.16Å |
| 36 | E | 65.7 | Low | 71.2 | Confident | 176 Ų | 176 | 88.5 Ų | 88.5 | 82% | 0.822 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -17.6 | -179.3 | -60.8 | -172.3 | 177 | 0 | 0 | 113 | C33 R34 | C33-E36 PolarHBondContact O-N 2.83Å; R34-E36 VanDerWaalsContact C-N 3.33Å |
| 37 | L | 64.2 | Low | 71.2 | Confident | 49 Ų | 49 | 91.7 Ų | 91.7 | 26% | 0.257 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -97.2 | 143.5 | -179.1 | -70.6 | 162.5 | 0 | 0 | 0 | 111.7 | L30 C33 E41 | L30-L37 HydrophobicContact CD2-CD1 3.96Å; C33-L37 HydrophobicContact CB-CD1 3.83Å; C33-L37 HydrophobicContact CB-CG 4.34Å; C33-L37 WeakPolarHBondContact O-CG 3.25Å; C33-L37 PolarHBondContact O-N 2.73Å; L37-E41 HydrophobicContact CD2-CG 4.3Å |
| 38 | D | 76.2 | Confident | 71.3 | Confident | 124 Ų | 124 | 96 Ų | 96 | 66% | 0.663 | 47% | 0.472 | S | S | * | . | trans | -65 | 146.1 | 170.6 | -81.1 | -36 | 0 | 0 | 0 | 110.5 | D40 E41 Y42 | D38-D40 PolarHBondContact O-N 3.4Å; D38-E41 HydrophobicContact CB-CB 4.34Å; D38-E41 PolarHBondContact O-N 3.43Å; D38-Y42 PolarHBondContact O-N 3.32Å | ||
| 39 | A | 70.1 | Confident | 71.6 | Confident | 74 Ų | 74 | 94.1 Ų | 94.1 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -56.7 | -36.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E43 | A39-E43 WeakPolarHBondContact O-CB 3.41Å; A39-E43 WeakPolarHBondContact O-CG 3.27Å; A39-E43 PolarHBondContact O-N 2.99Å |
| 40 | D | 73.4 | Confident | 71.3 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -70.5 | -40.9 | 178.2 | -63.3 | -27.9 | 0 | 0 | 0 | 111.5 | D38 E43 E44 | D38-D40 PolarHBondContact O-N 3.4Å; D40-E43 PolarHBondContact O-N 3.18Å; D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 PolarHBondContact O-N 3.06Å |
| 41 | E | 70.9 | Confident | 71.4 | Confident | 104 Ų | 104 | 96.1 Ų | 96.1 | 49% | 0.486 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.6 | -38.4 | 179 | -168.5 | 172.8 | -166.4 | 0 | 0 | 111.5 | L37 D38 T45 | L37-E41 HydrophobicContact CD2-CG 4.3Å; D38-E41 HydrophobicContact CB-CB 4.34Å; D38-E41 PolarHBondContact O-N 3.43Å; E41-T45 WeakPolarHBondContact O-CB 3.47Å; E41-T45 PolarHBondContact O-N 3.02Å; E41-T45 PolarHBondContact O-OG1 3.36Å |
| 42 | Y | 73.6 | Confident | 71.7 | Confident | 21 Ų | 21 | 96.6 Ų | 96.6 | 8% | 0.082 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -62.9 | -47.4 | 171.9 | 172.7 | -96 | 0 | 0 | 0 | 111.6 | L30 R34 D38 K46 | L30-Y42 HydrophobicContact CB-CD2 4.42Å; L30-Y42 HydrophobicContact CB-CE2 4.17Å; L30-Y42 WeakPolarHBondContact O-CE2 3.42Å; R34-Y42 HydrophobicContact CB-CD2 4.37Å; R34-Y42 HydrophobicContact CB-CE2 4.29Å; R34-Y42 HydrophobicContact CG-CD2 4.18Å; R34-Y42 HydrophobicContact CG-CE2 4.15Å; R34-Y42 HydrophobicContact CG-CG 4.5Å; D38-Y42 PolarHBondContact O-N 3.32Å; Y42-K46 HydrophobicContact CE1-CD 3.82Å; Y42-K46 WeakPolarHBondContact O-CB 3.38Å; Y42-K46 PolarHBondContact O-N 3.25Å; Y42-K46 PolarHBondContact OH-NZ 3.16Å |
| 43 | E | 71.1 | Confident | 71.7 | Confident | 136 Ų | 136 | 90.4 Ų | 90.4 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -65.4 | -39.7 | 179.8 | -79.5 | -163.2 | 174 | 0 | 0 | 112.3 | A39 D40 K47 | A39-E43 WeakPolarHBondContact O-CB 3.41Å; A39-E43 WeakPolarHBondContact O-CG 3.27Å; A39-E43 PolarHBondContact O-N 2.99Å; D40-E43 PolarHBondContact O-N 3.18Å; E43-K47 WeakPolarHBondContact O-CB 3.41Å; E43-K47 PolarHBondContact O-N 3.43Å |
| 44 | E | 74 | Confident | 71.9 | Confident | 129 Ų | 129 | 90.1 Ų | 90.1 | 60% | 0.603 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -65.7 | -50.3 | 177.8 | -169.5 | 166.7 | -156.1 | 0 | 0 | 111.5 | D40 K46 K47 E48 | D40-E44 WeakPolarHBondContact O-CB 3.34Å; D40-E44 PolarHBondContact O-N 3.06Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.5Å; E44-K47 WeakPolarHBondContact O-CB 3.33Å; E44-K47 PolarHBondContact O-N 2.99Å; E44-K47 VanDerWaalsContact O-N 3.08Å; E44-E48 PolarHBondContact O-N 3.39Å |
| 45 | T | 72.9 | Confident | 72.4 | Confident | 48 Ų | 48 | 89 Ų | 89 | 29% | 0.294 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.4 | -36 | -179.5 | -42.5 | 0 | 0 | 0 | 0 | 111.9 | L30 E41 T49 | L30-T45 HydrophobicContact CD1-CG2 3.93Å; L30-T45 HydrophobicContact CD2-CG2 3.83Å; L30-T45 HydrophobicContact CG-CG2 4.46Å; E41-T45 WeakPolarHBondContact O-CB 3.47Å; E41-T45 PolarHBondContact O-N 3.02Å; E41-T45 PolarHBondContact O-OG1 3.36Å; T45-T49 WeakPolarHBondContact O-CG2 3.45Å; T45-T49 PolarHBondContact O-N 3.1Å; T45-T49 VanDerWaalsContact O-N 3.08Å; T45-T49 PolarHBondContact O-OG1 2.98Å |
| 46 | K | 71.9 | Confident | 72.8 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 17% | 0.174 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 172 | -176.2 | 173.8 | -171.2 | 164.4 | 0 | 111.4 | L27 Y42 E44 T49 L50 | L27-K46 HydrophobicContact CD2-CG 4.25Å; Y42-K46 HydrophobicContact CE1-CD 3.82Å; Y42-K46 WeakPolarHBondContact O-CB 3.38Å; Y42-K46 PolarHBondContact O-N 3.25Å; Y42-K46 PolarHBondContact OH-NZ 3.16Å; E44-K46 VanDerWaalsContact C-N 3.32Å; E44-K46 PolarHBondContact O-N 3.5Å; K46-T49 WeakPolarHBondContact CA-OG1 3.49Å; K46-T49 PolarHBondContact O-N 3.37Å; K46-T49 PolarHBondContact O-OG1 3.26Å; K46-L50 HydrophobicContact CG-CD1 4.04Å; K46-L50 WeakPolarHBondContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CD1 3.43Å; K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 2.89Å |
| 47 | K | 75.6 | Confident | 73 | Confident | 129 Ų | 129 | 72 Ų | 72 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.4 | -43.4 | 178.3 | -174.2 | -177.2 | 171.7 | -163.2 | 0 | 111.3 | E43 E44 T49 L50 E51 | E43-K47 WeakPolarHBondContact O-CB 3.41Å; E43-K47 PolarHBondContact O-N 3.43Å; E44-K47 WeakPolarHBondContact O-CB 3.33Å; E44-K47 PolarHBondContact O-N 2.99Å; E44-K47 VanDerWaalsContact O-N 3.08Å; K47-T49 PolarHBondContact O-N 3.45Å; K47-L50 PolarHBondContact O-N 3.11Å; K47-E51 VanDerWaalsContact CE-OE1 3.3Å; K47-E51 WeakPolarHBondContact CE-OE1 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.45Å; K47-E51 PolarHBondContact O-N 3.34Å |
| 48 | E | 77.2 | Confident | 73.4 | Confident | 104 Ų | 104 | 73.3 Ų | 73.3 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.9 | -44.3 | 175.8 | -72.2 | -170 | 160.8 | 0 | 0 | 112.4 | E44 L50 E51 Q52 | E44-E48 PolarHBondContact O-N 3.39Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 2.97Å; E48-E51 PolarHBondContact O-N 2.99Å; E48-Q52 WeakPolarHBondContact O-CG 3.44Å; E48-Q52 PolarHBondContact O-N 3.31Å |
| 49 | T | 76.1 | Confident | 73.2 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.043 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 176.9 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | Q26 L27 L30 T45 K46 K47 L53 | Q26-T49 HydrophobicContact CB-CG2 4.26Å; L27-T49 WeakPolarHBondContact CD2-OG1 3.33Å; L30-T49 HydrophobicContact CD1-CG2 4.41Å; T45-T49 WeakPolarHBondContact O-CG2 3.45Å; T45-T49 PolarHBondContact O-N 3.1Å; T45-T49 VanDerWaalsContact O-N 3.08Å; T45-T49 PolarHBondContact O-OG1 2.98Å; K46-T49 WeakPolarHBondContact CA-OG1 3.49Å; K46-T49 PolarHBondContact O-N 3.37Å; K46-T49 PolarHBondContact O-OG1 3.26Å; K47-T49 PolarHBondContact O-N 3.45Å; T49-L53 WeakPolarHBondContact O-CG 3.43Å; T49-L53 PolarHBondContact O-N 3.06Å; T49-L53 VanDerWaalsContact O-N 3.07Å |
| 50 | L | 69.9 | Low | 73.2 | Confident | 27 Ų | 27 | 66.5 Ų | 66.5 | 14% | 0.141 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 172.9 | -68.6 | 168.9 | 0 | 0 | 0 | 112.7 | K46 K47 E48 L53 S54 A84 | K46-L50 HydrophobicContact CG-CD1 4.04Å; K46-L50 WeakPolarHBondContact O-CB 3.28Å; K46-L50 WeakPolarHBondContact O-CD1 3.43Å; K46-L50 WeakPolarHBondContact O-CG 3.4Å; K46-L50 PolarHBondContact O-N 2.89Å; K47-L50 PolarHBondContact O-N 3.11Å; E48-L50 VanDerWaalsContact C-N 3.32Å; E48-L50 PolarHBondContact O-N 2.97Å; L50-L53 HydrophobicContact CD2-CD1 4.39Å; L50-L53 WeakPolarHBondContact O-CB 3.32Å; L50-L53 PolarHBondContact O-N 3.38Å; L50-S54 PolarHBondContact O-N 3.37Å; L50-A84 WeakPolarHBondContact CD2-O 3.4Å |
| 51 | E | 77.1 | Confident | 72.9 | Confident | 105 Ų | 105 | 64.2 Ų | 64.2 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 174.1 | -77 | 178.3 | -173.9 | 0 | 0 | 110.9 | K47 E48 L53 S54 E55 | K47-E51 VanDerWaalsContact CE-OE1 3.3Å; K47-E51 WeakPolarHBondContact CE-OE1 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.45Å; K47-E51 PolarHBondContact O-N 3.34Å; E48-E51 PolarHBondContact O-N 2.99Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.83Å; E51-S54 WeakPolarHBondContact O-CA 3.4Å; E51-S54 VanDerWaalsContact O-CB 3.31Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 3.07Å; E51-E55 PolarHBondContact O-N 3.21Å |
| 52 | Q | 74.1 | Confident | 72.9 | Confident | 85 Ų | 85 | 67 Ų | 67 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.9 | -40.1 | 174.5 | -70.7 | 176.4 | 10.3 | 0 | 0 | 112.3 | L23 E48 S54 E55 I56 | L23-Q52 HydrophobicContact CD1-CB 4.27Å; L23-Q52 HydrophobicContact CD2-CB 4Å; E48-Q52 WeakPolarHBondContact O-CG 3.44Å; E48-Q52 PolarHBondContact O-N 3.31Å; Q52-S54 VanDerWaalsContact C-N 3.3Å; Q52-S54 PolarHBondContact O-N 3.06Å; Q52-E55 PolarHBondContact O-N 2.9Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 3.38Å; Q52-I56 VanDerWaalsContact O-N 3.13Å |
| 53 | L | 73.6 | Confident | 72.5 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -37.8 | 172.5 | -76.2 | 171.1 | 0 | 0 | 0 | 112 | L20 L23 L27 T49 L50 E51 I56 N57 I81 A84 I85 | L20-L53 HydrophobicContact CD1-CD2 3.52Å; L23-L53 HydrophobicContact CB-CD2 3.9Å; L23-L53 HydrophobicContact CB-CG 4.23Å; L23-L53 HydrophobicContact CD1-CD2 3.66Å; L23-L53 HydrophobicContact CD1-CG 3.97Å; L23-L53 HydrophobicContact CG-CD2 4.43Å; L27-L53 HydrophobicContact CD1-CD1 3.88Å; T49-L53 WeakPolarHBondContact O-CG 3.43Å; T49-L53 PolarHBondContact O-N 3.06Å; T49-L53 VanDerWaalsContact O-N 3.07Å; L50-L53 HydrophobicContact CD2-CD1 4.39Å; L50-L53 WeakPolarHBondContact O-CB 3.32Å; L50-L53 PolarHBondContact O-N 3.38Å; E51-L53 VanDerWaalsContact C-N 3.33Å; E51-L53 PolarHBondContact O-N 2.83Å; L53-I56 PolarHBondContact O-N 3.14Å; L53-N57 PolarHBondContact O-N 2.74Å; L53-I81 HydrophobicContact CB-CG2 4.19Å; L53-I81 HydrophobicContact CD2-CG1 4.32Å; L53-I81 HydrophobicContact CD2-CG2 4.47Å; L53-I81 WeakPolarHBondContact O-CG2 3.48Å; L53-A84 HydrophobicContact CD1-CB 3.92Å; L53-I85 HydrophobicContact CB-CD1 4.27Å; L53-I85 HydrophobicContact CB-CG1 3.93Å |
| 54 | S | 70.8 | Confident | 72.1 | Confident | 46 Ų | 46 | 62.7 Ų | 62.7 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 112.3 | L50 E51 Q52 I56 N57 D58 | L50-S54 PolarHBondContact O-N 3.37Å; E51-S54 WeakPolarHBondContact O-CA 3.4Å; E51-S54 VanDerWaalsContact O-CB 3.31Å; E51-S54 WeakPolarHBondContact O-CB 3.38Å; E51-S54 PolarHBondContact O-N 3.07Å; Q52-S54 VanDerWaalsContact C-N 3.3Å; Q52-S54 PolarHBondContact O-N 3.06Å; S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 3.41Å; S54-N57 VanDerWaalsContact O-CB 3.31Å; S54-N57 WeakPolarHBondContact O-CB 3.5Å; S54-N57 PolarHBondContact O-N 3.43Å; S54-N57 VanDerWaalsContact O-N 3.1Å; S54-D58 PolarHBondContact O-N 3.4Å |
| 55 | E | 77.1 | Confident | 71.4 | Confident | 135 Ų | 135 | 61.6 Ų | 61.6 | 63% | 0.631 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.3 | -37.2 | 176.7 | -68.8 | -174.2 | 171.1 | 0 | 0 | 112.3 | E51 Q52 D58 S59 | E51-E55 PolarHBondContact O-N 3.21Å; Q52-E55 PolarHBondContact O-N 2.9Å; E55-D58 PolarHBondContact O-N 2.92Å; E55-S59 WeakPolarHBondContact O-CB 3.47Å; E55-S59 PolarHBondContact O-N 3.42Å; E55-S59 PolarHBondContact O-OG 2.82Å |
| 56 | I | 74.1 | Confident | 70.8 | Confident | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 172.9 | -66.1 | 172.5 | 0 | 0 | 0 | 110.4 | L16 Q19 L23 Q52 L53 S54 D58 S59 L60 I81 | L16-I56 HydrophobicContact CD2-CG2 4.05Å; Q19-I56 HydrophobicContact CB-CD1 4.03Å; L23-I56 HydrophobicContact CD1-CD1 3.33Å; Q52-I56 WeakPolarHBondContact O-CG1 3.37Å; Q52-I56 PolarHBondContact O-N 3.38Å; Q52-I56 VanDerWaalsContact O-N 3.13Å; L53-I56 PolarHBondContact O-N 3.14Å; S54-I56 VanDerWaalsContact C-N 3.3Å; S54-I56 PolarHBondContact O-N 3.41Å; I56-D58 PolarHBondContact O-N 3.02Å; I56-S59 WeakPolarHBondContact O-CB 3.47Å; I56-S59 PolarHBondContact O-N 3Å; I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.41Å; I56-L60 WeakPolarHBondContact O-CB 3.15Å; I56-L60 WeakPolarHBondContact O-CG 3.38Å; I56-L60 PolarHBondContact O-N 3.08Å; I56-I81 HydrophobicContact CG2-CD1 3.7Å |
