| 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 | 71.3 | Confident | 94.7 | Very high | 130 Ų | 130 | 67.2 Ų | 67.2 | 64% | 0.64 | 33% | 0.325 | S | S | * | . | 0 | 139 | 0 | -162 | 174.2 | -56.2 | 0 | 0 | 106.4 | E5 L6 K9 | M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å | |||
| 2 | D | 92.7 | Very high | 95 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | trans | -66.1 | 151.8 | 178.8 | 179.2 | 43.6 | 0 | 0 | 0 | 110.7 | N4 E5 L6 | D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å | ||
| 3 | K | 95.4 | Very high | 95.3 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 17% | 0.174 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.8 | -45.4 | 177.3 | -172.5 | 179.2 | 179.3 | -162.6 | 0 | 110.9 | E5 L6 V7 V29 E40 | K3-E5 PolarHBondContact O-N 3.21Å; K3-L6 PolarHBondContact O-N 3.1Å; K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å |
| 4 | N | 95.9 | Very high | 95.5 | Very high | 104 Ų | 104 | 66.4 Ų | 66.4 | 56% | 0.556 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65 | -41.2 | -177.8 | -59.8 | -55.5 | 0 | 0 | 0 | 111.8 | D2 L6 V7 Q8 | D2-N4 VanDerWaalsContact C-N 3.26Å; D2-N4 PolarHBondContact O-N 3.2Å; D2-N4 WeakPolarHBondContact OD2-CB 3.49Å; D2-N4 PolarHBondContact OD2-N 3.43Å; D2-N4 PolarHBondContact OD2-ND2 3.48Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; N4-V7 PolarHBondContact O-N 3.5Å; N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å |
| 5 | E | 97.2 | Very high | 95.6 | Very high | 109 Ų | 109 | 72.3 Ų | 72.3 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61 | -41 | 176.3 | -69.6 | 179.2 | 158.9 | 0 | 0 | 111.9 | M1 D2 K3 Q8 K9 | M1-E5 HydrophobicContact CG-CB 3.77Å; M1-E5 WeakPolarHBondContact CG-OE2 3.48Å; M1-E5 HydrophobicContact SD-CB 4.26Å; D2-E5 HydrophobicContact CB-CB 4.49Å; D2-E5 HydrophobicContact CB-CG 4.17Å; D2-E5 PolarHBondContact N-OE2 2.91Å; D2-E5 PolarHBondContact O-N 3.39Å; K3-E5 PolarHBondContact O-N 3.21Å; E5-Q8 PolarHBondContact O-N 2.96Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å |
| 6 | L | 98 | Very high | 95.8 | Very high | 12 Ų | 12 | 71.8 Ų | 71.8 | 6% | 0.063 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 177.1 | -71.9 | 165.8 | 0 | 0 | 0 | 111.9 | M1 D2 K3 N4 K9 A10 V29 | M1-L6 HydrophobicContact CB-CD1 4.31Å; M1-L6 HydrophobicContact CB-CD2 4.14Å; M1-L6 HydrophobicContact CB-CG 3.99Å; M1-L6 HydrophobicContact CE-CD2 4.36Å; M1-L6 HydrophobicContact CG-CD2 4.18Å; M1-L6 HydrophobicContact CG-CG 4.01Å; M1-L6 HydrophobicContact SD-CD2 3.49Å; M1-L6 WeakPolarHBondContact SD-CD2 3.49Å; M1-L6 HydrophobicContact SD-CG 3.86Å; D2-L6 PolarHBondContact O-N 3.04Å; D2-L6 VanDerWaalsContact O-N 3.12Å; K3-L6 PolarHBondContact O-N 3.1Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 2.88Å; L6-K9 PolarHBondContact O-N 3.41Å; L6-A10 PolarHBondContact O-N 3.15Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å |
| 7 | V | 98.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | K3 N4 K9 A10 K11 V29 E40 L43 | K3-V7 WeakPolarHBondContact O-CG2 3.39Å; K3-V7 PolarHBondContact O-N 3.43Å; N4-V7 PolarHBondContact O-N 3.5Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; V7-L43 HydrophobicContact CG1-CD1 3.88Å |
| 8 | Q | 98.1 | Very high | 96 | Very high | 111 Ų | 111 | 79.8 Ų | 79.8 | 52% | 0.519 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.1 | -68.4 | -59.6 | -30.1 | 0 | 0 | 112.1 | N4 E5 K11 L12 | N4-Q8 VanDerWaalsContact O-CG 3.27Å; N4-Q8 WeakPolarHBondContact O-CG 3.29Å; N4-Q8 PolarHBondContact O-N 3.45Å; E5-Q8 PolarHBondContact O-N 2.96Å; Q8-K11 PolarHBondContact O-N 3.46Å; Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å |
| 9 | K | 98.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 78.3 Ų | 78.3 | 43% | 0.43 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 172.8 | -75.5 | 179.5 | -178.4 | -178.4 | 0 | 112.5 | M1 E5 L6 V7 K11 L12 A13 | M1-K9 HydrophobicContact CE-CD 4.43Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K9 PolarHBondContact SD-NZ 3.19Å; E5-K9 WeakPolarHBondContact O-CG 3.33Å; E5-K9 PolarHBondContact O-N 3.21Å; L6-K9 PolarHBondContact O-N 3.41Å; V7-K9 VanDerWaalsContact C-N 3.34Å; V7-K9 PolarHBondContact O-N 3.19Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K9-L12 PolarHBondContact O-N 2.93Å; K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å |
| 10 | A | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L6 V7 A13 E14 M22 C25 M26 | L6-A10 PolarHBondContact O-N 3.15Å; V7-A10 WeakPolarHBondContact O-CB 3.47Å; V7-A10 PolarHBondContact O-N 3Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A10-E14 PolarHBondContact O-N 2.75Å; A10-M22 HydrophobicContact CB-CG 4.03Å; A10-C25 HydrophobicContact CB-CB 3.97Å; A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å |
| 11 | K | 98.4 | Very high | 96.4 | Very high | 42 Ų | 42 | 77.7 Ų | 77.7 | 18% | 0.183 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 175.6 | -67.7 | -179.2 | -175.3 | -174.2 | 0 | 112.8 | V7 Q8 K9 E14 Q15 E39 L43 | V7-K11 WeakPolarHBondContact O-CG 3.26Å; V7-K11 PolarHBondContact O-N 2.75Å; Q8-K11 PolarHBondContact O-N 3.46Å; K9-K11 VanDerWaalsContact C-N 3.34Å; K9-K11 PolarHBondContact O-N 2.86Å; K11-E14 PolarHBondContact O-N 3.35Å; K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å |
| 12 | L | 98.5 | Very high | 97.6 | Very high | 112 Ų | 112 | 71.5 Ų | 71.5 | 59% | 0.586 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 173.4 | -70.9 | 171.4 | 0 | 0 | 0 | 111.7 | Q8 K9 Q15 A16 | Q8-L12 WeakPolarHBondContact O-CG 3.47Å; Q8-L12 PolarHBondContact O-N 3.29Å; K9-L12 PolarHBondContact O-N 2.93Å; L12-Q15 PolarHBondContact O-N 3.08Å; L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å |
| 13 | A | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K9 A10 A16 E17 R18 D21 M22 | K9-A13 WeakPolarHBondContact O-CB 3.38Å; K9-A13 PolarHBondContact O-N 3.4Å; A10-A13 WeakPolarHBondContact O-CB 3.46Å; A10-A13 PolarHBondContact O-N 2.7Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; A13-E17 PolarHBondContact O-N 2.91Å; A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A13-D21 HydrophobicContact CB-CB 3.99Å; A13-M22 HydrophobicContact CB-CB 3.97Å |
| 14 | E | 98.2 | Very high | 98.1 | Very high | 69 Ų | 69 | 68.6 Ų | 68.6 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -49.5 | 173.4 | -177.8 | -179.8 | -149.2 | 0 | 0 | 111.6 | A10 K11 A16 E17 M22 L43 | A10-E14 PolarHBondContact O-N 2.75Å; K11-E14 PolarHBondContact O-N 3.35Å; E14-A16 PolarHBondContact O-N 2.95Å; E14-E17 PolarHBondContact O-N 3.43Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å |
| 15 | Q | 97.8 | Very high | 98.2 | Very high | 156 Ų | 156 | 64.5 Ų | 64.5 | 73% | 0.729 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.4 | -26.3 | 177.7 | -70.2 | 175.2 | 40.2 | 0 | 0 | 113.3 | K11 L12 | K11-Q15 WeakPolarHBondContact O-CG 3.47Å; K11-Q15 PolarHBondContact O-N 2.97Å; K11-Q15 VanDerWaalsContact O-N 3.17Å; L12-Q15 PolarHBondContact O-N 3.08Å |
| 16 | A | 98 | Very high | 98.2 | Very high | 63 Ų | 63 | 59.3 Ų | 59.3 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 5.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 A13 E14 R18 | L12-A16 PolarHBondContact O-N 3.48Å; L12-A16 VanDerWaalsContact O-N 3.15Å; A13-A16 CarbonylContact O-C 3.52Å; A13-A16 PolarHBondContact O-N 3.13Å; E14-A16 PolarHBondContact O-N 2.95Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å |
| 17 | E | 97.7 | Very high | 98.3 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 67% | 0.673 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 27 | -175.4 | -56.3 | -173.2 | 153.7 | 0 | 0 | 113.8 | A13 E14 Y19 | A13-E17 PolarHBondContact O-N 2.91Å; E14-E17 PolarHBondContact O-N 3.43Å; E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å |
| 18 | R | 98.3 | Very high | 98.3 | Very high | 144 Ų | 144 | 63.2 Ų | 63.2 | 54% | 0.543 | 32% | 0.323 | S | S | . | . | trans | -91 | 67.9 | 177.4 | -65.8 | -160 | 64.2 | -174.2 | -13.5 | 110.6 | A13 A16 D20 D21 M22 | A13-R18 HydrophobicContact CB-CB 4.36Å; A13-R18 PolarHBondContact O-N 2.93Å; A16-R18 HydrophobicContact CB-CG 4.11Å; A16-R18 PolarHBondContact O-N 3.41Å; A16-R18 VanDerWaalsContact O-N 3.1Å; R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; R18-M22 PolarHBondContact O-N 3.02Å | ||
| 19 | Y | 98.4 | Very high | 98.3 | Very high | 51 Ų | 51 | 58 Ų | 58 | 20% | 0.2 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -27.3 | -172.4 | -57.5 | -71.2 | 0 | 0 | 0 | 114.4 | E17 M22 A23 V46 N50 V51 | E17-Y19 VanDerWaalsContact C-N 3.34Å; E17-Y19 HydrophobicContact CB-CE2 3.91Å; E17-Y19 VanDerWaalsContact O-CD2 3.32Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 2.86Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; Y19-V46 HydrophobicContact CE1-CG1 4.29Å; Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å |
| 20 | D | 98.1 | Very high | 98.3 | Very high | 84 Ų | 84 | 53.4 Ų | 53.4 | 45% | 0.449 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 172.5 | -62.9 | -79.6 | 0 | 0 | 0 | 111.3 | R18 A23 A24 R55 | R18-D20 VanDerWaalsContact C-N 3.29Å; R18-D20 PolarHBondContact O-N 3.13Å; D20-A23 PolarHBondContact O-N 3.43Å; D20-A24 PolarHBondContact O-N 2.85Å; D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å |
| 21 | D | 98.3 | Very high | 98.3 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 32% | 0.321 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.7 | -40.1 | 175.2 | -63.6 | 5.4 | 0 | 0 | 0 | 110.7 | A13 R18 A24 C25 | A13-D21 HydrophobicContact CB-CB 3.99Å; R18-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 IonicContact CZ-OD1 3.43Å; R18-D21 IonicContact CZ-OD2 2.95Å; R18-D21 IonicContact NE-OD1 2.71Å; R18-D21 IonicContact NE-OD2 3.15Å; R18-D21 PolarHBondContact NE-OD2 3.4Å; R18-D21 IonicContact NH1-OD2 2.64Å; R18-D21 PolarHBondContact NH1-OD2 2.72Å; R18-D21 VanDerWaalsContact NH2-CG 3.3Å; R18-D21 IonicContact NH2-OD1 2.7Å; R18-D21 PolarHBondContact NH2-OD1 3.34Å; R18-D21 IonicContact NH2-OD2 3.72Å; R18-D21 PolarHBondContact NH2-OD2 3.43Å; R18-D21 WeakPolarHBondContact O-CB 3.37Å; R18-D21 PolarHBondContact O-N 3.04Å; R18-D21 VanDerWaalsContact O-N 3.09Å; D21-A24 PolarHBondContact O-N 3.17Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å |
| 22 | M | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 175.4 | -166 | -169.7 | -179.4 | 0 | 0 | 110.9 | A10 A13 E14 R18 Y19 C25 M26 L43 V46 A47 | A10-M22 HydrophobicContact CB-CG 4.03Å; A13-M22 HydrophobicContact CB-CB 3.97Å; E14-M22 HydrophobicContact CB-CE 3.96Å; E14-M22 HydrophobicContact CB-SD 3.93Å; E14-M22 HydrophobicContact CG-CE 4.18Å; E14-M22 HydrophobicContact CG-SD 4.37Å; R18-M22 PolarHBondContact O-N 3.02Å; Y19-M22 HydrophobicContact CD1-SD 4.05Å; Y19-M22 WeakPolarHBondContact O-CB 3.27Å; Y19-M22 PolarHBondContact O-N 3.43Å; M22-C25 PolarHBondContact O-N 2.71Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å |
