| 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 | 66 | Low | 90.6 | Very high | 173 Ų | 173 | 67.1 Ų | 67.1 | 85% | 0.852 | 35% | 0.351 | S | S | * | . | 0 | 127.2 | 0 | -175.8 | 177.3 | -74.8 | 0 | 0 | 106.1 | A5 Y6 L9 | M1-A5 HydrophobicContact CG-CB 3.74Å; M1-Y6 HydrophobicContact SD-CD2 4.07Å; M1-L9 HydrophobicContact CE-CD2 4.33Å; M1-L9 HydrophobicContact SD-CD2 4.3Å | |||
| 2 | D | 87.8 | Confident | 91.2 | Very high | 102 Ų | 102 | 70.2 Ų | 70.2 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | trans | -67.2 | 152.8 | 174.3 | 180 | 29 | 0 | 0 | 0 | 110.1 | T4 A5 Y6 | D2-T4 PolarHBondContact O-N 2.73Å; D2-T4 PolarHBondContact OD2-OG1 3.27Å; D2-A5 PolarHBondContact O-N 3.12Å; D2-A5 VanDerWaalsContact O-N 3.1Å; D2-Y6 PolarHBondContact O-N 2.85Å | ||
| 3 | L | 88.8 | Confident | 91.7 | Very high | 85 Ų | 85 | 68.2 Ų | 68.2 | 45% | 0.445 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.5 | -34.5 | -177.5 | -73.3 | 173.9 | 0 | 0 | 0 | 112.1 | Y6 A7 I36 L40 | L3-Y6 PolarHBondContact O-N 2.93Å; L3-A7 PolarHBondContact O-N 3.32Å; L3-I36 HydrophobicContact CB-CG2 3.94Å; L3-I36 HydrophobicContact CD2-CG2 4.44Å; L3-I36 WeakPolarHBondContact O-CG2 3.43Å; L3-L40 HydrophobicContact CB-CD1 3.98Å; L3-L40 HydrophobicContact CB-CD2 4.2Å; L3-L40 HydrophobicContact CB-CG 4.48Å; L3-L40 HydrophobicContact CD1-CD2 3.98Å |
| 4 | T | 87.6 | Confident | 92.2 | Very high | 68 Ų | 68 | 63.4 Ų | 63.4 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 173.8 | 57.5 | 0 | 0 | 0 | 0 | 111.6 | D2 Y6 A7 E8 L40 | D2-T4 PolarHBondContact O-N 2.73Å; D2-T4 PolarHBondContact OD2-OG1 3.27Å; T4-Y6 VanDerWaalsContact C-N 3.27Å; T4-Y6 PolarHBondContact O-N 3.45Å; T4-A7 PolarHBondContact O-N 3Å; T4-E8 PolarHBondContact O-N 2.98Å; T4-L40 HydrophobicContact CG2-CD1 3.76Å |
| 5 | A | 91.8 | Very high | 92.6 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -32.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 D2 L9 | M1-A5 HydrophobicContact CG-CB 3.74Å; D2-A5 PolarHBondContact O-N 3.12Å; D2-A5 VanDerWaalsContact O-N 3.1Å; A5-L9 PolarHBondContact O-N 3.11Å |
| 6 | Y | 94 | Very high | 93 | Very high | 80 Ų | 80 | 63.3 Ų | 63.3 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 174.9 | -173.8 | -121.3 | 0 | 0 | 0 | 112.2 | M1 D2 L3 T4 E8 L9 L10 E32 I36 | M1-Y6 HydrophobicContact SD-CD2 4.07Å; D2-Y6 PolarHBondContact O-N 2.85Å; L3-Y6 PolarHBondContact O-N 2.93Å; T4-Y6 VanDerWaalsContact C-N 3.27Å; T4-Y6 PolarHBondContact O-N 3.45Å; Y6-E8 VanDerWaalsContact C-N 3.31Å; Y6-E8 PolarHBondContact O-N 3.26Å; Y6-L9 HydrophobicContact CD2-CD2 4.35Å; Y6-L9 WeakPolarHBondContact O-CB 3.32Å; Y6-L9 PolarHBondContact O-N 2.89Å; Y6-L10 HydrophobicContact CD1-CD1 4.02Å; Y6-L10 HydrophobicContact CE1-CD1 3.63Å; Y6-L10 HydrophobicContact CE1-CG 4.32Å; Y6-L10 HydrophobicContact CE2-CG 4.39Å; Y6-L10 WeakPolarHBondContact O-CG 3.41Å; Y6-L10 PolarHBondContact O-N 3.46Å; Y6-E32 PolarHBondContact OH-OE1 3.47Å; Y6-I36 HydrophobicContact CD1-CD1 3.45Å; Y6-I36 VanDerWaalsContact CD1-CD1 3.45Å; Y6-I36 HydrophobicContact CE1-CD1 3.74Å |
| 7 | A | 94 | Very high | 93.3 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.008 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | L3 T4 L10 K11 I36 L37 | L3-A7 PolarHBondContact O-N 3.32Å; T4-A7 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 2.94Å; A7-K11 PolarHBondContact O-N 3.31Å; A7-I36 HydrophobicContact CB-CB 4.28Å; A7-I36 HydrophobicContact CB-CG2 4.02Å; A7-L37 HydrophobicContact CB-CD2 3.92Å; A7-L37 HydrophobicContact CB-CG 4.05Å |
| 8 | E | 94.1 | Very high | 93.5 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.4 | -73.6 | -61.4 | 110.7 | 0 | 0 | 112.4 | T4 Y6 L10 K11 E12 | T4-E8 PolarHBondContact O-N 2.98Å; Y6-E8 VanDerWaalsContact C-N 3.31Å; Y6-E8 PolarHBondContact O-N 3.26Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.91Å; E8-K11 WeakPolarHBondContact O-CB 3.45Å; E8-K11 PolarHBondContact O-N 3.1Å; E8-K11 IonicContact OE1-NZ 3.74Å; E8-K11 PolarHBondContact OE1-NZ 3.35Å; E8-K11 VanDerWaalsContact OE2-CE 3.24Å; E8-K11 WeakPolarHBondContact OE2-CE 3.45Å; E8-K11 IonicContact OE2-NZ 2.58Å; E8-K11 PolarHBondContact OE2-NZ 3.13Å; E8-E12 PolarHBondContact O-N 3.18Å |
| 9 | L | 96.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 64.1 Ų | 64.1 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 174.7 | -177.9 | 69.3 | 0 | 0 | 0 | 111.8 | M1 A5 Y6 E12 S13 | M1-L9 HydrophobicContact CE-CD2 4.33Å; M1-L9 HydrophobicContact SD-CD2 4.3Å; A5-L9 PolarHBondContact O-N 3.11Å; Y6-L9 HydrophobicContact CD2-CD2 4.35Å; Y6-L9 WeakPolarHBondContact O-CB 3.32Å; Y6-L9 PolarHBondContact O-N 2.89Å; L9-E12 PolarHBondContact O-N 3.21Å; L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.35Å; L9-S13 PolarHBondContact O-N 2.84Å |
| 10 | L | 97.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 66.6 Ų | 66.6 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 176.7 | -72.6 | 167.7 | 0 | 0 | 0 | 112 | Y6 A7 E8 S13 G14 K29 E32 A33 I36 | Y6-L10 HydrophobicContact CD1-CD1 4.02Å; Y6-L10 HydrophobicContact CE1-CD1 3.63Å; Y6-L10 HydrophobicContact CE1-CG 4.32Å; Y6-L10 HydrophobicContact CE2-CG 4.39Å; Y6-L10 WeakPolarHBondContact O-CG 3.41Å; Y6-L10 PolarHBondContact O-N 3.46Å; A7-L10 PolarHBondContact O-N 2.94Å; E8-L10 VanDerWaalsContact C-N 3.3Å; E8-L10 PolarHBondContact O-N 2.91Å; L10-S13 PolarHBondContact O-N 3.02Å; L10-G14 PolarHBondContact O-N 3.39Å; L10-K29 HydrophobicContact CD2-CD 3.67Å; L10-E32 HydrophobicContact CD1-CB 3.9Å; L10-E32 HydrophobicContact CD1-CG 3.56Å; L10-E32 HydrophobicContact CD2-CB 4.48Å; L10-E32 HydrophobicContact CD2-CG 4.35Å; L10-E32 VanDerWaalsContact CD2-OE2 3.26Å; L10-E32 WeakPolarHBondContact CD2-OE2 3.43Å; L10-A33 HydrophobicContact CB-CB 3.83Å; L10-A33 HydrophobicContact CD1-CB 4.43Å; L10-I36 HydrophobicContact CD1-CD1 3.55Å |
| 11 | K | 97.4 | Very high | 94.1 | Very high | 17 Ų | 17 | 65.3 Ų | 65.3 | 7% | 0.074 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.8 | -52.1 | 172.4 | -176.6 | 176.6 | 73.8 | -161.7 | 0 | 110.9 | A7 E8 G14 N15 D49 V52 L53 | A7-K11 PolarHBondContact O-N 3.31Å; E8-K11 WeakPolarHBondContact O-CB 3.45Å; E8-K11 PolarHBondContact O-N 3.1Å; E8-K11 IonicContact OE1-NZ 3.74Å; E8-K11 PolarHBondContact OE1-NZ 3.35Å; E8-K11 VanDerWaalsContact OE2-CE 3.24Å; E8-K11 WeakPolarHBondContact OE2-CE 3.45Å; E8-K11 IonicContact OE2-NZ 2.58Å; E8-K11 PolarHBondContact OE2-NZ 3.13Å; K11-G14 PolarHBondContact O-N 3.25Å; K11-N15 PolarHBondContact O-N 3Å; K11-N15 PolarHBondContact O-ND2 3.22Å; K11-N15 PolarHBondContact O-OD1 3.22Å; K11-D49 IonicContact NZ-OD1 3.64Å; K11-D49 PolarHBondContact NZ-OD1 3.02Å; K11-V52 HydrophobicContact CD-CG1 4.43Å; K11-L53 HydrophobicContact CB-CD2 3.81Å; K11-L53 HydrophobicContact CD-CD2 4.23Å; K11-L53 HydrophobicContact CD-CG 4.47Å; K11-L53 HydrophobicContact CG-CD2 3.71Å; K11-L53 HydrophobicContact CG-CG 4.47Å |
| 12 | E | 98.1 | Very high | 95.6 | Very high | 104 Ų | 104 | 61 Ų | 61 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | -179.2 | -68.8 | -49.1 | 125.5 | 0 | 0 | 112.5 | E8 L9 G14 N15 Q16 | E8-E12 PolarHBondContact O-N 3.18Å; L9-E12 PolarHBondContact O-N 3.21Å; E12-G14 PolarHBondContact O-N 3.32Å; E12-N15 PolarHBondContact O-N 2.96Å; E12-N15 PolarHBondContact OE1-ND2 3.23Å; E12-Q16 PolarHBondContact O-N 3.36Å |
| 13 | S | 98.2 | Very high | 96.1 | Very high | 45 Ų | 45 | 58.5 Ų | 58.5 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -46.1 | 172.2 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | L9 L10 N15 Q16 V17 | L9-S13 VanDerWaalsContact O-CB 3.3Å; L9-S13 WeakPolarHBondContact O-CB 3.35Å; L9-S13 PolarHBondContact O-N 2.84Å; L10-S13 PolarHBondContact O-N 3.02Å; S13-N15 PolarHBondContact O-N 3.41Å; S13-Q16 PolarHBondContact O-N 3.47Å; S13-V17 WeakPolarHBondContact O-CB 3.11Å; S13-V17 VanDerWaalsContact O-CG2 3.24Å; S13-V17 WeakPolarHBondContact O-CG2 3.33Å; S13-V17 PolarHBondContact O-N 2.71Å |
| 14 | G | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 K11 E12 Q16 V17 L18 Y30 | L10-G14 PolarHBondContact O-N 3.39Å; K11-G14 PolarHBondContact O-N 3.25Å; E12-G14 PolarHBondContact O-N 3.32Å; G14-Q16 PolarHBondContact O-N 3.43Å; G14-V17 PolarHBondContact O-N 3.27Å; G14-L18 VanDerWaalsContact O-CB 3.24Å; G14-L18 WeakPolarHBondContact O-CB 3.47Å; G14-L18 PolarHBondContact O-N 2.91Å; G14-Y30 PolarHBondContact O-OH 2.69Å |
| 15 | N | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 56.6 Ų | 56.6 | 16% | 0.155 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 177.1 | -69.1 | -19.1 | 0 | 0 | 0 | 111.5 | K11 E12 S13 L18 K19 Y30 N56 | K11-N15 PolarHBondContact O-N 3Å; K11-N15 PolarHBondContact O-ND2 3.22Å; K11-N15 PolarHBondContact O-OD1 3.22Å; E12-N15 PolarHBondContact O-N 2.96Å; E12-N15 PolarHBondContact OE1-ND2 3.23Å; S13-N15 PolarHBondContact O-N 3.41Å; N15-L18 PolarHBondContact O-N 3.07Å; N15-K19 VanDerWaalsContact O-CG 3.32Å; N15-K19 WeakPolarHBondContact O-CG 3.33Å; N15-K19 PolarHBondContact O-N 3.35Å; N15-Y30 WeakPolarHBondContact CA-OH 3.09Å; N15-Y30 PolarHBondContact N-OH 3.1Å; N15-Y30 PolarHBondContact OD1-OH 2.9Å; N15-Y30 VanDerWaalsContact OD1-OH 3.14Å; N15-N56 PolarHBondContact OD1-ND2 3.05Å |
| 16 | Q | 98.4 | Very high | 97.4 | Very high | 97 Ų | 97 | 54.4 Ų | 54.4 | 45% | 0.453 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.5 | -45.3 | 178.9 | -175.1 | 56.9 | 50.1 | 0 | 0 | 111.8 | E12 S13 G14 L18 K19 N20 | E12-Q16 PolarHBondContact O-N 3.36Å; S13-Q16 PolarHBondContact O-N 3.47Å; G14-Q16 PolarHBondContact O-N 3.43Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 2.94Å; Q16-K19 PolarHBondContact O-N 2.99Å; Q16-N20 PolarHBondContact NE2-OD1 3.21Å; Q16-N20 VanDerWaalsContact O-CG 3.25Å; Q16-N20 PolarHBondContact O-N 3.46Å; Q16-N20 PolarHBondContact O-OD1 3.24Å |
| 17 | V | 97.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 51.3 Ų | 51.3 | 13% | 0.133 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 178.3 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | S13 G14 N20 G21 N22 L25 A26 | S13-V17 WeakPolarHBondContact O-CB 3.11Å; S13-V17 VanDerWaalsContact O-CG2 3.24Å; S13-V17 WeakPolarHBondContact O-CG2 3.33Å; S13-V17 PolarHBondContact O-N 2.71Å; G14-V17 PolarHBondContact O-N 3.27Å; V17-N20 CarbonylContact O-C 3.57Å; V17-N20 PolarHBondContact O-N 3.43Å; V17-G21 PolarHBondContact O-N 3.2Å; V17-N22 HydrophobicContact CG1-CB 3.76Å; V17-N22 WeakPolarHBondContact CG1-O 3.23Å; V17-N22 PolarHBondContact O-N 3.05Å; V17-N22 VanDerWaalsContact O-N 3.11Å; V17-L25 HydrophobicContact CG1-CB 3.65Å; V17-L25 HydrophobicContact CG1-CD2 3.8Å; V17-L25 HydrophobicContact CG1-CG 3.72Å; V17-L25 HydrophobicContact CG2-CD2 4Å; V17-L25 HydrophobicContact CG2-CG 4.37Å; V17-A26 HydrophobicContact CB-CB 4.43Å; V17-A26 HydrophobicContact CG1-CB 4.12Å |
| 18 | L | 97.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 59 Ų | 59 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.2 | -178.4 | 141.4 | 0 | 0 | 0 | 111.5 | G14 N15 Q16 N20 G21 F23 A26 Y30 A60 | G14-L18 VanDerWaalsContact O-CB 3.24Å; G14-L18 WeakPolarHBondContact O-CB 3.47Å; G14-L18 PolarHBondContact O-N 2.91Å; N15-L18 PolarHBondContact O-N 3.07Å; Q16-L18 VanDerWaalsContact C-N 3.3Å; Q16-L18 PolarHBondContact O-N 2.94Å; L18-N20 PolarHBondContact O-N 3.21Å; L18-G21 PolarHBondContact O-N 3.31Å; L18-F23 HydrophobicContact CG-CD1 4.45Å; L18-A26 HydrophobicContact CB-CB 3.83Å; L18-Y30 HydrophobicContact CD1-CE2 4.01Å; L18-A60 HydrophobicContact CD1-CB 3.95Å |
| 19 | K | 97.9 | Very high | 98.1 | Very high | 155 Ų | 155 | 58.2 Ų | 58.2 | 67% | 0.674 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -60.6 | -33.5 | 175.1 | -72.5 | 171.3 | -177 | 175.9 | 0 | 112.2 | N15 Q16 G21 | N15-K19 VanDerWaalsContact O-CG 3.32Å; N15-K19 WeakPolarHBondContact O-CG 3.33Å; N15-K19 PolarHBondContact O-N 3.35Å; Q16-K19 PolarHBondContact O-N 2.99Å; K19-G21 PolarHBondContact O-N 3.18Å |
| 20 | N | 97.5 | Very high | 98.2 | Very high | 115 Ų | 115 | 53.7 Ų | 53.7 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.4 | 176.8 | -64.2 | -4.7 | 0 | 0 | 0 | 113.4 | Q16 V17 L18 N22 | Q16-N20 PolarHBondContact NE2-OD1 3.21Å; Q16-N20 VanDerWaalsContact O-CG 3.25Å; Q16-N20 PolarHBondContact O-N 3.46Å; Q16-N20 PolarHBondContact O-OD1 3.24Å; V17-N20 CarbonylContact O-C 3.57Å; V17-N20 PolarHBondContact O-N 3.43Å; L18-N20 PolarHBondContact O-N 3.21Å; N20-N22 VanDerWaalsContact C-N 3.32Å; N20-N22 PolarHBondContact O-N 3.44Å |