| 57 | N | 69.1 | Low | 70.1 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.2 | -46 | 175.7 | -161.2 | -52 | 0 | 0 | 0 | 111.6 | L53 S54 S59 L60 K61 Q78 I81 I85 | L53-N57 PolarHBondContact O-N 2.74Å; S54-N57 VanDerWaalsContact O-CB 3.31Å; S54-N57 WeakPolarHBondContact O-CB 3.5Å; S54-N57 PolarHBondContact O-N 3.43Å; S54-N57 VanDerWaalsContact O-N 3.1Å; N57-S59 VanDerWaalsContact C-N 3.29Å; N57-S59 PolarHBondContact O-N 3.1Å; N57-L60 WeakPolarHBondContact O-CB 3.39Å; N57-L60 PolarHBondContact O-N 3.48Å; N57-K61 WeakPolarHBondContact O-CG 3.17Å; N57-K61 PolarHBondContact O-N 2.91Å; N57-K61 VanDerWaalsContact OD1-CE 3.28Å; N57-K61 WeakPolarHBondContact OD1-CE 3.47Å; N57-Q78 PolarHBondContact OD1-NE2 3.13Å; N57-I81 HydrophobicContact CB-CG2 3.79Å; N57-I85 HydrophobicContact CB-CD1 4.38Å |
| 58 | D | 73.2 | Confident | 69 | Low | 77 Ų | 77 | 64.9 Ų | 64.9 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 179 | -74 | -20.4 | 0 | 0 | 0 | 112 | S54 E55 I56 K61 K62 | S54-D58 PolarHBondContact O-N 3.4Å; E55-D58 PolarHBondContact O-N 2.92Å; I56-D58 PolarHBondContact O-N 3.02Å; D58-K61 PolarHBondContact O-N 2.86Å; D58-K62 WeakPolarHBondContact O-CG 3.19Å; D58-K62 PolarHBondContact O-N 3.21Å; D58-K62 VanDerWaalsContact O-N 3.08Å |
| 59 | S | 72.1 | Confident | 68.1 | Low | 56 Ų | 56 | 65.4 Ų | 65.4 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 172.6 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | E55 I56 N57 K62 I63 | E55-S59 WeakPolarHBondContact O-CB 3.47Å; E55-S59 PolarHBondContact O-N 3.42Å; E55-S59 PolarHBondContact O-OG 2.82Å; I56-S59 WeakPolarHBondContact O-CB 3.47Å; I56-S59 PolarHBondContact O-N 3Å; N57-S59 VanDerWaalsContact C-N 3.29Å; N57-S59 PolarHBondContact O-N 3.1Å; S59-K62 PolarHBondContact O-N 2.7Å; S59-I63 WeakPolarHBondContact O-CD1 3.37Å; S59-I63 WeakPolarHBondContact O-CG1 3.34Å; S59-I63 PolarHBondContact O-N 3.02Å; S59-I63 VanDerWaalsContact O-N 3.08Å |
| 60 | L | 68.3 | Low | 67.2 | Low | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.9 | -44.7 | 174.1 | -79.6 | 166.7 | 0 | 0 | 0 | 111.8 | L16 I56 N57 K62 I63 M64 L74 M77 I81 | L16-L60 HydrophobicContact CD1-CD2 3.75Å; L16-L60 HydrophobicContact CD1-CG 4.44Å; I56-L60 HydrophobicContact CG2-CD1 4Å; I56-L60 HydrophobicContact CG2-CG 4.41Å; I56-L60 WeakPolarHBondContact O-CB 3.15Å; I56-L60 WeakPolarHBondContact O-CG 3.38Å; I56-L60 PolarHBondContact O-N 3.08Å; N57-L60 WeakPolarHBondContact O-CB 3.39Å; N57-L60 PolarHBondContact O-N 3.48Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 3.38Å; L60-I63 PolarHBondContact O-N 2.88Å; L60-I63 VanDerWaalsContact O-N 3.14Å; L60-M64 WeakPolarHBondContact O-CB 3.28Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.46Å; L60-M64 PolarHBondContact O-N 3Å; L60-L74 HydrophobicContact CD2-CB 4.38Å; L60-L74 HydrophobicContact CD2-CD1 4.09Å; L60-L74 HydrophobicContact CD2-CD2 3.99Å; L60-L74 HydrophobicContact CD2-CG 4.39Å; L60-M77 HydrophobicContact CD1-CG 4.2Å; L60-M77 HydrophobicContact CD1-SD 3.83Å; L60-M77 HydrophobicContact CD2-SD 4.13Å; L60-I81 HydrophobicContact CD1-CD1 3.37Å |
| 61 | K | 67.9 | Low | 66.6 | Low | 84 Ų | 84 | 66.7 Ų | 66.7 | 37% | 0.365 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | 175.9 | -79.6 | 178.6 | 179 | 174 | 0 | 112.2 | N57 D58 S65 Q78 | N57-K61 WeakPolarHBondContact O-CG 3.17Å; N57-K61 PolarHBondContact O-N 2.91Å; N57-K61 VanDerWaalsContact OD1-CE 3.28Å; N57-K61 WeakPolarHBondContact OD1-CE 3.47Å; D58-K61 PolarHBondContact O-N 2.86Å; K61-S65 PolarHBondContact O-N 3.02Å; K61-Q78 VanDerWaalsContact CE-NE2 3.31Å |
| 62 | K | 70.9 | Confident | 65.7 | Low | 161 Ų | 161 | 67.6 Ų | 67.6 | 70% | 0.7 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -67.3 | -34.2 | 176.2 | -75.5 | 173.7 | -177.3 | 169.9 | 0 | 113 | D58 S59 L60 S65 | D58-K62 WeakPolarHBondContact O-CG 3.19Å; D58-K62 PolarHBondContact O-N 3.21Å; D58-K62 VanDerWaalsContact O-N 3.08Å; S59-K62 PolarHBondContact O-N 2.7Å; L60-K62 VanDerWaalsContact C-N 3.31Å; L60-K62 PolarHBondContact O-N 3.38Å; K62-S65 PolarHBondContact O-OG 2.95Å |
| 63 | I | 65.8 | Low | 65 | Low | 45 Ų | 45 | 68.7 Ų | 68.7 | 23% | 0.231 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.4 | -43.1 | 176.4 | -65.5 | 158.3 | 0 | 0 | 0 | 110.1 | L12 L16 S59 L60 S65 G66 D67 L70 L74 | L12-I63 HydrophobicContact CD2-CD1 3.54Å; L12-I63 HydrophobicContact CD2-CG1 4.21Å; L12-I63 HydrophobicContact CG-CD1 4.47Å; L16-I63 HydrophobicContact CD1-CD1 4.13Å; S59-I63 WeakPolarHBondContact O-CD1 3.37Å; S59-I63 WeakPolarHBondContact O-CG1 3.34Å; S59-I63 PolarHBondContact O-N 3.02Å; S59-I63 VanDerWaalsContact O-N 3.08Å; L60-I63 PolarHBondContact O-N 2.88Å; L60-I63 VanDerWaalsContact O-N 3.14Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 2.66Å; I63-G66 PolarHBondContact O-N 3.47Å; I63-G66 VanDerWaalsContact O-N 3.1Å; I63-D67 PolarHBondContact O-N 2.93Å; I63-L70 HydrophobicContact CG2-CD1 4.12Å; I63-L74 HydrophobicContact CG2-CD1 4.27Å |
| 64 | M | 62 | Low | 64.5 | Low | 23 Ų | 23 | 68.9 Ų | 68.9 | 11% | 0.113 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65 | -31.3 | 178.5 | -74.4 | 175.1 | 68.2 | 0 | 0 | 113.1 | L60 G66 V71 L74 Q78 | L60-M64 WeakPolarHBondContact O-CB 3.28Å; L60-M64 VanDerWaalsContact O-CG 3.25Å; L60-M64 WeakPolarHBondContact O-CG 3.46Å; L60-M64 PolarHBondContact O-N 3Å; M64-G66 PolarHBondContact O-N 3.46Å; M64-V71 HydrophobicContact CB-CG2 4.12Å; M64-V71 HydrophobicContact CE-CB 4.28Å; M64-V71 HydrophobicContact CE-CG1 3.85Å; M64-V71 HydrophobicContact CE-CG2 4.42Å; M64-V71 VanDerWaalsContact O-CG2 3.31Å; M64-V71 WeakPolarHBondContact O-CG2 3.42Å; M64-L74 HydrophobicContact CG-CB 4.15Å; M64-L74 HydrophobicContact CG-CD1 4.22Å; M64-L74 HydrophobicContact SD-CB 4.04Å; M64-Q78 HydrophobicContact SD-CB 4.39Å; M64-Q78 PolarHBondContact SD-OE1 3.46Å |
| 65 | S | 59.6 | Low | 64 | Low | 105 Ų | 105 | 68.1 Ų | 68.1 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -19.3 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 113.4 | K61 K62 I63 | K61-S65 PolarHBondContact O-N 3.02Å; K62-S65 PolarHBondContact O-OG 2.95Å; I63-S65 VanDerWaalsContact C-N 3.32Å; I63-S65 PolarHBondContact O-N 2.66Å |
| 66 | G | 60.9 | Low | 63.4 | Low | 63 Ų | 63 | 62.1 Ų | 62.1 | 65% | 0.649 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -30.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I63 M64 | I63-G66 PolarHBondContact O-N 3.47Å; I63-G66 VanDerWaalsContact O-N 3.1Å; M64-G66 PolarHBondContact O-N 3.46Å |
| 67 | D | 55.9 | Low | 63 | Low | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 35% | 0.35 | S | S | . | . | trans | -133.2 | 99 | -173.8 | -105.1 | -34.3 | 0 | 0 | 0 | 111.8 | I63 T69 L70 | I63-D67 PolarHBondContact O-N 2.93Å; D67-T69 PolarHBondContact O-N 3.49Å; D67-L70 HydrophobicContact CB-CB 4.25Å; D67-L70 HydrophobicContact CB-CD1 3.45Å; D67-L70 VanDerWaalsContact CB-CD1 3.45Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 PolarHBondContact O-N 3.33Å | ||
| 68 | M | 52.5 | Low | 62.8 | Low | 149 Ų | 149 | 62.2 Ų | 62.2 | 73% | 0.734 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.5 | -26.8 | -179.9 | -80.5 | -96.6 | -177.3 | 0 | 0 | 113.9 | L70 V71 F178 | M68-L70 VanDerWaalsContact C-N 3.34Å; M68-V71 WeakPolarHBondContact O-CB 3.5Å; M68-F178 HydrophobicContact SD-CE2 4.3Å |
| 69 | T | 59.2 | Low | 62.4 | Low | 114 Ų | 114 | 60.2 Ų | 60.2 | 70% | 0.699 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -76.5 | -21.5 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | D67 | D67-T69 PolarHBondContact O-N 3.49Å |
| 70 | L | 56.4 | Low | 61.9 | Low | 17 Ų | 17 | 57.5 Ų | 57.5 | 9% | 0.089 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -86 | -16 | 177.1 | -68.6 | 166.6 | 0 | 0 | 0 | 112.7 | T9 I63 D67 M68 D72 E73 L74 | T9-L70 HydrophobicContact CG2-CD1 3.17Å; T9-L70 HydrophobicContact CG2-CD2 3.25Å; T9-L70 HydrophobicContact CG2-CG 3.73Å; I63-L70 HydrophobicContact CG2-CD1 4.12Å; D67-L70 HydrophobicContact CB-CB 4.25Å; D67-L70 HydrophobicContact CB-CD1 3.45Å; D67-L70 VanDerWaalsContact CB-CD1 3.45Å; D67-L70 HydrophobicContact CB-CG 3.99Å; D67-L70 PolarHBondContact O-N 3.33Å; M68-L70 VanDerWaalsContact C-N 3.34Å; L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.15Å; L70-E73 PolarHBondContact O-N 2.75Å; L70-L74 HydrophobicContact CB-CD1 3.9Å; L70-L74 HydrophobicContact CB-CG 4.42Å; L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.4Å |
| 71 | V | 57.7 | Low | 61.8 | Low | 45 Ų | 45 | 57.5 Ų | 57.5 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | -178.4 | 175 | 0 | 0 | 0 | 0 | 110.9 | M64 M68 S75 | M64-V71 HydrophobicContact CB-CG2 4.12Å; M64-V71 HydrophobicContact CE-CB 4.28Å; M64-V71 HydrophobicContact CE-CG1 3.85Å; M64-V71 HydrophobicContact CE-CG2 4.42Å; M64-V71 VanDerWaalsContact O-CG2 3.31Å; M64-V71 WeakPolarHBondContact O-CG2 3.42Å; M68-V71 WeakPolarHBondContact O-CB 3.5Å; V71-S75 WeakPolarHBondContact O-CB 3.28Å; V71-S75 PolarHBondContact O-N 3.42Å; V71-S75 PolarHBondContact O-OG 2.9Å |
| 72 | D | 59.3 | Low | 61.6 | Low | 123 Ų | 123 | 54.5 Ų | 54.5 | 66% | 0.658 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -71 | -31.8 | -179.9 | -75.5 | -21.8 | 0 | 0 | 0 | 113.4 | L70 S75 K101 | L70-D72 VanDerWaalsContact C-N 3.33Å; L70-D72 PolarHBondContact O-N 3.15Å; D72-S75 PolarHBondContact O-OG 3.28Å; D72-S75 VanDerWaalsContact O-OG 3.07Å; D72-K101 PolarHBondContact O-NZ 2.88Å |
| 73 | E | 59.3 | Low | 61.1 | Low | 108 Ų | 108 | 46.8 Ų | 46.8 | 51% | 0.505 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -81.6 | -43.8 | 179.8 | -67.3 | -165.8 | -173.4 | 0 | 0 | 112 | K13 L70 | K13-E73 IonicContact NZ-OE2 3.75Å; K13-E73 PolarHBondContact NZ-OE2 3.1Å; L70-E73 PolarHBondContact O-N 2.75Å |
| 74 | L | 61.9 | Low | 60.9 | Low | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.2 | -18.1 | -176.5 | -65.5 | 175.5 | 0 | 0 | 0 | 113.6 | K13 L60 I63 M64 L70 G76 M77 Q78 | K13-L74 HydrophobicContact CG-CD2 4.18Å; L60-L74 HydrophobicContact CD2-CB 4.38Å; L60-L74 HydrophobicContact CD2-CD1 4.09Å; L60-L74 HydrophobicContact CD2-CD2 3.99Å; L60-L74 HydrophobicContact CD2-CG 4.39Å; I63-L74 HydrophobicContact CG2-CD1 4.27Å; M64-L74 HydrophobicContact CG-CB 4.15Å; M64-L74 HydrophobicContact CG-CD1 4.22Å; M64-L74 HydrophobicContact SD-CB 4.04Å; L70-L74 HydrophobicContact CB-CD1 3.9Å; L70-L74 HydrophobicContact CB-CG 4.42Å; L70-L74 VanDerWaalsContact O-CB 3.28Å; L70-L74 WeakPolarHBondContact O-CB 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 3.4Å; L74-G76 PolarHBondContact O-N 2.92Å; L74-M77 PolarHBondContact O-N 3.18Å; L74-M77 VanDerWaalsContact O-N 3.07Å; L74-Q78 PolarHBondContact O-N 3.22Å |
| 75 | S | 60.7 | Low | 60.8 | Low | 30 Ų | 30 | 46.3 Ų | 46.3 | 21% | 0.21 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.4 | -31.2 | 176.5 | 38.4 | 0 | 0 | 0 | 0 | 112.9 | V71 D72 L79 | V71-S75 WeakPolarHBondContact O-CB 3.28Å; V71-S75 PolarHBondContact O-N 3.42Å; V71-S75 PolarHBondContact O-OG 2.9Å; D72-S75 PolarHBondContact O-OG 3.28Å; D72-S75 VanDerWaalsContact O-OG 3.07Å; S75-L79 WeakPolarHBondContact O-CB 3.5Å; S75-L79 WeakPolarHBondContact O-CD1 3.39Å; S75-L79 PolarHBondContact O-N 3.07Å |
| 76 | G | 64.6 | Low | 60.6 | Low | 8 Ų | 8 | 42.6 Ų | 42.6 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.4 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L74 A80 | L74-G76 PolarHBondContact O-N 2.92Å; G76-A80 PolarHBondContact O-N 3.32Å |
| 77 | M | 66.8 | Low | 60.4 | Low | 10 Ų | 10 | 44.2 Ų | 44.2 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -43.8 | 176.4 | -173.2 | -169.8 | -70.5 | 0 | 0 | 111.2 | L16 E17 L20 L60 L74 L79 A80 I81 | L16-M77 HydrophobicContact CB-CE 4.33Å; L16-M77 HydrophobicContact CB-SD 4.01Å; E17-M77 HydrophobicContact CB-CE 4.01Å; E17-M77 HydrophobicContact CG-CE 3.15Å; L20-M77 HydrophobicContact CD2-CG 3.61Å; L60-M77 HydrophobicContact CD1-CG 4.2Å; L60-M77 HydrophobicContact CD1-SD 3.83Å; L60-M77 HydrophobicContact CD2-SD 4.13Å; L74-M77 PolarHBondContact O-N 3.18Å; L74-M77 VanDerWaalsContact O-N 3.07Å; M77-L79 VanDerWaalsContact C-N 3.3Å; M77-L79 PolarHBondContact O-N 3.32Å; M77-A80 PolarHBondContact O-N 3.42Å; M77-A80 VanDerWaalsContact O-N 3.14Å; M77-I81 HydrophobicContact CG-CD1 3.88Å; M77-I81 WeakPolarHBondContact O-CG1 3.39Å; M77-I81 PolarHBondContact O-N 2.92Å; M77-I81 HydrophobicContact SD-CD1 4.36Å |