| 23 | A | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y19 D20 C25 M26 K27 A47 Y48 V51 | Y19-A23 WeakPolarHBondContact O-CB 3.45Å; Y19-A23 PolarHBondContact O-N 3.45Å; D20-A23 PolarHBondContact O-N 3.43Å; A23-C25 PolarHBondContact O-N 3.4Å; A23-M26 PolarHBondContact O-N 2.86Å; A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; A23-A47 HydrophobicContact CB-CB 4.14Å; A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; A23-V51 HydrophobicContact CB-CG2 4.3Å |
| 24 | A | 98.3 | Very high | 97.9 | Very high | 56 Ų | 56 | 58.5 Ų | 58.5 | 46% | 0.463 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D20 D21 S28 | D20-A24 PolarHBondContact O-N 2.85Å; D21-A24 PolarHBondContact O-N 3.17Å; A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å |
| 25 | C | 98.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.128 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -48.9 | 175.2 | -66.8 | 0 | 0 | 0 | 0 | 111.3 | A10 D21 M22 A23 K27 S28 V29 | A10-C25 HydrophobicContact CB-CB 3.97Å; D21-C25 PolarHBondContact O-N 3.44Å; D21-C25 PolarHBondContact O-SG 3.15Å; M22-C25 PolarHBondContact O-N 2.71Å; A23-C25 PolarHBondContact O-N 3.4Å; C25-K27 PolarHBondContact O-N 3.09Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å |
| 26 | M | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.9 | -28.9 | -177.3 | -67 | -51.7 | -54.1 | 0 | 0 | 113.3 | A10 M22 A23 V29 T30 E40 L43 L44 | A10-M26 HydrophobicContact CB-CG 3.84Å; A10-M26 HydrophobicContact CB-SD 3.65Å; M22-M26 WeakPolarHBondContact O-CB 3.42Å; M22-M26 WeakPolarHBondContact O-CG 3.4Å; M22-M26 PolarHBondContact O-N 3.29Å; A23-M26 PolarHBondContact O-N 2.86Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å |
| 27 | K | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 51 Ų | 51 | 21% | 0.213 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.4 | -50.8 | 166.5 | -177.8 | 172.5 | -166.1 | 175.2 | 0 | 110.3 | A23 C25 V29 T30 E31 D96 L100 | A23-K27 WeakPolarHBondContact O-CB 3.27Å; A23-K27 PolarHBondContact O-N 3Å; C25-K27 PolarHBondContact O-N 3.09Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å |
| 28 | S | 98.3 | Very high | 97.7 | Very high | 53 Ų | 53 | 48.1 Ų | 48.1 | 37% | 0.371 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.4 | -32.2 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | A24 C25 Q32 | A24-S28 PolarHBondContact O-N 3.05Å; A24-S28 VanDerWaalsContact O-N 3.16Å; A24-S28 PolarHBondContact O-OG 2.7Å; C25-S28 WeakPolarHBondContact O-CB 3.19Å; C25-S28 PolarHBondContact O-N 2.96Å; S28-Q32 WeakPolarHBondContact O-CG 3.4Å |
| 29 | V | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.7 | -46.5 | 172.6 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | K3 L6 V7 C25 M26 K27 E31 Q32 L36 | K3-V29 HydrophobicContact CD-CG1 4.41Å; K3-V29 HydrophobicContact CG-CG1 4Å; K3-V29 HydrophobicContact CG-CG2 4.48Å; L6-V29 HydrophobicContact CB-CG2 3.44Å; L6-V29 VanDerWaalsContact CB-CG2 3.44Å; L6-V29 HydrophobicContact CD1-CG2 4.01Å; L6-V29 HydrophobicContact CG-CG2 4.37Å; V7-V29 HydrophobicContact CG2-CG1 4.42Å; V7-V29 HydrophobicContact CG2-CG2 3.98Å; C25-V29 WeakPolarHBondContact O-CG2 3.38Å; C25-V29 PolarHBondContact O-N 2.87Å; M26-V29 HydrophobicContact CE-CB 4.25Å; M26-V29 HydrophobicContact CE-CG1 4.19Å; M26-V29 PolarHBondContact O-N 3.36Å; M26-V29 HydrophobicContact SD-CG2 4.41Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.39Å; V29-E31 PolarHBondContact O-N 3.48Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; V29-L36 HydrophobicContact CG1-CD2 3.79Å |
| 30 | T | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.8 | -40.1 | -177.4 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | M26 K27 Q32 G33 L100 F104 L105 | M26-T30 WeakPolarHBondContact O-CB 3.33Å; M26-T30 PolarHBondContact O-N 3.07Å; M26-T30 PolarHBondContact O-OG1 3.02Å; K27-T30 PolarHBondContact O-N 3.46Å; K27-T30 VanDerWaalsContact O-N 3.1Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; T30-G33 PolarHBondContact O-N 2.97Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å |
| 31 | E | 98 | Very high | 97.6 | Very high | 93 Ų | 93 | 41.4 Ų | 41.4 | 44% | 0.435 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -8.1 | 179.9 | -70.5 | 175.6 | 161.9 | 0 | 0 | 113.7 | K27 V29 G33 L100 F104 | K27-E31 VanDerWaalsContact CE-OE1 3.32Å; K27-E31 WeakPolarHBondContact CE-OE1 3.49Å; K27-E31 HydrophobicContact CG-CG 4.45Å; K27-E31 WeakPolarHBondContact O-CG 3.43Å; K27-E31 PolarHBondContact O-N 3.3Å; V29-E31 PolarHBondContact O-N 3.48Å; E31-G33 PolarHBondContact O-N 3.22Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å |
| 32 | Q | 96.7 | Very high | 97.5 | Very high | 94 Ų | 94 | 42 Ų | 42 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.4 | 168.8 | -61.3 | 179.2 | 25.6 | 0 | 0 | 112.6 | S28 V29 T30 A34 | S28-Q32 WeakPolarHBondContact O-CG 3.4Å; V29-Q32 WeakPolarHBondContact O-CB 3.48Å; V29-Q32 PolarHBondContact O-N 3.45Å; T30-Q32 PolarHBondContact O-N 3.03Å; T30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å |
| 33 | G | 95.1 | Very high | 97.5 | Very high | 29 Ų | 29 | 42.4 Ų | 42.4 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | trans | 80.1 | 0.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | T30 E31 N108 | T30-G33 PolarHBondContact O-N 2.97Å; E31-G33 PolarHBondContact O-N 3.22Å; G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å | ||
| 34 | A | 95.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 45% | 0.446 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -78.6 | 146.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q32 L36 | Q32-A34 VanDerWaalsContact C-N 3.31Å; Q32-A34 PolarHBondContact O-N 2.66Å; A34-L36 PolarHBondContact O-N 3.37Å |
| 35 | E | 97.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.341 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -57.8 | 134.1 | 171.5 | -173 | 170.7 | -161.9 | 0 | 0 | 110.1 | A109 S110 | E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å |
| 36 | L | 98 | Very high | 97.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -77.9 | 141.5 | 178.8 | -60.6 | -171.1 | 0 | 0 | 0 | 110.5 | V29 A34 E40 R41 L44 L105 | V29-L36 HydrophobicContact CG1-CD2 3.79Å; A34-L36 PolarHBondContact O-N 3.37Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.41Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å |
| 37 | S | 97.1 | Very high | 97.5 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | P | Polyproline II helix | trans | -66.6 | 165.2 | 165.9 | 75.4 | 0 | 0 | 0 | 0 | 111 | E39 E40 R41 | S37-E39 PolarHBondContact O-N 3.25Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å |
| 38 | N | 95.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -57.2 | -38.1 | 175.9 | -73.6 | -4.5 | 0 | 0 | 0 | 112.3 | N42 | N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å |
| 39 | E | 96.6 | Very high | 97.5 | Very high | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -47.9 | 176.4 | -173.7 | -179.2 | -146.6 | 0 | 0 | 111.2 | K11 S37 R41 N42 L43 | K11-E39 VanDerWaalsContact CE-OE1 3.23Å; K11-E39 WeakPolarHBondContact CE-OE1 3.33Å; K11-E39 IonicContact NZ-OE1 3.43Å; K11-E39 PolarHBondContact NZ-OE1 3.46Å; K11-E39 IonicContact NZ-OE2 3.78Å; K11-E39 PolarHBondContact NZ-OE2 3.44Å; S37-E39 PolarHBondContact O-N 3.25Å; E39-R41 PolarHBondContact O-N 3.46Å; E39-N42 PolarHBondContact O-N 2.97Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å |
| 40 | E | 98.1 | Very high | 97.5 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 180 | -69.2 | 164.7 | 170.5 | 0 | 0 | 112 | K3 V7 M26 L36 S37 N42 L43 L44 | K3-E40 WeakPolarHBondContact CE-OE1 3.22Å; K3-E40 VanDerWaalsContact CE-OE2 3.29Å; K3-E40 WeakPolarHBondContact CE-OE2 3.28Å; K3-E40 IonicContact NZ-OE1 3.8Å; K3-E40 PolarHBondContact NZ-OE1 3.24Å; K3-E40 IonicContact NZ-OE2 3.36Å; K3-E40 PolarHBondContact NZ-OE2 3.39Å; V7-E40 HydrophobicContact CG2-CG 4.07Å; M26-E40 HydrophobicContact CE-CB 4.13Å; M26-E40 WeakPolarHBondContact CE-O 3.47Å; L36-E40 WeakPolarHBondContact CA-OE2 3.5Å; L36-E40 HydrophobicContact CB-CB 3.94Å; L36-E40 HydrophobicContact CD1-CB 4.48Å; L36-E40 HydrophobicContact CD2-CB 4.23Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 3.3Å; S37-E40 PolarHBondContact O-N 2.99Å; S37-E40 WeakPolarHBondContact OG-CG 3.37Å; S37-E40 PolarHBondContact OG-N 2.99Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; E40-L43 PolarHBondContact O-N 2.81Å; E40-L44 PolarHBondContact O-N 2.9Å |
| 41 | R | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 4% | 0.038 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.9 | -45.6 | 173.2 | 178.1 | -170.2 | 76.5 | -171.5 | 1.5 | 111.4 | L36 S37 E39 L44 S45 E113 F117 Y118 | L36-R41 HydrophobicContact CB-CB 4.41Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.38Å; S37-R41 PolarHBondContact O-N 3.05Å; E39-R41 PolarHBondContact O-N 3.46Å; R41-L44 PolarHBondContact O-N 3Å; R41-S45 PolarHBondContact O-N 3.27Å; R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; R41-Y118 HydrophobicContact CG-CE1 3.68Å |
| 42 | N | 96.8 | Very high | 97.5 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.5 | -41.7 | 179.5 | -70.9 | -9.6 | 0 | 0 | 0 | 111.2 | N38 E39 E40 L44 S45 V46 | N38-N42 WeakPolarHBondContact O-CB 3.37Å; N38-N42 PolarHBondContact O-N 3.33Å; N38-N42 PolarHBondContact O-ND2 2.82Å; N38-N42 PolarHBondContact O-OD1 2.86Å; E39-N42 PolarHBondContact O-N 2.97Å; E40-N42 VanDerWaalsContact C-N 3.32Å; E40-N42 PolarHBondContact O-N 3.17Å; N42-L44 PolarHBondContact O-N 3.18Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å |
| 43 | L | 98.4 | Very high | 97.6 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.047 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 174.1 | -72.1 | 169.4 | 0 | 0 | 0 | 111.6 | V7 K11 E14 M22 M26 E39 E40 S45 V46 A47 | V7-L43 HydrophobicContact CG1-CD1 3.88Å; K11-L43 HydrophobicContact CG-CD1 4.08Å; K11-L43 HydrophobicContact CG-CD2 4.14Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.43Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.45Å; M22-L43 VanDerWaalsContact CE-CD2 3.45Å; M22-L43 HydrophobicContact CE-CG 4.29Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.14Å; M26-L43 HydrophobicContact CG-CB 4.24Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L43 HydrophobicContact SD-CD1 4.41Å; E39-L43 HydrophobicContact CG-CD1 4.35Å; E39-L43 WeakPolarHBondContact O-CG 3.38Å; E39-L43 PolarHBondContact O-N 3.01Å; E40-L43 PolarHBondContact O-N 2.81Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; L43-V46 PolarHBondContact O-N 3.48Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å |
| 44 | L | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 176 | 179.9 | 73.8 | 0 | 0 | 0 | 111.3 | M26 L36 E40 R41 N42 A47 Y48 L100 L105 | M26-L44 HydrophobicContact CB-CB 4.21Å; M26-L44 HydrophobicContact CB-CD1 3.62Å; M26-L44 HydrophobicContact CE-CB 4.3Å; L36-L44 HydrophobicContact CD1-CD2 4.1Å; E40-L44 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 3Å; N42-L44 PolarHBondContact O-N 3.18Å; L44-A47 PolarHBondContact O-N 3.15Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å |