| 21 | G | 97.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 56.3 Ų | 56.3 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | 2.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V17 L18 K19 F23 | V17-G21 PolarHBondContact O-N 3.2Å; L18-G21 PolarHBondContact O-N 3.31Å; K19-G21 PolarHBondContact O-N 3.18Å; G21-F23 VanDerWaalsContact C-N 3.29Å; G21-F23 VanDerWaalsContact O-CD2 3.32Å; G21-F23 WeakPolarHBondContact O-CD2 3.44Å; G21-F23 WeakPolarHBondContact O-CE2 3.24Å; G21-F23 PolarHBondContact O-N 3.42Å |
| 22 | N | 98.1 | Very high | 98.2 | Very high | 82 Ų | 82 | 58.6 Ų | 58.6 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | trans | -87.7 | 69.9 | 177.6 | -172.8 | -15 | 0 | 0 | 0 | 111 | V17 N20 S24 L25 A26 | V17-N22 HydrophobicContact CG1-CB 3.76Å; V17-N22 WeakPolarHBondContact CG1-O 3.23Å; V17-N22 PolarHBondContact O-N 3.05Å; V17-N22 VanDerWaalsContact O-N 3.11Å; N20-N22 VanDerWaalsContact C-N 3.32Å; N20-N22 PolarHBondContact O-N 3.44Å; N22-S24 VanDerWaalsContact C-N 3.32Å; N22-S24 PolarHBondContact O-N 3.44Å; N22-L25 PolarHBondContact O-N 3.03Å; N22-L25 VanDerWaalsContact OD1-CB 3.31Å; N22-L25 WeakPolarHBondContact OD1-CB 3.36Å; N22-L25 PolarHBondContact OD1-N 2.9Å; N22-A26 PolarHBondContact O-N 3.38Å | ||
| 23 | F | 98.3 | Very high | 98.2 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61 | -36.7 | -171.8 | -50.9 | -56.6 | 0 | 0 | 0 | 113.6 | L18 G21 L25 A26 I27 A60 S63 L64 | L18-F23 HydrophobicContact CG-CD1 4.45Å; G21-F23 VanDerWaalsContact C-N 3.29Å; G21-F23 VanDerWaalsContact O-CD2 3.32Å; G21-F23 WeakPolarHBondContact O-CD2 3.44Å; G21-F23 WeakPolarHBondContact O-CE2 3.24Å; G21-F23 PolarHBondContact O-N 3.42Å; F23-L25 PolarHBondContact O-N 3.49Å; F23-A26 WeakPolarHBondContact O-CB 3.45Å; F23-A26 PolarHBondContact O-N 3.23Å; F23-I27 VanDerWaalsContact O-CG1 3.32Å; F23-I27 WeakPolarHBondContact O-CG1 3.36Å; F23-I27 PolarHBondContact O-N 3Å; F23-A60 HydrophobicContact CB-CB 4.23Å; F23-S63 VanDerWaalsContact CE2-CB 3.48Å; F23-S63 VanDerWaalsContact CZ-CB 3.44Å; F23-L64 HydrophobicContact CB-CD1 3.94Å; F23-L64 HydrophobicContact CB-CD2 3.93Å; F23-L64 HydrophobicContact CB-CG 3.64Å; F23-L64 HydrophobicContact CD2-CD2 3.98Å; F23-L64 HydrophobicContact CD2-CG 4.19Å; F23-L64 HydrophobicContact CG-CD2 4.46Å; F23-L64 HydrophobicContact CG-CG 4.33Å |
| 24 | S | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 52.3 Ų | 52.3 | 46% | 0.455 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 178.4 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | N22 R28 | N22-S24 VanDerWaalsContact C-N 3.32Å; N22-S24 PolarHBondContact O-N 3.44Å; S24-R28 PolarHBondContact O-N 3.42Å |
| 25 | L | 98.4 | Very high | 97.9 | Very high | 48 Ų | 48 | 58 Ų | 58 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | 174.5 | 178.2 | 62.3 | 0 | 0 | 0 | 111.4 | V17 N22 F23 I27 R28 K29 | V17-L25 HydrophobicContact CG1-CB 3.65Å; V17-L25 HydrophobicContact CG1-CD2 3.8Å; V17-L25 HydrophobicContact CG1-CG 3.72Å; V17-L25 HydrophobicContact CG2-CD2 4Å; V17-L25 HydrophobicContact CG2-CG 4.37Å; N22-L25 PolarHBondContact O-N 3.03Å; N22-L25 VanDerWaalsContact OD1-CB 3.31Å; N22-L25 WeakPolarHBondContact OD1-CB 3.36Å; N22-L25 PolarHBondContact OD1-N 2.9Å; F23-L25 PolarHBondContact O-N 3.49Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.08Å; L25-R28 PolarHBondContact O-N 3.1Å; L25-K29 HydrophobicContact CD1-CG 4.49Å; L25-K29 WeakPolarHBondContact O-CG 3.36Å; L25-K29 PolarHBondContact O-N 2.61Å; L25-K29 VanDerWaalsContact O-N 3.07Å |
| 26 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V17 L18 N22 F23 R28 K29 Y30 | V17-A26 HydrophobicContact CB-CB 4.43Å; V17-A26 HydrophobicContact CG1-CB 4.12Å; L18-A26 HydrophobicContact CB-CB 3.83Å; N22-A26 PolarHBondContact O-N 3.38Å; F23-A26 WeakPolarHBondContact O-CB 3.45Å; F23-A26 PolarHBondContact O-N 3.23Å; A26-R28 PolarHBondContact O-N 3.32Å; A26-K29 PolarHBondContact O-N 3.12Å; A26-K29 VanDerWaalsContact O-N 3.14Å; A26-Y30 HydrophobicContact CB-CE2 3.92Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 VanDerWaalsContact O-CG 3.3Å; A26-Y30 PolarHBondContact O-N 3.26Å |
| 27 | I | 98.8 | Very high | 97.3 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.077 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.8 | -49.2 | 175.8 | -70.5 | 160.1 | 0 | 0 | 0 | 111 | F23 L25 K29 Y30 D31 K57 A60 F61 L64 | F23-I27 VanDerWaalsContact O-CG1 3.32Å; F23-I27 WeakPolarHBondContact O-CG1 3.36Å; F23-I27 PolarHBondContact O-N 3Å; L25-I27 VanDerWaalsContact C-N 3.34Å; L25-I27 PolarHBondContact O-N 3.08Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.48Å; I27-Y30 PolarHBondContact O-N 3.06Å; I27-D31 WeakPolarHBondContact CG2-OD2 3.38Å; I27-D31 PolarHBondContact O-N 3.32Å; I27-K57 HydrophobicContact CG1-CG 4.32Å; I27-K57 HydrophobicContact CG2-CG 4.27Å; I27-A60 HydrophobicContact CD1-CB 3.97Å; I27-A60 HydrophobicContact CG1-CB 3.54Å; I27-F61 HydrophobicContact CD1-CD1 3.56Å; I27-F61 HydrophobicContact CD1-CE1 3.64Å; I27-F61 HydrophobicContact CD1-CG 4.09Å; I27-F61 HydrophobicContact CD1-CZ 4.26Å; I27-F61 HydrophobicContact CG1-CE1 4.45Å; I27-F61 HydrophobicContact CG2-CE1 4.36Å; I27-F61 HydrophobicContact CG2-CZ 4.07Å; I27-L64 HydrophobicContact CD1-CD1 3.69Å |
| 28 | R | 98.6 | Very high | 97.1 | Very high | 161 Ų | 161 | 56 Ų | 56 | 61% | 0.608 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -58.8 | -39.5 | 178.3 | -71 | -172.4 | -67.7 | -173.7 | -1 | 112.5 | S24 L25 A26 D31 E32 | S24-R28 PolarHBondContact O-N 3.42Å; L25-R28 PolarHBondContact O-N 3.1Å; A26-R28 PolarHBondContact O-N 3.32Å; R28-D31 PolarHBondContact O-N 2.9Å; R28-E32 PolarHBondContact O-N 3.36Å |
| 29 | K | 98.5 | Very high | 96.7 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 23% | 0.226 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 177.7 | -69.3 | -68.1 | 174.2 | -165.8 | 0 | 112.3 | L10 L25 A26 I27 E32 A33 | L10-K29 HydrophobicContact CD2-CD 3.67Å; L25-K29 HydrophobicContact CD1-CG 4.49Å; L25-K29 WeakPolarHBondContact O-CG 3.36Å; L25-K29 PolarHBondContact O-N 2.61Å; L25-K29 VanDerWaalsContact O-N 3.07Å; A26-K29 PolarHBondContact O-N 3.12Å; A26-K29 VanDerWaalsContact O-N 3.14Å; I27-K29 VanDerWaalsContact C-N 3.28Å; I27-K29 PolarHBondContact O-N 3.48Å; K29-E32 IonicContact NZ-OE2 2.74Å; K29-A33 PolarHBondContact O-N 3.43Å; K29-A33 VanDerWaalsContact O-N 3.12Å |
| 30 | Y | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 174 | -58 | -42 | 0 | 0 | 0 | 112 | G14 N15 L18 A26 I27 A33 I34 L53 N56 K57 | G14-Y30 PolarHBondContact O-OH 2.69Å; N15-Y30 WeakPolarHBondContact CA-OH 3.09Å; N15-Y30 PolarHBondContact N-OH 3.1Å; N15-Y30 PolarHBondContact OD1-OH 2.9Å; N15-Y30 VanDerWaalsContact OD1-OH 3.14Å; L18-Y30 HydrophobicContact CD1-CE2 4.01Å; A26-Y30 HydrophobicContact CB-CE2 3.92Å; A26-Y30 WeakPolarHBondContact O-CD2 3.42Å; A26-Y30 VanDerWaalsContact O-CG 3.3Å; A26-Y30 PolarHBondContact O-N 3.26Å; I27-Y30 PolarHBondContact O-N 3.06Å; Y30-A33 PolarHBondContact O-N 3.42Å; Y30-I34 WeakPolarHBondContact O-CB 3.41Å; Y30-I34 WeakPolarHBondContact O-CD1 3.45Å; Y30-I34 WeakPolarHBondContact O-CG1 3.19Å; Y30-I34 PolarHBondContact O-N 3.26Å; Y30-L53 HydrophobicContact CD1-CD2 3.6Å; Y30-L53 HydrophobicContact CE1-CD2 4.39Å; Y30-L53 HydrophobicContact CG-CD2 4.34Å; Y30-N56 HydrophobicContact CD2-CB 4.32Å; Y30-N56 HydrophobicContact CE1-CB 4.01Å; Y30-N56 HydrophobicContact CE2-CB 3.76Å; Y30-K57 HydrophobicContact CD2-CB 4.05Å |
| 31 | D | 98.5 | Very high | 95.4 | Very high | 59 Ų | 59 | 54.1 Ų | 54.1 | 32% | 0.316 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 176.9 | -77.4 | -29.9 | 0 | 0 | 0 | 112.4 | I27 R28 I34 Q35 K57 | I27-D31 WeakPolarHBondContact CG2-OD2 3.38Å; I27-D31 PolarHBondContact O-N 3.32Å; R28-D31 PolarHBondContact O-N 2.9Å; D31-I34 PolarHBondContact O-N 2.89Å; D31-Q35 WeakPolarHBondContact O-CB 3.5Å; D31-Q35 PolarHBondContact O-N 2.86Å; D31-K57 WeakPolarHBondContact OD1-CD 3.41Å; D31-K57 WeakPolarHBondContact OD1-CE 3.42Å; D31-K57 IonicContact OD1-NZ 2.62Å; D31-K57 PolarHBondContact OD1-NZ 3.17Å; D31-K57 IonicContact OD2-NZ 3Å |
| 32 | E | 97.8 | Very high | 94 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 30% | 0.304 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 175.4 | -165.9 | -176.3 | 169.3 | 0 | 0 | 111.1 | Y6 L10 R28 K29 Q35 I36 | Y6-E32 PolarHBondContact OH-OE1 3.47Å; L10-E32 HydrophobicContact CD1-CB 3.9Å; L10-E32 HydrophobicContact CD1-CG 3.56Å; L10-E32 HydrophobicContact CD2-CB 4.48Å; L10-E32 HydrophobicContact CD2-CG 4.35Å; L10-E32 VanDerWaalsContact CD2-OE2 3.26Å; L10-E32 WeakPolarHBondContact CD2-OE2 3.43Å; R28-E32 PolarHBondContact O-N 3.36Å; K29-E32 IonicContact NZ-OE2 2.74Å; E32-Q35 PolarHBondContact O-N 3Å; E32-I36 WeakPolarHBondContact O-CD1 3.36Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.19Å; E32-I36 VanDerWaalsContact O-N 3.16Å |
| 33 | A | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 K29 Y30 Q35 I36 L37 L53 | L10-A33 HydrophobicContact CB-CB 3.83Å; L10-A33 HydrophobicContact CD1-CB 4.43Å; K29-A33 PolarHBondContact O-N 3.43Å; K29-A33 VanDerWaalsContact O-N 3.12Å; Y30-A33 PolarHBondContact O-N 3.42Å; A33-Q35 VanDerWaalsContact C-N 3.33Å; A33-Q35 PolarHBondContact O-N 3.4Å; A33-I36 PolarHBondContact O-N 3.02Å; A33-L37 WeakPolarHBondContact O-CG 3.38Å; A33-L37 PolarHBondContact O-N 2.6Å; A33-L53 HydrophobicContact CB-CD1 3.74Å; A33-L53 HydrophobicContact CB-CD2 3.92Å |
| 34 | I | 96.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 9% | 0.087 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 177.2 | -73.1 | 162.6 | 0 | 0 | 0 | 110.1 | Y30 D31 I36 L37 L38 L50 L53 L54 K57 | Y30-I34 WeakPolarHBondContact O-CB 3.41Å; Y30-I34 WeakPolarHBondContact O-CD1 3.45Å; Y30-I34 WeakPolarHBondContact O-CG1 3.19Å; Y30-I34 PolarHBondContact O-N 3.26Å; D31-I34 PolarHBondContact O-N 2.89Å; I34-I36 VanDerWaalsContact C-N 3.32Å; I34-I36 PolarHBondContact O-N 3.11Å; I34-L37 PolarHBondContact O-N 3.42Å; I34-L38 HydrophobicContact CG2-CD1 3.73Å; I34-L38 HydrophobicContact CG2-CG 4.16Å; I34-L38 WeakPolarHBondContact O-CB 3.15Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.42Å; I34-L38 PolarHBondContact O-N 3.31Å; I34-L50 HydrophobicContact CB-CD2 4.2Å; I34-L50 HydrophobicContact CG1-CD2 4.17Å; I34-L50 HydrophobicContact CG2-CD2 3.88Å; I34-L53 HydrophobicContact CD1-CB 4.03Å; I34-L53 HydrophobicContact CG1-CB 3.73Å; I34-L53 HydrophobicContact CG1-CD1 3.99Å; I34-L53 HydrophobicContact CG1-CG 4.46Å; I34-L54 HydrophobicContact CD1-CD2 3.81Å; I34-L54 HydrophobicContact CD1-CG 4.04Å; I34-K57 HydrophobicContact CD1-CD 4.37Å |
| 35 | Q | 94.9 | Very high | 88.7 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.9 | -43.1 | -180 | -174.9 | 176.1 | 7.3 | 0 | 0 | 111.8 | D31 E32 A33 L38 Q39 | D31-Q35 WeakPolarHBondContact O-CB 3.5Å; D31-Q35 PolarHBondContact O-N 2.86Å; E32-Q35 PolarHBondContact O-N 3Å; A33-Q35 VanDerWaalsContact C-N 3.33Å; A33-Q35 PolarHBondContact O-N 3.4Å; Q35-L38 PolarHBondContact O-N 3.14Å; Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.46Å |
| 36 | I | 93.2 | Very high | 87.1 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 7% | 0.072 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 176.4 | -66.8 | 157.9 | 0 | 0 | 0 | 110.5 | L3 Y6 A7 L10 E32 A33 I34 L38 Q39 L40 | L3-I36 HydrophobicContact CB-CG2 3.94Å; L3-I36 HydrophobicContact CD2-CG2 4.44Å; L3-I36 WeakPolarHBondContact O-CG2 3.43Å; Y6-I36 HydrophobicContact CD1-CD1 3.45Å; Y6-I36 VanDerWaalsContact CD1-CD1 3.45Å; Y6-I36 HydrophobicContact CE1-CD1 3.74Å; A7-I36 HydrophobicContact CB-CB 4.28Å; A7-I36 HydrophobicContact CB-CG2 4.02Å; L10-I36 HydrophobicContact CD1-CD1 3.55Å; E32-I36 WeakPolarHBondContact O-CD1 3.36Å; E32-I36 WeakPolarHBondContact O-CG1 3.47Å; E32-I36 PolarHBondContact O-N 3.19Å; E32-I36 VanDerWaalsContact O-N 3.16Å; A33-I36 PolarHBondContact O-N 3.02Å; I34-I36 VanDerWaalsContact C-N 3.32Å; I34-I36 PolarHBondContact O-N 3.11Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.37Å; I36-Q39 WeakPolarHBondContact O-CB 3.5Å; I36-Q39 PolarHBondContact O-N 3.08Å; I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 3.2Å |