| 78 | Q | 64.4 | Low | 60.2 | Low | 9 Ų | 9 | 41.1 Ų | 41.1 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 176.5 | -169.2 | -171.8 | 8.1 | 0 | 0 | 111.4 | N57 K61 M64 L74 A80 I81 Q82 | N57-Q78 PolarHBondContact OD1-NE2 3.13Å; K61-Q78 VanDerWaalsContact CE-NE2 3.31Å; M64-Q78 HydrophobicContact SD-CB 4.39Å; M64-Q78 PolarHBondContact SD-OE1 3.46Å; L74-Q78 PolarHBondContact O-N 3.22Å; Q78-A80 VanDerWaalsContact C-N 3.33Å; Q78-A80 PolarHBondContact O-N 3.25Å; Q78-I81 PolarHBondContact O-N 2.94Å; Q78-Q82 WeakPolarHBondContact O-CB 3.35Å; Q78-Q82 PolarHBondContact O-N 2.92Å |
| 79 | L | 64.6 | Low | 60.4 | Low | 34 Ų | 34 | 34.4 Ų | 34.4 | 18% | 0.178 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 175.6 | -109 | 114.3 | 0 | 0 | 0 | 111.8 | S75 M77 A83 F98 K140 L171 | S75-L79 WeakPolarHBondContact O-CB 3.5Å; S75-L79 WeakPolarHBondContact O-CD1 3.39Å; S75-L79 PolarHBondContact O-N 3.07Å; M77-L79 VanDerWaalsContact C-N 3.3Å; M77-L79 PolarHBondContact O-N 3.32Å; L79-A83 WeakPolarHBondContact O-CB 3.44Å; L79-A83 PolarHBondContact O-N 3.32Å; L79-F98 HydrophobicContact CB-CE1 3.64Å; L79-F98 HydrophobicContact CB-CZ 3.86Å; L79-F98 HydrophobicContact CD2-CE1 4.1Å; L79-F98 HydrophobicContact CD2-CZ 3.64Å; L79-F98 HydrophobicContact CG-CZ 4.37Å; L79-K140 HydrophobicContact CD2-CB 4.14Å; L79-K140 HydrophobicContact CD2-CD 4.05Å; L79-K140 HydrophobicContact CD2-CG 4.09Å; L79-L171 HydrophobicContact CD1-CD1 4.02Å; L79-L171 HydrophobicContact CG-CD1 3.92Å |
| 80 | A | 62.1 | Low | 60.6 | Low | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | G76 M77 Q78 A83 A84 I95 F98 A99 | G76-A80 PolarHBondContact O-N 3.32Å; M77-A80 PolarHBondContact O-N 3.42Å; M77-A80 VanDerWaalsContact O-N 3.14Å; Q78-A80 VanDerWaalsContact C-N 3.33Å; Q78-A80 PolarHBondContact O-N 3.25Å; A80-A83 PolarHBondContact O-N 3.27Å; A80-A84 WeakPolarHBondContact O-CB 3.3Å; A80-A84 PolarHBondContact O-N 3.35Å; A80-I95 HydrophobicContact CB-CG2 4.28Å; A80-F98 HydrophobicContact CB-CD1 3.76Å; A80-F98 HydrophobicContact CB-CE1 4.39Å; A80-A99 HydrophobicContact CB-CB 3.47Å; A80-A99 VanDerWaalsContact CB-CB 3.47Å |
| 81 | I | 65.2 | Low | 61 | Low | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -45.5 | 175.7 | -71.4 | 165.6 | 0 | 0 | 0 | 110.6 | L20 L53 I56 N57 L60 M77 Q78 A83 A84 I85 | L20-I81 HydrophobicContact CD1-CD1 4.16Å; L20-I81 HydrophobicContact CD1-CG1 3.44Å; L20-I81 VanDerWaalsContact CD1-CG1 3.44Å; L20-I81 HydrophobicContact CD2-CD1 4.38Å; L20-I81 HydrophobicContact CD2-CG1 4.04Å; L20-I81 HydrophobicContact CG-CG1 4.33Å; L53-I81 HydrophobicContact CB-CG2 4.19Å; L53-I81 HydrophobicContact CD2-CG1 4.32Å; L53-I81 HydrophobicContact CD2-CG2 4.47Å; L53-I81 WeakPolarHBondContact O-CG2 3.48Å; I56-I81 HydrophobicContact CG2-CD1 3.7Å; N57-I81 HydrophobicContact CB-CG2 3.79Å; L60-I81 HydrophobicContact CD1-CD1 3.37Å; M77-I81 HydrophobicContact CG-CD1 3.88Å; M77-I81 WeakPolarHBondContact O-CG1 3.39Å; M77-I81 PolarHBondContact O-N 2.92Å; M77-I81 HydrophobicContact SD-CD1 4.36Å; Q78-I81 PolarHBondContact O-N 2.94Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 2.89Å; I81-A84 WeakPolarHBondContact O-CB 3.37Å; I81-A84 PolarHBondContact O-N 3.47Å; I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.41Å; I81-I85 WeakPolarHBondContact O-CD1 3.34Å; I81-I85 VanDerWaalsContact O-CG1 3.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.41Å |
| 82 | Q | 63.5 | Low | 61.4 | Low | 20 Ų | 20 | 33 Ų | 33 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.5 | -33.7 | 179.8 | -157 | 175.6 | -15.6 | 0 | 0 | 112 | Q78 I85 S86 V167 | Q78-Q82 WeakPolarHBondContact O-CB 3.35Å; Q78-Q82 PolarHBondContact O-N 2.92Å; Q82-I85 PolarHBondContact O-N 3.27Å; Q82-S86 VanDerWaalsContact O-CB 3.31Å; Q82-S86 WeakPolarHBondContact O-CB 3.33Å; Q82-S86 PolarHBondContact O-N 2.93Å; Q82-S86 PolarHBondContact O-OG 3.32Å; Q82-V167 HydrophobicContact CB-CG1 4.03Å; Q82-V167 HydrophobicContact CG-CB 4.5Å; Q82-V167 HydrophobicContact CG-CG1 3.57Å; Q82-V167 HydrophobicContact CG-CG2 4.43Å; Q82-V167 PolarHBondContact NE2-O 2.97Å |
| 83 | A | 61.3 | Low | 61.8 | Low | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.9 | -33.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L79 A80 I81 S86 A88 F89 F164 | L79-A83 WeakPolarHBondContact O-CB 3.44Å; L79-A83 PolarHBondContact O-N 3.32Å; A80-A83 PolarHBondContact O-N 3.27Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 2.89Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-OG 3.45Å; A83-A88 PolarHBondContact O-N 2.96Å; A83-A88 VanDerWaalsContact O-N 3.09Å; A83-F89 HydrophobicContact CB-CD2 3.24Å; A83-F89 HydrophobicContact CB-CE2 3.23Å; A83-F89 HydrophobicContact CB-CG 4.37Å; A83-F89 HydrophobicContact CB-CZ 4.35Å; A83-F89 PolarHBondContact O-N 3.38Å; A83-F164 HydrophobicContact CB-CE2 3.9Å |
| 84 | A | 61.5 | Low | 62.2 | Low | 5 Ų | 5 | 25.8 Ų | 25.8 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.7 | -48.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L50 L53 A80 I81 S86 Q87 I95 | L50-A84 WeakPolarHBondContact CD2-O 3.4Å; L53-A84 HydrophobicContact CD1-CB 3.92Å; A80-A84 WeakPolarHBondContact O-CB 3.3Å; A80-A84 PolarHBondContact O-N 3.35Å; I81-A84 WeakPolarHBondContact O-CB 3.37Å; I81-A84 PolarHBondContact O-N 3.47Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 2.98Å; A84-Q87 PolarHBondContact O-N 3.06Å; A84-I95 HydrophobicContact CB-CD1 3.77Å; A84-I95 HydrophobicContact CB-CG1 4.5Å; A84-I95 HydrophobicContact CB-CG2 4.13Å |
| 85 | I | 59.3 | Low | 62.6 | Low | 53 Ų | 53 | 25.8 Ų | 25.8 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.4 | -67.1 | 162.4 | 0 | 0 | 0 | 111.8 | L53 N57 I81 Q82 Q87 | L53-I85 HydrophobicContact CB-CD1 4.27Å; L53-I85 HydrophobicContact CB-CG1 3.93Å; N57-I85 HydrophobicContact CB-CD1 4.38Å; I81-I85 HydrophobicContact CG2-CD1 3.68Å; I81-I85 HydrophobicContact CG2-CG1 4.41Å; I81-I85 WeakPolarHBondContact O-CD1 3.34Å; I81-I85 VanDerWaalsContact O-CG1 3.23Å; I81-I85 WeakPolarHBondContact O-CG1 3.46Å; I81-I85 PolarHBondContact O-N 3.41Å; Q82-I85 PolarHBondContact O-N 3.27Å; I85-Q87 PolarHBondContact O-N 3.38Å |
| 86 | S | 56 | Low | 62.9 | Low | 26 Ų | 26 | 29.5 Ų | 29.5 | 18% | 0.182 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.2 | -178.2 | 55.1 | 0 | 0 | 0 | 0 | 114.6 | Q82 A83 A84 A88 V167 | Q82-S86 VanDerWaalsContact O-CB 3.31Å; Q82-S86 WeakPolarHBondContact O-CB 3.33Å; Q82-S86 PolarHBondContact O-N 2.93Å; Q82-S86 PolarHBondContact O-OG 3.32Å; A83-S86 WeakPolarHBondContact CA-OG 3.4Å; A83-S86 PolarHBondContact O-OG 3.45Å; A84-S86 VanDerWaalsContact C-N 3.32Å; A84-S86 PolarHBondContact O-N 2.98Å; S86-A88 PolarHBondContact O-N 3.37Å; S86-A88 WeakPolarHBondContact OG-CB 3.4Å; S86-V167 WeakPolarHBondContact OG-CG2 3.43Å |
| 87 | Q | 56.9 | Low | 63.2 | Low | 98 Ų | 98 | 30.6 Ų | 30.6 | 46% | 0.458 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 22.2 | -171.1 | -53.2 | -172.6 | 12.7 | 0 | 0 | 113.2 | A84 I85 F89 | A84-Q87 PolarHBondContact O-N 3.06Å; I85-Q87 PolarHBondContact O-N 3.38Å; Q87-F89 PolarHBondContact O-N 3.42Å |
| 88 | A | 51.3 | Low | 63.2 | Low | 9 Ų | 9 | 30.3 Ų | 30.3 | 7% | 0.074 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -71 | -21.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A83 S86 F164 | A83-A88 PolarHBondContact O-N 2.96Å; A83-A88 VanDerWaalsContact O-N 3.09Å; S86-A88 PolarHBondContact O-N 3.37Å; S86-A88 WeakPolarHBondContact OG-CB 3.4Å; A88-F164 HydrophobicContact CB-CB 3.96Å; A88-F164 HydrophobicContact CB-CD2 3.32Å; A88-F164 HydrophobicContact CB-CE2 4.17Å; A88-F164 HydrophobicContact CB-CG 4.08Å |
| 89 | F | 57.4 | Low | 63.3 | Low | 8 Ų | 8 | 30.8 Ų | 30.8 | 4% | 0.035 | 15% | 0.151 | C | C | . | . | trans | -116.1 | 116.4 | 164.5 | -60.9 | -50.8 | 0 | 0 | 0 | 108.5 | A83 Q87 T91 V94 I95 F98 E133 A137 F164 | A83-F89 HydrophobicContact CB-CD2 3.24Å; A83-F89 HydrophobicContact CB-CE2 3.23Å; A83-F89 HydrophobicContact CB-CG 4.37Å; A83-F89 HydrophobicContact CB-CZ 4.35Å; A83-F89 PolarHBondContact O-N 3.38Å; Q87-F89 PolarHBondContact O-N 3.42Å; F89-T91 VanDerWaalsContact C-N 3.31Å; F89-V94 HydrophobicContact CD1-CG1 3.92Å; F89-V94 HydrophobicContact CE1-CG1 4.1Å; F89-V94 HydrophobicContact CG-CG1 4.35Å; F89-I95 HydrophobicContact CB-CD1 3.9Å; F89-I95 HydrophobicContact CB-CG1 3.41Å; F89-I95 VanDerWaalsContact CB-CG1 3.41Å; F89-I95 HydrophobicContact CD2-CG1 3.89Å; F89-I95 HydrophobicContact CG-CG1 4.02Å; F89-F98 AromaticContact CE2-CD1 3.97Å; F89-F98 HydrophobicContact CE2-CD1 3.97Å; F89-F98 HydrophobicContact CE2-CE1 4.21Å; F89-F98 HydrophobicContact CE2-CG 4.48Å; F89-E133 HydrophobicContact CD1-CB 3.67Å; F89-E133 HydrophobicContact CD1-CG 3.83Å; F89-E133 HydrophobicContact CE1-CB 4.05Å; F89-E133 HydrophobicContact CE1-CG 4.5Å; F89-E133 VanDerWaalsContact CE1-O 3.24Å; F89-E133 WeakPolarHBondContact CE1-O 3.42Å; F89-A137 HydrophobicContact CE1-CB 4.27Å; F89-A137 HydrophobicContact CZ-CB 3.92Å; F89-F164 HydrophobicContact CE2-CE2 4.21Å; F89-F164 HydrophobicContact CZ-CE2 4.1Å; F89-F164 HydrophobicContact CZ-CZ 4.3Å | ||
| 90 | K | 62.7 | Low | 63.5 | Low | 115 Ų | 115 | 33.2 Ų | 33.2 | 50% | 0.5 | 16% | 0.16 | S | C | . | . | trans | -85.4 | -11.9 | 169.4 | -62.4 | -177.4 | -179.5 | -179.3 | 0 | 111.5 | E31 P92 E133 | E31-K90 VanDerWaalsContact OE1-O 3.12Å; K90-P92 WeakPolarHBondContact O-CD 3.17Å; K90-E133 WeakPolarHBondContact CB-OE1 3.3Å; K90-E133 PolarHBondContact N-OE1 3.11Å | ||
| 91 | T | 65.6 | Low | 63.7 | Low | 22 Ų | 22 | 37.7 Ų | 37.7 | 14% | 0.135 | 18% | 0.18 | C | C | . | . | trans | -101.1 | 111.5 | -179.3 | -43.3 | 0 | 0 | 0 | 0 | 110.8 | F89 E93 V94 I95 E133 | F89-T91 VanDerWaalsContact C-N 3.31Å; T91-E93 HydrophobicContact CG2-CB 4.26Å; T91-E93 PolarHBondContact O-N 2.89Å; T91-V94 HydrophobicContact CG2-CG2 4.05Å; T91-V94 PolarHBondContact O-N 3.49Å; T91-I95 PolarHBondContact O-N 3.42Å; T91-E133 VanDerWaalsContact CB-OE2 3.23Å; T91-E133 WeakPolarHBondContact CB-OE2 3.4Å; T91-E133 PolarHBondContact N-OE2 2.95Å; T91-E133 PolarHBondContact OG1-OE2 3.32Å | ||
| 92 | P | 64.9 | Low | 63.9 | Low | 10 Ų | 10 | 40.9 Ų | 40.9 | 7% | 0.065 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -35.7 | 179.9 | -25.8 | 34 | 0 | 0 | 0 | 113.4 | V24 Q28 E31 K90 V94 I95 R96 | V24-P92 HydrophobicContact CG1-CB 3.92Å; V24-P92 WeakPolarHBondContact CG1-O 3.18Å; Q28-P92 HydrophobicContact CB-CB 3.95Å; Q28-P92 HydrophobicContact CB-CG 4.03Å; E31-P92 VanDerWaalsContact OE2-CD 3.26Å; E31-P92 WeakPolarHBondContact OE2-CD 3.28Å; K90-P92 WeakPolarHBondContact O-CD 3.17Å; P92-V94 VanDerWaalsContact C-N 3.32Å; P92-V94 PolarHBondContact O-N 3.14Å; P92-I95 WeakPolarHBondContact O-CB 3.08Å; P92-I95 PolarHBondContact O-N 2.89Å; P92-R96 PolarHBondContact O-N 3.47Å |
| 93 | E | 67.2 | Low | 64.4 | Low | 75 Ų | 75 | 41.5 Ų | 41.5 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 177 | -65.1 | -169.1 | 162.6 | 0 | 0 | 112.8 | T91 R96 M97 K109 | T91-E93 HydrophobicContact CG2-CB 4.26Å; T91-E93 PolarHBondContact O-N 2.89Å; E93-R96 PolarHBondContact O-N 2.82Å; E93-M97 WeakPolarHBondContact O-CG 3.36Å; E93-M97 PolarHBondContact O-N 3.29Å; E93-K109 IonicContact OE1-NZ 3.43Å; E93-K109 WeakPolarHBondContact OE2-CE 3.45Å; E93-K109 IonicContact OE2-NZ 2.74Å; E93-K109 PolarHBondContact OE2-NZ 3.28Å |
| 94 | V | 69.1 | Low | 65.2 | Low | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.9 | -40 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | F89 T91 P92 R96 M97 F98 L106 E133 I134 A137 | F89-V94 HydrophobicContact CD1-CG1 3.92Å; F89-V94 HydrophobicContact CE1-CG1 4.1Å; F89-V94 HydrophobicContact CG-CG1 4.35Å; T91-V94 HydrophobicContact CG2-CG2 4.05Å; T91-V94 PolarHBondContact O-N 3.49Å; P92-V94 VanDerWaalsContact C-N 3.32Å; P92-V94 PolarHBondContact O-N 3.14Å; V94-R96 VanDerWaalsContact C-N 3.31Å; V94-R96 PolarHBondContact O-N 2.9Å; V94-M97 PolarHBondContact O-N 3.08Å; V94-F98 WeakPolarHBondContact O-CB 3.32Å; V94-F98 PolarHBondContact O-N 3.34Å; V94-L106 HydrophobicContact CG1-CD2 4.1Å; V94-E133 HydrophobicContact CG1-CB 4.3Å; V94-I134 HydrophobicContact CG1-CG1 4.34Å; V94-I134 HydrophobicContact CG2-CD1 4.44Å; V94-I134 HydrophobicContact CG2-CG1 3.75Å; V94-A137 HydrophobicContact CG1-CB 4.19Å |