| 45 | S | 98.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 41 Ų | 41 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -47.8 | 179.4 | -171.2 | 0 | 0 | 0 | 0 | 112.3 | R41 N42 L43 A47 K49 | R41-S45 PolarHBondContact O-N 3.27Å; N42-S45 WeakPolarHBondContact O-CB 3.13Å; N42-S45 PolarHBondContact O-N 3.04Å; L43-S45 VanDerWaalsContact C-N 3.29Å; L43-S45 PolarHBondContact O-N 3.01Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å |
| 46 | V | 98.3 | Very high | 97.9 | Very high | 48 Ų | 48 | 39 Ų | 39 | 29% | 0.291 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.4 | -44.5 | 177.8 | 169.3 | 0 | 0 | 0 | 0 | 111 | Y19 M22 N42 L43 N50 | Y19-V46 HydrophobicContact CE1-CG1 4.29Å; M22-V46 HydrophobicContact CE-CB 4.15Å; M22-V46 HydrophobicContact CE-CG1 4.1Å; M22-V46 HydrophobicContact SD-CG1 4.31Å; N42-V46 WeakPolarHBondContact O-CG2 3.42Å; N42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 3.48Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å |
| 47 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -55.9 | -60.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | M22 A23 L43 L44 S45 K49 N50 V51 | M22-A47 HydrophobicContact CB-CB 3.87Å; M22-A47 HydrophobicContact CE-CB 4.26Å; M22-A47 HydrophobicContact CG-CB 3.59Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å; A23-A47 HydrophobicContact CB-CB 4.14Å; L43-A47 WeakPolarHBondContact O-CB 3.24Å; L43-A47 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.15Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.68Å; A47-K49 PolarHBondContact O-N 2.87Å; A47-N50 PolarHBondContact O-N 3.28Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å |
| 48 | Y | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 42.3 Ų | 42.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.5 | -28.7 | -174.5 | -81.3 | -74.4 | 0 | 0 | 0 | 113.1 | A23 L44 V52 I93 V97 L100 Y125 | A23-Y48 HydrophobicContact CB-CD1 4.17Å; A23-Y48 HydrophobicContact CB-CD2 4.34Å; A23-Y48 HydrophobicContact CB-CE1 4.02Å; A23-Y48 HydrophobicContact CB-CE2 4.16Å; A23-Y48 HydrophobicContact CB-CG 4.35Å; L44-Y48 HydrophobicContact CD1-CD2 3.63Å; L44-Y48 HydrophobicContact CD1-CE2 3.53Å; L44-Y48 HydrophobicContact CG-CD2 4.2Å; L44-Y48 PolarHBondContact O-N 3.08Å; L44-Y48 VanDerWaalsContact O-N 3.15Å; Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; Y48-I93 HydrophobicContact CD1-CG2 4.16Å; Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å |
| 49 | K | 98 | Very high | 98.1 | Very high | 140 Ų | 140 | 40 Ų | 40 | 61% | 0.609 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -61.9 | -43.7 | 173.8 | 179.3 | -176 | 176 | -173.7 | 0 | 111.1 | S45 A47 G53 Y125 | S45-K49 WeakPolarHBondContact O-CB 3.31Å; S45-K49 PolarHBondContact O-N 3.36Å; A47-K49 PolarHBondContact O-N 2.87Å; K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; K49-Y125 PolarHBondContact N-OH 3.25Å |
| 50 | N | 98.3 | Very high | 98.2 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -71.7 | -42.8 | 179.1 | -79.2 | -72.7 | 0 | 0 | 0 | 112 | Y19 V46 A47 G53 A54 | Y19-N50 HydrophobicContact CD1-CB 3.57Å; Y19-N50 HydrophobicContact CD2-CB 3.44Å; Y19-N50 VanDerWaalsContact CD2-CB 3.44Å; Y19-N50 HydrophobicContact CE1-CB 3.91Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.19Å; Y19-N50 HydrophobicContact CE2-CB 3.79Å; Y19-N50 HydrophobicContact CG-CB 3.31Å; V46-N50 PolarHBondContact O-N 2.93Å; V46-N50 VanDerWaalsContact O-N 3.14Å; V46-N50 PolarHBondContact O-ND2 3.16Å; A47-N50 PolarHBondContact O-N 3.28Å; N50-G53 PolarHBondContact O-N 3.45Å; N50-A54 PolarHBondContact O-N 3.23Å |
| 51 | V | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | 177.3 | 173.8 | 0 | 0 | 0 | 0 | 111.3 | Y19 A23 A47 R55 I93 | Y19-V51 VanDerWaalsContact C-CG2 3.42Å; Y19-V51 WeakPolarHBondContact O-CG2 3.4Å; A23-V51 HydrophobicContact CB-CG2 4.3Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 2.97Å; A47-V51 VanDerWaalsContact O-N 3.1Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å |
| 52 | V | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70 | -37.1 | 178.8 | 77.6 | 0 | 0 | 0 | 0 | 111.8 | Y48 A54 R55 R56 L90 I93 Y125 Y128 | Y48-V52 WeakPolarHBondContact O-CB 3.43Å; Y48-V52 VanDerWaalsContact O-CG1 3.23Å; Y48-V52 WeakPolarHBondContact O-CG1 3.33Å; Y48-V52 PolarHBondContact O-N 2.82Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; V52-R55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; V52-L90 HydrophobicContact CG2-CG 4.36Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å |
| 53 | G | 98 | Very high | 98.2 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 24% | 0.237 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K49 N50 R55 R56 S57 | K49-G53 WeakPolarHBondContact O-CA 3.35Å; K49-G53 PolarHBondContact O-N 3.16Å; N50-G53 PolarHBondContact O-N 3.45Å; G53-R55 PolarHBondContact O-N 3.28Å; G53-R56 PolarHBondContact O-N 2.89Å; G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å |
| 54 | A | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.6 | -45 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | N50 V52 S57 S58 | N50-A54 PolarHBondContact O-N 3.23Å; V52-A54 VanDerWaalsContact C-N 3.35Å; V52-A54 PolarHBondContact O-N 3.4Å; A54-S57 PolarHBondContact O-N 3.2Å; A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å |
| 55 | R | 98.4 | Very high | 98.1 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 23% | 0.226 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 178.2 | -87.7 | 66.3 | -178.2 | -165.1 | -3.4 | 111.8 | D20 V51 V52 G53 S57 S58 W59 I86 E89 L90 I93 | D20-R55 IonicContact OD1-CZ 3.86Å; D20-R55 IonicContact OD1-NH1 2.72Å; D20-R55 PolarHBondContact OD1-NH1 3.38Å; D20-R55 IonicContact OD1-NH2 3.12Å; D20-R55 IonicContact OD2-NH1 2.83Å; V51-R55 WeakPolarHBondContact O-CD 3.41Å; V51-R55 PolarHBondContact O-N 3.36Å; V52-R55 PolarHBondContact O-N 3.49Å; G53-R55 PolarHBondContact O-N 3.28Å; R55-S57 PolarHBondContact O-N 3.23Å; R55-S58 PolarHBondContact O-N 3.5Å; R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R55-I93 HydrophobicContact CG-CD1 3.93Å |
| 56 | R | 98 | Very high | 98.1 | Very high | 30 Ų | 30 | 45 Ų | 45 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.5 | -73 | 178.3 | 74.4 | -130.6 | 10.9 | 112.3 | V52 G53 W59 R60 L90 Y128 E131 | V52-R56 HydrophobicContact CG2-CG 4.4Å; V52-R56 WeakPolarHBondContact O-CG 3.44Å; V52-R56 PolarHBondContact O-N 3.13Å; G53-R56 PolarHBondContact O-N 2.89Å; R56-W59 PolarHBondContact O-N 2.87Å; R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å |
| 57 | S | 98.3 | Very high | 97.9 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 48% | 0.483 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 176.1 | -66.9 | 0 | 0 | 0 | 0 | 111.6 | G53 A54 R55 W59 R60 V61 | G53-S57 PolarHBondContact O-N 3.43Å; G53-S57 PolarHBondContact O-OG 3.45Å; A54-S57 PolarHBondContact O-N 3.2Å; R55-S57 PolarHBondContact O-N 3.23Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; S57-R60 PolarHBondContact O-N 3.03Å; S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å |
| 58 | S | 98.5 | Very high | 97.8 | Very high | 57 Ų | 57 | 57.5 Ų | 57.5 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -45 | 174.8 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | A54 R55 R60 V61 V62 | A54-S58 PolarHBondContact O-N 3.39Å; A54-S58 PolarHBondContact O-OG 3.26Å; A54-S58 VanDerWaalsContact O-OG 3.14Å; R55-S58 PolarHBondContact O-N 3.5Å; S58-R60 PolarHBondContact O-N 2.88Å; S58-V61 PolarHBondContact O-N 2.86Å; S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å |
| 59 | W | 98.4 | Very high | 97.6 | Very high | 37 Ų | 37 | 58.3 Ų | 58.3 | 14% | 0.14 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 178.9 | 178.1 | 80.6 | 0 | 0 | 0 | 112.3 | R55 R56 S57 V61 V62 S63 I86 E87 E131 V132 | R55-W59 WeakPolarHBondContact O-CB 3.49Å; R55-W59 PolarHBondContact O-N 2.94Å; R56-W59 PolarHBondContact O-N 2.87Å; S57-W59 VanDerWaalsContact C-N 3.34Å; S57-W59 PolarHBondContact O-N 3.24Å; W59-V61 PolarHBondContact O-N 2.87Å; W59-V62 PolarHBondContact O-N 3.33Å; W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å |
| 60 | R | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 59.3 Ų | 59.3 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 177.4 | -73.1 | -174.4 | -178.2 | 106.3 | -3.6 | 112.5 | R56 S57 S58 S64 E131 | R56-R60 VanDerWaalsContact CZ-NH2 3.32Å; R56-R60 WeakPolarHBondContact O-CG 3.49Å; R56-R60 PolarHBondContact O-N 3.28Å; S57-R60 PolarHBondContact O-N 3.03Å; S58-R60 PolarHBondContact O-N 2.88Å; R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å |
| 61 | V | 98.3 | Very high | 96.8 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 53% | 0.533 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62 | -48.9 | 178.4 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | S57 S58 W59 S64 I65 | S57-V61 WeakPolarHBondContact O-CG2 3.49Å; S57-V61 PolarHBondContact O-N 3.19Å; S57-V61 VanDerWaalsContact O-N 3.17Å; S58-V61 PolarHBondContact O-N 2.86Å; W59-V61 PolarHBondContact O-N 2.87Å; V61-S64 PolarHBondContact O-N 3.43Å; V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å |
| 62 | V | 98.2 | Very high | 96.6 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.079 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68 | -37.9 | -178 | 179.1 | 0 | 0 | 0 | 0 | 111.4 | S58 W59 S64 I65 E66 A79 Y82 R83 I86 | S58-V62 VanDerWaalsContact O-CG2 3.29Å; S58-V62 WeakPolarHBondContact O-CG2 3.25Å; S58-V62 PolarHBondContact O-N 3.3Å; W59-V62 PolarHBondContact O-N 3.33Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; V62-E66 PolarHBondContact O-N 3.41Å; V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; V62-R83 HydrophobicContact CG1-CB 3.93Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å |
| 63 | S | 96.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 12% | 0.119 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 174 | -59 | 0 | 0 | 0 | 0 | 111.7 | W59 I65 E66 Q67 R83 | W59-S63 VanDerWaalsContact O-CB 3.27Å; W59-S63 WeakPolarHBondContact O-CB 3.39Å; W59-S63 PolarHBondContact O-N 2.89Å; W59-S63 PolarHBondContact O-OG 2.89Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; S63-E66 PolarHBondContact O-N 3.36Å; S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å |
| 64 | S | 97.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 76.6 Ų | 76.6 | 27% | 0.273 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 173.8 | -175 | 0 | 0 | 0 | 0 | 112.4 | R60 V61 V62 K68 | R60-S64 WeakPolarHBondContact O-CB 3.41Å; R60-S64 PolarHBondContact O-N 3.35Å; V61-S64 PolarHBondContact O-N 3.43Å; V62-S64 VanDerWaalsContact C-N 3.33Å; V62-S64 PolarHBondContact O-N 3.26Å; S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å |