| 37 | L | 91.9 | Very high | 86.1 | Confident | 15 Ų | 15 | 72.3 Ų | 72.3 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.7 | -38.2 | -179.6 | -69.1 | -177.8 | 0 | 0 | 0 | 112.3 | A7 A33 I34 L40 Y41 D49 L50 L53 | A7-L37 HydrophobicContact CB-CD2 3.92Å; A7-L37 HydrophobicContact CB-CG 4.05Å; A33-L37 WeakPolarHBondContact O-CG 3.38Å; A33-L37 PolarHBondContact O-N 2.6Å; I34-L37 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 2.83Å; L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.41Å; L37-Y41 PolarHBondContact O-N 3.49Å; L37-D49 HydrophobicContact CD1-CB 3.85Å; L37-L50 HydrophobicContact CB-CD2 3.79Å; L37-L50 HydrophobicContact CB-CG 4.02Å; L37-L50 HydrophobicContact CD1-CD2 4.19Å; L37-L50 HydrophobicContact CD1-CG 4.15Å; L37-L53 HydrophobicContact CD1-CD1 3.6Å |
| 38 | L | 92 | Very high | 85.8 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 41% | 0.414 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.3 | -38 | 175.2 | -71.5 | 175.1 | 0 | 0 | 0 | 112.4 | I34 Q35 I36 L40 Y41 L50 W80 | I34-L38 HydrophobicContact CG2-CD1 3.73Å; I34-L38 HydrophobicContact CG2-CG 4.16Å; I34-L38 WeakPolarHBondContact O-CB 3.15Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.42Å; I34-L38 PolarHBondContact O-N 3.31Å; Q35-L38 PolarHBondContact O-N 3.14Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.37Å; L38-L40 VanDerWaalsContact C-N 3.3Å; L38-L40 PolarHBondContact O-N 3.38Å; L38-Y41 PolarHBondContact O-N 3.3Å; L38-L50 HydrophobicContact CD2-CD1 3.86Å; L38-L50 HydrophobicContact CD2-CD2 4.29Å; L38-L50 HydrophobicContact CG-CD2 4.2Å; L38-W80 HydrophobicContact CD2-CH2 3.65Å; L38-W80 HydrophobicContact CD2-CZ2 3.44Å; L38-W80 VanDerWaalsContact CD2-CZ2 3.44Å |
| 39 | Q | 89.8 | Confident | 85.5 | Confident | 105 Ų | 105 | 73.7 Ų | 73.7 | 49% | 0.491 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -35.3 | 175.4 | -75 | 175.3 | -7 | 0 | 0 | 112.4 | Q35 I36 Q42 | Q35-Q39 WeakPolarHBondContact O-CG 3.46Å; Q35-Q39 PolarHBondContact O-N 3.46Å; I36-Q39 WeakPolarHBondContact O-CB 3.5Å; I36-Q39 PolarHBondContact O-N 3.08Å; Q39-Q42 WeakPolarHBondContact O-CG 3.49Å; Q39-Q42 PolarHBondContact O-NE2 3.45Å |
| 40 | L | 86.6 | Confident | 85.3 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 39% | 0.387 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -75.3 | -27 | 175.8 | -65 | 174.2 | 0 | 0 | 0 | 112.1 | L3 T4 I36 L37 L38 Q42 | L3-L40 HydrophobicContact CB-CD1 3.98Å; L3-L40 HydrophobicContact CB-CD2 4.2Å; L3-L40 HydrophobicContact CB-CG 4.48Å; L3-L40 HydrophobicContact CD1-CD2 3.98Å; T4-L40 HydrophobicContact CG2-CD1 3.76Å; I36-L40 HydrophobicContact CG2-CD1 4.04Å; I36-L40 WeakPolarHBondContact O-CG 3.49Å; I36-L40 PolarHBondContact O-N 3.2Å; L37-L40 PolarHBondContact O-N 2.83Å; L38-L40 VanDerWaalsContact C-N 3.3Å; L38-L40 PolarHBondContact O-N 3.38Å; L40-Q42 PolarHBondContact O-N 2.92Å |
| 41 | Y | 81.4 | Confident | 85.2 | Confident | 78 Ų | 78 | 71.2 Ų | 71.2 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 36.5 | -178.4 | -172.8 | -110.4 | 0 | 0 | 0 | 114.2 | L37 L38 G44 P46 W80 | L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.41Å; L37-Y41 PolarHBondContact O-N 3.49Å; L38-Y41 PolarHBondContact O-N 3.3Å; Y41-G44 VanDerWaalsContact CE2-O 3.32Å; Y41-G44 WeakPolarHBondContact CE2-O 3.38Å; Y41-P46 HydrophobicContact CE2-CB 4.22Å; Y41-P46 HydrophobicContact CE2-CG 4.27Å; Y41-P46 WeakPolarHBondContact OH-CG 3.4Å; Y41-W80 AromaticContact CD1-CH2 3.72Å; Y41-W80 HydrophobicContact CD1-CH2 3.72Å; Y41-W80 AromaticContact CD1-CZ3 3.84Å; Y41-W80 HydrophobicContact CD1-CZ3 3.84Å; Y41-W80 AromaticContact CE1-CH2 3.81Å; Y41-W80 HydrophobicContact CE1-CH2 3.81Å; Y41-W80 AromaticContact CE1-CZ3 3.68Å; Y41-W80 HydrophobicContact CE1-CZ3 3.68Å; Y41-W80 HydrophobicContact CG-CZ3 4.43Å |
| 42 | Q | 68.4 | Low | 85.1 | Confident | 146 Ų | 146 | 69.7 Ų | 69.7 | 68% | 0.682 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -28.4 | 177.4 | -72.5 | -179.4 | 26 | 0 | 0 | 112.7 | Q39 L40 | Q39-Q42 WeakPolarHBondContact O-CG 3.49Å; Q39-Q42 PolarHBondContact O-NE2 3.45Å; L40-Q42 PolarHBondContact O-N 2.92Å |
| 43 | W | 57.1 | Low | 85.2 | Confident | 242 Ų | 242 | 66.6 Ų | 66.6 | 92% | 0.917 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -153.5 | 106.1 | 179.2 | -61.7 | 87.5 | 0 | 0 | 0 | 110.1 | ||
| 44 | G | 65.3 | Low | 85.2 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 58% | 0.577 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 164.1 | -170 | 177 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y41 | Y41-G44 VanDerWaalsContact CE2-O 3.32Å; Y41-G44 WeakPolarHBondContact CE2-O 3.38Å |
| 45 | V | 61.6 | Low | 85.4 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 78% | 0.782 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -77.5 | 133.4 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | P47 | V45-P47 WeakPolarHBondContact O-CD 3.35Å; V45-P47 VanDerWaalsContact O-N 3.16Å |
| 46 | P | 65.3 | Low | 85.5 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 121 | 177.4 | -19.8 | 23.5 | 0 | 0 | 0 | 110.7 | Y41 R48 W80 | Y41-P46 HydrophobicContact CE2-CB 4.22Å; Y41-P46 HydrophobicContact CE2-CG 4.27Å; Y41-P46 WeakPolarHBondContact OH-CG 3.4Å; P46-R48 PolarHBondContact O-N 3.4Å; P46-W80 HydrophobicContact CB-CE3 3.85Å; P46-W80 HydrophobicContact CB-CZ3 4.03Å |
| 47 | P | 78 | Confident | 85.8 | Confident | 36 Ų | 36 | 62.8 Ų | 62.8 | 23% | 0.234 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -69 | 122 | -179 | 24.2 | -30.4 | 0 | 0 | 0 | 108.8 | V45 D49 L50 | V45-P47 WeakPolarHBondContact O-CD 3.35Å; V45-P47 VanDerWaalsContact O-N 3.16Å; P47-D49 PolarHBondContact O-N 2.94Å; P47-L50 HydrophobicContact CG-CD1 3.71Å; P47-L50 HydrophobicContact CG-CG 3.94Å; P47-L50 WeakPolarHBondContact O-CB 3.48Å; P47-L50 PolarHBondContact O-N 3.01Å |
| 48 | R | 90.6 | Very high | 86.1 | Confident | 148 Ų | 148 | 62 Ų | 62 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.2 | -28.2 | 174.7 | -170.2 | 173.2 | -163.1 | -170.5 | -0.6 | 112.3 | P46 L50 A51 V52 D81 | P46-R48 PolarHBondContact O-N 3.4Å; R48-L50 PolarHBondContact O-N 2.98Å; R48-A51 WeakPolarHBondContact O-CB 3.37Å; R48-A51 PolarHBondContact O-N 3.04Å; R48-A51 VanDerWaalsContact O-N 3.07Å; R48-V52 PolarHBondContact O-N 3.5Å; R48-V52 VanDerWaalsContact O-N 3.1Å; R48-D81 IonicContact CZ-OD2 3.83Å; R48-D81 IonicContact NE-OD2 3.02Å; R48-D81 PolarHBondContact NE-OD2 3.41Å; R48-D81 IonicContact NH2-OD2 3.85Å |
| 49 | D | 92.4 | Very high | 86.4 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.9 | -29.8 | 175.3 | -68.9 | -55.8 | 0 | 0 | 0 | 113.7 | K11 L37 P47 V52 L53 | K11-D49 IonicContact NZ-OD1 3.64Å; K11-D49 PolarHBondContact NZ-OD1 3.02Å; L37-D49 HydrophobicContact CD1-CB 3.85Å; P47-D49 PolarHBondContact O-N 2.94Å; D49-V52 PolarHBondContact O-N 3.48Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 VanDerWaalsContact O-CG 3.26Å; D49-L53 WeakPolarHBondContact O-CG 3.37Å; D49-L53 PolarHBondContact O-N 3.2Å |
| 50 | L | 94.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 172.4 | -80.4 | 171.4 | 0 | 0 | 0 | 111.2 | I34 L37 L38 P47 R48 V52 L53 L54 W80 | I34-L50 HydrophobicContact CB-CD2 4.2Å; I34-L50 HydrophobicContact CG1-CD2 4.17Å; I34-L50 HydrophobicContact CG2-CD2 3.88Å; L37-L50 HydrophobicContact CB-CD2 3.79Å; L37-L50 HydrophobicContact CB-CG 4.02Å; L37-L50 HydrophobicContact CD1-CD2 4.19Å; L37-L50 HydrophobicContact CD1-CG 4.15Å; L38-L50 HydrophobicContact CD2-CD1 3.86Å; L38-L50 HydrophobicContact CD2-CD2 4.29Å; L38-L50 HydrophobicContact CG-CD2 4.2Å; P47-L50 HydrophobicContact CG-CD1 3.71Å; P47-L50 HydrophobicContact CG-CG 3.94Å; P47-L50 WeakPolarHBondContact O-CB 3.48Å; P47-L50 PolarHBondContact O-N 3.01Å; R48-L50 PolarHBondContact O-N 2.98Å; L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 2.96Å; L50-L53 PolarHBondContact O-N 3.16Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CD1 3.31Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.17Å; L50-W80 HydrophobicContact CB-CD2 4.1Å; L50-W80 HydrophobicContact CB-CE3 4.32Å; L50-W80 HydrophobicContact CB-CG 4.18Å; L50-W80 HydrophobicContact CD1-CD2 3.89Å; L50-W80 HydrophobicContact CD1-CE3 3.63Å; L50-W80 HydrophobicContact CD1-CH2 3.66Å; L50-W80 HydrophobicContact CD1-CZ2 3.92Å; L50-W80 HydrophobicContact CD1-CZ3 3.51Å |
| 51 | A | 96.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R48 C55 C77 W80 D81 | R48-A51 WeakPolarHBondContact O-CB 3.37Å; R48-A51 PolarHBondContact O-N 3.04Å; R48-A51 VanDerWaalsContact O-N 3.07Å; A51-C55 WeakPolarHBondContact O-CB 3.43Å; A51-C55 PolarHBondContact O-N 3.25Å; A51-C77 WeakPolarHBondContact CB-O 3.44Å; A51-C77 PolarHBondContact O-SG 3.32Å; A51-W80 HydrophobicContact CB-CB 4.06Å; A51-D81 HydrophobicContact CB-CB 3.5Å; A51-D81 VanDerWaalsContact CB-CB 3.5Å |
| 52 | V | 97.5 | Very high | 88.3 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 16% | 0.164 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -49.7 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 111.1 | K11 R48 D49 L50 C55 N56 Y84 | K11-V52 HydrophobicContact CD-CG1 4.43Å; R48-V52 PolarHBondContact O-N 3.5Å; R48-V52 VanDerWaalsContact O-N 3.1Å; D49-V52 PolarHBondContact O-N 3.48Å; L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 2.96Å; V52-C55 PolarHBondContact O-N 3.4Å; V52-N56 PolarHBondContact O-N 2.72Å; V52-Y84 HydrophobicContact CG2-CE2 3.81Å |
| 53 | L | 98.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 179.6 | -74.4 | 165.5 | 0 | 0 | 0 | 111.7 | K11 Y30 A33 I34 L37 D49 L50 C55 N56 K57 | K11-L53 HydrophobicContact CB-CD2 3.81Å; K11-L53 HydrophobicContact CD-CD2 4.23Å; K11-L53 HydrophobicContact CD-CG 4.47Å; K11-L53 HydrophobicContact CG-CD2 3.71Å; K11-L53 HydrophobicContact CG-CG 4.47Å; Y30-L53 HydrophobicContact CD1-CD2 3.6Å; Y30-L53 HydrophobicContact CE1-CD2 4.39Å; Y30-L53 HydrophobicContact CG-CD2 4.34Å; A33-L53 HydrophobicContact CB-CD1 3.74Å; A33-L53 HydrophobicContact CB-CD2 3.92Å; I34-L53 HydrophobicContact CD1-CB 4.03Å; I34-L53 HydrophobicContact CG1-CB 3.73Å; I34-L53 HydrophobicContact CG1-CD1 3.99Å; I34-L53 HydrophobicContact CG1-CG 4.46Å; L37-L53 HydrophobicContact CD1-CD1 3.6Å; D49-L53 WeakPolarHBondContact O-CB 3.32Å; D49-L53 VanDerWaalsContact O-CG 3.26Å; D49-L53 WeakPolarHBondContact O-CG 3.37Å; D49-L53 PolarHBondContact O-N 3.2Å; L50-L53 PolarHBondContact O-N 3.16Å; L53-C55 VanDerWaalsContact C-N 3.34Å; L53-C55 PolarHBondContact O-N 2.92Å; L53-N56 PolarHBondContact O-N 3.24Å; L53-K57 WeakPolarHBondContact O-CB 3.48Å; L53-K57 PolarHBondContact O-N 3.47Å |
| 54 | L | 98.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.5 | -73.8 | 165.3 | 0 | 0 | 0 | 112.1 | I34 L50 K57 S58 E76 C77 W80 | I34-L54 HydrophobicContact CD1-CD2 3.81Å; I34-L54 HydrophobicContact CD1-CG 4.04Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CD1 3.31Å; L50-L54 VanDerWaalsContact O-CG 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.46Å; L50-L54 PolarHBondContact O-N 3.17Å; L54-K57 PolarHBondContact O-N 3.23Å; L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3.2Å; L54-E76 HydrophobicContact CD1-CB 3.98Å; L54-E76 HydrophobicContact CD2-CB 4.16Å; L54-E76 WeakPolarHBondContact CD2-OE2 3.37Å; L54-C77 HydrophobicContact CB-CB 3.69Å; L54-W80 HydrophobicContact CD1-CG 4.18Å |
| 55 | C | 98.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.4 | -38.7 | 173.7 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | A51 V52 L53 S58 N59 C77 Y84 | A51-C55 WeakPolarHBondContact O-CB 3.43Å; A51-C55 PolarHBondContact O-N 3.25Å; V52-C55 PolarHBondContact O-N 3.4Å; L53-C55 VanDerWaalsContact C-N 3.34Å; L53-C55 PolarHBondContact O-N 2.92Å; C55-S58 WeakPolarHBondContact O-CB 3.32Å; C55-S58 PolarHBondContact O-N 2.94Å; C55-N59 PolarHBondContact O-N 3.1Å; C55-N59 VanDerWaalsContact O-N 3.1Å; C55-C77 HydrophobicContact CB-CB 4.41Å; C55-Y84 HydrophobicContact CB-CD1 4.05Å; C55-Y84 HydrophobicContact CB-CE1 3.45Å; C55-Y84 VanDerWaalsContact CB-CE1 3.45Å |
| 56 | N | 98.6 | Very high | 95 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.3 | -38.5 | 177.1 | -71.4 | -8.6 | 0 | 0 | 0 | 111.4 | N15 Y30 V52 L53 N59 A60 | N15-N56 PolarHBondContact OD1-ND2 3.05Å; Y30-N56 HydrophobicContact CD2-CB 4.32Å; Y30-N56 HydrophobicContact CE1-CB 4.01Å; Y30-N56 HydrophobicContact CE2-CB 3.76Å; V52-N56 PolarHBondContact O-N 2.72Å; L53-N56 PolarHBondContact O-N 3.24Å; N56-N59 WeakPolarHBondContact O-CB 3.35Å; N56-N59 PolarHBondContact O-N 2.99Å; N56-A60 PolarHBondContact O-N 3.16Å |