| 95 | I | 69.3 | Low | 65.8 | Low | 6 Ų | 6 | 55.4 Ų | 55.4 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 173.5 | -61.3 | 168.5 | 0 | 0 | 0 | 110 | V24 A80 A84 F89 T91 P92 F98 A99 | V24-I95 HydrophobicContact CG2-CG2 3.97Å; A80-I95 HydrophobicContact CB-CG2 4.28Å; A84-I95 HydrophobicContact CB-CD1 3.77Å; A84-I95 HydrophobicContact CB-CG1 4.5Å; A84-I95 HydrophobicContact CB-CG2 4.13Å; F89-I95 HydrophobicContact CB-CD1 3.9Å; F89-I95 HydrophobicContact CB-CG1 3.41Å; F89-I95 VanDerWaalsContact CB-CG1 3.41Å; F89-I95 HydrophobicContact CD2-CG1 3.89Å; F89-I95 HydrophobicContact CG-CG1 4.02Å; T91-I95 PolarHBondContact O-N 3.42Å; P92-I95 WeakPolarHBondContact O-CB 3.08Å; P92-I95 PolarHBondContact O-N 2.89Å; I95-F98 PolarHBondContact O-N 3.04Å; I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.1Å |
| 96 | R | 67.4 | Low | 66.6 | Low | 108 Ų | 108 | 52.9 Ų | 52.9 | 41% | 0.408 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.3 | -48 | -178.9 | -166.9 | 179.8 | -174.5 | -156.2 | 2.9 | 112.5 | D21 V24 P92 E93 V94 F98 A99 K100 | D21-R96 WeakPolarHBondContact OD1-CG 3.49Å; D21-R96 IonicContact OD1-NE 2.73Å; D21-R96 PolarHBondContact OD1-NE 3.48Å; D21-R96 VanDerWaalsContact OD1-NE 3.13Å; D21-R96 IonicContact OD2-CZ 3.73Å; D21-R96 IonicContact OD2-NE 2.83Å; D21-R96 PolarHBondContact OD2-NE 3.23Å; D21-R96 IonicContact OD2-NH2 3.14Å; D21-R96 PolarHBondContact OD2-NH2 3.43Å; D21-R96 VanDerWaalsContact OD2-NH2 3.1Å; V24-R96 HydrophobicContact CG1-CB 4.3Å; P92-R96 PolarHBondContact O-N 3.47Å; E93-R96 PolarHBondContact O-N 2.82Å; V94-R96 VanDerWaalsContact C-N 3.31Å; V94-R96 PolarHBondContact O-N 2.9Å; R96-F98 PolarHBondContact O-N 2.99Å; R96-A99 PolarHBondContact O-N 3.49Å; R96-K100 HydrophobicContact CG-CD 4.47Å; R96-K100 WeakPolarHBondContact O-CG 3.16Å; R96-K100 PolarHBondContact O-N 2.82Å |
| 97 | M | 70.7 | Confident | 67.7 | Low | 31 Ų | 31 | 57.6 Ų | 57.6 | 15% | 0.153 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -32.6 | 178.5 | -68.7 | -177.2 | -169.3 | 0 | 0 | 111.9 | E93 V94 K101 Q102 Q105 L106 | E93-M97 WeakPolarHBondContact O-CG 3.36Å; E93-M97 PolarHBondContact O-N 3.29Å; V94-M97 PolarHBondContact O-N 3.08Å; M97-K101 PolarHBondContact O-N 2.67Å; M97-Q102 PolarHBondContact O-N 3.21Å; M97-Q105 HydrophobicContact CE-CB 4.41Å; M97-Q105 HydrophobicContact CG-CB 4.29Å; M97-Q105 HydrophobicContact SD-CB 3.81Å; M97-L106 HydrophobicContact CB-CD2 3.79Å; M97-L106 HydrophobicContact CB-CG 3.87Å; M97-L106 HydrophobicContact SD-CD2 4.1Å; M97-L106 HydrophobicContact SD-CG 4.38Å |
| 98 | F | 67.4 | Low | 68.8 | Low | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.1 | -45.3 | 175.3 | -176.8 | -119.2 | 0 | 0 | 0 | 112.4 | L79 A80 F89 V94 I95 R96 K100 K101 A137 K140 L141 | L79-F98 HydrophobicContact CB-CE1 3.64Å; L79-F98 HydrophobicContact CB-CZ 3.86Å; L79-F98 HydrophobicContact CD2-CE1 4.1Å; L79-F98 HydrophobicContact CD2-CZ 3.64Å; L79-F98 HydrophobicContact CG-CZ 4.37Å; A80-F98 HydrophobicContact CB-CD1 3.76Å; A80-F98 HydrophobicContact CB-CE1 4.39Å; F89-F98 AromaticContact CE2-CD1 3.97Å; F89-F98 HydrophobicContact CE2-CD1 3.97Å; F89-F98 HydrophobicContact CE2-CE1 4.21Å; F89-F98 HydrophobicContact CE2-CG 4.48Å; V94-F98 WeakPolarHBondContact O-CB 3.32Å; V94-F98 PolarHBondContact O-N 3.34Å; I95-F98 PolarHBondContact O-N 3.04Å; R96-F98 PolarHBondContact O-N 2.99Å; F98-K100 VanDerWaalsContact C-N 3.25Å; F98-K100 PolarHBondContact O-N 3.29Å; F98-K101 PolarHBondContact O-N 3.38Å; F98-A137 HydrophobicContact CB-CB 4.28Å; F98-A137 HydrophobicContact CD2-CB 3.72Å; F98-A137 HydrophobicContact CE2-CB 4.32Å; F98-A137 WeakPolarHBondContact CE2-O 3.36Å; F98-A137 HydrophobicContact CG-CB 4.16Å; F98-K140 HydrophobicContact CE2-CB 3.7Å; F98-K140 HydrophobicContact CZ-CB 3.75Å; F98-L141 HydrophobicContact CD2-CD1 3.9Å; F98-L141 HydrophobicContact CD2-CD2 4.21Å; F98-L141 HydrophobicContact CD2-CG 3.77Å; F98-L141 HydrophobicContact CE2-CD1 4.44Å; F98-L141 HydrophobicContact CE2-CD2 4.28Å; F98-L141 HydrophobicContact CE2-CG 3.84Å |
| 99 | A | 66.8 | Low | 70.1 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.7 | -40.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L20 A80 I95 R96 K101 | L20-A99 HydrophobicContact CD2-CB 3.63Å; A80-A99 HydrophobicContact CB-CB 3.47Å; A80-A99 VanDerWaalsContact CB-CB 3.47Å; I95-A99 WeakPolarHBondContact O-CB 3.41Å; I95-A99 PolarHBondContact O-N 3.1Å; R96-A99 PolarHBondContact O-N 3.49Å; A99-K101 PolarHBondContact O-N 2.97Å |
| 100 | K | 67.9 | Low | 71 | Confident | 84 Ų | 84 | 59.7 Ų | 59.7 | 37% | 0.365 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.6 | 179.1 | -65.9 | -174.8 | -180 | -172.3 | 0 | 113.8 | D21 R96 F98 Q102 | D21-K100 VanDerWaalsContact OD1-CE 3.27Å; D21-K100 WeakPolarHBondContact OD1-CE 3.42Å; D21-K100 IonicContact OD1-NZ 3.99Å; D21-K100 PolarHBondContact OD1-NZ 3.32Å; D21-K100 WeakPolarHBondContact OD2-CE 3.42Å; D21-K100 IonicContact OD2-NZ 2.81Å; D21-K100 PolarHBondContact OD2-NZ 2.94Å; R96-K100 HydrophobicContact CG-CD 4.47Å; R96-K100 WeakPolarHBondContact O-CG 3.16Å; R96-K100 PolarHBondContact O-N 2.82Å; F98-K100 VanDerWaalsContact C-N 3.25Å; F98-K100 PolarHBondContact O-N 3.29Å; K100-Q102 VanDerWaalsContact C-N 3.32Å; K100-Q102 HydrophobicContact CB-CG 3.91Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 2.97Å |
| 101 | K | 65.9 | Low | 71.9 | Confident | 95 Ų | 95 | 56.3 Ų | 56.3 | 41% | 0.413 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 49.6 | -174.5 | -59.5 | -174.7 | -179.7 | -177 | 0 | 112.3 | D72 M97 F98 A99 P103 L141 | D72-K101 PolarHBondContact O-NZ 2.88Å; M97-K101 PolarHBondContact O-N 2.67Å; F98-K101 PolarHBondContact O-N 3.38Å; A99-K101 PolarHBondContact O-N 2.97Å; K101-P103 WeakPolarHBondContact O-CD 3.47Å; K101-L141 HydrophobicContact CB-CD2 3.83Å; K101-L141 HydrophobicContact CG-CD2 3.81Å |
| 102 | Q | 70.6 | Confident | 72.6 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | trans | -106.8 | 72.8 | -177.3 | -70.6 | 176.5 | -15.8 | 0 | 0 | 112.1 | M97 K100 R104 Q105 L106 | M97-Q102 PolarHBondContact O-N 3.21Å; K100-Q102 VanDerWaalsContact C-N 3.32Å; K100-Q102 HydrophobicContact CB-CG 3.91Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 2.97Å; Q102-R104 VanDerWaalsContact C-N 3.25Å; Q102-R104 PolarHBondContact O-N 3.29Å; Q102-Q105 HydrophobicContact CB-CB 4.19Å; Q102-Q105 HydrophobicContact CB-CG 4.17Å; Q102-Q105 PolarHBondContact O-N 2.91Å; Q102-Q105 VanDerWaalsContact O-N 3.11Å; Q102-L106 PolarHBondContact O-N 3.34Å | ||
| 103 | P | 73 | Confident | 73.1 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -29 | -176.4 | 27.8 | -36.1 | 0 | 0 | 0 | 113 | K101 Q105 L106 R107 L138 L141 E143 | K101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-Q105 VanDerWaalsContact C-N 3.33Å; P103-Q105 PolarHBondContact O-N 2.96Å; P103-L106 PolarHBondContact O-N 3.43Å; P103-R107 PolarHBondContact O-N 2.46Å; P103-L138 HydrophobicContact CB-CD2 3.83Å; P103-L141 HydrophobicContact CB-CD1 4.23Å; P103-E143 HydrophobicContact CB-CG 3.91Å; P103-E143 WeakPolarHBondContact CB-OE1 3.4Å; P103-E143 HydrophobicContact CG-CG 4.45Å |
| 104 | R | 78.4 | Confident | 73.6 | Confident | 209 Ų | 209 | 57.9 Ų | 57.9 | 79% | 0.789 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -62.1 | -39.8 | 174.4 | -70.6 | -176.6 | 179.5 | 169.4 | 0.3 | 112.4 | Q102 R107 T108 | Q102-R104 VanDerWaalsContact C-N 3.25Å; Q102-R104 PolarHBondContact O-N 3.29Å; R104-R107 PolarHBondContact O-N 2.92Å; R104-T108 PolarHBondContact O-N 2.66Å; R104-T108 PolarHBondContact O-OG1 3.4Å; R104-T108 VanDerWaalsContact O-OG1 3.1Å |
| 105 | Q | 74.9 | Confident | 74 | Confident | 88 Ų | 88 | 64.7 Ų | 64.7 | 41% | 0.411 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72 | -39 | 179.1 | -67.3 | -172.1 | 14.9 | 0 | 0 | 111.1 | M97 Q102 P103 R107 T108 K109 | M97-Q105 HydrophobicContact CE-CB 4.41Å; M97-Q105 HydrophobicContact CG-CB 4.29Å; M97-Q105 HydrophobicContact SD-CB 3.81Å; Q102-Q105 HydrophobicContact CB-CB 4.19Å; Q102-Q105 HydrophobicContact CB-CG 4.17Å; Q102-Q105 PolarHBondContact O-N 2.91Å; Q102-Q105 VanDerWaalsContact O-N 3.11Å; P103-Q105 VanDerWaalsContact C-N 3.33Å; P103-Q105 PolarHBondContact O-N 2.96Å; Q105-R107 VanDerWaalsContact C-N 3.3Å; Q105-R107 PolarHBondContact O-N 3.06Å; Q105-T108 PolarHBondContact O-N 2.96Å; Q105-K109 PolarHBondContact O-N 2.84Å |
| 106 | L | 76.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -42.4 | 172 | -75.2 | 170.8 | 0 | 0 | 0 | 111.8 | V94 M97 Q102 P103 K109 L110 I134 A137 L138 L141 | V94-L106 HydrophobicContact CG1-CD2 4.1Å; M97-L106 HydrophobicContact CB-CD2 3.79Å; M97-L106 HydrophobicContact CB-CG 3.87Å; M97-L106 HydrophobicContact SD-CD2 4.1Å; M97-L106 HydrophobicContact SD-CG 4.38Å; Q102-L106 PolarHBondContact O-N 3.34Å; P103-L106 PolarHBondContact O-N 3.43Å; L106-K109 PolarHBondContact O-N 2.86Å; L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 PolarHBondContact O-N 3.41Å; L106-I134 HydrophobicContact CB-CG2 4.08Å; L106-I134 HydrophobicContact CD2-CG1 4.31Å; L106-I134 HydrophobicContact CD2-CG2 4.2Å; L106-A137 HydrophobicContact CD1-CB 3.93Å; L106-L138 HydrophobicContact CB-CD2 3.77Å; L106-L138 HydrophobicContact CB-CG 4.13Å; L106-L138 HydrophobicContact CD1-CD2 4.03Å; L106-L138 HydrophobicContact CD1-CG 4.32Å; L106-L141 HydrophobicContact CD1-CD1 3.62Å |
| 107 | R | 77.2 | Confident | 74.5 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 48% | 0.475 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 174.2 | -74.4 | -173.5 | -179.9 | -149.2 | -7.2 | 113.3 | P103 R104 Q105 K109 L110 A111 L138 E143 K144 | P103-R107 PolarHBondContact O-N 2.46Å; R104-R107 PolarHBondContact O-N 2.92Å; Q105-R107 VanDerWaalsContact C-N 3.3Å; Q105-R107 PolarHBondContact O-N 3.06Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 3.23Å; R107-L110 PolarHBondContact O-N 3.42Å; R107-A111 PolarHBondContact O-N 3.42Å; R107-L138 HydrophobicContact CG-CD1 4.31Å; R107-L138 HydrophobicContact CG-CD2 4.47Å; R107-E143 IonicContact CZ-OE2 3.13Å; R107-E143 IonicContact NE-OE1 3.48Å; R107-E143 IonicContact NE-OE2 3.88Å; R107-E143 PolarHBondContact NE-OE2 3.43Å; R107-E143 IonicContact NH2-OE1 3.1Å; R107-E143 IonicContact NH2-OE2 2.67Å; R107-E143 PolarHBondContact NH2-OE2 2.75Å; R107-K144 PolarHBondContact NH2-O 3.46Å |
| 108 | T | 81.7 | Confident | 74.4 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176 | -58 | 0 | 0 | 0 | 0 | 110.9 | R104 Q105 A111 E112 | R104-T108 PolarHBondContact O-N 2.66Å; R104-T108 PolarHBondContact O-OG1 3.4Å; R104-T108 VanDerWaalsContact O-OG1 3.1Å; Q105-T108 PolarHBondContact O-N 2.96Å; T108-A111 PolarHBondContact O-N 3.2Å; T108-E112 PolarHBondContact O-N 3.5Å |
| 109 | K | 77 | Confident | 74.8 | Confident | 54 Ų | 54 | 76.2 Ų | 76.2 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.1 | -168.3 | 73 | -175.7 | -165.1 | 0 | 112 | E93 Q105 L106 R107 A111 E112 M113 I134 | E93-K109 IonicContact OE1-NZ 3.43Å; E93-K109 WeakPolarHBondContact OE2-CE 3.45Å; E93-K109 IonicContact OE2-NZ 2.74Å; E93-K109 PolarHBondContact OE2-NZ 3.28Å; Q105-K109 PolarHBondContact O-N 2.84Å; L106-K109 PolarHBondContact O-N 2.86Å; R107-K109 VanDerWaalsContact C-N 3.31Å; R107-K109 PolarHBondContact O-N 3.23Å; K109-A111 VanDerWaalsContact C-N 3.31Å; K109-A111 PolarHBondContact O-N 3.25Å; K109-E112 WeakPolarHBondContact O-CB 3.24Å; K109-E112 PolarHBondContact O-N 3.28Å; K109-M113 WeakPolarHBondContact O-CG 3.49Å; K109-M113 PolarHBondContact O-N 2.85Å; K109-I134 HydrophobicContact CB-CD1 4.32Å; K109-I134 HydrophobicContact CG-CD1 4.05Å |