| 65 | I | 97.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 80.9 Ų | 80.9 | 43% | 0.431 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 175 | -67.7 | 165.5 | 0 | 0 | 0 | 111 | V61 V62 S63 Q67 K68 T69 A79 | V61-I65 HydrophobicContact CG1-CD1 3.92Å; V61-I65 WeakPolarHBondContact O-CG1 3.25Å; V61-I65 PolarHBondContact O-N 3.03Å; V62-I65 WeakPolarHBondContact O-CB 3.36Å; V62-I65 PolarHBondContact O-N 3.21Å; V62-I65 VanDerWaalsContact O-N 3.14Å; S63-I65 VanDerWaalsContact C-N 3.34Å; S63-I65 PolarHBondContact O-N 3.32Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; I65-K68 PolarHBondContact O-N 3.42Å; I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; I65-A79 HydrophobicContact CG2-CB 4.2Å |
| 66 | E | 96.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 10% | 0.098 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 175.9 | -175.8 | -178.8 | 174.6 | 0 | 0 | 110.7 | V62 S63 T69 Q76 A79 R80 R83 | V62-E66 PolarHBondContact O-N 3.41Å; S63-E66 PolarHBondContact O-N 3.36Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; E66-Q76 HydrophobicContact CG-CG 4.04Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å |
| 67 | Q | 95.6 | Very high | 96.1 | Very high | 143 Ų | 143 | 82.7 Ų | 82.7 | 67% | 0.668 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -61.5 | -45.5 | 176.7 | -71.2 | 174.2 | -8.6 | 0 | 0 | 112.2 | S63 I65 T69 E70 | S63-Q67 WeakPolarHBondContact O-CG 3.48Å; S63-Q67 PolarHBondContact O-N 2.83Å; S63-Q67 VanDerWaalsContact O-N 3.08Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.16Å; Q67-T69 PolarHBondContact O-N 3.29Å; Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å |
| 68 | K | 96.4 | Very high | 96.1 | Very high | 167 Ų | 167 | 84.9 Ų | 84.9 | 73% | 0.726 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -71.9 | -11.6 | -179.2 | -71.7 | 171.3 | -178.2 | 167.4 | 0 | 114.4 | S64 I65 | S64-K68 WeakPolarHBondContact O-CB 3.4Å; S64-K68 VanDerWaalsContact O-CG 3.28Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.48Å; S64-K68 WeakPolarHBondContact OG-CE 3.49Å; S64-K68 PolarHBondContact OG-NZ 3.42Å; I65-K68 PolarHBondContact O-N 3.42Å |
| 69 | T | 93.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 82.7 Ų | 82.7 | 15% | 0.153 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 12.3 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 112.7 | I65 E66 Q67 G71 A72 K75 Q76 | I65-T69 HydrophobicContact CG2-CG2 4.28Å; I65-T69 WeakPolarHBondContact O-CB 3.25Å; I65-T69 WeakPolarHBondContact O-CG2 3.37Å; I65-T69 PolarHBondContact O-N 3.35Å; I65-T69 PolarHBondContact O-OG1 3.18Å; E66-T69 PolarHBondContact O-N 3.28Å; E66-T69 PolarHBondContact O-OG1 2.7Å; E66-T69 VanDerWaalsContact O-OG1 3.05Å; Q67-T69 PolarHBondContact O-N 3.29Å; T69-G71 PolarHBondContact O-N 3.35Å; T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; T69-K75 HydrophobicContact CG2-CB 4.03Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å |
| 70 | E | 88.8 | Confident | 96 | Very high | 161 Ų | 161 | 85.3 Ų | 85.3 | 75% | 0.752 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 129.8 | 170.8 | -169.7 | 171.1 | -160.8 | 0 | 0 | 111.2 | Q67 A72 | Q67-E70 WeakPolarHBondContact O-CB 3.36Å; Q67-E70 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å |
| 71 | G | 91.3 | Very high | 96 | Very high | 75 Ų | 75 | 85.8 Ų | 85.8 | 77% | 0.773 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -12.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T69 | T69-G71 PolarHBondContact O-N 3.35Š|
| 72 | A | 94.5 | Very high | 96 | Very high | 40 Ų | 40 | 87.7 Ų | 87.7 | 33% | 0.331 | 43% | 0.434 | S | S | . | . | trans | -106 | 71.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | T69 E70 K74 K75 Q76 | T69-A72 WeakPolarHBondContact O-CA 3.29Å; T69-A72 WeakPolarHBondContact O-CB 3.24Å; T69-A72 PolarHBondContact O-N 3.19Å; E70-A72 VanDerWaalsContact C-N 3.34Å; A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; A72-Q76 PolarHBondContact O-N 2.77Å | ||
| 73 | E | 93.8 | Very high | 96 | Very high | 166 Ų | 166 | 89.2 Ų | 89.2 | 78% | 0.776 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -40.7 | -52 | -168.7 | -65.9 | -179.1 | 173.7 | 0 | 0 | 114.5 | K75 Q76 Q77 | E73-K75 PolarHBondContact O-N 2.71Å; E73-Q76 PolarHBondContact O-N 2.89Å; E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å |
| 74 | K | 96 | Very high | 96.1 | Very high | 169 Ų | 169 | 92.6 Ų | 92.6 | 74% | 0.735 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.1 | -40.9 | -179.1 | -174.1 | 176.1 | -179.4 | 178 | 0 | 112.8 | A72 M78 | A72-K74 VanDerWaalsContact C-N 3.33Å; A72-K74 PolarHBondContact O-N 3.44Å; K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å |
| 75 | K | 95.8 | Very high | 96.1 | Very high | 142 Ų | 142 | 96.3 Ų | 96.3 | 62% | 0.617 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71 | -41.7 | 179.1 | -70.9 | -176.1 | 176.9 | 178.7 | 0 | 110.8 | T69 A72 E73 M78 A79 | T69-K75 HydrophobicContact CG2-CB 4.03Å; A72-K75 HydrophobicContact CB-CB 4.19Å; A72-K75 HydrophobicContact CB-CD 4.36Å; A72-K75 WeakPolarHBondContact O-CA 3.32Å; A72-K75 PolarHBondContact O-N 2.93Å; E73-K75 PolarHBondContact O-N 2.71Å; K75-M78 PolarHBondContact O-N 3.14Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å |
| 76 | Q | 97.1 | Very high | 96.1 | Very high | 44 Ų | 44 | 92.5 Ų | 92.5 | 21% | 0.206 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 177.1 | -168.2 | 177.2 | 25.7 | 0 | 0 | 111.2 | E66 T69 A72 E73 M78 A79 R80 | E66-Q76 HydrophobicContact CG-CG 4.04Å; T69-Q76 WeakPolarHBondContact OG1-CA 3.33Å; A72-Q76 PolarHBondContact O-N 2.77Å; E73-Q76 PolarHBondContact O-N 2.89Å; Q76-M78 PolarHBondContact O-N 3.4Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å |
| 77 | Q | 97.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 92.4 Ų | 92.4 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.3 | -177.4 | 59.4 | 27.9 | 0 | 0 | 112 | E73 A79 R80 E81 | E73-Q77 WeakPolarHBondContact O-CB 3.5Å; E73-Q77 PolarHBondContact O-N 3.27Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å |
| 78 | M | 97.7 | Very high | 96.3 | Very high | 115 Ų | 115 | 88.8 Ų | 88.8 | 57% | 0.567 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.8 | -39.9 | 176 | -71.3 | 174.6 | 66.9 | 0 | 0 | 112.4 | K74 K75 Q76 Y82 | K74-M78 HydrophobicContact CG-SD 4.44Å; K74-M78 VanDerWaalsContact O-CG 3.27Å; K74-M78 WeakPolarHBondContact O-CG 3.5Å; K74-M78 PolarHBondContact O-N 3.23Å; K74-M78 VanDerWaalsContact O-N 3.14Å; K75-M78 PolarHBondContact O-N 3.14Å; Q76-M78 PolarHBondContact O-N 3.4Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å |
| 79 | A | 97.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 83.7 Ų | 83.7 | 8% | 0.083 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V62 I65 E66 K75 Q76 Q77 Y82 R83 | V62-A79 VanDerWaalsContact CG1-O 3.27Å; V62-A79 WeakPolarHBondContact CG1-O 3.44Å; I65-A79 HydrophobicContact CG2-CB 4.2Å; E66-A79 HydrophobicContact CB-CB 3.83Å; E66-A79 HydrophobicContact CG-CB 4.38Å; K75-A79 WeakPolarHBondContact O-CB 3.43Å; K75-A79 PolarHBondContact O-N 3.1Å; Q76-A79 PolarHBondContact O-N 3.33Å; Q77-A79 VanDerWaalsContact C-N 3.32Å; Q77-A79 PolarHBondContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å |
| 80 | R | 97.6 | Very high | 96.6 | Very high | 93 Ų | 93 | 82.5 Ų | 82.5 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.8 | -52.4 | 175.8 | -178.8 | 176.6 | -63.8 | 176.1 | 2.7 | 112.4 | E66 Q76 Q77 Y82 R83 E84 | E66-R80 HydrophobicContact CG-CB 4.45Å; E66-R80 WeakPolarHBondContact OE1-CB 3.37Å; E66-R80 IonicContact OE1-CZ 3.91Å; E66-R80 IonicContact OE1-NE 3.57Å; E66-R80 PolarHBondContact OE1-NE 3.05Å; E66-R80 IonicContact OE1-NH2 3.75Å; Q76-R80 WeakPolarHBondContact O-CB 3.32Å; Q76-R80 PolarHBondContact O-N 2.92Å; Q77-R80 WeakPolarHBondContact O-CB 3.37Å; Q77-R80 PolarHBondContact O-N 2.92Å; R80-Y82 PolarHBondContact O-N 2.95Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å |
| 81 | E | 98.1 | Very high | 97 | Very high | 106 Ų | 106 | 79.2 Ų | 79.2 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.9 | -39.2 | 179.4 | -73.3 | 170.2 | -172.1 | 0 | 0 | 111.3 | Q77 K85 | Q77-E81 WeakPolarHBondContact CG-OE1 3.48Å; Q77-E81 PolarHBondContact NE2-OE1 3.02Å; Q77-E81 WeakPolarHBondContact O-CG 3.08Å; Q77-E81 PolarHBondContact O-N 3.35Å; E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å |
| 82 | Y | 98.2 | Very high | 97.3 | Very high | 127 Ų | 127 | 80 Ų | 80 | 50% | 0.498 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -72.8 | -36.3 | 177.3 | -164.5 | -123.4 | 0 | 0 | 0 | 112.6 | V62 M78 A79 R80 K85 I86 | V62-Y82 HydrophobicContact CG1-CD1 4.03Å; V62-Y82 HydrophobicContact CG2-CD1 3.64Å; V62-Y82 HydrophobicContact CG2-CE1 3.9Å; M78-Y82 WeakPolarHBondContact O-CB 3.35Å; M78-Y82 PolarHBondContact O-N 3.24Å; M78-Y82 VanDerWaalsContact O-N 3.17Å; A79-Y82 PolarHBondContact O-N 2.85Å; R80-Y82 PolarHBondContact O-N 2.95Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å |
| 83 | R | 97.8 | Very high | 97.5 | Very high | 46 Ų | 46 | 79.2 Ų | 79.2 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.3 | -51.1 | 171.6 | -178.9 | -176.9 | 53.9 | 78.2 | 5.4 | 110.4 | V62 S63 E66 A79 R80 K85 I86 E87 | V62-R83 HydrophobicContact CG1-CB 3.93Å; S63-R83 WeakPolarHBondContact OG-CD 3.17Å; E66-R83 IonicContact OE1-NH2 3.18Å; E66-R83 WeakPolarHBondContact OE2-CD 3.36Å; E66-R83 IonicContact OE2-CZ 3.53Å; E66-R83 IonicContact OE2-NE 3.24Å; E66-R83 PolarHBondContact OE2-NE 3.42Å; E66-R83 IonicContact OE2-NH2 2.74Å; A79-R83 WeakPolarHBondContact O-CB 3.33Å; A79-R83 PolarHBondContact O-N 3.37Å; R80-R83 WeakPolarHBondContact O-CB 3.31Å; R80-R83 PolarHBondContact O-N 2.61Å; R80-R83 VanDerWaalsContact O-N 3.09Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å |
| 84 | E | 97.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 71.3 Ų | 71.3 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.4 | -35.2 | -178.9 | -71.6 | 172 | -177.1 | 0 | 0 | 112.4 | R80 E87 T88 | R80-E84 HydrophobicContact CG-CG 4.49Å; R80-E84 WeakPolarHBondContact CG-OE1 3.16Å; R80-E84 WeakPolarHBondContact O-CG 3.23Å; R80-E84 PolarHBondContact O-N 2.89Å; E84-E87 PolarHBondContact O-N 3.23Å; E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å |
| 85 | K | 98.4 | Very high | 97.8 | Very high | 117 Ų | 117 | 66.9 Ų | 66.9 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 170.5 | -179 | -179 | 174.6 | -179.1 | 0 | 111.5 | E81 Y82 R83 E87 T88 E89 | E81-K85 PolarHBondContact O-N 3.03Å; E81-K85 VanDerWaalsContact O-N 3.12Å; Y82-K85 HydrophobicContact CD2-CD 4.37Å; Y82-K85 HydrophobicContact CE2-CD 4.37Å; Y82-K85 PolarHBondContact O-N 2.93Å; R83-K85 VanDerWaalsContact C-N 3.28Å; R83-K85 PolarHBondContact O-N 3.41Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å |
| 86 | I | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.5 | -38 | 179.5 | -62.1 | 163.1 | 0 | 0 | 0 | 110.9 | R55 W59 V62 Y82 R83 T88 E89 L90 | R55-I86 HydrophobicContact CB-CG2 4.33Å; R55-I86 HydrophobicContact CG-CG2 4.49Å; R55-I86 WeakPolarHBondContact O-CG2 3.29Å; W59-I86 HydrophobicContact CB-CG2 3.74Å; V62-I86 HydrophobicContact CB-CD1 4.23Å; V62-I86 HydrophobicContact CG2-CD1 3.75Å; Y82-I86 HydrophobicContact CD1-CD1 4.07Å; Y82-I86 HydrophobicContact CE1-CD1 3.92Å; Y82-I86 WeakPolarHBondContact O-CG1 3.37Å; Y82-I86 PolarHBondContact O-N 3.24Å; Y82-I86 VanDerWaalsContact O-N 3.14Å; R83-I86 WeakPolarHBondContact O-CB 3.23Å; R83-I86 PolarHBondContact O-N 3Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; I86-E89 PolarHBondContact O-N 3.37Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å |