| 57 | K | 98.7 | Very high | 96.6 | Very high | 32 Ų | 32 | 34.9 Ų | 34.9 | 14% | 0.139 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 171.6 | -170.2 | -176.1 | 179 | -169.3 | 0 | 111.5 | I27 Y30 D31 I34 L53 L54 N59 A60 F61 | I27-K57 HydrophobicContact CG1-CG 4.32Å; I27-K57 HydrophobicContact CG2-CG 4.27Å; Y30-K57 HydrophobicContact CD2-CB 4.05Å; D31-K57 WeakPolarHBondContact OD1-CD 3.41Å; D31-K57 WeakPolarHBondContact OD1-CE 3.42Å; D31-K57 IonicContact OD1-NZ 2.62Å; D31-K57 PolarHBondContact OD1-NZ 3.17Å; D31-K57 IonicContact OD2-NZ 3Å; I34-K57 HydrophobicContact CD1-CD 4.37Å; L53-K57 WeakPolarHBondContact O-CB 3.48Å; L53-K57 PolarHBondContact O-N 3.47Å; L54-K57 PolarHBondContact O-N 3.23Å; K57-N59 VanDerWaalsContact C-N 3.35Å; K57-N59 PolarHBondContact O-N 3.08Å; K57-A60 WeakPolarHBondContact O-CB 3.35Å; K57-A60 PolarHBondContact O-N 3.47Å; K57-A60 VanDerWaalsContact O-N 3.16Å; K57-F61 HydrophobicContact CD-CE2 4.08Å; K57-F61 VanDerWaalsContact CE-CE2 3.49Å; K57-F61 HydrophobicContact CG-CD2 4.09Å; K57-F61 HydrophobicContact CG-CE2 3.79Å; K57-F61 WeakPolarHBondContact O-CD2 3.41Å; K57-F61 PolarHBondContact O-N 3.06Å |
| 58 | S | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 112.1 | L54 C55 A60 F61 F62 A70 | L54-S58 WeakPolarHBondContact O-CB 3.49Å; L54-S58 PolarHBondContact O-N 3.2Å; C55-S58 WeakPolarHBondContact O-CB 3.32Å; C55-S58 PolarHBondContact O-N 2.94Å; S58-A60 VanDerWaalsContact C-N 3.32Å; S58-A60 PolarHBondContact O-N 3.4Å; S58-F61 PolarHBondContact O-N 3.09Å; S58-F62 WeakPolarHBondContact O-CB 3.33Å; S58-F62 PolarHBondContact O-N 3.33Å; S58-A70 WeakPolarHBondContact CB-O 3.47Å; S58-A70 WeakPolarHBondContact O-CB 3.4Å; S58-A70 PolarHBondContact OG-O 3.47Å |
| 59 | N | 98.8 | Very high | 98 | Very high | 27 Ų | 27 | 34 Ų | 34 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -40.6 | 175.8 | -176.1 | 37.6 | 0 | 0 | 0 | 112.7 | C55 N56 K57 F62 S63 R90 | C55-N59 PolarHBondContact O-N 3.1Å; C55-N59 VanDerWaalsContact O-N 3.1Å; N56-N59 WeakPolarHBondContact O-CB 3.35Å; N56-N59 PolarHBondContact O-N 2.99Å; K57-N59 VanDerWaalsContact C-N 3.35Å; K57-N59 PolarHBondContact O-N 3.08Å; N59-F62 PolarHBondContact O-N 2.86Å; N59-S63 WeakPolarHBondContact O-CB 3.44Å; N59-S63 PolarHBondContact O-N 3.2Å; N59-S63 PolarHBondContact O-OG 3.38Å; N59-R90 VanDerWaalsContact CG-NH1 3.35Å; N59-R90 VanDerWaalsContact CG-NH2 3.3Å; N59-R90 PolarHBondContact ND2-NH2 3.42Å; N59-R90 VanDerWaalsContact OD1-CZ 3.27Å; N59-R90 PolarHBondContact OD1-NH1 3.16Å; N59-R90 PolarHBondContact OD1-NH2 2.78Å |
| 60 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L18 F23 I27 N56 K57 S58 S63 L64 | L18-A60 HydrophobicContact CD1-CB 3.95Å; F23-A60 HydrophobicContact CB-CB 4.23Å; I27-A60 HydrophobicContact CD1-CB 3.97Å; I27-A60 HydrophobicContact CG1-CB 3.54Å; N56-A60 PolarHBondContact O-N 3.16Å; K57-A60 WeakPolarHBondContact O-CB 3.35Å; K57-A60 PolarHBondContact O-N 3.47Å; K57-A60 VanDerWaalsContact O-N 3.16Å; S58-A60 VanDerWaalsContact C-N 3.32Å; S58-A60 PolarHBondContact O-N 3.4Å; A60-S63 PolarHBondContact O-N 2.92Å; A60-L64 PolarHBondContact O-N 3.18Å |
| 61 | F | 98.9 | Very high | 98.5 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -44 | 174.1 | -79 | -53.2 | 0 | 0 | 0 | 112.4 | I27 K57 S58 S63 L64 G65 K66 E69 A70 A73 | I27-F61 HydrophobicContact CD1-CD1 3.56Å; I27-F61 HydrophobicContact CD1-CE1 3.64Å; I27-F61 HydrophobicContact CD1-CG 4.09Å; I27-F61 HydrophobicContact CD1-CZ 4.26Å; I27-F61 HydrophobicContact CG1-CE1 4.45Å; I27-F61 HydrophobicContact CG2-CE1 4.36Å; I27-F61 HydrophobicContact CG2-CZ 4.07Å; K57-F61 HydrophobicContact CD-CE2 4.08Å; K57-F61 VanDerWaalsContact CE-CE2 3.49Å; K57-F61 HydrophobicContact CG-CD2 4.09Å; K57-F61 HydrophobicContact CG-CE2 3.79Å; K57-F61 WeakPolarHBondContact O-CD2 3.41Å; K57-F61 PolarHBondContact O-N 3.06Å; S58-F61 PolarHBondContact O-N 3.09Å; F61-S63 VanDerWaalsContact C-N 3.26Å; F61-S63 PolarHBondContact O-N 2.87Å; F61-L64 WeakPolarHBondContact O-CB 3.5Å; F61-L64 PolarHBondContact O-N 3.31Å; F61-G65 PolarHBondContact O-N 3Å; F61-K66 HydrophobicContact CB-CB 4.19Å; F61-K66 HydrophobicContact CD1-CB 4.04Å; F61-K66 HydrophobicContact CD1-CD 3.87Å; F61-K66 HydrophobicContact CE1-CD 4.26Å; F61-K66 PolarHBondContact O-N 3.49Å; F61-E69 HydrophobicContact CB-CB 4.25Å; F61-E69 HydrophobicContact CD1-CB 3.76Å; F61-E69 HydrophobicContact CD2-CB 3.79Å; F61-E69 HydrophobicContact CE1-CB 3.94Å; F61-E69 HydrophobicContact CE1-CG 4.41Å; F61-E69 HydrophobicContact CE2-CB 3.92Å; F61-E69 HydrophobicContact CG-CB 3.7Å; F61-E69 HydrophobicContact CZ-CB 4.02Å; F61-A70 HydrophobicContact CB-CB 3.8Å; F61-A73 HydrophobicContact CD2-CB 4.32Å |
| 62 | F | 98.8 | Very high | 98.6 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 20% | 0.197 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 176.4 | -170.8 | -87.1 | 0 | 0 | 0 | 110.6 | S58 N59 L64 G65 W67 A70 R97 | S58-F62 WeakPolarHBondContact O-CB 3.33Å; S58-F62 PolarHBondContact O-N 3.33Å; N59-F62 PolarHBondContact O-N 2.86Å; F62-L64 PolarHBondContact O-N 3.43Å; F62-G65 PolarHBondContact O-N 3.02Å; F62-W67 HydrophobicContact CB-CZ3 4.37Å; F62-W67 HydrophobicContact CD1-CE3 4.42Å; F62-W67 AromaticContact CD1-CZ3 3.64Å; F62-W67 HydrophobicContact CD1-CZ3 3.64Å; F62-W67 AromaticContact CD2-CE3 3.41Å; F62-W67 HydrophobicContact CD2-CE3 3.41Å; F62-W67 VanDerWaalsContact CD2-CE3 3.41Å; F62-W67 AromaticContact CD2-CZ3 3.47Å; F62-W67 HydrophobicContact CD2-CZ3 3.47Å; F62-W67 VanDerWaalsContact CD2-CZ3 3.47Å; F62-W67 HydrophobicContact CE1-CE3 4.48Å; F62-W67 HydrophobicContact CE1-CH2 4.4Å; F62-W67 AromaticContact CE1-CZ3 3.61Å; F62-W67 HydrophobicContact CE1-CZ3 3.61Å; F62-W67 AromaticContact CE2-CE3 3.47Å; F62-W67 HydrophobicContact CE2-CE3 3.47Å; F62-W67 VanDerWaalsContact CE2-CE3 3.47Å; F62-W67 AromaticContact CE2-CZ3 3.43Å; F62-W67 HydrophobicContact CE2-CZ3 3.43Å; F62-W67 VanDerWaalsContact CE2-CZ3 3.43Å; F62-W67 AromaticContact CG-CE3 3.91Å; F62-W67 HydrophobicContact CG-CE3 3.91Å; F62-W67 AromaticContact CG-CZ3 3.56Å; F62-W67 HydrophobicContact CG-CZ3 3.56Å; F62-W67 HydrophobicContact CZ-CE3 4.04Å; F62-W67 HydrophobicContact CZ-CH2 4.43Å; F62-W67 AromaticContact CZ-CZ3 3.5Å; F62-W67 HydrophobicContact CZ-CZ3 3.5Å; F62-W67 VanDerWaalsContact O-CH2 3.3Å; F62-W67 WeakPolarHBondContact O-CH2 3.48Å; F62-W67 WeakPolarHBondContact O-CZ3 3.37Å; F62-A70 HydrophobicContact CB-CB 3.91Å; F62-A70 HydrophobicContact CD2-CB 4.45Å; F62-R97 HydrophobicContact CE2-CG 3.68Å; F62-R97 HydrophobicContact CZ-CG 3.84Å |
| 63 | S | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 35.2 Ų | 35.2 | 36% | 0.357 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.2 | -21.2 | 178.8 | -53.6 | 0 | 0 | 0 | 0 | 113.7 | F23 N59 A60 F61 | F23-S63 VanDerWaalsContact CE2-CB 3.48Å; F23-S63 VanDerWaalsContact CZ-CB 3.44Å; N59-S63 WeakPolarHBondContact O-CB 3.44Å; N59-S63 PolarHBondContact O-N 3.2Å; N59-S63 PolarHBondContact O-OG 3.38Å; A60-S63 PolarHBondContact O-N 2.92Å; F61-S63 VanDerWaalsContact C-N 3.26Å; F61-S63 PolarHBondContact O-N 2.87Å |
| 64 | L | 98.6 | Very high | 98.7 | Very high | 67 Ų | 67 | 35.1 Ų | 35.1 | 35% | 0.351 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.6 | 172.7 | -70.6 | 172 | 0 | 0 | 0 | 113.7 | F23 I27 A60 F61 F62 K66 | F23-L64 HydrophobicContact CB-CD1 3.94Å; F23-L64 HydrophobicContact CB-CD2 3.93Å; F23-L64 HydrophobicContact CB-CG 3.64Å; F23-L64 HydrophobicContact CD2-CD2 3.98Å; F23-L64 HydrophobicContact CD2-CG 4.19Å; F23-L64 HydrophobicContact CG-CD2 4.46Å; F23-L64 HydrophobicContact CG-CG 4.33Å; I27-L64 HydrophobicContact CD1-CD1 3.69Å; A60-L64 PolarHBondContact O-N 3.18Å; F61-L64 WeakPolarHBondContact O-CB 3.5Å; F61-L64 PolarHBondContact O-N 3.31Å; F62-L64 PolarHBondContact O-N 3.43Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 HydrophobicContact CB-CD 4.39Å; L64-K66 HydrophobicContact CB-CG 4.17Å; L64-K66 PolarHBondContact O-N 3.1Å |
| 65 | G | 98.5 | Very high | 98.7 | Very high | 32 Ų | 32 | 40.4 Ų | 40.4 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 14.6 | -173 | 0 | 0 | 0 | 0 | 0 | 115.1 | F61 F62 W67 | F61-G65 PolarHBondContact O-N 3Å; F62-G65 PolarHBondContact O-N 3.02Å; G65-W67 VanDerWaalsContact C-N 3.31Å; G65-W67 VanDerWaalsContact O-CD1 3.31Å; G65-W67 PolarHBondContact O-N 3.07Å; G65-W67 VanDerWaalsContact O-N 3.16Å; G65-W67 PolarHBondContact O-NE1 2.96Å; G65-W67 VanDerWaalsContact O-NE1 3.16Å |
| 66 | K | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 40% | 0.404 | 22% | 0.223 | S | C | . | . | trans | -89 | 68.3 | 177.4 | -67.8 | -174.3 | 172 | -163.8 | 0 | 110.1 | F61 L64 N68 E69 A70 | F61-K66 HydrophobicContact CB-CB 4.19Å; F61-K66 HydrophobicContact CD1-CB 4.04Å; F61-K66 HydrophobicContact CD1-CD 3.87Å; F61-K66 HydrophobicContact CE1-CD 4.26Å; F61-K66 PolarHBondContact O-N 3.49Å; L64-K66 VanDerWaalsContact C-N 3.25Å; L64-K66 HydrophobicContact CB-CD 4.39Å; L64-K66 HydrophobicContact CB-CG 4.17Å; L64-K66 PolarHBondContact O-N 3.1Å; K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.46Å; K66-E69 HydrophobicContact CB-CB 4.32Å; K66-E69 PolarHBondContact O-N 3.28Å; K66-A70 WeakPolarHBondContact O-CB 3.48Å; K66-A70 PolarHBondContact O-N 3.2Å | ||
| 67 | W | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 42.3 Ų | 42.3 | 20% | 0.197 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.6 | -36.2 | -168.3 | -42.6 | 115.6 | 0 | 0 | 0 | 113.2 | F62 G65 A70 F71 R97 L98 | F62-W67 HydrophobicContact CB-CZ3 4.37Å; F62-W67 HydrophobicContact CD1-CE3 4.42Å; F62-W67 AromaticContact CD1-CZ3 3.64Å; F62-W67 HydrophobicContact CD1-CZ3 3.64Å; F62-W67 AromaticContact CD2-CE3 3.41Å; F62-W67 HydrophobicContact CD2-CE3 3.41Å; F62-W67 VanDerWaalsContact CD2-CE3 3.41Å; F62-W67 AromaticContact CD2-CZ3 3.47Å; F62-W67 HydrophobicContact CD2-CZ3 3.47Å; F62-W67 VanDerWaalsContact CD2-CZ3 3.47Å; F62-W67 HydrophobicContact CE1-CE3 4.48Å; F62-W67 HydrophobicContact CE1-CH2 4.4Å; F62-W67 AromaticContact CE1-CZ3 3.61Å; F62-W67 HydrophobicContact CE1-CZ3 3.61Å; F62-W67 AromaticContact CE2-CE3 3.47Å; F62-W67 HydrophobicContact CE2-CE3 3.47Å; F62-W67 VanDerWaalsContact CE2-CE3 3.47Å; F62-W67 AromaticContact CE2-CZ3 3.43Å; F62-W67 HydrophobicContact CE2-CZ3 3.43Å; F62-W67 VanDerWaalsContact CE2-CZ3 3.43Å; F62-W67 AromaticContact CG-CE3 3.91Å; F62-W67 HydrophobicContact CG-CE3 3.91Å; F62-W67 AromaticContact CG-CZ3 3.56Å; F62-W67 HydrophobicContact CG-CZ3 3.56Å; F62-W67 HydrophobicContact CZ-CE3 4.04Å; F62-W67 HydrophobicContact CZ-CH2 4.43Å; F62-W67 AromaticContact CZ-CZ3 3.5Å; F62-W67 HydrophobicContact CZ-CZ3 3.5Å; F62-W67 VanDerWaalsContact O-CH2 3.3Å; F62-W67 WeakPolarHBondContact O-CH2 3.48Å; F62-W67 WeakPolarHBondContact O-CZ3 3.37Å; G65-W67 VanDerWaalsContact C-N 3.31Å; G65-W67 VanDerWaalsContact O-CD1 3.31Å; G65-W67 PolarHBondContact O-N 3.07Å; G65-W67 VanDerWaalsContact O-N 3.16Å; G65-W67 PolarHBondContact O-NE1 2.96Å; G65-W67 VanDerWaalsContact O-NE1 3.16Å; W67-A70 PolarHBondContact O-N 3.3Å; W67-F71 PolarHBondContact O-N 2.95Å; W67-R97 HydrophobicContact CB-CB 4.01Å; W67-R97 HydrophobicContact CD2-CB 3.45Å; W67-R97 VanDerWaalsContact CD2-CB 3.45Å; W67-R97 HydrophobicContact CD2-CG 3.85Å; W67-R97 HydrophobicContact CE3-CB 3.7Å; W67-R97 HydrophobicContact CE3-CG 3.65Å; W67-R97 HydrophobicContact CG-CB 3.56Å; W67-R97 HydrophobicContact CG-CG 4.48Å; W67-R97 HydrophobicContact CH2-CG 4.39Å; W67-R97 VanDerWaalsContact CH2-CZ 3.41Å; W67-R97 HydrophobicContact CZ3-CB 4.43Å; W67-R97 HydrophobicContact CZ3-CG 3.92Å; W67-L98 HydrophobicContact CB-CD1 4.47Å; W67-L98 HydrophobicContact CB-CD2 3.81Å; W67-L98 HydrophobicContact CB-CG 3.83Å |
| 68 | N | 98.8 | Very high | 98.6 | Very high | 90 Ų | 90 | 42 Ų | 42 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -68.1 | -46.9 | 178.8 | -173.8 | 62.4 | 0 | 0 | 0 | 111.3 | K66 A70 F71 V72 L98 | K66-N68 VanDerWaalsContact C-N 3.33Å; K66-N68 PolarHBondContact O-N 3.46Å; N68-A70 VanDerWaalsContact C-N 3.29Å; N68-A70 PolarHBondContact O-N 2.96Å; N68-F71 PolarHBondContact O-N 3.14Å; N68-V72 VanDerWaalsContact O-CG2 3.26Å; N68-V72 WeakPolarHBondContact O-CG2 3.44Å; N68-V72 PolarHBondContact O-N 3.26Å; N68-L98 HydrophobicContact CB-CD2 4.31Å |
| 69 | E | 98.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 48.3 Ų | 48.3 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 175.8 | -60.6 | 96.3 | 126.8 | 0 | 0 | 111.8 | F61 K66 V72 A73 | F61-E69 HydrophobicContact CB-CB 4.25Å; F61-E69 HydrophobicContact CD1-CB 3.76Å; F61-E69 HydrophobicContact CD2-CB 3.79Å; F61-E69 HydrophobicContact CE1-CB 3.94Å; F61-E69 HydrophobicContact CE1-CG 4.41Å; F61-E69 HydrophobicContact CE2-CB 3.92Å; F61-E69 HydrophobicContact CG-CB 3.7Å; F61-E69 HydrophobicContact CZ-CB 4.02Å; K66-E69 HydrophobicContact CB-CB 4.32Å; K66-E69 PolarHBondContact O-N 3.28Å; E69-V72 PolarHBondContact O-N 3.44Å; E69-A73 WeakPolarHBondContact O-CB 3.26Å; E69-A73 PolarHBondContact O-N 3.43Å |