| 110 | L | 77.8 | Confident | 74.9 | Confident | 24 Ų | 24 | 78.3 Ų | 78.3 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.7 | -45 | 173.4 | -167.7 | 120.7 | 0 | 0 | 0 | 111.3 | L106 R107 E112 M113 D114 K131 I134 L135 | L106-L110 WeakPolarHBondContact O-CB 3.47Å; L106-L110 PolarHBondContact O-N 3.41Å; R107-L110 PolarHBondContact O-N 3.42Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 2.89Å; L110-M113 PolarHBondContact O-N 3.41Å; L110-D114 VanDerWaalsContact O-CG 3.3Å; L110-D114 PolarHBondContact O-N 2.93Å; L110-K131 HydrophobicContact CD1-CG 4.26Å; L110-I134 HydrophobicContact CB-CG2 4.17Å; L110-I134 HydrophobicContact CD1-CB 4.22Å; L110-I134 HydrophobicContact CD1-CG2 3.75Å; L110-L135 HydrophobicContact CD1-CD2 3.63Å; L110-L135 HydrophobicContact CD1-CG 3.98Å |
| 111 | A | 79.9 | Confident | 74.8 | Confident | 44 Ų | 44 | 82.2 Ų | 82.2 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -69.3 | -28 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | R107 T108 K109 R115 | R107-A111 PolarHBondContact O-N 3.42Å; T108-A111 PolarHBondContact O-N 3.2Å; K109-A111 VanDerWaalsContact C-N 3.31Å; K109-A111 PolarHBondContact O-N 3.25Å; A111-R115 WeakPolarHBondContact O-CG 3.41Å; A111-R115 PolarHBondContact O-N 3.47Å; A111-R115 PolarHBondContact O-NE 3.43Å |
| 112 | E | 80.2 | Confident | 74.8 | Confident | 77 Ų | 77 | 79.6 Ų | 79.6 | 36% | 0.36 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.6 | -47.4 | 170.1 | -79 | 174 | 176.7 | 0 | 0 | 111.3 | T108 K109 L110 D114 R115 D116 | T108-E112 PolarHBondContact O-N 3.5Å; K109-E112 WeakPolarHBondContact O-CB 3.24Å; K109-E112 PolarHBondContact O-N 3.28Å; L110-E112 VanDerWaalsContact C-N 3.34Å; L110-E112 PolarHBondContact O-N 2.89Å; E112-D114 PolarHBondContact O-N 3.06Å; E112-R115 VanDerWaalsContact CG-NH2 3.25Å; E112-R115 WeakPolarHBondContact O-CA 3.5Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 2.91Å; E112-R115 VanDerWaalsContact O-N 3.11Å; E112-D116 PolarHBondContact O-N 3.32Å |
| 113 | M | 76.2 | Confident | 74.9 | Confident | 7 Ų | 7 | 78.5 Ų | 78.5 | 3% | 0.034 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177 | -71.2 | 176.4 | 48.9 | 0 | 0 | 113.3 | K109 L110 R115 D116 L117 L122 Y127 Q130 K131 I134 | K109-M113 WeakPolarHBondContact O-CG 3.49Å; K109-M113 PolarHBondContact O-N 2.85Å; L110-M113 PolarHBondContact O-N 3.41Å; M113-R115 PolarHBondContact O-N 3.37Å; M113-D116 PolarHBondContact O-N 3.1Å; M113-L117 PolarHBondContact O-N 3.18Å; M113-L122 HydrophobicContact CB-CD2 4.47Å; M113-L122 HydrophobicContact CE-CD2 4.32Å; M113-Y127 HydrophobicContact CB-CD2 4.2Å; M113-Y127 HydrophobicContact CB-CE2 4.31Å; M113-Y127 HydrophobicContact CE-CD2 3.88Å; M113-Y127 HydrophobicContact CE-CE2 4.43Å; M113-Y127 HydrophobicContact CE-CG 4.49Å; M113-Q130 HydrophobicContact CE-CB 3.2Å; M113-Q130 HydrophobicContact CE-CG 4.33Å; M113-Q130 HydrophobicContact SD-CB 3.65Å; M113-K131 HydrophobicContact CE-CB 4.42Å; M113-I134 HydrophobicContact SD-CD1 3.58Å; M113-I134 VanDerWaalsContact SD-CD1 3.58Å |
| 114 | D | 77.5 | Confident | 74.7 | Confident | 56 Ų | 56 | 86.4 Ų | 86.4 | 30% | 0.299 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -58.2 | -39.4 | 174.1 | -75.6 | -21.2 | 0 | 0 | 0 | 110.9 | L110 E112 M118 Y127 | L110-D114 VanDerWaalsContact O-CG 3.3Å; L110-D114 PolarHBondContact O-N 2.93Å; E112-D114 PolarHBondContact O-N 3.06Å; D114-M118 WeakPolarHBondContact O-CB 3.31Å; D114-M118 PolarHBondContact O-N 3.33Å; D114-Y127 WeakPolarHBondContact OD1-CE2 3.23Å; D114-Y127 PolarHBondContact OD1-OH 3.42Å |
| 115 | R | 78.1 | Confident | 74.2 | Confident | 148 Ų | 148 | 82.8 Ų | 82.8 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -68.6 | -42.9 | 174 | -75.8 | -175.3 | -71.5 | 163.8 | -1.5 | 112 | A111 E112 M113 L117 M118 V119 | A111-R115 WeakPolarHBondContact O-CG 3.41Å; A111-R115 PolarHBondContact O-N 3.47Å; A111-R115 PolarHBondContact O-NE 3.43Å; E112-R115 VanDerWaalsContact CG-NH2 3.25Å; E112-R115 WeakPolarHBondContact O-CA 3.5Å; E112-R115 WeakPolarHBondContact O-CB 3.4Å; E112-R115 PolarHBondContact O-N 2.91Å; E112-R115 VanDerWaalsContact O-N 3.11Å; M113-R115 PolarHBondContact O-N 3.37Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 PolarHBondContact O-N 3.11Å; R115-M118 CarbonylContact O-C 3.6Å; R115-M118 WeakPolarHBondContact O-CB 3.41Å; R115-M118 PolarHBondContact O-N 2.85Å; R115-M118 VanDerWaalsContact O-N 3.1Å; R115-V119 WeakPolarHBondContact O-CB 3.23Å; R115-V119 VanDerWaalsContact O-CG2 3.24Å; R115-V119 WeakPolarHBondContact O-CG2 3.48Å; R115-V119 PolarHBondContact O-N 2.98Å |
| 116 | D | 73.9 | Confident | 74 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 35% | 0.353 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.9 | -32.1 | -179.6 | -72.5 | -28.8 | 0 | 0 | 0 | 112.8 | E112 M113 G120 K121 L122 | E112-D116 PolarHBondContact O-N 3.32Å; M113-D116 PolarHBondContact O-N 3.1Å; D116-G120 PolarHBondContact O-N 3.07Å; D116-G120 VanDerWaalsContact O-N 3.14Å; D116-K121 PolarHBondContact O-N 2.69Å; D116-L122 HydrophobicContact CB-CB 4.15Å; D116-L122 PolarHBondContact O-N 3.44Å |
| 117 | L | 74 | Confident | 74 | Confident | 52 Ų | 52 | 84.1 Ų | 84.1 | 27% | 0.272 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 168.5 | -178.6 | 133.5 | 0 | 0 | 0 | 111.5 | M113 R115 V119 G120 R124 Y127 | M113-L117 PolarHBondContact O-N 3.18Å; R115-L117 VanDerWaalsContact C-N 3.3Å; R115-L117 PolarHBondContact O-N 3.11Å; L117-V119 VanDerWaalsContact C-N 3.28Å; L117-V119 PolarHBondContact O-N 3.36Å; L117-G120 PolarHBondContact O-N 3.19Å; L117-G120 VanDerWaalsContact O-N 3.08Å; L117-R124 HydrophobicContact CD1-CG 4.04Å; L117-Y127 HydrophobicContact CB-CD2 3.9Å; L117-Y127 HydrophobicContact CB-CE2 4.18Å; L117-Y127 HydrophobicContact CB-CG 4.31Å; L117-Y127 HydrophobicContact CD1-CD1 3.43Å; L117-Y127 VanDerWaalsContact CD1-CD1 3.43Å; L117-Y127 HydrophobicContact CD1-CD2 3.76Å; L117-Y127 HydrophobicContact CD1-CE1 3.93Å; L117-Y127 HydrophobicContact CD1-CE2 4.23Å; L117-Y127 HydrophobicContact CD1-CG 3.31Å; L117-Y127 HydrophobicContact CG-CD2 4.43Å; L117-Y127 HydrophobicContact CG-CG 4.41Å |
| 118 | M | 67.9 | Low | 73.8 | Confident | 173 Ų | 173 | 79.8 Ų | 79.8 | 85% | 0.852 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.2 | -33.9 | 177.9 | -163 | 110.9 | 172.7 | 0 | 0 | 112.4 | D114 R115 G120 | D114-M118 WeakPolarHBondContact O-CB 3.31Å; D114-M118 PolarHBondContact O-N 3.33Å; R115-M118 CarbonylContact O-C 3.6Å; R115-M118 WeakPolarHBondContact O-CB 3.41Å; R115-M118 PolarHBondContact O-N 2.85Å; R115-M118 VanDerWaalsContact O-N 3.1Å; M118-G120 VanDerWaalsContact C-N 3.28Å |
| 119 | V | 76.1 | Confident | 73.3 | Confident | 100 Ų | 100 | 80.8 Ų | 80.8 | 61% | 0.606 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.8 | 176.8 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | R115 L117 K121 | R115-V119 WeakPolarHBondContact O-CB 3.23Å; R115-V119 VanDerWaalsContact O-CG2 3.24Å; R115-V119 WeakPolarHBondContact O-CG2 3.48Å; R115-V119 PolarHBondContact O-N 2.98Å; L117-V119 VanDerWaalsContact C-N 3.28Å; L117-V119 PolarHBondContact O-N 3.36Å; V119-K121 VanDerWaalsContact C-N 3.29Å; V119-K121 HydrophobicContact CG1-CD 4.29Å; V119-K121 HydrophobicContact CG1-CG 4.16Å; V119-K121 PolarHBondContact O-N 3.22Å |
| 120 | G | 68.3 | Low | 73.1 | Confident | 63 Ų | 63 | 80.1 Ų | 80.1 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 15 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D116 L117 M118 | D116-G120 PolarHBondContact O-N 3.07Å; D116-G120 VanDerWaalsContact O-N 3.14Å; L117-G120 PolarHBondContact O-N 3.19Å; L117-G120 VanDerWaalsContact O-N 3.08Å; M118-G120 VanDerWaalsContact C-N 3.28Å |
| 121 | K | 66.1 | Low | 73.1 | Confident | 166 Ų | 166 | 80.2 Ų | 80.2 | 72% | 0.722 | 42% | 0.417 | S | S | * | . | trans | -79.2 | -25.4 | 176.6 | -75.6 | -178.3 | 176.7 | -176.9 | 0 | 112.7 | D116 V119 | D116-K121 PolarHBondContact O-N 2.69Å; V119-K121 VanDerWaalsContact C-N 3.29Å; V119-K121 HydrophobicContact CG1-CD 4.29Å; V119-K121 HydrophobicContact CG1-CG 4.16Å; V119-K121 PolarHBondContact O-N 3.22Å | ||
| 122 | L | 65.7 | Low | 72.9 | Confident | 39 Ų | 39 | 78.7 Ų | 78.7 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -111 | 129.3 | -176.1 | -161.6 | 71.7 | 0 | 0 | 0 | 110.8 | M113 D116 L126 Y127 | M113-L122 HydrophobicContact CB-CD2 4.47Å; M113-L122 HydrophobicContact CE-CD2 4.32Å; D116-L122 HydrophobicContact CB-CB 4.15Å; D116-L122 PolarHBondContact O-N 3.44Å; L122-L126 HydrophobicContact CD1-CB 4.35Å; L122-L126 HydrophobicContact CG-CB 4.46Å; L122-Y127 HydrophobicContact CD2-CD2 4.15Å; L122-Y127 HydrophobicContact CD2-CG 4.49Å |
| 123 | G | 71.9 | Confident | 72.6 | Confident | 45 Ų | 45 | 75.7 Ų | 75.7 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | trans | -64.3 | 140.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D125 L126 Y127 | G123-D125 PolarHBondContact O-N 3.47Å; G123-D125 VanDerWaalsContact O-N 3.14Å; G123-L126 PolarHBondContact O-N 3.09Å; G123-Y127 PolarHBondContact O-N 3.44Å | ||
| 124 | R | 69.3 | Low | 72.6 | Confident | 198 Ų | 198 | 75.4 Ų | 75.4 | 75% | 0.747 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -54.3 | -33.5 | 179.6 | -89.1 | -179.5 | 175.3 | 178.8 | -1.2 | 113.1 | L117 T128 | L117-R124 HydrophobicContact CD1-CG 4.04Å; R124-T128 WeakPolarHBondContact O-CB 3.42Å; R124-T128 PolarHBondContact O-N 2.97Å; R124-T128 PolarHBondContact O-OG1 3.41Å |
| 125 | D | 67.9 | Low | 72.4 | Confident | 133 Ų | 133 | 72.8 Ų | 72.8 | 71% | 0.711 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -70.5 | -45.3 | -179.5 | -60.1 | -35.9 | 0 | 0 | 0 | 112.1 | G123 T128 Q129 | G123-D125 PolarHBondContact O-N 3.47Å; G123-D125 VanDerWaalsContact O-N 3.14Å; D125-T128 PolarHBondContact O-N 3.47Å; D125-Q129 WeakPolarHBondContact O-CG 3.26Å; D125-Q129 PolarHBondContact O-N 3.13Å |
| 126 | L | 70.4 | Confident | 72.1 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 49% | 0.492 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 175.5 | -108.9 | 128.9 | 0 | 0 | 0 | 111.5 | L122 G123 T128 Q129 Q130 | L122-L126 HydrophobicContact CD1-CB 4.35Å; L122-L126 HydrophobicContact CG-CB 4.46Å; G123-L126 PolarHBondContact O-N 3.09Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.89Å; L126-Q129 PolarHBondContact O-N 3.23Å; L126-Q130 WeakPolarHBondContact O-CB 3.49Å; L126-Q130 PolarHBondContact O-N 2.9Å |
| 127 | Y | 75.9 | Confident | 71.9 | Confident | 22 Ų | 22 | 63 Ų | 63 | 9% | 0.086 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.7 | -45.9 | 174.1 | 172.1 | -95.9 | 0 | 0 | 0 | 111.8 | M113 D114 L117 L122 G123 Q129 K131 F152 | M113-Y127 HydrophobicContact CB-CD2 4.2Å; M113-Y127 HydrophobicContact CB-CE2 4.31Å; M113-Y127 HydrophobicContact CE-CD2 3.88Å; M113-Y127 HydrophobicContact CE-CE2 4.43Å; M113-Y127 HydrophobicContact CE-CG 4.49Å; D114-Y127 WeakPolarHBondContact OD1-CE2 3.23Å; D114-Y127 PolarHBondContact OD1-OH 3.42Å; L117-Y127 HydrophobicContact CB-CD2 3.9Å; L117-Y127 HydrophobicContact CB-CE2 4.18Å; L117-Y127 HydrophobicContact CB-CG 4.31Å; L117-Y127 HydrophobicContact CD1-CD1 3.43Å; L117-Y127 VanDerWaalsContact CD1-CD1 3.43Å; L117-Y127 HydrophobicContact CD1-CD2 3.76Å; L117-Y127 HydrophobicContact CD1-CE1 3.93Å; L117-Y127 HydrophobicContact CD1-CE2 4.23Å; L117-Y127 HydrophobicContact CD1-CG 3.31Å; L117-Y127 HydrophobicContact CG-CD2 4.43Å; L117-Y127 HydrophobicContact CG-CG 4.41Å; L122-Y127 HydrophobicContact CD2-CD2 4.15Å; L122-Y127 HydrophobicContact CD2-CG 4.49Å; G123-Y127 PolarHBondContact O-N 3.44Å; Y127-Q129 PolarHBondContact O-N 3.36Å; Y127-K131 HydrophobicContact CE1-CD 3.67Å; Y127-K131 HydrophobicContact CE2-CD 4.31Å; Y127-K131 WeakPolarHBondContact O-CB 3.46Å; Y127-K131 PolarHBondContact O-N 3.02Å; Y127-K131 VanDerWaalsContact OH-CD 3.28Å; Y127-K131 WeakPolarHBondContact OH-CD 3.41Å; Y127-K131 PolarHBondContact OH-NZ 2.8Å; Y127-F152 HydrophobicContact CE1-CZ 4.33Å |
| 128 | T | 73.9 | Confident | 71.8 | Confident | 34 Ų | 34 | 61 Ų | 61 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | -178.4 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | R124 D125 L126 V132 F152 N156 | R124-T128 WeakPolarHBondContact O-CB 3.42Å; R124-T128 PolarHBondContact O-N 2.97Å; R124-T128 PolarHBondContact O-OG1 3.41Å; D125-T128 PolarHBondContact O-N 3.47Å; L126-T128 VanDerWaalsContact C-N 3.32Å; L126-T128 PolarHBondContact O-N 2.89Å; T128-V132 VanDerWaalsContact O-CG2 3.25Å; T128-V132 WeakPolarHBondContact O-CG2 3.47Å; T128-V132 PolarHBondContact O-N 3Å; T128-F152 HydrophobicContact CG2-CE1 4.21Å; T128-F152 HydrophobicContact CG2-CZ 4.02Å; T128-N156 HydrophobicContact CG2-CB 4.23Å; T128-N156 WeakPolarHBondContact CG2-OD1 3.35Å |