| 87 | E | 97.7 | Very high | 98 | Very high | 20 Ų | 20 | 61.3 Ų | 61.3 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -38 | 175.1 | -69.8 | 175.5 | 172.7 | 0 | 0 | 112.2 | W59 R83 E84 K85 R91 V132 | W59-E87 VanDerWaalsContact CD1-CG 3.46Å; W59-E87 VanDerWaalsContact NE1-CG 3.3Å; W59-E87 PolarHBondContact NE1-OE1 2.86Å; R83-E87 HydrophobicContact CG-CG 4.42Å; R83-E87 IonicContact CZ-OE1 2.76Å; R83-E87 IonicContact NH1-OE1 3.68Å; R83-E87 PolarHBondContact NH1-OE1 3.05Å; R83-E87 IonicContact NH1-OE2 3.27Å; R83-E87 PolarHBondContact NH1-OE2 3.47Å; R83-E87 VanDerWaalsContact NH1-OE2 3.12Å; R83-E87 WeakPolarHBondContact O-CG 3.5Å; R83-E87 PolarHBondContact O-N 3.32Å; E84-E87 PolarHBondContact O-N 3.23Å; K85-E87 VanDerWaalsContact C-N 3.31Å; K85-E87 PolarHBondContact O-N 2.86Å; E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å |
| 88 | T | 97.8 | Very high | 98.1 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 41% | 0.405 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -49.3 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | E84 K85 I86 L90 R91 D92 | E84-T88 PolarHBondContact O-N 3.42Å; E84-T88 PolarHBondContact O-OG1 3.44Å; K85-T88 WeakPolarHBondContact O-CB 3.41Å; K85-T88 PolarHBondContact O-N 3.18Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 3.03Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; T88-R91 PolarHBondContact O-N 3.46Å; T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å |
| 89 | E | 98.2 | Very high | 98.1 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 175.8 | -66.7 | 176.9 | -163.5 | 0 | 0 | 111.9 | R55 K85 I86 R91 D92 I93 | R55-E89 HydrophobicContact CG-CB 4.19Å; R55-E89 IonicContact NE-OE2 3.7Å; R55-E89 PolarHBondContact NE-OE2 2.92Å; K85-E89 VanDerWaalsContact CE-OE1 3.28Å; K85-E89 WeakPolarHBondContact CE-OE1 3.36Å; K85-E89 PolarHBondContact O-N 2.87Å; K85-E89 VanDerWaalsContact O-N 3.07Å; I86-E89 PolarHBondContact O-N 3.37Å; E89-R91 PolarHBondContact O-N 2.94Å; E89-D92 PolarHBondContact O-N 3.41Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å |
| 90 | L | 98 | Very high | 98.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 178.1 | -173.3 | 153.7 | 0 | 0 | 0 | 111.2 | V52 R55 R56 I86 T88 I93 C94 L129 V132 | V52-L90 HydrophobicContact CG2-CG 4.36Å; R55-L90 HydrophobicContact CB-CB 4.39Å; R56-L90 HydrophobicContact CB-CD1 4.48Å; R56-L90 HydrophobicContact CG-CD1 3.48Å; R56-L90 VanDerWaalsContact CG-CD1 3.48Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 3.21Å; T88-L90 VanDerWaalsContact C-N 3.33Å; T88-L90 PolarHBondContact O-N 3.27Å; L90-I93 PolarHBondContact O-N 3.45Å; L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; L90-L129 HydrophobicContact CD2-CD2 4.48Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å |
| 91 | R | 97.8 | Very high | 98.2 | Very high | 92 Ų | 92 | 49 Ų | 49 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 178 | -174.7 | -177.6 | -57 | 99.8 | 3.2 | 111.4 | E87 T88 E89 C94 N95 L129 | E87-R91 VanDerWaalsContact O-CB 3.26Å; E87-R91 WeakPolarHBondContact O-CB 3.41Å; E87-R91 PolarHBondContact O-N 3.45Å; T88-R91 PolarHBondContact O-N 3.46Å; E89-R91 PolarHBondContact O-N 2.94Å; R91-C94 PolarHBondContact O-N 3.28Å; R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å |
| 92 | D | 98.3 | Very high | 98.3 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 49% | 0.492 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 178.6 | -67.3 | -17.2 | 0 | 0 | 0 | 111.1 | T88 E89 C94 N95 D96 | T88-D92 VanDerWaalsContact O-CG 3.26Å; T88-D92 PolarHBondContact O-N 3.48Å; E89-D92 PolarHBondContact O-N 3.41Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; D92-N95 PolarHBondContact O-N 2.86Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å |
| 93 | I | 98.4 | Very high | 98.3 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 11% | 0.113 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 176 | -66.6 | 156.2 | 0 | 0 | 0 | 111 | Y48 V51 V52 R55 E89 L90 D96 V97 | Y48-I93 HydrophobicContact CD1-CG2 4.16Å; V51-I93 HydrophobicContact CG1-CD1 3.62Å; V51-I93 HydrophobicContact CG1-CG1 3.92Å; V51-I93 HydrophobicContact CG1-CG2 4.03Å; V52-I93 HydrophobicContact CB-CG2 4.11Å; V52-I93 HydrophobicContact CG2-CG2 4.43Å; R55-I93 HydrophobicContact CG-CD1 3.93Å; E89-I93 VanDerWaalsContact O-CD1 3.29Å; E89-I93 WeakPolarHBondContact O-CD1 3.46Å; E89-I93 VanDerWaalsContact O-CG1 3.24Å; E89-I93 WeakPolarHBondContact O-CG1 2.99Å; E89-I93 PolarHBondContact O-N 3.39Å; L90-I93 PolarHBondContact O-N 3.45Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å |
| 94 | C | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.7 | -44.6 | -179.1 | -65.6 | 0 | 0 | 0 | 0 | 111.7 | L90 R91 D92 D96 V97 L98 Y125 L129 | L90-C94 WeakPolarHBondContact O-CB 3.47Å; L90-C94 PolarHBondContact O-N 3.31Å; L90-C94 PolarHBondContact O-SG 2.79Å; R91-C94 PolarHBondContact O-N 3.28Å; D92-C94 VanDerWaalsContact C-N 3.34Å; D92-C94 PolarHBondContact O-N 2.77Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; C94-V97 PolarHBondContact O-N 3Å; C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å |
| 95 | N | 98.3 | Very high | 98.3 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.1 | -34.9 | 178.7 | -74.9 | -25.9 | 0 | 0 | 0 | 112.5 | R91 D92 L98 S99 | R91-N95 WeakPolarHBondContact O-CB 3.28Å; R91-N95 VanDerWaalsContact O-CG 3.3Å; R91-N95 PolarHBondContact O-N 2.86Å; R91-N95 PolarHBondContact O-ND2 2.56Å; D92-N95 PolarHBondContact O-N 2.86Å; N95-L98 PolarHBondContact O-N 2.93Å; N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å |
| 96 | D | 98.2 | Very high | 98.3 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 172 | -100.7 | 1.9 | 0 | 0 | 0 | 111.3 | K27 D92 I93 C94 S99 L100 | K27-D96 IonicContact NZ-OD1 2.7Å; K27-D96 PolarHBondContact NZ-OD1 3.19Å; K27-D96 IonicContact NZ-OD2 2.93Å; K27-D96 PolarHBondContact NZ-OD2 2.83Å; D92-D96 WeakPolarHBondContact O-CB 3.32Å; D92-D96 PolarHBondContact O-N 2.96Å; I93-D96 WeakPolarHBondContact O-CB 3.4Å; I93-D96 PolarHBondContact O-N 3.41Å; C94-D96 VanDerWaalsContact C-N 3.3Å; C94-D96 PolarHBondContact O-N 2.82Å; D96-S99 PolarHBondContact O-N 3.02Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å |
| 97 | V | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -45.6 | 178.2 | 172.6 | 0 | 0 | 0 | 0 | 111.9 | Y48 I93 C94 S99 L100 L101 M121 Y125 | Y48-V97 HydrophobicContact CD1-CG2 3.14Å; Y48-V97 HydrophobicContact CD2-CG2 3.82Å; Y48-V97 HydrophobicContact CE1-CG2 3.44Å; Y48-V97 VanDerWaalsContact CE1-CG2 3.44Å; Y48-V97 HydrophobicContact CE2-CG2 4.08Å; Y48-V97 HydrophobicContact CG-CG2 3.33Å; I93-V97 WeakPolarHBondContact O-CG2 3.19Å; I93-V97 PolarHBondContact O-N 3.07Å; C94-V97 PolarHBondContact O-N 3Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; V97-M121 HydrophobicContact CG1-CE 3.69Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å |
| 98 | L | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -42.1 | 178.8 | -70.2 | 170.5 | 0 | 0 | 0 | 110.9 | C94 N95 L100 L101 E102 K122 Y126 L129 | C94-L98 WeakPolarHBondContact O-CB 3.4Å; C94-L98 VanDerWaalsContact O-CG 3.22Å; C94-L98 WeakPolarHBondContact O-CG 3.48Å; C94-L98 PolarHBondContact O-N 3.37Å; N95-L98 PolarHBondContact O-N 2.93Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; L98-K122 HydrophobicContact CD2-CG 3.9Å; L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å |
| 99 | S | 98.7 | Very high | 98.2 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 24% | 0.238 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.9 | -40.7 | 174 | 174.5 | 0 | 0 | 0 | 0 | 112.1 | N95 D96 V97 K103 | N95-S99 VanDerWaalsContact O-CB 3.3Å; N95-S99 WeakPolarHBondContact O-CB 3.28Å; N95-S99 PolarHBondContact O-N 3.21Å; D96-S99 PolarHBondContact O-N 3.02Å; V97-S99 VanDerWaalsContact C-N 3.29Å; V97-S99 PolarHBondContact O-N 3.47Å; S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å |
| 100 | L | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -44 | 175.5 | -67.8 | 175.8 | 0 | 0 | 0 | 112.1 | K27 T30 E31 L44 Y48 D96 V97 L98 F104 L105 | K27-L100 HydrophobicContact CB-CD1 4.23Å; K27-L100 HydrophobicContact CG-CD1 4.06Å; K27-L100 HydrophobicContact CG-CD2 4.12Å; T30-L100 HydrophobicContact CG2-CB 4.21Å; T30-L100 HydrophobicContact CG2-CD2 3.94Å; T30-L100 HydrophobicContact CG2-CG 4.5Å; E31-L100 HydrophobicContact CG-CD2 3.74Å; L44-L100 HydrophobicContact CD1-CD1 4.4Å; Y48-L100 HydrophobicContact CE2-CD1 3.91Å; D96-L100 WeakPolarHBondContact O-CG 3.29Å; D96-L100 PolarHBondContact O-N 3.27Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 WeakPolarHBondContact O-CB 3.43Å; V97-L100 PolarHBondContact O-N 2.99Å; V97-L100 VanDerWaalsContact O-N 3.09Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.4Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å |
| 101 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -60.9 | -47.5 | 179.4 | -72.2 | 167.1 | 0 | 0 | 0 | 111.4 | V97 L98 L105 I106 Y118 M121 K122 | V97-L101 HydrophobicContact CG1-CD1 3.68Å; V97-L101 HydrophobicContact CG1-CG 4.16Å; V97-L101 VanDerWaalsContact O-CG 3.32Å; V97-L101 WeakPolarHBondContact O-CG 3.21Å; V97-L101 PolarHBondContact O-N 3.49Å; L98-L101 HydrophobicContact CD2-CD1 4.48Å; L98-L101 PolarHBondContact O-N 3.38Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; L101-K122 HydrophobicContact CD1-CB 3.99Å |
| 102 | E | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 48.4 Ų | 48.4 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -76 | -35.2 | -174.9 | -68.8 | -178.5 | 155.8 | 0 | 0 | 113.5 | L98 P107 K122 | L98-E102 WeakPolarHBondContact O-CB 3.41Å; L98-E102 VanDerWaalsContact O-CG 3.3Å; L98-E102 WeakPolarHBondContact O-CG 3.29Å; L98-E102 PolarHBondContact O-N 3.42Å; E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å |
| 103 | K | 98.3 | Very high | 98 | Very high | 137 Ų | 137 | 46.8 Ų | 46.8 | 60% | 0.596 | 25% | 0.252 | S | S | * | . | I | π-helix | trans | -90.1 | -33.2 | -175.2 | -66.2 | 174.8 | -176.6 | 160.2 | 0 | 113.8 | S99 | S99-K103 VanDerWaalsContact O-CB 3.26Å; S99-K103 WeakPolarHBondContact O-CB 2.97Å; S99-K103 WeakPolarHBondContact O-CG 3.07Å; S99-K103 PolarHBondContact O-N 3.49Å; S99-K103 WeakPolarHBondContact OG-CE 3.36Å; S99-K103 PolarHBondContact OG-NZ 2.96Å |
| 104 | F | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.224 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -125.8 | -38.9 | -168.1 | -56.6 | -79.9 | 0 | 0 | 0 | 113.9 | T30 E31 L100 N108 | T30-F104 HydrophobicContact CG2-CB 3.8Å; T30-F104 HydrophobicContact CG2-CD2 4.49Å; T30-F104 HydrophobicContact CG2-CG 4.38Å; E31-F104 HydrophobicContact CB-CE2 4.46Å; E31-F104 HydrophobicContact CB-CZ 4.24Å; E31-F104 HydrophobicContact CG-CD2 4.46Å; E31-F104 HydrophobicContact CG-CE2 3.84Å; E31-F104 HydrophobicContact CG-CZ 4.06Å; L100-F104 HydrophobicContact CD2-CD2 4.05Å; L100-F104 HydrophobicContact CD2-CE2 4.29Å; L100-F104 PolarHBondContact O-N 3.34Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å |