| 70 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.1 | -46 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S58 F61 F62 K66 W67 N68 A74 S94 | S58-A70 WeakPolarHBondContact CB-O 3.47Å; S58-A70 WeakPolarHBondContact O-CB 3.4Å; S58-A70 PolarHBondContact OG-O 3.47Å; F61-A70 HydrophobicContact CB-CB 3.8Å; F62-A70 HydrophobicContact CB-CB 3.91Å; F62-A70 HydrophobicContact CD2-CB 4.45Å; K66-A70 WeakPolarHBondContact O-CB 3.48Å; K66-A70 PolarHBondContact O-N 3.2Å; W67-A70 PolarHBondContact O-N 3.3Å; N68-A70 VanDerWaalsContact C-N 3.29Å; N68-A70 PolarHBondContact O-N 2.96Å; A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 2.76Å; A70-S94 WeakPolarHBondContact CB-OG 3.35Å |
| 71 | F | 98.8 | Very high | 98 | Very high | 45 Ų | 45 | 51.4 Ų | 51.4 | 20% | 0.197 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 176.1 | 172.8 | -114.2 | 0 | 0 | 0 | 111.9 | W67 N68 A73 A74 K75 A91 L95 L98 | W67-F71 PolarHBondContact O-N 2.95Å; N68-F71 PolarHBondContact O-N 3.14Å; F71-A73 PolarHBondContact O-N 3.1Å; F71-A74 PolarHBondContact O-N 3.29Å; F71-K75 HydrophobicContact CZ-CD 4.43Å; F71-K75 WeakPolarHBondContact O-CB 3.43Å; F71-K75 PolarHBondContact O-N 3.23Å; F71-A91 HydrophobicContact CD2-CB 4.07Å; F71-A91 HydrophobicContact CE2-CB 4.18Å; F71-L95 HydrophobicContact CD1-CD2 4.47Å; F71-L95 HydrophobicContact CD2-CD1 3.99Å; F71-L95 HydrophobicContact CD2-CD2 3.98Å; F71-L95 HydrophobicContact CD2-CG 3.68Å; F71-L95 HydrophobicContact CE1-CD2 4.35Å; F71-L95 HydrophobicContact CE2-CD1 3.58Å; F71-L95 HydrophobicContact CE2-CD2 3.86Å; F71-L95 HydrophobicContact CE2-CG 3.73Å; F71-L95 HydrophobicContact CG-CD2 4.29Å; F71-L95 HydrophobicContact CG-CG 4.35Å; F71-L95 HydrophobicContact CZ-CD1 4.32Å; F71-L95 HydrophobicContact CZ-CD2 4.05Å; F71-L95 HydrophobicContact CZ-CG 4.41Å; F71-L98 HydrophobicContact CB-CD1 4.25Å |
| 72 | V | 98.8 | Very high | 97.8 | Very high | 60 Ų | 60 | 53.6 Ų | 53.6 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 178.6 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | N68 E69 A74 K75 E76 | N68-V72 VanDerWaalsContact O-CG2 3.26Å; N68-V72 WeakPolarHBondContact O-CG2 3.44Å; N68-V72 PolarHBondContact O-N 3.26Å; E69-V72 PolarHBondContact O-N 3.44Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 2.91Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 2.98Å; V72-K75 VanDerWaalsContact O-N 3.16Å; V72-E76 WeakPolarHBondContact O-CG 3.43Å; V72-E76 PolarHBondContact O-N 2.96Å |
| 73 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 55.4 Ų | 55.4 | 3% | 0.033 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F61 E69 F71 C77 | F61-A73 HydrophobicContact CD2-CB 4.32Å; E69-A73 WeakPolarHBondContact O-CB 3.26Å; E69-A73 PolarHBondContact O-N 3.43Å; F71-A73 PolarHBondContact O-N 3.1Å; A73-C77 WeakPolarHBondContact O-CB 3.42Å; A73-C77 PolarHBondContact O-N 2.85Å |
| 74 | A | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | A70 F71 V72 C77 L78 R90 A91 | A70-A74 WeakPolarHBondContact O-CB 3.39Å; A70-A74 PolarHBondContact O-N 2.76Å; F71-A74 PolarHBondContact O-N 3.29Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 2.91Å; A74-C77 WeakPolarHBondContact O-CB 3.35Å; A74-C77 PolarHBondContact O-N 3.4Å; A74-L78 WeakPolarHBondContact O-CG 2.97Å; A74-L78 PolarHBondContact O-N 3.4Å; A74-R90 HydrophobicContact CB-CB 3.84Å; A74-A91 HydrophobicContact CB-CB 3.91Å |
| 75 | K | 98.5 | Very high | 97.2 | Very high | 114 Ų | 114 | 52.5 Ų | 52.5 | 50% | 0.496 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 176.2 | -175.9 | -178.2 | 176 | -175.7 | 0 | 111.5 | F71 V72 C77 L78 Q79 | F71-K75 HydrophobicContact CZ-CD 4.43Å; F71-K75 WeakPolarHBondContact O-CB 3.43Å; F71-K75 PolarHBondContact O-N 3.23Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 2.98Å; V72-K75 VanDerWaalsContact O-N 3.16Å; K75-C77 VanDerWaalsContact C-N 3.33Å; K75-L78 PolarHBondContact O-N 3.21Å; K75-Q79 WeakPolarHBondContact O-CG 3.45Å; K75-Q79 PolarHBondContact O-N 3.21Å; K75-Q79 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 97.6 | Very high | 97.1 | Very high | 74 Ų | 74 | 57.2 Ų | 57.2 | 35% | 0.346 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 174 | -72.5 | 176.8 | -172.6 | 0 | 0 | 111 | L54 V72 L78 Q79 W80 | L54-E76 HydrophobicContact CD1-CB 3.98Å; L54-E76 HydrophobicContact CD2-CB 4.16Å; L54-E76 WeakPolarHBondContact CD2-OE2 3.37Å; V72-E76 WeakPolarHBondContact O-CG 3.43Å; V72-E76 PolarHBondContact O-N 2.96Å; E76-L78 VanDerWaalsContact C-N 3.25Å; E76-L78 PolarHBondContact O-N 2.66Å; E76-Q79 WeakPolarHBondContact O-CB 3.3Å; E76-Q79 PolarHBondContact O-N 2.96Å; E76-W80 VanDerWaalsContact O-CD1 3.23Å; E76-W80 PolarHBondContact O-N 2.92Å; E76-W80 VanDerWaalsContact O-N 3.16Å |
| 77 | C | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.4 | -46.6 | 173.2 | 161.5 | 0 | 0 | 0 | 0 | 112.1 | A51 L54 C55 A73 A74 K75 Q79 W80 D81 Y84 | A51-C77 WeakPolarHBondContact CB-O 3.44Å; A51-C77 PolarHBondContact O-SG 3.32Å; L54-C77 HydrophobicContact CB-CB 3.69Å; C55-C77 HydrophobicContact CB-CB 4.41Å; A73-C77 WeakPolarHBondContact O-CB 3.42Å; A73-C77 PolarHBondContact O-N 2.85Å; A74-C77 WeakPolarHBondContact O-CB 3.35Å; A74-C77 PolarHBondContact O-N 3.4Å; K75-C77 VanDerWaalsContact C-N 3.33Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 3Å; C77-W80 PolarHBondContact O-N 3.43Å; C77-D81 PolarHBondContact O-N 3.45Å; C77-Y84 WeakPolarHBondContact SG-CD1 3.34Å |
| 78 | L | 97.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -72.7 | -21.5 | 179.3 | -65.6 | 176.1 | 0 | 0 | 0 | 113.9 | A74 K75 E76 W80 D81 P82 Y88 | A74-L78 WeakPolarHBondContact O-CG 2.97Å; A74-L78 PolarHBondContact O-N 3.4Å; K75-L78 PolarHBondContact O-N 3.21Å; E76-L78 VanDerWaalsContact C-N 3.25Å; E76-L78 PolarHBondContact O-N 2.66Å; L78-W80 VanDerWaalsContact C-N 3.33Å; L78-D81 CarbonylContact O-C 3.57Å; L78-P82 WeakPolarHBondContact O-CA 3.32Å; L78-P82 WeakPolarHBondContact O-CD 3.37Å; L78-P82 WeakPolarHBondContact O-CG 3.26Å; L78-Y88 HydrophobicContact CD1-CD1 3.74Å; L78-Y88 HydrophobicContact CD1-CD2 4.24Å; L78-Y88 HydrophobicContact CD1-CE1 3.76Å; L78-Y88 HydrophobicContact CD1-CE2 4.26Å; L78-Y88 HydrophobicContact CD1-CG 3.99Å; L78-Y88 HydrophobicContact CD2-CD2 3.54Å; L78-Y88 HydrophobicContact CD2-CE1 4.38Å; L78-Y88 HydrophobicContact CD2-CE2 3.36Å; L78-Y88 HydrophobicContact CD2-CG 4.13Å; L78-Y88 HydrophobicContact CG-CE2 4.41Å |
| 79 | Q | 95.1 | Very high | 97 | Very high | 133 Ų | 133 | 50.7 Ų | 50.7 | 62% | 0.621 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -70.9 | -33 | 170.2 | -69.4 | 173.5 | -17.2 | 0 | 0 | 111.5 | K75 E76 C77 | K75-Q79 WeakPolarHBondContact O-CG 3.45Å; K75-Q79 PolarHBondContact O-N 3.21Å; K75-Q79 VanDerWaalsContact O-N 3.08Å; E76-Q79 WeakPolarHBondContact O-CB 3.3Å; E76-Q79 PolarHBondContact O-N 2.96Å; C77-Q79 VanDerWaalsContact C-N 3.33Å; C77-Q79 PolarHBondContact O-N 3Å |
| 80 | W | 93.8 | Very high | 97 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -80.6 | -42.1 | 177.6 | -75.6 | 100.6 | 0 | 0 | 0 | 113.2 | L38 Y41 P46 L50 A51 L54 E76 C77 L78 | L38-W80 HydrophobicContact CD2-CH2 3.65Å; L38-W80 HydrophobicContact CD2-CZ2 3.44Å; L38-W80 VanDerWaalsContact CD2-CZ2 3.44Å; Y41-W80 AromaticContact CD1-CH2 3.72Å; Y41-W80 HydrophobicContact CD1-CH2 3.72Å; Y41-W80 AromaticContact CD1-CZ3 3.84Å; Y41-W80 HydrophobicContact CD1-CZ3 3.84Å; Y41-W80 AromaticContact CE1-CH2 3.81Å; Y41-W80 HydrophobicContact CE1-CH2 3.81Å; Y41-W80 AromaticContact CE1-CZ3 3.68Å; Y41-W80 HydrophobicContact CE1-CZ3 3.68Å; Y41-W80 HydrophobicContact CG-CZ3 4.43Å; P46-W80 HydrophobicContact CB-CE3 3.85Å; P46-W80 HydrophobicContact CB-CZ3 4.03Å; L50-W80 HydrophobicContact CB-CD2 4.1Å; L50-W80 HydrophobicContact CB-CE3 4.32Å; L50-W80 HydrophobicContact CB-CG 4.18Å; L50-W80 HydrophobicContact CD1-CD2 3.89Å; L50-W80 HydrophobicContact CD1-CE3 3.63Å; L50-W80 HydrophobicContact CD1-CH2 3.66Å; L50-W80 HydrophobicContact CD1-CZ2 3.92Å; L50-W80 HydrophobicContact CD1-CZ3 3.51Å; A51-W80 HydrophobicContact CB-CB 4.06Å; L54-W80 HydrophobicContact CD1-CG 4.18Å; E76-W80 VanDerWaalsContact O-CD1 3.23Å; E76-W80 PolarHBondContact O-N 2.92Å; E76-W80 VanDerWaalsContact O-N 3.16Å; C77-W80 PolarHBondContact O-N 3.43Å; L78-W80 VanDerWaalsContact C-N 3.33Å |
| 81 | D | 94.6 | Very high | 97 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 10% | 0.096 | 24% | 0.239 | C | C | . | . | trans | -139.8 | 95.5 | 174.2 | -178.8 | 2.1 | 0 | 0 | 0 | 110.1 | R48 A51 C77 L78 T83 Y84 | R48-D81 IonicContact CZ-OD2 3.83Å; R48-D81 IonicContact NE-OD2 3.02Å; R48-D81 PolarHBondContact NE-OD2 3.41Å; R48-D81 IonicContact NH2-OD2 3.85Å; A51-D81 HydrophobicContact CB-CB 3.5Å; A51-D81 VanDerWaalsContact CB-CB 3.5Å; C77-D81 PolarHBondContact O-N 3.45Å; L78-D81 CarbonylContact O-C 3.57Å; D81-T83 PolarHBondContact O-N 2.89Å; D81-T83 VanDerWaalsContact O-N 3.08Å; D81-T83 WeakPolarHBondContact OD1-CA 3.37Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 PolarHBondContact OD1-N 3.16Å; D81-T83 PolarHBondContact OD1-OG1 3.45Å; D81-Y84 WeakPolarHBondContact O-CB 3.38Å; D81-Y84 PolarHBondContact O-N 2.91Å; D81-Y84 PolarHBondContact OD1-N 3.39Å | ||
| 82 | P | 95 | Very high | 97 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 48% | 0.481 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -12.2 | 175.8 | -21.9 | 32 | 0 | 0 | 0 | 114 | L78 Y88 L114 | L78-P82 WeakPolarHBondContact O-CA 3.32Å; L78-P82 WeakPolarHBondContact O-CD 3.37Å; L78-P82 WeakPolarHBondContact O-CG 3.26Å; P82-Y88 WeakPolarHBondContact O-CE2 3.43Å; P82-Y88 PolarHBondContact O-OH 3.16Å; P82-L114 WeakPolarHBondContact O-CD1 3.32Å |
| 83 | T | 93.8 | Very high | 97 | Very high | 83 Ų | 83 | 47.3 Ų | 47.3 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.1 | 176.8 | 76.1 | 0 | 0 | 0 | 0 | 112.5 | D81 V85 | D81-T83 PolarHBondContact O-N 2.89Å; D81-T83 VanDerWaalsContact O-N 3.08Å; D81-T83 WeakPolarHBondContact OD1-CA 3.37Å; D81-T83 WeakPolarHBondContact OD1-CB 3.42Å; D81-T83 PolarHBondContact OD1-N 3.16Å; D81-T83 PolarHBondContact OD1-OG1 3.45Å; T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 2.96Å |
| 84 | Y | 95.1 | Very high | 97 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 11% | 0.114 | 22% | 0.22 | C | C | . | . | trans | -77.5 | 82.8 | -179.5 | -162.1 | -109 | 0 | 0 | 0 | 111.4 | V52 C55 C77 D81 K86 G87 | V52-Y84 HydrophobicContact CG2-CE2 3.81Å; C55-Y84 HydrophobicContact CB-CD1 4.05Å; C55-Y84 HydrophobicContact CB-CE1 3.45Å; C55-Y84 VanDerWaalsContact CB-CE1 3.45Å; C77-Y84 WeakPolarHBondContact SG-CD1 3.34Å; D81-Y84 WeakPolarHBondContact O-CB 3.38Å; D81-Y84 PolarHBondContact O-N 2.91Å; D81-Y84 PolarHBondContact OD1-N 3.39Å; Y84-K86 HydrophobicContact CD1-CB 4.22Å; Y84-K86 HydrophobicContact CE1-CB 3.82Å; Y84-K86 PolarHBondContact O-N 2.62Å; Y84-G87 PolarHBondContact O-N 3.03Å | ||
| 85 | V | 95.6 | Very high | 97 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -44 | -41 | -174.8 | 172 | 0 | 0 | 0 | 0 | 113.9 | T83 G87 Y88 Y89 L114 V115 P123 F127 | T83-V85 VanDerWaalsContact C-N 3.33Å; T83-V85 PolarHBondContact O-N 2.96Å; V85-G87 PolarHBondContact O-N 3.27Å; V85-Y88 WeakPolarHBondContact O-CB 3.37Å; V85-Y88 PolarHBondContact O-N 3.46Å; V85-Y88 VanDerWaalsContact O-N 3.11Å; V85-Y89 PolarHBondContact O-N 3.35Å; V85-L114 HydrophobicContact CG2-CB 4.02Å; V85-V115 HydrophobicContact CB-CG2 4.33Å; V85-V115 HydrophobicContact CG1-CG2 3.39Å; V85-V115 HydrophobicContact CG2-CG2 3.96Å; V85-P123 HydrophobicContact CG1-CB 4.49Å; V85-F127 HydrophobicContact CG1-CE2 3.35Å; V85-F127 HydrophobicContact CG1-CZ 3.62Å |
| 86 | K | 96.3 | Very high | 97 | Very high | 132 Ų | 132 | 42.8 Ų | 42.8 | 57% | 0.574 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -60 | -29.1 | 179.9 | -68.6 | 180 | -179.1 | 173.8 | 0 | 112.7 | Y84 Y88 Y89 R90 | Y84-K86 HydrophobicContact CD1-CB 4.22Å; Y84-K86 HydrophobicContact CE1-CB 3.82Å; Y84-K86 PolarHBondContact O-N 2.62Å; K86-Y88 PolarHBondContact O-N 2.74Å; K86-Y89 WeakPolarHBondContact O-CB 3.46Å; K86-Y89 PolarHBondContact O-N 3.14Å; K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.32Å; K86-R90 PolarHBondContact O-N 3.02Å |