| 129 | Q | 71.8 | Confident | 72 | Confident | 101 Ų | 101 | 60 Ų | 60 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -55.9 | 175.9 | -72.5 | 179.7 | 2 | 0 | 0 | 111.7 | D125 L126 Y127 K131 V132 E133 | D125-Q129 WeakPolarHBondContact O-CG 3.26Å; D125-Q129 PolarHBondContact O-N 3.13Å; L126-Q129 PolarHBondContact O-N 3.23Å; Y127-Q129 PolarHBondContact O-N 3.36Å; Q129-K131 VanDerWaalsContact C-N 3.3Å; Q129-K131 PolarHBondContact O-N 3.44Å; Q129-V132 PolarHBondContact O-N 3.37Å; Q129-E133 WeakPolarHBondContact O-CG 3.4Å; Q129-E133 PolarHBondContact O-N 2.88Å; Q129-E133 VanDerWaalsContact O-N 3.07Å |
| 130 | Q | 71.8 | Confident | 71.5 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 19% | 0.192 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.7 | -33.1 | -178.1 | -73.5 | -179.7 | -24.3 | 0 | 0 | 112.7 | M113 L126 E133 I134 | M113-Q130 HydrophobicContact CE-CB 3.2Å; M113-Q130 HydrophobicContact CE-CG 4.33Å; M113-Q130 HydrophobicContact SD-CB 3.65Å; L126-Q130 WeakPolarHBondContact O-CB 3.49Å; L126-Q130 PolarHBondContact O-N 2.9Å; Q130-E133 WeakPolarHBondContact O-CB 3.12Å; Q130-E133 PolarHBondContact O-N 3.42Å; Q130-I134 WeakPolarHBondContact O-CG1 3.49Å; Q130-I134 PolarHBondContact O-N 2.99Å |
| 131 | K | 77.8 | Confident | 71.4 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 176 | -179.3 | 163.7 | -179 | 171.2 | 0 | 111.4 | L110 M113 Y127 Q129 E133 I134 L135 F152 | L110-K131 HydrophobicContact CD1-CG 4.26Å; M113-K131 HydrophobicContact CE-CB 4.42Å; Y127-K131 HydrophobicContact CE1-CD 3.67Å; Y127-K131 HydrophobicContact CE2-CD 4.31Å; Y127-K131 WeakPolarHBondContact O-CB 3.46Å; Y127-K131 PolarHBondContact O-N 3.02Å; Y127-K131 VanDerWaalsContact OH-CD 3.28Å; Y127-K131 WeakPolarHBondContact OH-CD 3.41Å; Y127-K131 PolarHBondContact OH-NZ 2.8Å; Q129-K131 VanDerWaalsContact C-N 3.3Å; Q129-K131 PolarHBondContact O-N 3.44Å; K131-E133 VanDerWaalsContact C-N 3.28Å; K131-E133 PolarHBondContact O-N 3.44Å; K131-I134 PolarHBondContact O-N 2.97Å; K131-L135 HydrophobicContact CD-CD1 4.46Å; K131-L135 HydrophobicContact CG-CD1 3.72Å; K131-L135 HydrophobicContact CG-CG 4.13Å; K131-L135 VanDerWaalsContact O-CB 3.32Å; K131-L135 WeakPolarHBondContact O-CB 3.38Å; K131-L135 WeakPolarHBondContact O-CG 3.3Å; K131-L135 PolarHBondContact O-N 2.93Å; K131-F152 HydrophobicContact CB-CE1 4.05Å; K131-F152 HydrophobicContact CD-CD1 3.96Å; K131-F152 HydrophobicContact CD-CE1 3.62Å; K131-F152 HydrophobicContact CD-CE2 4.49Å; K131-F152 HydrophobicContact CD-CZ 3.92Å; K131-F152 HydrophobicContact CG-CD1 4Å; K131-F152 HydrophobicContact CG-CE1 3.72Å; K131-F152 HydrophobicContact CG-CZ 4.46Å |
| 132 | V | 75.9 | Confident | 71.3 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.067 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.4 | -41 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | T128 Q129 T136 F152 L153 N156 | T128-V132 VanDerWaalsContact O-CG2 3.25Å; T128-V132 WeakPolarHBondContact O-CG2 3.47Å; T128-V132 PolarHBondContact O-N 3Å; Q129-V132 PolarHBondContact O-N 3.37Å; V132-T136 WeakPolarHBondContact O-CB 3.39Å; V132-T136 PolarHBondContact O-N 3.29Å; V132-T136 PolarHBondContact O-OG1 3.07Å; V132-F152 HydrophobicContact CG2-CE1 4.31Å; V132-L153 HydrophobicContact CG1-CD2 4.21Å; V132-N156 HydrophobicContact CG2-CB 3.66Å |
| 133 | E | 73.5 | Confident | 71.4 | Confident | 15 Ų | 15 | 54.4 Ų | 54.4 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.1 | -53.9 | 176.4 | -70.6 | -177.7 | -174.9 | 0 | 0 | 111.9 | F89 K90 T91 V94 Q129 Q130 K131 L135 T136 A137 | F89-E133 HydrophobicContact CD1-CB 3.67Å; F89-E133 HydrophobicContact CD1-CG 3.83Å; F89-E133 HydrophobicContact CE1-CB 4.05Å; F89-E133 HydrophobicContact CE1-CG 4.5Å; F89-E133 VanDerWaalsContact CE1-O 3.24Å; F89-E133 WeakPolarHBondContact CE1-O 3.42Å; K90-E133 WeakPolarHBondContact CB-OE1 3.3Å; K90-E133 PolarHBondContact N-OE1 3.11Å; T91-E133 VanDerWaalsContact CB-OE2 3.23Å; T91-E133 WeakPolarHBondContact CB-OE2 3.4Å; T91-E133 PolarHBondContact N-OE2 2.95Å; T91-E133 PolarHBondContact OG1-OE2 3.32Å; V94-E133 HydrophobicContact CG1-CB 4.3Å; Q129-E133 WeakPolarHBondContact O-CG 3.4Å; Q129-E133 PolarHBondContact O-N 2.88Å; Q129-E133 VanDerWaalsContact O-N 3.07Å; Q130-E133 WeakPolarHBondContact O-CB 3.12Å; Q130-E133 PolarHBondContact O-N 3.42Å; K131-E133 VanDerWaalsContact C-N 3.28Å; K131-E133 PolarHBondContact O-N 3.44Å; E133-L135 PolarHBondContact O-N 3.41Å; E133-T136 PolarHBondContact O-N 3.29Å; E133-A137 WeakPolarHBondContact O-CB 3.39Å; E133-A137 PolarHBondContact O-N 2.91Å |
| 134 | I | 76 | Confident | 71.2 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | -178.5 | -67.8 | 168.7 | 0 | 0 | 0 | 111.6 | V94 L106 K109 L110 M113 Q130 K131 T136 A137 L138 | V94-I134 HydrophobicContact CG1-CG1 4.34Å; V94-I134 HydrophobicContact CG2-CD1 4.44Å; V94-I134 HydrophobicContact CG2-CG1 3.75Å; L106-I134 HydrophobicContact CB-CG2 4.08Å; L106-I134 HydrophobicContact CD2-CG1 4.31Å; L106-I134 HydrophobicContact CD2-CG2 4.2Å; K109-I134 HydrophobicContact CB-CD1 4.32Å; K109-I134 HydrophobicContact CG-CD1 4.05Å; L110-I134 HydrophobicContact CB-CG2 4.17Å; L110-I134 HydrophobicContact CD1-CB 4.22Å; L110-I134 HydrophobicContact CD1-CG2 3.75Å; M113-I134 HydrophobicContact SD-CD1 3.58Å; M113-I134 VanDerWaalsContact SD-CD1 3.58Å; Q130-I134 WeakPolarHBondContact O-CG1 3.49Å; Q130-I134 PolarHBondContact O-N 2.99Å; K131-I134 PolarHBondContact O-N 2.97Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.4Å; I134-A137 PolarHBondContact O-N 2.91Å; I134-L138 HydrophobicContact CG2-CD1 4Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 VanDerWaalsContact O-CG 3.32Å; I134-L138 WeakPolarHBondContact O-CG 3.25Å; I134-L138 PolarHBondContact O-N 2.88Å |
| 135 | L | 74.5 | Confident | 71.2 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -35.9 | 179.8 | -67 | 178.2 | 0 | 0 | 0 | 111.7 | L110 K131 E133 L138 R139 L145 D149 F152 L153 | L110-L135 HydrophobicContact CD1-CD2 3.63Å; L110-L135 HydrophobicContact CD1-CG 3.98Å; K131-L135 HydrophobicContact CD-CD1 4.46Å; K131-L135 HydrophobicContact CG-CD1 3.72Å; K131-L135 HydrophobicContact CG-CG 4.13Å; K131-L135 VanDerWaalsContact O-CB 3.32Å; K131-L135 WeakPolarHBondContact O-CB 3.38Å; K131-L135 WeakPolarHBondContact O-CG 3.3Å; K131-L135 PolarHBondContact O-N 2.93Å; E133-L135 PolarHBondContact O-N 3.41Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 3.5Å; L135-R139 PolarHBondContact O-N 3.03Å; L135-L145 HydrophobicContact CB-CD2 3.95Å; L135-L145 HydrophobicContact CD2-CD2 3.62Å; L135-L145 HydrophobicContact CG-CD2 4.33Å; L135-D149 HydrophobicContact CD1-CB 3.91Å; L135-D149 HydrophobicContact CD2-CB 3.75Å; L135-D149 VanDerWaalsContact CD2-CG 3.48Å; L135-D149 HydrophobicContact CG-CB 4.42Å; L135-F152 HydrophobicContact CD1-CD1 4.19Å; L135-L153 HydrophobicContact CB-CD1 3.87Å; L135-L153 HydrophobicContact CB-CD2 3.9Å; L135-L153 HydrophobicContact CB-CG 3.88Å; L135-L153 HydrophobicContact CD1-CG 4.2Å |
| 136 | T | 70.6 | Confident | 71.5 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.8 | -41.8 | 175.4 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | V132 E133 I134 R139 K140 L153 F164 | V132-T136 WeakPolarHBondContact O-CB 3.39Å; V132-T136 PolarHBondContact O-N 3.29Å; V132-T136 PolarHBondContact O-OG1 3.07Å; E133-T136 PolarHBondContact O-N 3.29Å; I134-T136 VanDerWaalsContact C-N 3.29Å; I134-T136 PolarHBondContact O-N 3.4Å; T136-R139 WeakPolarHBondContact O-CB 3.43Å; T136-R139 PolarHBondContact O-N 3.44Å; T136-K140 PolarHBondContact O-N 2.68Å; T136-K140 VanDerWaalsContact O-N 3.15Å; T136-L153 WeakPolarHBondContact OG1-CD2 3.17Å; T136-F164 HydrophobicContact CG2-CD1 3.37Å; T136-F164 HydrophobicContact CG2-CE1 3.12Å; T136-F164 HydrophobicContact CG2-CE2 4.44Å; T136-F164 HydrophobicContact CG2-CG 4.14Å; T136-F164 HydrophobicContact CG2-CZ 3.69Å |
| 137 | A | 70.1 | Confident | 71.5 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F89 V94 F98 L106 E133 I134 R139 K140 L141 | F89-A137 HydrophobicContact CE1-CB 4.27Å; F89-A137 HydrophobicContact CZ-CB 3.92Å; V94-A137 HydrophobicContact CG1-CB 4.19Å; F98-A137 HydrophobicContact CB-CB 4.28Å; F98-A137 HydrophobicContact CD2-CB 3.72Å; F98-A137 HydrophobicContact CE2-CB 4.32Å; F98-A137 WeakPolarHBondContact CE2-O 3.36Å; F98-A137 HydrophobicContact CG-CB 4.16Å; L106-A137 HydrophobicContact CD1-CB 3.93Å; E133-A137 WeakPolarHBondContact O-CB 3.39Å; E133-A137 PolarHBondContact O-N 2.91Å; I134-A137 PolarHBondContact O-N 2.91Å; A137-R139 PolarHBondContact O-N 2.97Å; A137-K140 PolarHBondContact O-N 3.47Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 2.79Å |
| 138 | L | 72.9 | Confident | 71.2 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.5 | -41.1 | 175.9 | -72.3 | 172.5 | 0 | 0 | 0 | 112.3 | P103 L106 R107 I134 L135 K140 L141 G142 E143 L145 | P103-L138 HydrophobicContact CB-CD2 3.83Å; L106-L138 HydrophobicContact CB-CD2 3.77Å; L106-L138 HydrophobicContact CB-CG 4.13Å; L106-L138 HydrophobicContact CD1-CD2 4.03Å; L106-L138 HydrophobicContact CD1-CG 4.32Å; R107-L138 HydrophobicContact CG-CD1 4.31Å; R107-L138 HydrophobicContact CG-CD2 4.47Å; I134-L138 HydrophobicContact CG2-CD1 4Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 VanDerWaalsContact O-CG 3.32Å; I134-L138 WeakPolarHBondContact O-CG 3.25Å; I134-L138 PolarHBondContact O-N 2.88Å; L135-L138 HydrophobicContact CD2-CD1 4.43Å; L135-L138 PolarHBondContact O-N 3.5Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.81Å; L138-L141 PolarHBondContact O-N 3.29Å; L138-G142 PolarHBondContact O-N 2.88Å; L138-E143 PolarHBondContact O-N 3.13Å; L138-E143 VanDerWaalsContact O-N 3.14Å; L138-L145 HydrophobicContact CB-CD2 4.44Å |
| 139 | R | 71.7 | Confident | 71.1 | Confident | 152 Ų | 152 | 54.2 Ų | 54.2 | 57% | 0.574 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -56.9 | -44.9 | 174.6 | -161.2 | 171.7 | 171.7 | -173.8 | -3 | 111.9 | L135 T136 A137 G142 L145 | L135-R139 PolarHBondContact O-N 3.03Å; T136-R139 WeakPolarHBondContact O-CB 3.43Å; T136-R139 PolarHBondContact O-N 3.44Å; A137-R139 PolarHBondContact O-N 2.97Å; R139-G142 PolarHBondContact O-N 3.45Å; R139-G142 VanDerWaalsContact O-N 3.16Å; R139-L145 HydrophobicContact CB-CD1 3.51Å; R139-L145 HydrophobicContact CG-CD1 3.64Å |
| 140 | K | 66.3 | Low | 70.8 | Confident | 88 Ų | 88 | 54.8 Ų | 54.8 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -76 | -26.7 | -177.2 | -75.1 | -64 | -170.6 | 178.4 | 0 | 113.5 | L79 F98 T136 A137 L138 G142 F164 S168 | L79-K140 HydrophobicContact CD2-CB 4.14Å; L79-K140 HydrophobicContact CD2-CD 4.05Å; L79-K140 HydrophobicContact CD2-CG 4.09Å; F98-K140 HydrophobicContact CE2-CB 3.7Å; F98-K140 HydrophobicContact CZ-CB 3.75Å; T136-K140 PolarHBondContact O-N 2.68Å; T136-K140 VanDerWaalsContact O-N 3.15Å; A137-K140 PolarHBondContact O-N 3.47Å; L138-K140 VanDerWaalsContact C-N 3.31Å; L138-K140 PolarHBondContact O-N 2.81Å; K140-G142 PolarHBondContact O-N 3.47Å; K140-F164 HydrophobicContact CD-CE1 4.39Å; K140-F164 HydrophobicContact CG-CE1 3.79Å; K140-F164 HydrophobicContact CG-CZ 3.86Å; K140-S168 PolarHBondContact NZ-OG 3.14Å |
| 141 | L | 64.9 | Low | 70.7 | Confident | 44 Ų | 44 | 57 Ų | 57 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -2 | 168.2 | -72.2 | 165.9 | 0 | 0 | 0 | 112.9 | F98 K101 P103 L106 A137 L138 E143 | F98-L141 HydrophobicContact CD2-CD1 3.9Å; F98-L141 HydrophobicContact CD2-CD2 4.21Å; F98-L141 HydrophobicContact CD2-CG 3.77Å; F98-L141 HydrophobicContact CE2-CD1 4.44Å; F98-L141 HydrophobicContact CE2-CD2 4.28Å; F98-L141 HydrophobicContact CE2-CG 3.84Å; K101-L141 HydrophobicContact CB-CD2 3.83Å; K101-L141 HydrophobicContact CG-CD2 3.81Å; P103-L141 HydrophobicContact CB-CD1 4.23Å; L106-L141 HydrophobicContact CD1-CD1 3.62Å; A137-L141 WeakPolarHBondContact O-CG 3.47Å; A137-L141 PolarHBondContact O-N 2.79Å; L138-L141 PolarHBondContact O-N 3.29Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.24Å |