| 105 | L | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -90.8 | -54.3 | -167.8 | -59.4 | 166 | 0 | 0 | 0 | 112.9 | T30 L36 L44 L100 L101 N108 A109 Y118 | T30-L105 HydrophobicContact CG2-CD1 4.1Å; T30-L105 HydrophobicContact CG2-CD2 3.57Å; T30-L105 HydrophobicContact CG2-CG 3.71Å; L36-L105 HydrophobicContact CD1-CD2 3.59Å; L36-L105 HydrophobicContact CG-CD2 3.87Å; L44-L105 HydrophobicContact CD2-CD1 3.5Å; L44-L105 HydrophobicContact CD2-CD2 4.34Å; L100-L105 HydrophobicContact CB-CD1 4.31Å; L100-L105 PolarHBondContact O-N 2.72Å; L100-L105 VanDerWaalsContact O-N 3.12Å; L101-L105 HydrophobicContact CD2-CB 4.33Å; L101-L105 HydrophobicContact CD2-CD1 3.78Å; L101-L105 HydrophobicContact CG-CD1 4.29Å; L101-L105 PolarHBondContact O-N 3.23Å; L105-N108 PolarHBondContact O-N 2.95Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å |
| 106 | I | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 45.6 Ų | 45.6 | 16% | 0.159 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -45.1 | -179.6 | -63.6 | 168 | 0 | 0 | 0 | 111.3 | L101 N108 A109 L119 K122 | L101-I106 HydrophobicContact CB-CD1 4.1Å; L101-I106 HydrophobicContact CB-CG1 4.48Å; L101-I106 WeakPolarHBondContact O-CB 3.35Å; L101-I106 WeakPolarHBondContact O-CG1 3.15Å; L101-I106 PolarHBondContact O-N 2.85Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; I106-A109 PolarHBondContact O-N 2.88Å; I106-L119 HydrophobicContact CD1-CD2 4.06Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å |
| 107 | P | 97.7 | Very high | 98 | Very high | 85 Ų | 85 | 43.8 Ų | 43.8 | 55% | 0.552 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.7 | -30 | 179.3 | -23.1 | 35.1 | 0 | 0 | 0 | 114.4 | E102 | E102-P107 WeakPolarHBondContact O-CD 3.36Å; E102-P107 WeakPolarHBondContact O-CG 3.35Å |
| 108 | N | 96.3 | Very high | 98 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 36% | 0.358 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -96.6 | -0.3 | -177.6 | -65.7 | -37.3 | 0 | 0 | 0 | 113.7 | G33 F104 L105 I106 S110 | G33-N108 PolarHBondContact O-ND2 3.46Å; G33-N108 VanDerWaalsContact O-ND2 3.12Å; F104-N108 VanDerWaalsContact O-CB 3.24Å; F104-N108 WeakPolarHBondContact O-CB 3.5Å; F104-N108 VanDerWaalsContact O-CG 3.32Å; F104-N108 PolarHBondContact O-ND2 2.88Å; L105-N108 PolarHBondContact O-N 2.95Å; I106-N108 VanDerWaalsContact C-N 3.31Å; I106-N108 PolarHBondContact O-N 3.37Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å |
| 109 | A | 97.4 | Very high | 98 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | trans | -70.9 | 108.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | E35 L105 I106 K115 Y118 | E35-A109 WeakPolarHBondContact OE1-CA 3.38Å; L105-A109 WeakPolarHBondContact O-CB 3.43Å; L105-A109 PolarHBondContact O-N 3.14Å; L105-A109 VanDerWaalsContact O-N 3.07Å; I106-A109 PolarHBondContact O-N 2.88Å; A109-K115 HydrophobicContact CB-CB 4.14Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å | ||
| 110 | S | 96.2 | Very high | 98 | Very high | 79 Ų | 79 | 43.7 Ų | 43.7 | 55% | 0.552 | 23% | 0.227 | S | C | * | . | trans | -83.6 | -28.2 | -179.7 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | E35 N108 | E35-S110 VanDerWaalsContact CD-OG 3.26Å; E35-S110 PolarHBondContact OE1-N 2.95Å; E35-S110 PolarHBondContact OE1-OG 3.33Å; E35-S110 VanDerWaalsContact OE1-OG 3.05Å; E35-S110 VanDerWaalsContact OE2-CB 3.32Å; E35-S110 WeakPolarHBondContact OE2-CB 3.49Å; E35-S110 PolarHBondContact OE2-OG 3.29Å; N108-S110 PolarHBondContact O-N 3.49Å; N108-S110 VanDerWaalsContact O-N 3.16Å | ||
| 111 | Q | 96.4 | Very high | 98 | Very high | 124 Ų | 124 | 44 Ų | 44 | 58% | 0.579 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -99.7 | 143.7 | -178.9 | -57.8 | -56.7 | -40.8 | 0 | 0 | 112 | E113 S114 K115 | Q111-E113 PolarHBondContact O-N 3.49Å; Q111-S114 PolarHBondContact O-N 2.86Å; Q111-K115 PolarHBondContact O-N 2.92Å |
| 112 | A | 96.9 | Very high | 98 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 25% | 0.248 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K115 V116 I155 E159 | A112-K115 PolarHBondContact O-N 2.96Å; A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; A112-I155 HydrophobicContact CB-CG2 4.2Å; A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å |
| 113 | E | 97 | Very high | 98 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.3 | -51.8 | 177.2 | -170.3 | -163.6 | 121.6 | 0 | 0 | 112.1 | R41 Q111 K115 V116 F117 M160 H164 I166 | R41-E113 IonicContact CZ-OE1 2.93Å; R41-E113 VanDerWaalsContact CZ-OE1 3.32Å; R41-E113 IonicContact NH1-OE1 2.89Å; R41-E113 PolarHBondContact NH1-OE1 2.98Å; R41-E113 IonicContact NH2-OE1 3.01Å; R41-E113 PolarHBondContact NH2-OE1 3.24Å; Q111-E113 PolarHBondContact O-N 3.49Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; E113-V116 PolarHBondContact O-N 3.43Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; E113-M160 HydrophobicContact CG-CE 4.38Å; E113-H164 IonicContact OE2-NE2 2.75Å; E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å |
| 114 | S | 98 | Very high | 98 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.9 | -40.6 | 177.9 | -68.4 | 0 | 0 | 0 | 0 | 111.5 | Q111 F117 Y118 | Q111-S114 PolarHBondContact O-N 2.86Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å |
| 115 | K | 98.4 | Very high | 98 | Very high | 71 Ų | 71 | 33.3 Ų | 33.3 | 31% | 0.309 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.9 | -171.2 | 170.4 | 177.9 | -175.9 | 0 | 111.9 | A109 Q111 A112 E113 F117 Y118 L119 E151 I155 | A109-K115 HydrophobicContact CB-CB 4.14Å; Q111-K115 PolarHBondContact O-N 2.92Å; A112-K115 PolarHBondContact O-N 2.96Å; E113-K115 VanDerWaalsContact C-N 3.32Å; E113-K115 PolarHBondContact O-N 3.33Å; K115-F117 VanDerWaalsContact C-N 3.34Å; K115-Y118 PolarHBondContact O-N 3.21Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; K115-E151 IonicContact NZ-OE1 2.78Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å |
| 116 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -42 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | A112 E113 Y118 L119 K120 A152 I155 M160 I166 L170 | A112-V116 WeakPolarHBondContact O-CG2 3.38Å; A112-V116 PolarHBondContact O-N 3.46Å; E113-V116 PolarHBondContact O-N 3.43Å; V116-Y118 PolarHBondContact O-N 3.34Å; V116-L119 PolarHBondContact O-N 2.95Å; V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; V116-A152 HydrophobicContact CG1-CB 4.34Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; V116-L170 HydrophobicContact CG1-CD2 4.06Å |
| 117 | F | 98.6 | Very high | 98 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 12% | 0.123 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.3 | -49.8 | 176.8 | -172.2 | -80 | 0 | 0 | 0 | 111.8 | R41 E113 S114 K115 M121 I166 | R41-F117 VanDerWaalsContact CD-CD1 3.48Å; R41-F117 HydrophobicContact CG-CD1 3.6Å; R41-F117 HydrophobicContact CG-CE1 3.44Å; R41-F117 VanDerWaalsContact CG-CE1 3.44Å; R41-F117 HydrophobicContact CG-CE2 4.47Å; R41-F117 HydrophobicContact CG-CG 4.2Å; R41-F117 HydrophobicContact CG-CZ 3.92Å; E113-F117 WeakPolarHBondContact O-CB 3.46Å; E113-F117 PolarHBondContact O-N 3.22Å; S114-F117 WeakPolarHBondContact O-CB 3.32Å; S114-F117 PolarHBondContact O-N 3.22Å; K115-F117 VanDerWaalsContact C-N 3.34Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å |
| 118 | Y | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -71.1 | -37.9 | -178.9 | -62.5 | -45.2 | 0 | 0 | 0 | 113 | R41 L101 L105 A109 S114 K115 V116 M121 K122 | R41-Y118 HydrophobicContact CG-CE1 3.68Å; L101-Y118 HydrophobicContact CD2-CD1 3.85Å; L101-Y118 HydrophobicContact CD2-CG 4.14Å; L105-Y118 HydrophobicContact CB-CD1 3.86Å; L105-Y118 HydrophobicContact CB-CD2 3.84Å; L105-Y118 HydrophobicContact CB-CE1 3.9Å; L105-Y118 HydrophobicContact CB-CE2 3.91Å; L105-Y118 HydrophobicContact CB-CG 3.85Å; L105-Y118 HydrophobicContact CD1-CD1 4.09Å; L105-Y118 HydrophobicContact CD1-CE1 3.99Å; L105-Y118 HydrophobicContact CD2-CE1 3.92Å; L105-Y118 HydrophobicContact CD2-CE2 4.46Å; L105-Y118 HydrophobicContact CG-CD1 4.42Å; L105-Y118 HydrophobicContact CG-CE1 4.16Å; A109-Y118 HydrophobicContact CB-CD2 3.98Å; A109-Y118 HydrophobicContact CB-CE2 4.1Å; S114-Y118 WeakPolarHBondContact O-CD2 3.43Å; S114-Y118 VanDerWaalsContact O-CG 3.3Å; S114-Y118 PolarHBondContact O-N 3.47Å; K115-Y118 PolarHBondContact O-N 3.21Å; V116-Y118 PolarHBondContact O-N 3.34Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å |
| 119 | L | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 175.5 | -73.5 | 167.5 | 0 | 0 | 0 | 111.9 | I106 K115 V116 M121 K122 G123 E151 A152 I155 | I106-L119 HydrophobicContact CD1-CD2 4.06Å; K115-L119 HydrophobicContact CG-CD1 3.88Å; K115-L119 HydrophobicContact CG-CG 4.48Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 WeakPolarHBondContact O-CG 3.35Å; K115-L119 PolarHBondContact O-N 3.17Å; V116-L119 PolarHBondContact O-N 2.95Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; L119-G123 PolarHBondContact O-N 3.01Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; L119-A152 HydrophobicContact CB-CB 3.66Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å |
| 120 | K | 98.7 | Very high | 98.1 | Very high | 37 Ų | 37 | 27 Ų | 27 | 16% | 0.161 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.4 | -47.7 | 170.4 | 177.8 | -168.2 | 168.7 | -67.1 | 0 | 110.5 | V116 K122 G123 D124 G169 L170 N173 | V116-K120 WeakPolarHBondContact O-CB 3.43Å; V116-K120 PolarHBondContact O-N 2.99Å; K120-K122 PolarHBondContact O-N 3.14Å; K120-G123 PolarHBondContact O-N 3.06Å; K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; K120-G169 WeakPolarHBondContact CE-O 3.46Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å |
| 121 | M | 98.7 | Very high | 98.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.039 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 176.8 | -165.4 | 175.6 | 177.3 | 0 | 0 | 110.7 | V97 L101 F117 Y118 L119 G123 D124 Y125 | V97-M121 HydrophobicContact CG1-CE 3.69Å; L101-M121 HydrophobicContact CD1-CB 4.25Å; L101-M121 HydrophobicContact CD1-CG 4.14Å; L101-M121 HydrophobicContact CD2-CB 4.24Å; L101-M121 HydrophobicContact CD2-CG 4.41Å; L101-M121 HydrophobicContact CD2-SD 4.11Å; F117-M121 HydrophobicContact CE1-SD 4.48Å; F117-M121 WeakPolarHBondContact O-CB 3.45Å; F117-M121 PolarHBondContact O-N 2.89Å; Y118-M121 WeakPolarHBondContact O-CB 3.45Å; Y118-M121 PolarHBondContact O-N 3.15Å; L119-M121 VanDerWaalsContact C-N 3.3Å; L119-M121 PolarHBondContact O-N 3.48Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å |