| 87 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y84 V85 R90 A91 | Y84-G87 PolarHBondContact O-N 3.03Å; V85-G87 PolarHBondContact O-N 3.27Å; G87-R90 PolarHBondContact O-N 2.82Å; G87-A91 WeakPolarHBondContact O-CB 3.24Å; G87-A91 PolarHBondContact O-N 3.29Å |
| 88 | Y | 98.4 | Very high | 97 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 13% | 0.129 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -43 | 176.3 | -68.4 | -80.9 | 0 | 0 | 0 | 112.3 | L78 P82 V85 K86 R90 A91 G92 M107 E110 L114 | L78-Y88 HydrophobicContact CD1-CD1 3.74Å; L78-Y88 HydrophobicContact CD1-CD2 4.24Å; L78-Y88 HydrophobicContact CD1-CE1 3.76Å; L78-Y88 HydrophobicContact CD1-CE2 4.26Å; L78-Y88 HydrophobicContact CD1-CG 3.99Å; L78-Y88 HydrophobicContact CD2-CD2 3.54Å; L78-Y88 HydrophobicContact CD2-CE1 4.38Å; L78-Y88 HydrophobicContact CD2-CE2 3.36Å; L78-Y88 HydrophobicContact CD2-CG 4.13Å; L78-Y88 HydrophobicContact CG-CE2 4.41Å; P82-Y88 WeakPolarHBondContact O-CE2 3.43Å; P82-Y88 PolarHBondContact O-OH 3.16Å; V85-Y88 WeakPolarHBondContact O-CB 3.37Å; V85-Y88 PolarHBondContact O-N 3.46Å; V85-Y88 VanDerWaalsContact O-N 3.11Å; K86-Y88 PolarHBondContact O-N 2.74Å; Y88-R90 PolarHBondContact O-N 3.03Å; Y88-A91 PolarHBondContact O-N 2.91Å; Y88-G92 PolarHBondContact O-N 3.44Å; Y88-M107 HydrophobicContact CD1-SD 4.27Å; Y88-E110 HydrophobicContact CD1-CB 3.85Å; Y88-E110 HydrophobicContact CE1-CB 3.64Å; Y88-L114 HydrophobicContact CD2-CD1 3.93Å; Y88-L114 HydrophobicContact CE2-CD1 3.29Å |
| 89 | Y | 97.9 | Very high | 97 | Very high | 64 Ų | 64 | 53.7 Ų | 53.7 | 25% | 0.251 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.3 | -49.1 | 175.1 | 176.3 | -86.2 | 0 | 0 | 0 | 111 | V85 K86 A91 G92 Y93 D126 | V85-Y89 PolarHBondContact O-N 3.35Å; K86-Y89 WeakPolarHBondContact O-CB 3.46Å; K86-Y89 PolarHBondContact O-N 3.14Å; Y89-A91 PolarHBondContact O-N 3.45Å; Y89-G92 PolarHBondContact O-N 3.15Å; Y89-Y93 HydrophobicContact CD1-CD2 4.09Å; Y89-Y93 HydrophobicContact CD2-CD2 4.04Å; Y89-Y93 AromaticContact CD2-CE2 3.74Å; Y89-Y93 HydrophobicContact CD2-CE2 3.74Å; Y89-Y93 AromaticContact CE1-CD2 3.74Å; Y89-Y93 HydrophobicContact CE1-CD2 3.74Å; Y89-Y93 HydrophobicContact CE1-CE2 4Å; Y89-Y93 AromaticContact CE2-CD2 3.7Å; Y89-Y93 HydrophobicContact CE2-CD2 3.7Å; Y89-Y93 AromaticContact CE2-CE2 3.14Å; Y89-Y93 HydrophobicContact CE2-CE2 3.14Å; Y89-Y93 HydrophobicContact CG-CD2 4.22Å; Y89-Y93 HydrophobicContact CG-CE2 4.38Å; Y89-Y93 AromaticContact CZ-CD2 3.53Å; Y89-Y93 AromaticContact CZ-CE2 3.28Å; Y89-Y93 WeakPolarHBondContact O-CD2 3.24Å; Y89-Y93 PolarHBondContact O-N 3.26Å; Y89-Y93 VanDerWaalsContact O-N 3.14Å; Y89-Y93 WeakPolarHBondContact OH-CE2 3.26Å; Y89-D126 HydrophobicContact CD2-CB 4.13Å; Y89-D126 HydrophobicContact CE2-CB 3.81Å |
| 90 | R | 98.4 | Very high | 97.1 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 179.2 | -64.4 | -57.5 | 176 | 178.7 | 3.8 | 112.4 | N59 A74 K86 G87 Y88 S94 | N59-R90 VanDerWaalsContact CG-NH1 3.35Å; N59-R90 VanDerWaalsContact CG-NH2 3.3Å; N59-R90 PolarHBondContact ND2-NH2 3.42Å; N59-R90 VanDerWaalsContact OD1-CZ 3.27Å; N59-R90 PolarHBondContact OD1-NH1 3.16Å; N59-R90 PolarHBondContact OD1-NH2 2.78Å; A74-R90 HydrophobicContact CB-CB 3.84Å; K86-R90 VanDerWaalsContact O-CG 3.31Å; K86-R90 WeakPolarHBondContact O-CG 3.32Å; K86-R90 PolarHBondContact O-N 3.02Å; G87-R90 PolarHBondContact O-N 2.82Å; Y88-R90 PolarHBondContact O-N 3.03Å; R90-S94 WeakPolarHBondContact O-CB 3.38Å; R90-S94 PolarHBondContact O-N 3.41Å; R90-S94 PolarHBondContact O-OG 2.93Å |
| 91 | A | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F71 A74 G87 Y88 Y89 Y93 S94 L95 M107 | F71-A91 HydrophobicContact CD2-CB 4.07Å; F71-A91 HydrophobicContact CE2-CB 4.18Å; A74-A91 HydrophobicContact CB-CB 3.91Å; G87-A91 WeakPolarHBondContact O-CB 3.24Å; G87-A91 PolarHBondContact O-N 3.29Å; Y88-A91 PolarHBondContact O-N 2.91Å; Y89-A91 PolarHBondContact O-N 3.45Å; A91-Y93 PolarHBondContact O-N 3.19Å; A91-S94 PolarHBondContact O-N 3.04Å; A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 2.92Å; A91-M107 HydrophobicContact CB-CB 4.34Å; A91-M107 HydrophobicContact CB-CG 3.85Å; A91-M107 HydrophobicContact CB-SD 4.06Å |
| 92 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -49.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y88 Y89 S94 L95 L96 A104 F108 | Y88-G92 PolarHBondContact O-N 3.44Å; Y89-G92 PolarHBondContact O-N 3.15Å; G92-S94 VanDerWaalsContact C-N 3.35Å; G92-S94 PolarHBondContact O-N 2.95Å; G92-L95 PolarHBondContact O-N 3.36Å; G92-L96 PolarHBondContact O-N 2.96Å; G92-A104 VanDerWaalsContact O-CB 3.32Å; G92-A104 WeakPolarHBondContact O-CB 3.28Å; G92-F108 VanDerWaalsContact C-CZ 3.42Å |
| 93 | Y | 98.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 177.1 | -83.8 | -78.1 | 0 | 0 | 0 | 113 | Y89 A91 L95 L96 R97 F108 | Y89-Y93 HydrophobicContact CD1-CD2 4.09Å; Y89-Y93 HydrophobicContact CD2-CD2 4.04Å; Y89-Y93 AromaticContact CD2-CE2 3.74Å; Y89-Y93 HydrophobicContact CD2-CE2 3.74Å; Y89-Y93 AromaticContact CE1-CD2 3.74Å; Y89-Y93 HydrophobicContact CE1-CD2 3.74Å; Y89-Y93 HydrophobicContact CE1-CE2 4Å; Y89-Y93 AromaticContact CE2-CD2 3.7Å; Y89-Y93 HydrophobicContact CE2-CD2 3.7Å; Y89-Y93 AromaticContact CE2-CE2 3.14Å; Y89-Y93 HydrophobicContact CE2-CE2 3.14Å; Y89-Y93 HydrophobicContact CG-CD2 4.22Å; Y89-Y93 HydrophobicContact CG-CE2 4.38Å; Y89-Y93 AromaticContact CZ-CD2 3.53Å; Y89-Y93 AromaticContact CZ-CE2 3.28Å; Y89-Y93 WeakPolarHBondContact O-CD2 3.24Å; Y89-Y93 PolarHBondContact O-N 3.26Å; Y89-Y93 VanDerWaalsContact O-N 3.14Å; Y89-Y93 WeakPolarHBondContact OH-CE2 3.26Å; A91-Y93 PolarHBondContact O-N 3.19Å; Y93-L95 VanDerWaalsContact C-N 3.33Å; Y93-L96 HydrophobicContact CD1-CD1 4.2Å; Y93-L96 HydrophobicContact CE1-CD1 4.41Å; Y93-L96 PolarHBondContact O-N 3.38Å; Y93-R97 WeakPolarHBondContact O-CG 3.11Å; Y93-R97 PolarHBondContact O-N 3.31Å; Y93-R97 VanDerWaalsContact O-N 3.17Å; Y93-F108 AromaticContact CD2-CE1 3.62Å; Y93-F108 HydrophobicContact CD2-CE1 3.62Å; Y93-F108 AromaticContact CD2-CZ 3.62Å; Y93-F108 HydrophobicContact CD2-CZ 3.62Å; Y93-F108 AromaticContact CE2-CE1 3.59Å; Y93-F108 HydrophobicContact CE2-CE1 3.59Å; Y93-F108 AromaticContact CE2-CZ 3.67Å; Y93-F108 HydrophobicContact CE2-CZ 3.67Å; Y93-F108 HydrophobicContact CG-CE1 4.48Å; Y93-F108 HydrophobicContact CG-CZ 4.05Å |
| 94 | S | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | A70 R90 A91 G92 R97 L98 | A70-S94 WeakPolarHBondContact CB-OG 3.35Å; R90-S94 WeakPolarHBondContact O-CB 3.38Å; R90-S94 PolarHBondContact O-N 3.41Å; R90-S94 PolarHBondContact O-OG 2.93Å; A91-S94 PolarHBondContact O-N 3.04Å; G92-S94 VanDerWaalsContact C-N 3.35Å; G92-S94 PolarHBondContact O-N 2.95Å; S94-R97 PolarHBondContact O-N 2.58Å; S94-L98 WeakPolarHBondContact O-CG 3.43Å; S94-L98 PolarHBondContact O-N 3.27Å; S94-L98 VanDerWaalsContact O-N 3.1Å |
| 95 | L | 98.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -38.1 | 176.6 | -73.9 | 164.4 | 0 | 0 | 0 | 112.9 | F71 A91 G92 Y93 R97 L98 H99 Q100 E103 A104 M107 | F71-L95 HydrophobicContact CD1-CD2 4.47Å; F71-L95 HydrophobicContact CD2-CD1 3.99Å; F71-L95 HydrophobicContact CD2-CD2 3.98Å; F71-L95 HydrophobicContact CD2-CG 3.68Å; F71-L95 HydrophobicContact CE1-CD2 4.35Å; F71-L95 HydrophobicContact CE2-CD1 3.58Å; F71-L95 HydrophobicContact CE2-CD2 3.86Å; F71-L95 HydrophobicContact CE2-CG 3.73Å; F71-L95 HydrophobicContact CG-CD2 4.29Å; F71-L95 HydrophobicContact CG-CG 4.35Å; F71-L95 HydrophobicContact CZ-CD1 4.32Å; F71-L95 HydrophobicContact CZ-CD2 4.05Å; F71-L95 HydrophobicContact CZ-CG 4.41Å; A91-L95 WeakPolarHBondContact O-CB 3.39Å; A91-L95 WeakPolarHBondContact O-CG 3.38Å; A91-L95 PolarHBondContact O-N 2.92Å; G92-L95 PolarHBondContact O-N 3.36Å; Y93-L95 VanDerWaalsContact C-N 3.33Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.38Å; L95-L98 CarbonylContact O-C 3.42Å; L95-L98 WeakPolarHBondContact O-CA 3.45Å; L95-L98 PolarHBondContact O-N 3.37Å; L95-H99 PolarHBondContact O-N 2.97Å; L95-Q100 HydrophobicContact CB-CB 4.32Å; L95-Q100 HydrophobicContact CD2-CB 3.97Å; L95-Q100 PolarHBondContact O-N 3.29Å; L95-E103 HydrophobicContact CD1-CB 3.78Å; L95-E103 HydrophobicContact CD2-CB 4.11Å; L95-E103 HydrophobicContact CG-CB 4.45Å; L95-A104 HydrophobicContact CB-CB 3.73Å; L95-M107 HydrophobicContact CD1-CG 3.76Å |
| 96 | L | 98 | Very high | 98 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 11% | 0.105 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.1 | -43.9 | 171.1 | -79.1 | 175 | 0 | 0 | 0 | 111.6 | G92 Y93 L98 H99 A104 F108 T133 T134 | G92-L96 PolarHBondContact O-N 2.96Å; Y93-L96 HydrophobicContact CD1-CD1 4.2Å; Y93-L96 HydrophobicContact CE1-CD1 4.41Å; Y93-L96 PolarHBondContact O-N 3.38Å; L96-L98 PolarHBondContact O-N 3.46Å; L96-H99 PolarHBondContact O-N 2.87Å; L96-H99 VanDerWaalsContact O-N 3.09Å; L96-A104 HydrophobicContact CD2-CB 4.13Å; L96-A104 HydrophobicContact CG-CB 3.86Å; L96-F108 HydrophobicContact CD1-CE2 3.86Å; L96-F108 HydrophobicContact CD1-CZ 4.11Å; L96-F108 HydrophobicContact CG-CE2 4.39Å; L96-T133 HydrophobicContact CD1-CG2 3.73Å; L96-T133 HydrophobicContact CD2-CG2 4.49Å; L96-T134 HydrophobicContact CD1-CG2 4.44Å; L96-T134 HydrophobicContact CD2-CG2 3.66Å; L96-T134 HydrophobicContact CG-CG2 4.23Å |
| 97 | R | 98 | Very high | 98.1 | Very high | 123 Ų | 123 | 52.5 Ų | 52.5 | 46% | 0.464 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.4 | -19.1 | 177.1 | -63.7 | -55.4 | -57.9 | -95.6 | 3.4 | 113.8 | F62 W67 Y93 S94 L95 | F62-R97 HydrophobicContact CE2-CG 3.68Å; F62-R97 HydrophobicContact CZ-CG 3.84Å; W67-R97 HydrophobicContact CB-CB 4.01Å; W67-R97 HydrophobicContact CD2-CB 3.45Å; W67-R97 VanDerWaalsContact CD2-CB 3.45Å; W67-R97 HydrophobicContact CD2-CG 3.85Å; W67-R97 HydrophobicContact CE3-CB 3.7Å; W67-R97 HydrophobicContact CE3-CG 3.65Å; W67-R97 HydrophobicContact CG-CB 3.56Å; W67-R97 HydrophobicContact CG-CG 4.48Å; W67-R97 HydrophobicContact CH2-CG 4.39Å; W67-R97 VanDerWaalsContact CH2-CZ 3.41Å; W67-R97 HydrophobicContact CZ3-CB 4.43Å; W67-R97 HydrophobicContact CZ3-CG 3.92Å; Y93-R97 WeakPolarHBondContact O-CG 3.11Å; Y93-R97 PolarHBondContact O-N 3.31Å; Y93-R97 VanDerWaalsContact O-N 3.17Å; S94-R97 PolarHBondContact O-N 2.58Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.38Å |
| 98 | L | 98.2 | Very high | 98.1 | Very high | 45 Ų | 45 | 52.5 Ų | 52.5 | 24% | 0.236 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.7 | 173.1 | -66.8 | 167.5 | 0 | 0 | 0 | 112.8 | W67 N68 F71 S94 L95 L96 Q100 | W67-L98 HydrophobicContact CB-CD1 4.47Å; W67-L98 HydrophobicContact CB-CD2 3.81Å; W67-L98 HydrophobicContact CB-CG 3.83Å; N68-L98 HydrophobicContact CB-CD2 4.31Å; F71-L98 HydrophobicContact CB-CD1 4.25Å; S94-L98 WeakPolarHBondContact O-CG 3.43Å; S94-L98 PolarHBondContact O-N 3.27Å; S94-L98 VanDerWaalsContact O-N 3.1Å; L95-L98 CarbonylContact O-C 3.42Å; L95-L98 WeakPolarHBondContact O-CA 3.45Å; L95-L98 PolarHBondContact O-N 3.37Å; L96-L98 PolarHBondContact O-N 3.46Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 3.44Å |
| 99 | H | 97.4 | Very high | 98.1 | Very high | 160 Ų | 160 | 55.6 Ų | 55.6 | 74% | 0.741 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 38.8 | -177.3 | -53.9 | -72 | 0 | 0 | 0 | 113.5 | L95 L96 P101 | L95-H99 PolarHBondContact O-N 2.97Å; L96-H99 PolarHBondContact O-N 2.87Å; L96-H99 VanDerWaalsContact O-N 3.09Å; H99-P101 VanDerWaalsContact O-CD 3.26Å; H99-P101 WeakPolarHBondContact O-CD 3.46Å |
| 100 | Q | 98 | Very high | 98 | Very high | 80 Ų | 80 | 56 Ų | 56 | 37% | 0.374 | 25% | 0.247 | S | C | . | . | trans | -116.6 | 68.9 | 176 | -68.9 | 175.6 | 48.8 | 0 | 0 | 110.4 | L95 L98 Y102 E103 A104 | L95-Q100 HydrophobicContact CB-CB 4.32Å; L95-Q100 HydrophobicContact CD2-CB 3.97Å; L95-Q100 PolarHBondContact O-N 3.29Å; L98-Q100 VanDerWaalsContact C-N 3.3Å; L98-Q100 PolarHBondContact O-N 3.44Å; Q100-Y102 PolarHBondContact O-N 3.3Å; Q100-E103 HydrophobicContact CB-CB 4.42Å; Q100-A104 WeakPolarHBondContact O-CB 3.49Å; Q100-A104 PolarHBondContact O-N 3.28Å | ||
| 101 | P | 97.4 | Very high | 97.9 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -31.2 | -170.8 | 26.5 | -34.9 | 0 | 0 | 0 | 113.3 | H99 A104 A105 | H99-P101 VanDerWaalsContact O-CD 3.26Å; H99-P101 WeakPolarHBondContact O-CD 3.46Å; P101-A104 PolarHBondContact O-N 2.97Å; P101-A105 WeakPolarHBondContact O-CB 3.42Å; P101-A105 PolarHBondContact O-N 3.37Å |