| 142 | G | 64.1 | Low | 70.4 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 68% | 0.68 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 16.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L138 R139 K140 | L138-G142 PolarHBondContact O-N 2.88Å; R139-G142 PolarHBondContact O-N 3.45Å; R139-G142 VanDerWaalsContact O-N 3.16Å; K140-G142 PolarHBondContact O-N 3.47Å |
| 143 | E | 68 | Low | 70 | Confident | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 31% | 0.309 | C | S | . | . | trans | -75.3 | 144.6 | 173.1 | -91.3 | -149.8 | 167.4 | 0 | 0 | 111.6 | P103 R107 L138 L141 L145 | P103-E143 HydrophobicContact CB-CG 3.91Å; P103-E143 WeakPolarHBondContact CB-OE1 3.4Å; P103-E143 HydrophobicContact CG-CG 4.45Å; R107-E143 IonicContact CZ-OE2 3.13Å; R107-E143 IonicContact NE-OE1 3.48Å; R107-E143 IonicContact NE-OE2 3.88Å; R107-E143 PolarHBondContact NE-OE2 3.43Å; R107-E143 IonicContact NH2-OE1 3.1Å; R107-E143 IonicContact NH2-OE2 2.67Å; R107-E143 PolarHBondContact NH2-OE2 2.75Å; L138-E143 PolarHBondContact O-N 3.13Å; L138-E143 VanDerWaalsContact O-N 3.14Å; L141-E143 VanDerWaalsContact C-N 3.29Å; L141-E143 PolarHBondContact O-N 3.24Å; E143-L145 PolarHBondContact O-N 3.08Å | ||
| 144 | K | 67.3 | Low | 69.7 | Low | 191 Ų | 191 | 61.3 Ų | 61.3 | 83% | 0.83 | 33% | 0.333 | S | S | * | . | trans | -71.6 | 109.7 | 171.9 | -65.2 | -174.6 | -179.6 | -178.2 | 0 | 109.2 | R107 | R107-K144 PolarHBondContact NH2-O 3.46Š| ||
| 145 | L | 69.8 | Low | 69.2 | Low | 26 Ų | 26 | 65 Ų | 65 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | trans | -69.6 | 151.1 | 167 | -72.6 | 143.1 | 0 | 0 | 0 | 109.8 | L135 L138 R139 E143 D149 E150 L153 | L135-L145 HydrophobicContact CB-CD2 3.95Å; L135-L145 HydrophobicContact CD2-CD2 3.62Å; L135-L145 HydrophobicContact CG-CD2 4.33Å; L138-L145 HydrophobicContact CB-CD2 4.44Å; R139-L145 HydrophobicContact CB-CD1 3.51Å; R139-L145 HydrophobicContact CG-CD1 3.64Å; E143-L145 PolarHBondContact O-N 3.08Å; L145-D149 HydrophobicContact CB-CB 4.22Å; L145-D149 HydrophobicContact CD2-CB 3.81Å; L145-E150 HydrophobicContact CB-CG 4.08Å; L145-L153 HydrophobicContact CD1-CD1 4.13Å; L145-L153 HydrophobicContact CD2-CD1 4.3Å | ||
| 146 | T | 74.5 | Confident | 68.6 | Low | 79 Ų | 79 | 67.7 Ų | 67.7 | 49% | 0.485 | 38% | 0.379 | S | S | . | . | trans | -76.3 | 157.9 | 171.2 | 61.4 | 0 | 0 | 0 | 0 | 110.3 | D148 D149 E150 | T146-D148 PolarHBondContact O-N 2.98Å; T146-D149 PolarHBondContact N-OD2 3.14Å; T146-D149 WeakPolarHBondContact O-CB 3.38Å; T146-D149 PolarHBondContact O-N 2.98Å; T146-D149 PolarHBondContact OG1-N 3.43Å; T146-D149 PolarHBondContact OG1-OD2 3.32Å; T146-E150 PolarHBondContact O-N 3.35Å | ||
| 147 | A | 70.2 | Confident | 67.8 | Low | 70 Ų | 70 | 69.5 Ų | 69.5 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.6 | -31.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T151 | A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 2.97Å; A147-T151 PolarHBondContact O-OG1 3.5Å |
| 148 | D | 69.5 | Low | 67.5 | Low | 130 Ų | 130 | 72 Ų | 72 | 70% | 0.695 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.1 | -39.2 | 175.2 | -64.9 | -26 | 0 | 0 | 0 | 111.7 | T146 T151 F152 | T146-D148 PolarHBondContact O-N 2.98Å; D148-T151 PolarHBondContact O-N 3.02Å; D148-F152 WeakPolarHBondContact O-CB 3.42Å; D148-F152 PolarHBondContact O-N 2.94Å |
| 149 | D | 71.1 | Confident | 66.3 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.144 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -69.5 | -39.2 | 176.7 | -65.7 | -37.9 | 0 | 0 | 0 | 112.5 | L135 L145 T146 T151 F152 L153 | L135-D149 HydrophobicContact CD1-CB 3.91Å; L135-D149 HydrophobicContact CD2-CB 3.75Å; L135-D149 VanDerWaalsContact CD2-CG 3.48Å; L135-D149 HydrophobicContact CG-CB 4.42Å; L145-D149 HydrophobicContact CB-CB 4.22Å; L145-D149 HydrophobicContact CD2-CB 3.81Å; T146-D149 PolarHBondContact N-OD2 3.14Å; T146-D149 WeakPolarHBondContact O-CB 3.38Å; T146-D149 PolarHBondContact O-N 2.98Å; T146-D149 PolarHBondContact OG1-N 3.43Å; T146-D149 PolarHBondContact OG1-OD2 3.32Å; D149-T151 VanDerWaalsContact C-N 3.34Å; D149-F152 PolarHBondContact O-N 3.32Å; D149-L153 WeakPolarHBondContact O-CB 3.4Å; D149-L153 WeakPolarHBondContact O-CG 3.37Å; D149-L153 PolarHBondContact O-N 2.85Å |
| 150 | E | 66.9 | Low | 65.2 | Low | 112 Ų | 112 | 70.1 Ų | 70.1 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.4 | -41.3 | 173.5 | -78 | -171.3 | 156.5 | 0 | 0 | 111.4 | L145 T146 F152 L153 S154 | L145-E150 HydrophobicContact CB-CG 4.08Å; T146-E150 PolarHBondContact O-N 3.35Å; E150-F152 VanDerWaalsContact C-N 3.33Å; E150-L153 PolarHBondContact O-N 3.06Å; E150-S154 WeakPolarHBondContact O-CB 3.31Å; E150-S154 PolarHBondContact O-N 2.71Å; E150-S154 PolarHBondContact O-OG 3.21Å |
| 151 | T | 69.3 | Low | 64.5 | Low | 88 Ų | 88 | 67 Ų | 67 | 54% | 0.54 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 110.2 | A147 D148 D149 S154 A155 | A147-T151 WeakPolarHBondContact O-CB 3.41Å; A147-T151 PolarHBondContact O-N 2.97Å; A147-T151 PolarHBondContact O-OG1 3.5Å; D148-T151 PolarHBondContact O-N 3.02Å; D149-T151 VanDerWaalsContact C-N 3.34Å; T151-S154 WeakPolarHBondContact CA-OG 3.43Å; T151-S154 PolarHBondContact O-N 3.45Å; T151-S154 PolarHBondContact O-OG 3.37Å; T151-A155 VanDerWaalsContact O-CB 3.3Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 3.28Å |
| 152 | F | 70.6 | Confident | 63.7 | Low | 51 Ų | 51 | 67.7 Ų | 67.7 | 22% | 0.224 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.1 | -164.2 | -91.5 | 0 | 0 | 0 | 112.7 | Y127 T128 K131 V132 L135 D148 D149 E150 A155 N156 | Y127-F152 HydrophobicContact CE1-CZ 4.33Å; T128-F152 HydrophobicContact CG2-CE1 4.21Å; T128-F152 HydrophobicContact CG2-CZ 4.02Å; K131-F152 HydrophobicContact CB-CE1 4.05Å; K131-F152 HydrophobicContact CD-CD1 3.96Å; K131-F152 HydrophobicContact CD-CE1 3.62Å; K131-F152 HydrophobicContact CD-CE2 4.49Å; K131-F152 HydrophobicContact CD-CZ 3.92Å; K131-F152 HydrophobicContact CG-CD1 4Å; K131-F152 HydrophobicContact CG-CE1 3.72Å; K131-F152 HydrophobicContact CG-CZ 4.46Å; V132-F152 HydrophobicContact CG2-CE1 4.31Å; L135-F152 HydrophobicContact CD1-CD1 4.19Å; D148-F152 WeakPolarHBondContact O-CB 3.42Å; D148-F152 PolarHBondContact O-N 2.94Å; D149-F152 PolarHBondContact O-N 3.32Å; E150-F152 VanDerWaalsContact C-N 3.33Å; F152-A155 PolarHBondContact O-N 3.2Å; F152-N156 WeakPolarHBondContact CE1-ND2 3.39Å; F152-N156 WeakPolarHBondContact O-CB 3.45Å; F152-N156 PolarHBondContact O-N 3.39Å; F152-N156 PolarHBondContact O-ND2 3.46Å |
| 153 | L | 69.3 | Low | 63.1 | Low | 7 Ų | 7 | 69.1 Ų | 69.1 | 4% | 0.037 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 173.8 | -82.5 | 169.1 | 0 | 0 | 0 | 111.4 | V132 L135 T136 L145 D149 E150 N156 A157 L161 | V132-L153 HydrophobicContact CG1-CD2 4.21Å; L135-L153 HydrophobicContact CB-CD1 3.87Å; L135-L153 HydrophobicContact CB-CD2 3.9Å; L135-L153 HydrophobicContact CB-CG 3.88Å; L135-L153 HydrophobicContact CD1-CG 4.2Å; T136-L153 WeakPolarHBondContact OG1-CD2 3.17Å; L145-L153 HydrophobicContact CD1-CD1 4.13Å; L145-L153 HydrophobicContact CD2-CD1 4.3Å; D149-L153 WeakPolarHBondContact O-CB 3.4Å; D149-L153 WeakPolarHBondContact O-CG 3.37Å; D149-L153 PolarHBondContact O-N 2.85Å; E150-L153 PolarHBondContact O-N 3.06Å; L153-N156 CarbonylContact O-C 3.5Å; L153-N156 PolarHBondContact O-N 3.34Å; L153-A157 WeakPolarHBondContact O-CA 3.34Å; L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 2.9Å; L153-L161 HydrophobicContact CD2-CD1 4.3Å |
| 154 | S | 65.4 | Low | 62.2 | Low | 84 Ų | 84 | 67.2 Ų | 67.2 | 59% | 0.587 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -68.8 | -36 | 179.9 | 71.2 | 0 | 0 | 0 | 0 | 113 | E150 T151 A157 | E150-S154 WeakPolarHBondContact O-CB 3.31Å; E150-S154 PolarHBondContact O-N 2.71Å; E150-S154 PolarHBondContact O-OG 3.21Å; T151-S154 WeakPolarHBondContact CA-OG 3.43Å; T151-S154 PolarHBondContact O-N 3.45Å; T151-S154 PolarHBondContact O-OG 3.37Å; S154-A157 WeakPolarHBondContact O-CB 3.46Å |
| 155 | A | 67.1 | Low | 61.4 | Low | 79 Ų | 79 | 64.6 Ų | 64.6 | 65% | 0.653 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -72.2 | -30.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T151 F152 | T151-A155 VanDerWaalsContact O-CB 3.3Å; T151-A155 WeakPolarHBondContact O-CB 3.31Å; T151-A155 PolarHBondContact O-N 3.28Å; F152-A155 PolarHBondContact O-N 3.2Å |
| 156 | N | 62.1 | Low | 60.3 | Low | 57 Ų | 57 | 72.3 Ų | 72.3 | 31% | 0.305 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 16.3 | 179.7 | -63.7 | -77.4 | 0 | 0 | 0 | 112.9 | T128 V132 F152 L153 G158 | T128-N156 HydrophobicContact CG2-CB 4.23Å; T128-N156 WeakPolarHBondContact CG2-OD1 3.35Å; V132-N156 HydrophobicContact CG2-CB 3.66Å; F152-N156 WeakPolarHBondContact CE1-ND2 3.39Å; F152-N156 WeakPolarHBondContact O-CB 3.45Å; F152-N156 PolarHBondContact O-N 3.39Å; F152-N156 PolarHBondContact O-ND2 3.46Å; L153-N156 CarbonylContact O-C 3.5Å; L153-N156 PolarHBondContact O-N 3.34Å; N156-G158 PolarHBondContact O-N 3.01Å |
| 157 | A | 53.8 | Low | 58.9 | Low | 48 Ų | 48 | 69.4 Ų | 69.4 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | trans | -68.6 | 16.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L153 S154 L161 | L153-A157 WeakPolarHBondContact O-CA 3.34Å; L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.48Å; L153-A157 PolarHBondContact O-N 2.9Å; S154-A157 WeakPolarHBondContact O-CB 3.46Å; A157-L161 HydrophobicContact CB-CB 4.37Å; A157-L161 HydrophobicContact CB-CD1 3.67Å | ||
| 158 | G | 62.7 | Low | 57.5 | Low | 53 Ų | 53 | 67.9 Ų | 67.9 | 55% | 0.546 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -72.1 | 152.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N156 A160 | N156-G158 PolarHBondContact O-N 3.01Å; G158-A160 VanDerWaalsContact C-N 3.28Å; G158-A160 PolarHBondContact O-N 3.02Å |
| 159 | A | 48.7 | Very low | 56.2 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 60% | 0.595 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.7 | -62.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | L161 S162 Q163 | A159-L161 PolarHBondContact O-N 3.3Å; A159-S162 PolarHBondContact O-N 3.25Å; A159-S162 VanDerWaalsContact O-N 3.14Å; A159-S162 PolarHBondContact O-OG 2.88Å; A159-Q163 PolarHBondContact O-N 2.83Å; A159-Q163 VanDerWaalsContact O-N 3.09Å |
| 160 | A | 47.4 | Very low | 54.8 | Low | 48 Ų | 48 | 69.6 Ų | 69.6 | 40% | 0.397 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G158 S162 F164 | G158-A160 VanDerWaalsContact C-N 3.28Å; G158-A160 PolarHBondContact O-N 3.02Å; A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 3.44Å; A160-F164 WeakPolarHBondContact O-CB 3.37Å; A160-F164 PolarHBondContact O-N 3.45Å; A160-F164 VanDerWaalsContact O-N 3.13Å |
| 161 | L | 52.8 | Low | 53.6 | Low | 22 Ų | 22 | 66.4 Ų | 66.4 | 12% | 0.115 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.8 | -28.8 | 175.9 | -107.3 | 158.5 | 0 | 0 | 0 | 112.4 | L153 A157 A159 F164 E165 | L153-L161 HydrophobicContact CD2-CD1 4.3Å; A157-L161 HydrophobicContact CB-CB 4.37Å; A157-L161 HydrophobicContact CB-CD1 3.67Å; A159-L161 PolarHBondContact O-N 3.3Å; L161-F164 PolarHBondContact O-N 3.48Å; L161-E165 WeakPolarHBondContact O-CB 3.17Å; L161-E165 PolarHBondContact O-N 3.01Å |
| 162 | S | 48.1 | Very low | 52.1 | Low | 58 Ų | 58 | 63.2 Ų | 63.2 | 41% | 0.406 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -75.1 | -36.4 | 177.7 | 82.5 | 0 | 0 | 0 | 0 | 113.2 | A159 A160 F164 R166 | A159-S162 PolarHBondContact O-N 3.25Å; A159-S162 VanDerWaalsContact O-N 3.14Å; A159-S162 PolarHBondContact O-OG 2.88Å; A160-S162 VanDerWaalsContact C-N 3.33Å; A160-S162 PolarHBondContact O-N 3.44Å; S162-F164 VanDerWaalsContact C-N 3.3Å; S162-R166 WeakPolarHBondContact O-CG 3.4Å; S162-R166 PolarHBondContact O-N 3.08Å |
| 163 | Q | 49.9 | Very low | 50.7 | Low | 96 Ų | 96 | 64.7 Ų | 64.7 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -68.2 | -34.6 | 172.6 | -76.3 | 174.3 | -15.4 | 0 | 0 | 110.5 | A159 V167 | A159-Q163 PolarHBondContact O-N 2.83Å; A159-Q163 VanDerWaalsContact O-N 3.09Å; Q163-V167 WeakPolarHBondContact O-CG2 3.5Å; Q163-V167 PolarHBondContact O-N 3.49Å |