| 122 | K | 98.9 | Very high | 98 | Very high | 33 Ų | 33 | 19.6 Ų | 19.6 | 14% | 0.143 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55 | -47.1 | 174.7 | -174.1 | 175.4 | -177.1 | 169.7 | 0 | 111.6 | L98 L101 E102 I106 Y118 L119 K120 D124 Y125 Y126 A148 | L98-K122 HydrophobicContact CD2-CG 3.9Å; L101-K122 HydrophobicContact CD1-CB 3.99Å; E102-K122 WeakPolarHBondContact OE1-CE 3.31Å; E102-K122 IonicContact OE1-NZ 3.67Å; E102-K122 PolarHBondContact OE1-NZ 2.95Å; I106-K122 HydrophobicContact CD1-CB 4.39Å; I106-K122 HydrophobicContact CD1-CD 3.87Å; Y118-K122 WeakPolarHBondContact O-CB 3.33Å; Y118-K122 PolarHBondContact O-N 3.43Å; L119-K122 WeakPolarHBondContact O-CB 3.38Å; L119-K122 PolarHBondContact O-N 3.31Å; K120-K122 PolarHBondContact O-N 3.14Å; K122-D124 PolarHBondContact O-N 3.46Å; K122-Y125 PolarHBondContact O-N 3.49Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å |
| 123 | G | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L119 K120 M121 Y126 R127 S145 | L119-G123 PolarHBondContact O-N 3.01Å; K120-G123 PolarHBondContact O-N 3.06Å; M121-G123 VanDerWaalsContact C-N 3.32Å; M121-G123 PolarHBondContact O-N 3.35Å; G123-Y126 PolarHBondContact O-N 3.35Å; G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; G123-S145 PolarHBondContact O-OG 3.35Å |
| 124 | D | 98.8 | Very high | 97.2 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.043 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 177.6 | -69.5 | -34.2 | 0 | 0 | 0 | 112.4 | K120 M121 K122 R127 Y128 Y149 N173 | K120-D124 IonicContact NZ-OD2 2.92Å; K120-D124 PolarHBondContact NZ-OD2 2.89Å; K120-D124 VanDerWaalsContact O-CG 3.28Å; K120-D124 PolarHBondContact O-N 3.48Å; M121-D124 WeakPolarHBondContact O-CB 3.45Å; M121-D124 PolarHBondContact O-N 3Å; M121-D124 VanDerWaalsContact O-N 3.08Å; K122-D124 PolarHBondContact O-N 3.46Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å |
| 125 | Y | 98.7 | Very high | 96.6 | Very high | 7 Ų | 7 | 23.1 Ų | 23.1 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -72.1 | -35.6 | -177.9 | -79.4 | -86.2 | 0 | 0 | 0 | 112.9 | Y48 K49 V52 C94 V97 M121 K122 R127 Y128 L129 | Y48-Y125 WeakPolarHBondContact CB-OH 3.38Å; Y48-Y125 PolarHBondContact O-OH 3.36Å; Y48-Y125 VanDerWaalsContact O-OH 3.05Å; K49-Y125 PolarHBondContact N-OH 3.25Å; V52-Y125 HydrophobicContact CB-CE1 4.09Å; V52-Y125 HydrophobicContact CG1-CE1 3.99Å; V52-Y125 HydrophobicContact CG2-CE1 4.26Å; C94-Y125 HydrophobicContact CB-CD1 4.06Å; V97-Y125 HydrophobicContact CB-CD1 3.97Å; V97-Y125 HydrophobicContact CB-CD2 4.29Å; V97-Y125 HydrophobicContact CB-CE1 4.03Å; V97-Y125 HydrophobicContact CB-CE2 4.4Å; V97-Y125 HydrophobicContact CB-CG 4.11Å; V97-Y125 HydrophobicContact CG1-CD1 4.09Å; V97-Y125 HydrophobicContact CG1-CD2 3.5Å; V97-Y125 HydrophobicContact CG1-CE1 4.16Å; V97-Y125 HydrophobicContact CG1-CE2 3.63Å; V97-Y125 HydrophobicContact CG1-CG 3.78Å; V97-Y125 HydrophobicContact CG2-CD1 4.17Å; V97-Y125 HydrophobicContact CG2-CE1 3.73Å; V97-Y125 HydrophobicContact CG2-CE2 4.43Å; M121-Y125 HydrophobicContact CE-CD2 4.44Å; M121-Y125 HydrophobicContact CE-CE2 3.62Å; M121-Y125 HydrophobicContact CG-CD2 3.77Å; M121-Y125 HydrophobicContact CG-CE2 3.6Å; M121-Y125 VanDerWaalsContact O-CD2 3.25Å; M121-Y125 WeakPolarHBondContact O-CD2 3.24Å; M121-Y125 PolarHBondContact O-N 3.5Å; M121-Y125 HydrophobicContact SD-CE2 4.47Å; K122-Y125 PolarHBondContact O-N 3.49Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å |
| 126 | Y | 98.7 | Very high | 95.7 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 12% | 0.122 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.6 | -35.2 | 168.3 | -79.4 | -63.3 | 0 | 0 | 0 | 112.5 | L98 K122 G123 Y128 L129 A130 I141 Q144 | L98-Y126 HydrophobicContact CD1-CD1 3.92Å; L98-Y126 HydrophobicContact CD1-CD2 4.45Å; L98-Y126 HydrophobicContact CD1-CE1 3.63Å; L98-Y126 HydrophobicContact CD1-CE2 4.18Å; L98-Y126 HydrophobicContact CD1-CG 4.32Å; L98-Y126 HydrophobicContact CD2-CD2 3.72Å; L98-Y126 HydrophobicContact CD2-CE1 4.48Å; L98-Y126 HydrophobicContact CD2-CE2 3.51Å; L98-Y126 HydrophobicContact CD2-CG 4.28Å; L98-Y126 HydrophobicContact CG-CE2 4.46Å; K122-Y126 HydrophobicContact CD-CE2 4.33Å; K122-Y126 HydrophobicContact CG-CD2 3.93Å; K122-Y126 HydrophobicContact CG-CE2 3.78Å; K122-Y126 VanDerWaalsContact O-CD2 3.31Å; K122-Y126 WeakPolarHBondContact O-CD2 3.34Å; K122-Y126 PolarHBondContact O-N 3.42Å; K122-Y126 VanDerWaalsContact O-N 3.08Å; G123-Y126 PolarHBondContact O-N 3.35Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å |
| 127 | R | 98.4 | Very high | 95 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -42.8 | 173.7 | 171 | 167.4 | 72.2 | 88.5 | 3.7 | 111.6 | G123 D124 Y125 L129 A130 E131 S145 Y149 F177 E180 I181 | G123-R127 WeakPolarHBondContact O-CB 3.49Å; G123-R127 PolarHBondContact O-N 3.19Å; D124-R127 WeakPolarHBondContact O-CB 3.2Å; D124-R127 PolarHBondContact O-N 2.82Å; D124-R127 IonicContact OD1-NH2 3.85Å; Y125-R127 VanDerWaalsContact C-N 3.33Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; R127-E131 PolarHBondContact O-N 3.12Å; R127-S145 PolarHBondContact N-OG 2.91Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å |
| 128 | Y | 98.2 | Very high | 94.8 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 10% | 0.098 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -37.2 | 175.5 | -54.9 | -32.2 | 0 | 0 | 0 | 112.3 | V52 R56 D124 Y125 Y126 E131 | V52-Y128 HydrophobicContact CG1-CD2 4.01Å; V52-Y128 HydrophobicContact CG1-CE2 3.84Å; V52-Y128 HydrophobicContact CG2-CD2 3.91Å; V52-Y128 HydrophobicContact CG2-CG 4.44Å; R56-Y128 VanDerWaalsContact NE-CD1 3.31Å; D124-Y128 HydrophobicContact CB-CE2 4.12Å; D124-Y128 WeakPolarHBondContact O-CD1 3.38Å; D124-Y128 WeakPolarHBondContact O-CD2 3.47Å; D124-Y128 WeakPolarHBondContact O-CE2 3.15Å; D124-Y128 PolarHBondContact O-N 3.47Å; Y125-Y128 HydrophobicContact CD1-CD2 4.03Å; Y125-Y128 HydrophobicContact CD1-CE2 4.48Å; Y125-Y128 HydrophobicContact CE1-CD2 4.3Å; Y125-Y128 HydrophobicContact CE1-CE2 4.46Å; Y125-Y128 HydrophobicContact CG-CD2 4.31Å; Y125-Y128 PolarHBondContact O-N 3.08Å; Y126-Y128 VanDerWaalsContact C-N 3.34Å; Y126-Y128 PolarHBondContact O-N 3.47Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å |
| 129 | L | 97.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 171 | -72.5 | 174.8 | 0 | 0 | 0 | 111.7 | L90 R91 C94 L98 Y125 Y126 R127 E131 V132 A133 I141 | L90-L129 HydrophobicContact CD2-CD2 4.48Å; R91-L129 HydrophobicContact CB-CD2 4.14Å; R91-L129 HydrophobicContact CG-CD2 3.95Å; C94-L129 HydrophobicContact CB-CD1 4Å; C94-L129 HydrophobicContact CB-CD2 3.65Å; C94-L129 HydrophobicContact CB-CG 3.62Å; L98-L129 HydrophobicContact CD1-CD1 3.63Å; Y125-L129 WeakPolarHBondContact O-CG 3.33Å; Y125-L129 PolarHBondContact O-N 2.81Å; Y126-L129 HydrophobicContact CD1-CD1 4.07Å; Y126-L129 HydrophobicContact CE1-CD1 4.44Å; Y126-L129 WeakPolarHBondContact O-CB 3.5Å; Y126-L129 PolarHBondContact O-N 3.29Å; R127-L129 VanDerWaalsContact C-N 3.32Å; R127-L129 PolarHBondContact O-N 3.38Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å |
| 130 | A | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -31.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y126 R127 V132 K138 I141 V142 I181 | Y126-A130 WeakPolarHBondContact O-CB 3.38Å; Y126-A130 PolarHBondContact O-N 2.88Å; R127-A130 WeakPolarHBondContact O-CB 3.25Å; R127-A130 PolarHBondContact O-N 3.47Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å; A130-K138 WeakPolarHBondContact O-CE 3.39Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A130-V142 HydrophobicContact CB-CG2 3.85Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å |
| 131 | E | 95.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 44.7 Ų | 44.7 | 17% | 0.173 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.6 | -36.7 | 176 | -175.8 | 176.1 | -163.8 | 0 | 0 | 111.9 | R56 W59 R60 R127 Y128 L129 I181 | R56-E131 IonicContact CZ-OE2 2.86Å; R56-E131 IonicContact NE-OE2 3.52Å; R56-E131 PolarHBondContact NE-OE2 3.3Å; R56-E131 IonicContact NH2-OE1 2.61Å; R56-E131 IonicContact NH2-OE2 2.95Å; R56-E131 PolarHBondContact NH2-OE2 3.35Å; W59-E131 HydrophobicContact CH2-CG 4.05Å; W59-E131 HydrophobicContact CZ3-CG 3.73Å; R60-E131 IonicContact CZ-OE1 3.68Å; R60-E131 IonicContact NE-OE1 3.52Å; R60-E131 PolarHBondContact NE-OE1 3.22Å; R60-E131 IonicContact NH2-OE1 2.82Å; R60-E131 PolarHBondContact NH2-OE1 3.18Å; R60-E131 IonicContact NH2-OE2 3.32Å; R127-E131 PolarHBondContact O-N 3.12Å; Y128-E131 WeakPolarHBondContact O-CB 3.32Å; Y128-E131 PolarHBondContact O-N 3.43Å; L129-E131 VanDerWaalsContact C-N 3.27Å; L129-E131 PolarHBondContact O-N 2.95Å; E131-I181 HydrophobicContact CB-CD1 4.48Å |
| 132 | V | 94.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 45 Ų | 45 | 7% | 0.067 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -105.3 | -5.6 | -177.6 | -54 | 0 | 0 | 0 | 0 | 114.1 | W59 E87 L90 L129 A130 | W59-V132 HydrophobicContact CD2-CG1 3.86Å; W59-V132 HydrophobicContact CE3-CG1 4.28Å; W59-V132 HydrophobicContact CG-CG1 4.27Å; W59-V132 HydrophobicContact CH2-CG1 4.33Å; W59-V132 HydrophobicContact CZ2-CB 4.41Å; W59-V132 HydrophobicContact CZ2-CG1 3.92Å; E87-V132 HydrophobicContact CG-CB 4.06Å; E87-V132 HydrophobicContact CG-CG1 4.36Å; L90-V132 HydrophobicContact CD1-CG1 4.06Å; L90-V132 HydrophobicContact CD2-CG1 4.37Å; L90-V132 HydrophobicContact CD2-CG2 3.89Å; L129-V132 WeakPolarHBondContact O-CG2 3.45Å; L129-V132 PolarHBondContact O-N 3.08Å; A130-V132 VanDerWaalsContact C-N 3.27Å; A130-V132 PolarHBondContact O-N 2.79Å |
| 133 | A | 92.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | trans | -73.6 | 143.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L129 K138 I141 | L129-A133 VanDerWaalsContact O-CB 3.28Å; L129-A133 WeakPolarHBondContact O-CB 3.23Å; L129-A133 PolarHBondContact O-N 2.96Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; A133-I141 HydrophobicContact CB-CD1 3.76Å | ||
| 134 | A | 84.3 | Confident | 94.2 | Very high | 84 Ų | 84 | 50.3 Ų | 50.3 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | trans | -125.5 | 155.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | G | 84.6 | Confident | 94.2 | Very high | 64 Ų | 64 | 49.9 Ų | 49.9 | 66% | 0.66 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | -153.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | D137 K138 | G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å |
| 136 | D | 80.1 | Confident | 94.2 | Very high | 158 Ų | 158 | 52.6 Ų | 52.6 | 85% | 0.845 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -28.4 | -170.3 | -65.3 | -30.7 | 0 | 0 | 0 | 113.5 | K138 K139 | D136-K138 PolarHBondContact O-N 3.16Å; D136-K139 PolarHBondContact O-N 3.33Å |
| 137 | D | 84.8 | Confident | 94.2 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61.4 | -28.1 | 178.1 | -69.6 | -19.1 | 0 | 0 | 0 | 112.2 | G135 K139 G140 I141 | G135-D137 VanDerWaalsContact C-N 3.3Å; G135-D137 PolarHBondContact O-N 3.12Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; D137-G140 PolarHBondContact O-N 2.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å |