| 102 | Y | 97.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 53.9 Ų | 53.9 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.2 | -48.1 | 179.1 | 178.6 | -104.7 | 0 | 0 | 0 | 111.6 | Q100 A104 A105 R106 | Q100-Y102 PolarHBondContact O-N 3.3Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.46Å; Y102-A105 PolarHBondContact O-N 2.98Å; Y102-R106 HydrophobicContact CE1-CG 4.5Å; Y102-R106 WeakPolarHBondContact O-CG 3.49Å; Y102-R106 PolarHBondContact O-N 3.05Å; Y102-R106 VanDerWaalsContact O-N 3.1Å |
| 103 | E | 98.1 | Very high | 97.5 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 36% | 0.355 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 175.4 | -68 | 70.7 | -158.4 | 0 | 0 | 110.9 | L95 Q100 R106 M107 | L95-E103 HydrophobicContact CD1-CB 3.78Å; L95-E103 HydrophobicContact CD2-CB 4.11Å; L95-E103 HydrophobicContact CG-CB 4.45Å; Q100-E103 HydrophobicContact CB-CB 4.42Å; E103-R106 WeakPolarHBondContact O-CB 2.95Å; E103-R106 PolarHBondContact O-N 3.45Å; E103-M107 WeakPolarHBondContact O-CG 3.48Å; E103-M107 PolarHBondContact O-N 3.36Å; E103-M107 VanDerWaalsContact O-N 3.08Å |
| 104 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G92 L95 L96 Q100 P101 Y102 R106 M107 F108 T134 | G92-A104 VanDerWaalsContact O-CB 3.32Å; G92-A104 WeakPolarHBondContact O-CB 3.28Å; L95-A104 HydrophobicContact CB-CB 3.73Å; L96-A104 HydrophobicContact CD2-CB 4.13Å; L96-A104 HydrophobicContact CG-CB 3.86Å; Q100-A104 WeakPolarHBondContact O-CB 3.49Å; Q100-A104 PolarHBondContact O-N 3.28Å; P101-A104 PolarHBondContact O-N 2.97Å; Y102-A104 VanDerWaalsContact C-N 3.3Å; Y102-A104 PolarHBondContact O-N 3.46Å; A104-R106 VanDerWaalsContact C-N 3.28Å; A104-R106 PolarHBondContact O-N 3.49Å; A104-M107 PolarHBondContact O-N 3.05Å; A104-M107 VanDerWaalsContact O-N 3.1Å; A104-F108 HydrophobicContact CB-CE2 4.29Å; A104-F108 WeakPolarHBondContact O-CD2 3.42Å; A104-F108 PolarHBondContact O-N 3.23Å; A104-T134 HydrophobicContact CB-CG2 3.78Å |
| 105 | A | 98 | Very high | 96.9 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -43.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P101 Y102 M107 F108 F109 T134 | P101-A105 WeakPolarHBondContact O-CB 3.42Å; P101-A105 PolarHBondContact O-N 3.37Å; Y102-A105 PolarHBondContact O-N 2.98Å; A105-M107 VanDerWaalsContact C-N 3.34Å; A105-M107 PolarHBondContact O-N 3.41Å; A105-F108 PolarHBondContact O-N 3.34Å; A105-F109 HydrophobicContact CB-CD2 4.44Å; A105-F109 HydrophobicContact CB-CE2 4.34Å; A105-F109 WeakPolarHBondContact O-CD2 3.3Å; A105-F109 PolarHBondContact O-N 3.44Å; A105-T134 HydrophobicContact CB-CG2 4.04Å; A105-T134 WeakPolarHBondContact CB-OG1 3.43Å |
| 106 | R | 97.9 | Very high | 96.4 | Very high | 133 Ų | 133 | 65.9 Ų | 65.9 | 50% | 0.502 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 175.2 | -69.5 | 179.9 | 65.9 | -167.3 | 1 | 112 | Y102 E103 A104 F108 F109 E110 | Y102-R106 HydrophobicContact CE1-CG 4.5Å; Y102-R106 WeakPolarHBondContact O-CG 3.49Å; Y102-R106 PolarHBondContact O-N 3.05Å; Y102-R106 VanDerWaalsContact O-N 3.1Å; E103-R106 WeakPolarHBondContact O-CB 2.95Å; E103-R106 PolarHBondContact O-N 3.45Å; A104-R106 VanDerWaalsContact C-N 3.28Å; A104-R106 PolarHBondContact O-N 3.49Å; R106-F108 PolarHBondContact O-N 2.67Å; R106-F109 PolarHBondContact O-N 3.06Å; R106-E110 WeakPolarHBondContact O-CG 3.24Å; R106-E110 PolarHBondContact O-N 3.01Å |
| 107 | M | 98.4 | Very high | 95.9 | Very high | 44 Ų | 44 | 75.2 Ų | 75.2 | 22% | 0.217 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 177.3 | -66.1 | -60 | 96.8 | 0 | 0 | 111.7 | Y88 A91 L95 E103 A104 A105 E110 G111 | Y88-M107 HydrophobicContact CD1-SD 4.27Å; A91-M107 HydrophobicContact CB-CB 4.34Å; A91-M107 HydrophobicContact CB-CG 3.85Å; A91-M107 HydrophobicContact CB-SD 4.06Å; L95-M107 HydrophobicContact CD1-CG 3.76Å; E103-M107 WeakPolarHBondContact O-CG 3.48Å; E103-M107 PolarHBondContact O-N 3.36Å; E103-M107 VanDerWaalsContact O-N 3.08Å; A104-M107 PolarHBondContact O-N 3.05Å; A104-M107 VanDerWaalsContact O-N 3.1Å; A105-M107 VanDerWaalsContact C-N 3.34Å; A105-M107 PolarHBondContact O-N 3.41Å; M107-E110 PolarHBondContact O-N 3.25Å; M107-G111 PolarHBondContact O-N 3.36Å |
| 108 | F | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | 178.5 | -65.1 | -55.4 | 0 | 0 | 0 | 112.7 | G92 Y93 L96 A104 A105 R106 G111 L112 F127 G130 V131 T134 | G92-F108 VanDerWaalsContact C-CZ 3.42Å; Y93-F108 AromaticContact CD2-CE1 3.62Å; Y93-F108 HydrophobicContact CD2-CE1 3.62Å; Y93-F108 AromaticContact CD2-CZ 3.62Å; Y93-F108 HydrophobicContact CD2-CZ 3.62Å; Y93-F108 AromaticContact CE2-CE1 3.59Å; Y93-F108 HydrophobicContact CE2-CE1 3.59Å; Y93-F108 AromaticContact CE2-CZ 3.67Å; Y93-F108 HydrophobicContact CE2-CZ 3.67Å; Y93-F108 HydrophobicContact CG-CE1 4.48Å; Y93-F108 HydrophobicContact CG-CZ 4.05Å; L96-F108 HydrophobicContact CD1-CE2 3.86Å; L96-F108 HydrophobicContact CD1-CZ 4.11Å; L96-F108 HydrophobicContact CG-CE2 4.39Å; A104-F108 HydrophobicContact CB-CE2 4.29Å; A104-F108 WeakPolarHBondContact O-CD2 3.42Å; A104-F108 PolarHBondContact O-N 3.23Å; A105-F108 PolarHBondContact O-N 3.34Å; R106-F108 PolarHBondContact O-N 2.67Å; F108-G111 PolarHBondContact O-N 3.1Å; F108-L112 WeakPolarHBondContact O-CB 3.43Å; F108-L112 PolarHBondContact O-N 3.3Å; F108-F127 HydrophobicContact CB-CD1 4.07Å; F108-F127 AromaticContact CD1-CD1 3.81Å; F108-F127 HydrophobicContact CD1-CD1 3.81Å; F108-F127 HydrophobicContact CD1-CE1 4.15Å; F108-F127 HydrophobicContact CG-CD1 4.44Å; F108-F127 WeakPolarHBondContact O-CD1 3.45Å; F108-G130 WeakPolarHBondContact CE2-O 3.48Å; F108-V131 HydrophobicContact CB-CG2 3.71Å; F108-T134 HydrophobicContact CD2-CG2 3.97Å; F108-T134 HydrophobicContact CE2-CG2 3.96Å |
| 109 | F | 96.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 79 Ų | 79 | 43% | 0.43 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 176.5 | -78.9 | -58.8 | 0 | 0 | 0 | 112.9 | A105 R106 L112 R113 V131 | A105-F109 HydrophobicContact CB-CD2 4.44Å; A105-F109 HydrophobicContact CB-CE2 4.34Å; A105-F109 WeakPolarHBondContact O-CD2 3.3Å; A105-F109 PolarHBondContact O-N 3.44Å; R106-F109 PolarHBondContact O-N 3.06Å; F109-L112 PolarHBondContact O-N 2.99Å; F109-R113 WeakPolarHBondContact O-CG 3.18Å; F109-R113 PolarHBondContact O-N 3Å; F109-V131 HydrophobicContact CD1-CG2 4.18Å; F109-V131 HydrophobicContact CE1-CG1 4.04Å; F109-V131 HydrophobicContact CE1-CG2 3.99Å; F109-V131 HydrophobicContact CE2-CG1 4.13Å; F109-V131 HydrophobicContact CE2-CG2 4.36Å; F109-V131 HydrophobicContact CG-CG2 4.45Å; F109-V131 HydrophobicContact CZ-CG1 3.56Å; F109-V131 HydrophobicContact CZ-CG2 4.08Å |
| 110 | E | 96.4 | Very high | 94.1 | Very high | 72 Ų | 72 | 76.1 Ų | 76.1 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.7 | -65.5 | -57.6 | 163.4 | 0 | 0 | 111.5 | Y88 R106 M107 L112 R113 L114 | Y88-E110 HydrophobicContact CD1-CB 3.85Å; Y88-E110 HydrophobicContact CE1-CB 3.64Å; R106-E110 WeakPolarHBondContact O-CG 3.24Å; R106-E110 PolarHBondContact O-N 3.01Å; M107-E110 PolarHBondContact O-N 3.25Å; E110-L112 PolarHBondContact O-N 3.04Å; E110-R113 VanDerWaalsContact CD-NH1 3.31Å; E110-R113 PolarHBondContact O-N 3.23Å; E110-R113 IonicContact OE1-CZ 3.92Å; E110-R113 IonicContact OE1-NH1 2.84Å; E110-R113 PolarHBondContact OE1-NH1 3.4Å; E110-R113 IonicContact OE2-NH1 3.13Å; E110-R113 PolarHBondContact OE2-NH1 3.28Å; E110-R113 VanDerWaalsContact OE2-NH1 3.13Å; E110-L114 PolarHBondContact O-N 2.89Å |
| 111 | G | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | M107 F108 R113 L114 V115 | M107-G111 PolarHBondContact O-N 3.36Å; F108-G111 PolarHBondContact O-N 3.1Å; G111-R113 PolarHBondContact O-N 2.92Å; G111-L114 PolarHBondContact O-N 3.48Å; G111-V115 WeakPolarHBondContact O-CG2 3.46Å; G111-V115 PolarHBondContact O-N 2.87Å |
| 112 | L | 95.2 | Very high | 93.1 | Very high | 16 Ų | 16 | 78.3 Ų | 78.3 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.9 | -177.3 | 61.3 | 0 | 0 | 0 | 112.3 | F108 F109 E110 L114 V115 Q116 V124 F127 L128 | F108-L112 WeakPolarHBondContact O-CB 3.43Å; F108-L112 PolarHBondContact O-N 3.3Å; F109-L112 PolarHBondContact O-N 2.99Å; E110-L112 PolarHBondContact O-N 3.04Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.24Å; L112-V115 PolarHBondContact O-N 3.45Å; L112-Q116 HydrophobicContact CD1-CG 4.39Å; L112-Q116 HydrophobicContact CG-CG 4.48Å; L112-Q116 WeakPolarHBondContact O-CG 3.43Å; L112-Q116 PolarHBondContact O-N 2.82Å; L112-V124 HydrophobicContact CD1-CB 4.44Å; L112-V124 HydrophobicContact CD1-CG1 3.97Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å; L112-F127 HydrophobicContact CB-CB 4.1Å; L112-F127 HydrophobicContact CB-CG 4.41Å; L112-F127 HydrophobicContact CD1-CB 4.2Å; L112-L128 HydrophobicContact CD2-CD2 3.96Å |
| 113 | R | 94.5 | Very high | 92.7 | Very high | 134 Ų | 134 | 72.2 Ų | 72.2 | 51% | 0.506 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.1 | -36.5 | 176.6 | -75.5 | 171.9 | 178.4 | 170.5 | 1.3 | 112.5 | F109 E110 G111 R117 | F109-R113 WeakPolarHBondContact O-CG 3.18Å; F109-R113 PolarHBondContact O-N 3Å; E110-R113 VanDerWaalsContact CD-NH1 3.31Å; E110-R113 PolarHBondContact O-N 3.23Å; E110-R113 IonicContact OE1-CZ 3.92Å; E110-R113 IonicContact OE1-NH1 2.84Å; E110-R113 PolarHBondContact OE1-NH1 3.4Å; E110-R113 IonicContact OE2-NH1 3.13Å; E110-R113 PolarHBondContact OE2-NH1 3.28Å; E110-R113 VanDerWaalsContact OE2-NH1 3.13Å; G111-R113 PolarHBondContact O-N 2.92Å; R113-R117 WeakPolarHBondContact O-CG 3.19Å |
| 114 | L | 93.3 | Very high | 92.5 | Very high | 49 Ų | 49 | 70.1 Ų | 70.1 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.3 | -45 | 176.5 | -69.2 | 174 | 0 | 0 | 0 | 111.4 | P82 V85 Y88 E110 G111 L112 Q116 R117 S118 | P82-L114 WeakPolarHBondContact O-CD1 3.32Å; V85-L114 HydrophobicContact CG2-CB 4.02Å; Y88-L114 HydrophobicContact CD2-CD1 3.93Å; Y88-L114 HydrophobicContact CE2-CD1 3.29Å; E110-L114 PolarHBondContact O-N 2.89Å; G111-L114 PolarHBondContact O-N 3.48Å; L112-L114 VanDerWaalsContact C-N 3.26Å; L112-L114 PolarHBondContact O-N 3.24Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.45Å; L114-R117 PolarHBondContact O-N 2.84Å; L114-R117 VanDerWaalsContact O-N 3.12Å; L114-S118 PolarHBondContact O-N 3.21Å |
| 115 | V | 91.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.7 | V85 G111 L112 R117 S118 D120 Q121 P123 V124 F127 | V85-V115 HydrophobicContact CB-CG2 4.33Å; V85-V115 HydrophobicContact CG1-CG2 3.39Å; V85-V115 HydrophobicContact CG2-CG2 3.96Å; G111-V115 WeakPolarHBondContact O-CG2 3.46Å; G111-V115 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 3.45Å; V115-R117 PolarHBondContact O-N 3.29Å; V115-R117 VanDerWaalsContact O-N 3.11Å; V115-S118 WeakPolarHBondContact CA-OG 3.39Å; V115-S118 PolarHBondContact O-N 3.06Å; V115-S118 PolarHBondContact O-OG 3.24Å; V115-D120 WeakPolarHBondContact CG1-O 3.49Å; V115-Q121 PolarHBondContact O-NE2 2.93Å; V115-P123 HydrophobicContact CG1-CB 4.47Å; V115-P123 HydrophobicContact CG1-CG 4.49Å; V115-P123 HydrophobicContact CG2-CB 4.06Å; V115-P123 HydrophobicContact CG2-CG 4.29Å; V115-V124 HydrophobicContact CB-CG2 4.39Å; V115-V124 HydrophobicContact CG1-CG2 3.44Å; V115-V124 VanDerWaalsContact CG1-CG2 3.44Å; V115-F127 HydrophobicContact CG2-CD2 4.2Å; V115-F127 HydrophobicContact CG2-CE2 3.99Å |
| 116 | Q | 87.5 | Confident | 91.9 | Very high | 121 Ų | 121 | 76.2 Ų | 76.2 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.2 | 176.5 | -76.6 | 176.8 | -7.1 | 0 | 0 | 113.5 | L112 L114 | L112-Q116 HydrophobicContact CD1-CG 4.39Å; L112-Q116 HydrophobicContact CG-CG 4.48Å; L112-Q116 WeakPolarHBondContact O-CG 3.43Å; L112-Q116 PolarHBondContact O-N 2.82Å; L114-Q116 VanDerWaalsContact C-N 3.34Å; L114-Q116 PolarHBondContact O-N 3.45Å |
| 117 | R | 86.6 | Confident | 91.7 | Very high | 216 Ų | 216 | 70 Ų | 70 | 82% | 0.815 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -12.3 | 177.3 | -65.2 | 175.9 | 178.4 | -175.5 | -0.2 | 112.8 | R113 L114 V115 | R113-R117 WeakPolarHBondContact O-CG 3.19Å; L114-R117 PolarHBondContact O-N 2.84Å; L114-R117 VanDerWaalsContact O-N 3.12Å; V115-R117 PolarHBondContact O-N 3.29Å; V115-R117 VanDerWaalsContact O-N 3.11Å |