| 164 | F | 50.3 | Low | 49.3 | Very low | 13 Ų | 13 | 66.6 Ų | 66.6 | 6% | 0.057 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -78.4 | -34.4 | 176.3 | -166.1 | -108 | 0 | 0 | 0 | 114.4 | A83 A88 F89 T136 K140 A160 L161 S162 R166 V167 S168 | A83-F164 HydrophobicContact CB-CE2 3.9Å; A88-F164 HydrophobicContact CB-CB 3.96Å; A88-F164 HydrophobicContact CB-CD2 3.32Å; A88-F164 HydrophobicContact CB-CE2 4.17Å; A88-F164 HydrophobicContact CB-CG 4.08Å; F89-F164 HydrophobicContact CE2-CE2 4.21Å; F89-F164 HydrophobicContact CZ-CE2 4.1Å; F89-F164 HydrophobicContact CZ-CZ 4.3Å; T136-F164 HydrophobicContact CG2-CD1 3.37Å; T136-F164 HydrophobicContact CG2-CE1 3.12Å; T136-F164 HydrophobicContact CG2-CE2 4.44Å; T136-F164 HydrophobicContact CG2-CG 4.14Å; T136-F164 HydrophobicContact CG2-CZ 3.69Å; K140-F164 HydrophobicContact CD-CE1 4.39Å; K140-F164 HydrophobicContact CG-CE1 3.79Å; K140-F164 HydrophobicContact CG-CZ 3.86Å; A160-F164 WeakPolarHBondContact O-CB 3.37Å; A160-F164 PolarHBondContact O-N 3.45Å; A160-F164 VanDerWaalsContact O-N 3.13Å; L161-F164 PolarHBondContact O-N 3.48Å; S162-F164 VanDerWaalsContact C-N 3.3Å; F164-R166 VanDerWaalsContact C-N 3.33Å; F164-V167 WeakPolarHBondContact O-CB 3.21Å; F164-V167 PolarHBondContact O-N 2.92Å; F164-S168 PolarHBondContact O-N 3.24Å |
| 165 | E | 49.6 | Very low | 48.1 | Very low | 136 Ų | 136 | 68.8 Ų | 68.8 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.2 | -36.5 | 173.1 | -98 | -173.2 | 161.7 | 0 | 0 | 111.9 | L161 V167 S168 S169 | L161-E165 WeakPolarHBondContact O-CB 3.17Å; L161-E165 PolarHBondContact O-N 3.01Å; E165-V167 VanDerWaalsContact C-N 3.3Å; E165-V167 PolarHBondContact O-N 3.47Å; E165-S168 WeakPolarHBondContact O-CB 3.28Å; E165-S168 PolarHBondContact O-N 2.88Å; E165-S169 PolarHBondContact O-N 3.41Å |
| 166 | R | 47.8 | Very low | 46.7 | Very low | 189 Ų | 189 | 72.1 Ų | 72.1 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -57.9 | -44.6 | 171.6 | -80.2 | -177.6 | 169.6 | 154.8 | -0.5 | 111.5 | S162 F164 S169 D170 | S162-R166 WeakPolarHBondContact O-CG 3.4Å; S162-R166 PolarHBondContact O-N 3.08Å; F164-R166 VanDerWaalsContact C-N 3.33Å; R166-S169 PolarHBondContact O-N 2.95Å; R166-S169 PolarHBondContact O-OG 2.9Å; R166-D170 PolarHBondContact O-N 2.65Å |
| 167 | V | 45.1 | Very low | 45.8 | Very low | 17 Ų | 17 | 74 Ų | 74 | 10% | 0.103 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -63.1 | -41 | 175.7 | 164.7 | 0 | 0 | 0 | 0 | 112 | Q82 S86 Q163 F164 E165 S169 D170 | Q82-V167 HydrophobicContact CB-CG1 4.03Å; Q82-V167 HydrophobicContact CG-CB 4.5Å; Q82-V167 HydrophobicContact CG-CG1 3.57Å; Q82-V167 HydrophobicContact CG-CG2 4.43Å; Q82-V167 PolarHBondContact NE2-O 2.97Å; S86-V167 WeakPolarHBondContact OG-CG2 3.43Å; Q163-V167 WeakPolarHBondContact O-CG2 3.5Å; Q163-V167 PolarHBondContact O-N 3.49Å; F164-V167 WeakPolarHBondContact O-CB 3.21Å; F164-V167 PolarHBondContact O-N 2.92Å; E165-V167 VanDerWaalsContact C-N 3.3Å; E165-V167 PolarHBondContact O-N 3.47Å; V167-S169 PolarHBondContact O-N 2.95Å; V167-D170 PolarHBondContact O-N 2.76Å |
| 168 | S | 39.5 | Very low | 45 | Very low | 38 Ų | 38 | 78.2 Ų | 78.2 | 27% | 0.266 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 113.7 | K140 F164 E165 D170 G172 | K140-S168 PolarHBondContact NZ-OG 3.14Å; F164-S168 PolarHBondContact O-N 3.24Å; E165-S168 WeakPolarHBondContact O-CB 3.28Å; E165-S168 PolarHBondContact O-N 2.88Å; S168-D170 VanDerWaalsContact C-N 3.3Å; S168-G172 PolarHBondContact O-N 3.09Å; S168-G172 VanDerWaalsContact O-N 3.1Å |
| 169 | S | 43.8 | Very low | 44 | Very low | 81 Ų | 81 | 78.7 Ų | 78.7 | 57% | 0.566 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -69.6 | -30 | -179.7 | 68.6 | 0 | 0 | 0 | 0 | 112.6 | E165 R166 V167 G172 | E165-S169 PolarHBondContact O-N 3.41Å; R166-S169 PolarHBondContact O-N 2.95Å; R166-S169 PolarHBondContact O-OG 2.9Å; V167-S169 PolarHBondContact O-N 2.95Å; S169-G172 PolarHBondContact O-N 3.18Å |
| 170 | D | 41.2 | Very low | 43.7 | Very low | 112 Ų | 112 | 80.4 Ų | 80.4 | 60% | 0.599 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -75.5 | -29.2 | -178.7 | -145.1 | 32.7 | 0 | 0 | 0 | 112 | R166 V167 S168 | R166-D170 PolarHBondContact O-N 2.65Å; V167-D170 PolarHBondContact O-N 2.76Å; S168-D170 VanDerWaalsContact C-N 3.3Å |
| 171 | L | 42 | Very low | 43.4 | Very low | 45 Ų | 45 | 80.7 Ų | 80.7 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -83.7 | -24.2 | 172 | -88.6 | 154.8 | 0 | 0 | 0 | 113.8 | L79 S173 G174 | L79-L171 HydrophobicContact CD1-CD1 4.02Å; L79-L171 HydrophobicContact CG-CD1 3.92Å; L171-S173 PolarHBondContact O-N 3.14Å; L171-G174 PolarHBondContact O-N 3.05Å |
| 172 | G | 37.8 | Very low | 42.6 | Very low | 22 Ų | 22 | 83 Ų | 83 | 23% | 0.227 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.9 | -3.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S168 S169 G174 K176 | S168-G172 PolarHBondContact O-N 3.09Å; S168-G172 VanDerWaalsContact O-N 3.1Å; S169-G172 PolarHBondContact O-N 3.18Å; G172-G174 VanDerWaalsContact C-N 3.33Å; G172-K176 WeakPolarHBondContact O-CB 3.36Å; G172-K176 WeakPolarHBondContact O-CG 3.06Å; G172-K176 PolarHBondContact O-N 3.47Å |
| 173 | S | 41.2 | Very low | 42.1 | Very low | 82 Ų | 82 | 86.9 Ų | 86.9 | 57% | 0.573 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.8 | -23.8 | 172.8 | -55.5 | 0 | 0 | 0 | 0 | 112.2 | L171 V177 | L171-S173 PolarHBondContact O-N 3.14Å; S173-V177 WeakPolarHBondContact O-CG2 3.43Å |
| 174 | G | 39.8 | Very low | 41.7 | Very low | 46 Ų | 46 | 89.2 Ų | 89.2 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -78.7 | -46.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | L171 G172 K176 V177 F178 | L171-G174 PolarHBondContact O-N 3.05Å; G172-G174 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 3.14Å; G174-V177 PolarHBondContact O-N 2.93Å; G174-V177 VanDerWaalsContact O-N 3.13Å; G174-F178 PolarHBondContact O-N 3.08Å; G174-F178 VanDerWaalsContact O-N 3.09Å |
| 175 | D | 39.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 93.2 Ų | 93.2 | 70% | 0.695 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68 | -34.1 | -179 | -109.6 | -12.1 | 0 | 0 | 0 | 112.6 | V177 F178 A179 | D175-V177 VanDerWaalsContact C-N 3.3Å; D175-V177 PolarHBondContact O-N 2.93Å; D175-F178 PolarHBondContact O-N 2.88Å; D175-A179 WeakPolarHBondContact O-CB 3.2Å; D175-A179 PolarHBondContact O-N 3.39Å |
| 176 | K | 38.4 | Very low | 41.3 | Very low | 150 Ų | 150 | 94.1 Ų | 94.1 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -31.4 | 172.6 | -76 | -178.3 | -179.2 | 179.2 | 0 | 112.4 | G172 G174 L180 | G172-K176 WeakPolarHBondContact O-CB 3.36Å; G172-K176 WeakPolarHBondContact O-CG 3.06Å; G172-K176 PolarHBondContact O-N 3.47Å; G174-K176 PolarHBondContact O-N 3.14Å; K176-L180 VanDerWaalsContact O-CB 3.27Å; K176-L180 WeakPolarHBondContact O-CB 3.3Å; K176-L180 WeakPolarHBondContact O-CD1 3.45Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 3.39Å |
| 177 | V | 42.4 | Very low | 41 | Very low | 97 Ų | 97 | 92.7 Ų | 92.7 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74 | -35.2 | 177.2 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | S173 G174 D175 A181 | S173-V177 WeakPolarHBondContact O-CG2 3.43Å; G174-V177 PolarHBondContact O-N 2.93Å; G174-V177 VanDerWaalsContact O-N 3.13Å; D175-V177 VanDerWaalsContact C-N 3.3Å; D175-V177 PolarHBondContact O-N 2.93Å; V177-A181 WeakPolarHBondContact O-CB 3.4Å; V177-A181 PolarHBondContact O-N 2.96Å |
| 178 | F | 37.5 | Very low | 41 | Very low | 136 Ų | 136 | 95.9 Ų | 95.9 | 60% | 0.596 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.7 | -41.4 | 171.2 | -114.8 | -87 | 0 | 0 | 0 | 112.6 | M68 G174 D175 S182 | M68-F178 HydrophobicContact SD-CE2 4.3Å; G174-F178 PolarHBondContact O-N 3.08Å; G174-F178 VanDerWaalsContact O-N 3.09Å; D175-F178 PolarHBondContact O-N 2.88Å; F178-S182 WeakPolarHBondContact O-CB 3.44Å; F178-S182 PolarHBondContact O-N 3.16Å; F178-S182 PolarHBondContact O-OG 2.7Å |
| 179 | A | 42.1 | Very low | 41.2 | Very low | 62 Ų | 62 | 103 Ų | 103 | 51% | 0.512 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.9 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D175 F183 | D175-A179 WeakPolarHBondContact O-CB 3.2Å; D175-A179 PolarHBondContact O-N 3.39Å; A179-F183 WeakPolarHBondContact O-CB 3.47Å; A179-F183 PolarHBondContact O-N 3.02Å |
| 180 | L | 40.8 | Very low | 41 | Very low | 109 Ų | 109 | 110.8 Ų | 110.8 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.8 | -39.1 | 176.2 | -79 | 161.8 | 0 | 0 | 0 | 112.3 | K176 S182 F183 E184 | K176-L180 VanDerWaalsContact O-CB 3.27Å; K176-L180 WeakPolarHBondContact O-CB 3.3Å; K176-L180 WeakPolarHBondContact O-CD1 3.45Å; K176-L180 WeakPolarHBondContact O-CG 3.44Å; K176-L180 PolarHBondContact O-N 3.39Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.06Å; L180-F183 PolarHBondContact O-N 3.03Å; L180-E184 PolarHBondContact O-N 3.4Å |
| 181 | A | 41.8 | Very low | 41 | Very low | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.9 | -36.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V177 F183 V185 | V177-A181 WeakPolarHBondContact O-CB 3.4Å; V177-A181 PolarHBondContact O-N 2.96Å; A181-F183 VanDerWaalsContact C-N 3.33Å; A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.37Å; A181-V185 PolarHBondContact O-N 2.94Å |
| 182 | S | 35.6 | Very low | 40.9 | Very low | 71 Ų | 71 | 114.2 Ų | 114.2 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.9 | -38.7 | 174.1 | -52.1 | 0 | 0 | 0 | 0 | 111.7 | F178 L180 | F178-S182 WeakPolarHBondContact O-CB 3.44Å; F178-S182 PolarHBondContact O-N 3.16Å; F178-S182 PolarHBondContact O-OG 2.7Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.06Å |
| 183 | F | 38.4 | Very low | 41.1 | Very low | 139 Ų | 139 | 119.3 Ų | 119.3 | 61% | 0.61 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.8 | -35.8 | -177.8 | -163.7 | -100 | 0 | 0 | 0 | 113.2 | A179 L180 A181 | A179-F183 WeakPolarHBondContact O-CB 3.47Å; A179-F183 PolarHBondContact O-N 3.02Å; L180-F183 PolarHBondContact O-N 3.03Å; A181-F183 VanDerWaalsContact C-N 3.33Å |
| 184 | E | 41.3 | Very low | 41.1 | Very low | 145 Ų | 145 | 121.5 Ų | 121.5 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.3 | -30.5 | 178.7 | -69.6 | -155.2 | 158.5 | 0 | 0 | 113.4 | L180 E186 K187 A188 | L180-E184 PolarHBondContact O-N 3.4Å; E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.89Å; E184-K187 PolarHBondContact O-N 3.05Å; E184-A188 PolarHBondContact O-N 3.17Å |
| 185 | V | 48.9 | Very low | 41.2 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 59% | 0.588 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.5 | -30.5 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | A181 | A181-V185 VanDerWaalsContact O-CG2 3.29Å; A181-V185 WeakPolarHBondContact O-CG2 3.37Å; A181-V185 PolarHBondContact O-N 2.94Å |
| 186 | E | 42.3 | Very low | 41.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 72% | 0.724 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.8 | -26.6 | 178.4 | -160.9 | 151.6 | -162.7 | 0 | 0 | 112.4 | E184 | E184-E186 VanDerWaalsContact C-N 3.33Å; E184-E186 PolarHBondContact O-N 2.89Å |
| 187 | K | 42.2 | Very low | 41.5 | Very low | 160 Ų | 160 | 124.3 Ų | 124.3 | 70% | 0.696 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80.5 | -20 | 176.3 | -135.8 | -179.7 | -174 | -177.7 | 0 | 113.9 | E184 K189 | E184-K187 PolarHBondContact O-N 3.05Å; K187-K189 VanDerWaalsContact C-N 3.31Å |
| 188 | A | 44.8 | Very low | 41.4 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 69% | 0.694 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 0.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E184 | E184-A188 PolarHBondContact O-N 3.17Š|
| 189 | K | 44.2 | Very low | 41.7 | Very low | 186 Ų | 186 | 125.6 Ų | 125.6 | 81% | 0.809 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 7.9 | 179.2 | -88 | -173.5 | 177.1 | 179.9 | 0 | 114.8 | K187 | K187-K189 VanDerWaalsContact C-N 3.31Š|
| 190 | Q | 38.4 | Very low | 41.7 | Very low | 246 Ų | 246 | 131.4 Ų | 131.4 | 100% | 1.15 | 68% | 0.678 | S | S | * | * | trans | -105.8 | 0 | 169.4 | -82.8 | -170.9 | -4.5 | 0 | 0 | 111.7 |
Retrieved 190 of 190 residues in 362.6 ms
(Link to these results)