| 118 | S | 87.3 | Confident | 91.5 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 33% | 0.329 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -90.7 | 157.8 | 178.2 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | L114 V115 D120 Q121 | L114-S118 PolarHBondContact O-N 3.21Å; V115-S118 WeakPolarHBondContact CA-OG 3.39Å; V115-S118 PolarHBondContact O-N 3.06Å; V115-S118 PolarHBondContact O-OG 3.24Å; S118-D120 VanDerWaalsContact C-N 3.29Å; S118-D120 PolarHBondContact OG-O 3.05Å; S118-Q121 PolarHBondContact O-NE2 3.11Å |
| 119 | Q | 85.3 | Confident | 91.4 | Very high | 201 Ų | 201 | 75.1 Ų | 75.1 | 94% | 0.939 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -70 | -28.3 | 172.4 | -72.5 | 178.3 | -9.3 | 0 | 0 | 112.5 | ||
| 120 | D | 83.3 | Confident | 91.3 | Very high | 98 Ų | 98 | 70.5 Ų | 70.5 | 52% | 0.524 | 36% | 0.363 | S | S | . | . | trans | -81.2 | 116.8 | 174.3 | -177.2 | 10.5 | 0 | 0 | 0 | 110.1 | V115 S118 A122 | V115-D120 WeakPolarHBondContact CG1-O 3.49Å; S118-D120 VanDerWaalsContact C-N 3.29Å; S118-D120 PolarHBondContact OG-O 3.05Å; D120-A122 VanDerWaalsContact OD1-CB 3.23Å; D120-A122 WeakPolarHBondContact OD1-CB 3.32Å; D120-A122 PolarHBondContact OD1-N 3.47Å | ||
| 121 | Q | 86.8 | Confident | 91.2 | Very high | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 35% | 0.35 | S | S | . | . | trans | -106.5 | 0.7 | 178.7 | -62.8 | -62 | -42.7 | 0 | 0 | 112.4 | V115 S118 P123 V124 | V115-Q121 PolarHBondContact O-NE2 2.93Å; S118-Q121 PolarHBondContact O-NE2 3.11Å; Q121-P123 VanDerWaalsContact C-CD 3.4Å; Q121-P123 VanDerWaalsContact C-N 3.3Å; Q121-V124 HydrophobicContact CB-CG2 4.29Å; Q121-V124 WeakPolarHBondContact O-CB 3.35Å; Q121-V124 WeakPolarHBondContact O-CG2 3.49Å; Q121-V124 PolarHBondContact O-N 3.3Å; Q121-V124 VanDerWaalsContact O-N 3.1Å | ||
| 122 | A | 87.9 | Confident | 91.1 | Very high | 77 Ų | 77 | 73.9 Ų | 73.9 | 64% | 0.636 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -39.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D120 V124 | D120-A122 VanDerWaalsContact OD1-CB 3.23Å; D120-A122 WeakPolarHBondContact OD1-CB 3.32Å; D120-A122 PolarHBondContact OD1-N 3.47Å; A122-V124 VanDerWaalsContact C-N 3.29Å; A122-V124 PolarHBondContact O-N 3.01Å |
| 123 | P | 90.1 | Very high | 91.1 | Very high | 30 Ų | 30 | 75.4 Ų | 75.4 | 20% | 0.195 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.1 | -178.5 | -16 | 31.5 | 0 | 0 | 0 | 115.1 | V85 V115 Q121 A125 D126 F127 | V85-P123 HydrophobicContact CG1-CB 4.49Å; V115-P123 HydrophobicContact CG1-CB 4.47Å; V115-P123 HydrophobicContact CG1-CG 4.49Å; V115-P123 HydrophobicContact CG2-CB 4.06Å; V115-P123 HydrophobicContact CG2-CG 4.29Å; Q121-P123 VanDerWaalsContact C-CD 3.4Å; Q121-P123 VanDerWaalsContact C-N 3.3Å; P123-A125 VanDerWaalsContact C-N 3.32Å; P123-A125 PolarHBondContact O-N 3.33Å; P123-D126 WeakPolarHBondContact O-CB 3.32Å; P123-D126 PolarHBondContact O-N 3.3Å; P123-F127 HydrophobicContact CB-CD2 4.11Å; P123-F127 HydrophobicContact CB-CE2 4Å; P123-F127 VanDerWaalsContact O-CD2 3.24Å; P123-F127 WeakPolarHBondContact O-CD2 3.42Å; P123-F127 PolarHBondContact O-N 3.12Å |
| 124 | V | 92.4 | Very high | 91 | Very high | 33 Ų | 33 | 69.8 Ų | 69.8 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | -173.8 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | L112 V115 Q121 A122 D126 F127 L128 | L112-V124 HydrophobicContact CD1-CB 4.44Å; L112-V124 HydrophobicContact CD1-CG1 3.97Å; L112-V124 HydrophobicContact CD1-CG2 4.34Å; V115-V124 HydrophobicContact CB-CG2 4.39Å; V115-V124 HydrophobicContact CG1-CG2 3.44Å; V115-V124 VanDerWaalsContact CG1-CG2 3.44Å; Q121-V124 HydrophobicContact CB-CG2 4.29Å; Q121-V124 WeakPolarHBondContact O-CB 3.35Å; Q121-V124 WeakPolarHBondContact O-CG2 3.49Å; Q121-V124 PolarHBondContact O-N 3.3Å; Q121-V124 VanDerWaalsContact O-N 3.1Å; A122-V124 VanDerWaalsContact C-N 3.29Å; A122-V124 PolarHBondContact O-N 3.01Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 2.84Å; V124-F127 PolarHBondContact O-N 2.94Å; V124-L128 HydrophobicContact CG1-CD1 3.92Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.14Å |
| 125 | A | 91.7 | Very high | 90.8 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 50% | 0.504 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.9 | -44 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | P123 F127 L128 V129 | P123-A125 VanDerWaalsContact C-N 3.32Å; P123-A125 PolarHBondContact O-N 3.33Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.32Å; A125-L128 PolarHBondContact O-N 3.42Å; A125-V129 WeakPolarHBondContact O-CG2 3.28Å; A125-V129 PolarHBondContact O-N 3.27Å |
| 126 | D | 91.9 | Very high | 90.4 | Very high | 80 Ų | 80 | 79.3 Ų | 79.3 | 43% | 0.428 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 178.6 | -69.5 | -19.7 | 0 | 0 | 0 | 111.8 | Y89 P123 V124 G130 | Y89-D126 HydrophobicContact CD2-CB 4.13Å; Y89-D126 HydrophobicContact CE2-CB 3.81Å; P123-D126 WeakPolarHBondContact O-CB 3.32Å; P123-D126 PolarHBondContact O-N 3.3Å; V124-D126 VanDerWaalsContact C-N 3.32Å; V124-D126 PolarHBondContact O-N 2.84Å; D126-G130 PolarHBondContact O-N 3.19Å |
| 127 | F | 95.3 | Very high | 89.8 | Confident | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.009 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -68.2 | -40.6 | 176.8 | -80.5 | -72.5 | 0 | 0 | 0 | 112.9 | V85 F108 L112 V115 P123 V124 A125 G130 V131 | V85-F127 HydrophobicContact CG1-CE2 3.35Å; V85-F127 HydrophobicContact CG1-CZ 3.62Å; F108-F127 HydrophobicContact CB-CD1 4.07Å; F108-F127 AromaticContact CD1-CD1 3.81Å; F108-F127 HydrophobicContact CD1-CD1 3.81Å; F108-F127 HydrophobicContact CD1-CE1 4.15Å; F108-F127 HydrophobicContact CG-CD1 4.44Å; F108-F127 WeakPolarHBondContact O-CD1 3.45Å; L112-F127 HydrophobicContact CB-CB 4.1Å; L112-F127 HydrophobicContact CB-CG 4.41Å; L112-F127 HydrophobicContact CD1-CB 4.2Å; V115-F127 HydrophobicContact CG2-CD2 4.2Å; V115-F127 HydrophobicContact CG2-CE2 3.99Å; P123-F127 HydrophobicContact CB-CD2 4.11Å; P123-F127 HydrophobicContact CB-CE2 4Å; P123-F127 VanDerWaalsContact O-CD2 3.24Å; P123-F127 WeakPolarHBondContact O-CD2 3.42Å; P123-F127 PolarHBondContact O-N 3.12Å; V124-F127 PolarHBondContact O-N 2.94Å; A125-F127 VanDerWaalsContact C-N 3.32Å; A125-F127 PolarHBondContact O-N 3.32Å; F127-G130 PolarHBondContact O-N 3.07Å; F127-V131 WeakPolarHBondContact O-CG2 3.31Å; F127-V131 PolarHBondContact O-N 2.93Å |
| 128 | L | 94.3 | Very high | 89.9 | Confident | 74 Ų | 74 | 71.5 Ų | 71.5 | 39% | 0.387 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.7 | -69.5 | 175.4 | 0 | 0 | 0 | 111.2 | L112 V124 A125 G130 V131 F132 | L112-L128 HydrophobicContact CD2-CD2 3.96Å; V124-L128 HydrophobicContact CG1-CD1 3.92Å; V124-L128 HydrophobicContact CG1-CG 4.29Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.14Å; A125-L128 PolarHBondContact O-N 3.42Å; L128-G130 VanDerWaalsContact C-N 3.3Å; L128-G130 PolarHBondContact O-N 3.34Å; L128-V131 PolarHBondContact O-N 3.25Å; L128-F132 WeakPolarHBondContact O-CD2 3.42Å; L128-F132 PolarHBondContact O-N 3.06Å |
| 129 | V | 95.3 | Very high | 90 | Very high | 79 Ų | 79 | 72.8 Ų | 72.8 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 173.5 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | A125 V131 F132 T133 | A125-V129 WeakPolarHBondContact O-CG2 3.28Å; A125-V129 PolarHBondContact O-N 3.27Å; V129-V131 PolarHBondContact O-N 3.48Å; V129-F132 PolarHBondContact O-N 3.17Å; V129-T133 WeakPolarHBondContact O-CB 3.26Å; V129-T133 PolarHBondContact O-N 3.16Å; V129-T133 PolarHBondContact O-OG1 2.86Å |
| 130 | G | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55 | -49.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F108 D126 F127 L128 T133 T134 | F108-G130 WeakPolarHBondContact CE2-O 3.48Å; D126-G130 PolarHBondContact O-N 3.19Å; F127-G130 PolarHBondContact O-N 3.07Å; L128-G130 VanDerWaalsContact C-N 3.3Å; L128-G130 PolarHBondContact O-N 3.34Å; G130-T133 WeakPolarHBondContact O-CB 3.43Å; G130-T133 PolarHBondContact O-N 3.39Å; G130-T134 WeakPolarHBondContact O-CG2 3.49Å; G130-T134 PolarHBondContact O-N 3.46Å |
| 131 | V | 94.6 | Very high | 90.7 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 8% | 0.079 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.7 | -50.7 | 177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | F108 F109 F127 L128 V129 T133 T134 M135 | F108-V131 HydrophobicContact CB-CG2 3.71Å; F109-V131 HydrophobicContact CD1-CG2 4.18Å; F109-V131 HydrophobicContact CE1-CG1 4.04Å; F109-V131 HydrophobicContact CE1-CG2 3.99Å; F109-V131 HydrophobicContact CE2-CG1 4.13Å; F109-V131 HydrophobicContact CE2-CG2 4.36Å; F109-V131 HydrophobicContact CG-CG2 4.45Å; F109-V131 HydrophobicContact CZ-CG1 3.56Å; F109-V131 HydrophobicContact CZ-CG2 4.08Å; F127-V131 WeakPolarHBondContact O-CG2 3.31Å; F127-V131 PolarHBondContact O-N 2.93Å; L128-V131 PolarHBondContact O-N 3.25Å; V129-V131 PolarHBondContact O-N 3.48Å; V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 PolarHBondContact O-N 2.92Å; V131-T134 PolarHBondContact O-N 3.3Å; V131-T134 VanDerWaalsContact O-N 3.12Å; V131-T134 PolarHBondContact O-OG1 3.27Å; V131-M135 PolarHBondContact O-N 3.49Å |
| 132 | F | 94.4 | Very high | 91 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 57% | 0.57 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63.6 | -33.4 | 179.8 | -72.3 | -60.8 | 0 | 0 | 0 | 113 | L128 V129 T134 M135 S136 | L128-F132 WeakPolarHBondContact O-CD2 3.42Å; L128-F132 PolarHBondContact O-N 3.06Å; V129-F132 PolarHBondContact O-N 3.17Å; F132-T134 VanDerWaalsContact C-N 3.3Å; F132-T134 PolarHBondContact O-N 3.06Å; F132-M135 HydrophobicContact CD1-SD 4.08Å; F132-M135 PolarHBondContact O-N 3.24Å; F132-S136 PolarHBondContact O-N 3.39Å; F132-S136 PolarHBondContact O-OG 3.43Å |
| 133 | T | 94.6 | Very high | 91.2 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 29% | 0.294 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.1 | -41.1 | 175.5 | -55 | 0 | 0 | 0 | 0 | 110.8 | L96 V129 G130 V131 M135 S136 S137 | L96-T133 HydrophobicContact CD1-CG2 3.73Å; L96-T133 HydrophobicContact CD2-CG2 4.49Å; V129-T133 WeakPolarHBondContact O-CB 3.26Å; V129-T133 PolarHBondContact O-N 3.16Å; V129-T133 PolarHBondContact O-OG1 2.86Å; G130-T133 WeakPolarHBondContact O-CB 3.43Å; G130-T133 PolarHBondContact O-N 3.39Å; V131-T133 VanDerWaalsContact C-N 3.26Å; V131-T133 PolarHBondContact O-N 2.92Å; T133-M135 PolarHBondContact O-N 3.21Å; T133-S136 PolarHBondContact O-N 2.71Å; T133-S137 PolarHBondContact O-N 3.07Å; T133-S137 PolarHBondContact O-OG 3.37Å |
| 134 | T | 94.3 | Very high | 91.2 | Very high | 16 Ų | 16 | 63.4 Ų | 63.4 | 10% | 0.098 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.8 | -26.6 | 178.7 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | L96 A104 A105 F108 G130 V131 F132 S136 | L96-T134 HydrophobicContact CD1-CG2 4.44Å; L96-T134 HydrophobicContact CD2-CG2 3.66Å; L96-T134 HydrophobicContact CG-CG2 4.23Å; A104-T134 HydrophobicContact CB-CG2 3.78Å; A105-T134 HydrophobicContact CB-CG2 4.04Å; A105-T134 WeakPolarHBondContact CB-OG1 3.43Å; F108-T134 HydrophobicContact CD2-CG2 3.97Å; F108-T134 HydrophobicContact CE2-CG2 3.96Å; G130-T134 WeakPolarHBondContact O-CG2 3.49Å; G130-T134 PolarHBondContact O-N 3.46Å; V131-T134 PolarHBondContact O-N 3.3Å; V131-T134 VanDerWaalsContact O-N 3.12Å; V131-T134 PolarHBondContact O-OG1 3.27Å; F132-T134 VanDerWaalsContact C-N 3.3Å; F132-T134 PolarHBondContact O-N 3.06Å; T134-S136 VanDerWaalsContact C-N 3.31Å |
| 135 | M | 88.8 | Confident | 91.2 | Very high | 144 Ų | 144 | 65.8 Ų | 65.8 | 71% | 0.709 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78 | -19.5 | 177 | -60.7 | 175.9 | 64 | 0 | 0 | 112.9 | V131 F132 T133 | V131-M135 PolarHBondContact O-N 3.49Å; F132-M135 HydrophobicContact CD1-SD 4.08Å; F132-M135 PolarHBondContact O-N 3.24Å; T133-M135 PolarHBondContact O-N 3.21Å |
| 136 | S | 82.4 | Confident | 91.1 | Very high | 107 Ų | 107 | 66.2 Ų | 66.2 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | trans | -102 | -1.6 | -177.7 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | F132 T133 T134 | F132-S136 PolarHBondContact O-N 3.39Å; F132-S136 PolarHBondContact O-OG 3.43Å; T133-S136 PolarHBondContact O-N 2.71Å; T134-S136 VanDerWaalsContact C-N 3.31Å | ||
| 137 | S | 73.3 | Confident | 91 | Very high | 101 Ų | 101 | 64.9 Ų | 64.9 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | trans | -107.7 | 0 | -173.1 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | T133 | T133-S137 PolarHBondContact O-N 3.07Å; T133-S137 PolarHBondContact O-OG 3.37Å |
Retrieved 137 of 137 residues in 43.9 ms
(Link to these results)