| 138 | K | 92.9 | Very high | 94.2 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 37% | 0.37 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.1 | -40.9 | -178.2 | -174.4 | 171.3 | -174.6 | 166.6 | 0 | 111.7 | A130 A133 G135 D136 G140 I141 V142 | A130-K138 WeakPolarHBondContact O-CE 3.39Å; A133-K138 HydrophobicContact CB-CB 3.94Å; A133-K138 HydrophobicContact CB-CG 4.12Å; G135-K138 WeakPolarHBondContact O-CB 3.41Å; G135-K138 PolarHBondContact O-N 3.04Å; D136-K138 PolarHBondContact O-N 3.16Å; K138-G140 PolarHBondContact O-N 3.36Å; K138-I141 PolarHBondContact O-N 2.79Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å |
| 139 | K | 94.1 | Very high | 94.2 | Very high | 150 Ų | 150 | 55.1 Ų | 55.1 | 65% | 0.652 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.3 | -47.3 | -177.3 | -175.2 | 178 | 177.5 | -178.6 | 0 | 111.6 | D136 D137 I141 V142 D143 | D136-K139 PolarHBondContact O-N 3.33Å; D137-K139 VanDerWaalsContact C-N 3.29Å; D137-K139 PolarHBondContact O-N 3.39Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; K139-V142 PolarHBondContact O-N 2.71Å; K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å |
| 140 | G | 95.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 57.9 Ų | 57.9 | 41% | 0.412 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D137 K138 D143 Q144 | D137-G140 PolarHBondContact O-N 2.76Å; K138-G140 PolarHBondContact O-N 3.36Å; G140-D143 PolarHBondContact O-N 3.49Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å |
| 141 | I | 97.5 | Very high | 94.4 | Very high | 34 Ų | 34 | 61.6 Ų | 61.6 | 17% | 0.174 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 176.7 | -65.9 | 167.2 | 0 | 0 | 0 | 111.2 | Y126 L129 A130 A133 D137 K138 K139 Q144 S145 | Y126-I141 HydrophobicContact CD1-CG2 4.17Å; Y126-I141 WeakPolarHBondContact O-CG2 3.45Å; L129-I141 HydrophobicContact CB-CD1 4.42Å; L129-I141 HydrophobicContact CB-CG2 3.61Å; A130-I141 HydrophobicContact CB-CG2 3.85Å; A133-I141 HydrophobicContact CB-CD1 3.76Å; D137-I141 WeakPolarHBondContact O-CG1 3.14Å; D137-I141 PolarHBondContact O-N 3.05Å; K138-I141 PolarHBondContact O-N 2.79Å; K139-I141 VanDerWaalsContact C-N 3.32Å; K139-I141 PolarHBondContact O-N 2.7Å; I141-Q144 PolarHBondContact O-N 3.37Å; I141-S145 PolarHBondContact O-N 3.17Å |
| 142 | V | 98 | Very high | 94.5 | Very high | 15 Ų | 15 | 59.8 Ų | 59.8 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 176.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | A130 K138 K139 Q144 S145 Q146 F177 I181 L182 | A130-V142 HydrophobicContact CB-CG2 3.85Å; K138-V142 HydrophobicContact CG-CG2 4.14Å; K138-V142 WeakPolarHBondContact O-CB 3.44Å; K138-V142 WeakPolarHBondContact O-CG2 3.37Å; K138-V142 PolarHBondContact O-N 3.37Å; K139-V142 PolarHBondContact O-N 2.71Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; V142-Q146 PolarHBondContact O-N 3.1Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å |
| 143 | D | 97.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 60.4 Ų | 60.4 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 178.2 | -70 | -18.4 | 0 | 0 | 0 | 111.3 | K139 G140 Q146 Q147 | K139-D143 VanDerWaalsContact O-CG 3.28Å; K139-D143 PolarHBondContact O-N 3.1Å; G140-D143 PolarHBondContact O-N 3.49Å; D143-Q146 PolarHBondContact O-N 3.33Å; D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å |
| 144 | Q | 98.3 | Very high | 95 | Very high | 66 Ų | 66 | 63.4 Ų | 63.4 | 31% | 0.308 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 175.6 | -71.8 | -60.2 | -47.9 | 0 | 0 | 112.6 | Y126 G140 I141 V142 Q147 A148 | Y126-Q144 HydrophobicContact CD1-CB 3.8Å; Y126-Q144 HydrophobicContact CD2-CB 3.7Å; Y126-Q144 HydrophobicContact CE1-CB 3.79Å; Y126-Q144 HydrophobicContact CE1-CG 4.12Å; Y126-Q144 HydrophobicContact CE2-CB 3.68Å; Y126-Q144 HydrophobicContact CE2-CG 4.36Å; Y126-Q144 HydrophobicContact CG-CB 3.77Å; G140-Q144 VanDerWaalsContact O-CG 3.32Å; G140-Q144 WeakPolarHBondContact O-CG 3.46Å; G140-Q144 PolarHBondContact O-N 3.26Å; I141-Q144 PolarHBondContact O-N 3.37Å; V142-Q144 VanDerWaalsContact C-N 3.33Å; V142-Q144 PolarHBondContact O-N 3.49Å; Q144-Q147 PolarHBondContact O-N 3.15Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å |
| 145 | S | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 175.4 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | G123 R127 I141 V142 Q147 A148 Y149 F177 | G123-S145 PolarHBondContact O-OG 3.35Å; R127-S145 PolarHBondContact N-OG 2.91Å; I141-S145 PolarHBondContact O-N 3.17Å; V142-S145 WeakPolarHBondContact O-CB 3.35Å; V142-S145 PolarHBondContact O-N 2.93Å; S145-Q147 PolarHBondContact O-N 3.5Å; S145-A148 PolarHBondContact O-N 3.35Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å |
| 146 | Q | 98.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 179.4 | -173.7 | 172.6 | -0 | 0 | 0 | 112 | V142 D143 A148 Y149 Q150 F177 | V142-Q146 PolarHBondContact O-N 3.1Å; D143-Q146 PolarHBondContact O-N 3.33Å; Q146-A148 PolarHBondContact O-N 3.43Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å |
| 147 | Q | 98.7 | Very high | 97.1 | Very high | 116 Ų | 116 | 55 Ų | 55 | 54% | 0.542 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 178.6 | -176.5 | 179.6 | 7.4 | 0 | 0 | 111.4 | D143 Q144 S145 Q150 E151 | D143-Q147 WeakPolarHBondContact O-CB 3.39Å; D143-Q147 PolarHBondContact O-N 2.98Å; Q144-Q147 PolarHBondContact O-N 3.15Å; S145-Q147 PolarHBondContact O-N 3.5Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å |
| 148 | A | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.1 | K122 Q144 S145 Q146 A152 | K122-A148 HydrophobicContact CB-CB 3.99Å; K122-A148 HydrophobicContact CD-CB 4.12Å; K122-A148 HydrophobicContact CG-CB 3.88Å; Q144-A148 WeakPolarHBondContact O-CB 3.47Å; Q144-A148 PolarHBondContact O-N 2.96Å; S145-A148 PolarHBondContact O-N 3.35Å; Q146-A148 PolarHBondContact O-N 3.43Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å |
| 149 | Y | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.2 | -74.8 | -53.2 | 0 | 0 | 0 | 112.5 | D124 R127 S145 Q146 A152 F153 L170 N173 F174 F177 | D124-Y149 VanDerWaalsContact CA-OH 3.29Å; D124-Y149 WeakPolarHBondContact CA-OH 3.36Å; D124-Y149 PolarHBondContact N-OH 3.49Å; D124-Y149 PolarHBondContact OD1-OH 3.24Å; R127-Y149 PolarHBondContact NE-OH 3.45Å; S145-Y149 WeakPolarHBondContact O-CD2 3.45Å; S145-Y149 PolarHBondContact O-N 2.93Å; S145-Y149 WeakPolarHBondContact OG-CE2 3.39Å; Q146-Y149 PolarHBondContact O-N 2.98Å; Y149-A152 PolarHBondContact O-N 3.18Å; Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å |
| 150 | Q | 98.7 | Very high | 98 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 178.5 | -169.7 | 66.5 | 47.3 | 0 | 0 | 111.1 | Q146 Q147 A152 F153 E154 | Q146-Q150 WeakPolarHBondContact O-CB 3.09Å; Q146-Q150 PolarHBondContact O-N 3Å; Q147-Q150 PolarHBondContact O-N 2.98Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å |
| 151 | E | 98.6 | Very high | 98 | Very high | 78 Ų | 78 | 55.8 Ų | 55.8 | 36% | 0.364 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 176.8 | -168.8 | -174.4 | 164.3 | 0 | 0 | 111.2 | K115 L119 Q147 F153 E154 I155 | K115-E151 IonicContact NZ-OE1 2.78Å; L119-E151 HydrophobicContact CD1-CB 4.11Å; L119-E151 HydrophobicContact CD1-CG 3.72Å; L119-E151 HydrophobicContact CD2-CB 4.45Å; L119-E151 HydrophobicContact CD2-CG 4.44Å; Q147-E151 WeakPolarHBondContact O-CB 3.45Å; Q147-E151 PolarHBondContact O-N 2.85Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; E151-E154 PolarHBondContact O-N 3.27Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å |
| 152 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.4 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V116 L119 A148 Y149 Q150 I155 S156 L170 | V116-A152 HydrophobicContact CG1-CB 4.34Å; L119-A152 HydrophobicContact CB-CB 3.66Å; A148-A152 WeakPolarHBondContact O-CB 3.32Å; A148-A152 PolarHBondContact O-N 3.37Å; Y149-A152 PolarHBondContact O-N 3.18Å; Q150-A152 VanDerWaalsContact C-N 3.35Å; Q150-A152 PolarHBondContact O-N 3.19Å; A152-I155 PolarHBondContact O-N 3.24Å; A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å |
| 153 | F | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.6 | -43.9 | -175.2 | -166.2 | -114.4 | 0 | 0 | 0 | 111.6 | Y149 Q150 E151 I155 S156 K157 L170 F174 L191 | Y149-F153 VanDerWaalsContact O-CB 3.25Å; Y149-F153 WeakPolarHBondContact O-CB 3.38Å; Y149-F153 PolarHBondContact O-N 3.38Å; Q150-F153 PolarHBondContact O-N 3.37Å; Q150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.27Å; E151-F153 PolarHBondContact O-N 3.04Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å |
| 154 | E | 98.3 | Very high | 97.9 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.9 | -69.2 | -51.8 | 135.2 | 0 | 0 | 112.8 | Q150 E151 K158 | Q150-E154 PolarHBondContact NE2-OE1 2.98Å; Q150-E154 WeakPolarHBondContact O-CG 3.49Å; Q150-E154 PolarHBondContact O-N 2.89Å; E151-E154 PolarHBondContact O-N 3.27Å; E154-K158 WeakPolarHBondContact O-CG 3.2Å |
| 155 | I | 98.5 | Very high | 97.8 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.159 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69.6 | -47 | 176.2 | -61.8 | 164.4 | 0 | 0 | 0 | 109.7 | A112 K115 V116 L119 E151 A152 F153 K157 K158 E159 | A112-I155 HydrophobicContact CB-CG2 4.2Å; K115-I155 HydrophobicContact CD-CD1 3.77Å; K115-I155 HydrophobicContact CG-CD1 4.03Å; V116-I155 HydrophobicContact CG2-CB 3.77Å; V116-I155 HydrophobicContact CG2-CG2 3.53Å; L119-I155 HydrophobicContact CD1-CD1 3.74Å; E151-I155 HydrophobicContact CG-CD1 4.22Å; E151-I155 WeakPolarHBondContact O-CG1 3.49Å; E151-I155 PolarHBondContact O-N 3.12Å; A152-I155 PolarHBondContact O-N 3.24Å; F153-I155 VanDerWaalsContact C-N 3.34Å; F153-I155 PolarHBondContact O-N 3.31Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å |
| 156 | S | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -35.6 | -177.1 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | A152 F153 K158 M160 | A152-S156 VanDerWaalsContact O-CB 3.3Å; A152-S156 WeakPolarHBondContact O-CB 3.32Å; A152-S156 PolarHBondContact O-N 2.83Å; A152-S156 PolarHBondContact O-OG 2.88Å; F153-S156 WeakPolarHBondContact CA-OG 3.45Å; F153-S156 PolarHBondContact O-N 3.1Å; F153-S156 PolarHBondContact O-OG 3.43Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å |
| 157 | K | 97.2 | Very high | 97.7 | Very high | 97 Ų | 97 | 49.9 Ų | 49.9 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -31.5 | 177 | -83.8 | -174.9 | 161.4 | -179.7 | 0 | 113.3 | F153 I155 | F153-K157 HydrophobicContact CD1-CD 4.08Å; F153-K157 HydrophobicContact CE1-CD 3.8Å; F153-K157 HydrophobicContact CE1-CG 4.49Å; F153-K157 HydrophobicContact CZ-CD 4.22Å; F153-K157 PolarHBondContact O-N 3.05Å; I155-K157 VanDerWaalsContact C-N 3.29Å; I155-K157 PolarHBondContact O-N 3.35Å |
| 158 | K | 97.3 | Very high | 97.7 | Very high | 156 Ų | 156 | 44.4 Ų | 44.4 | 68% | 0.678 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -86.1 | -38.1 | -177.4 | -67.7 | 173.3 | -172.5 | 174.5 | 0 | 112.3 | E154 I155 S156 | E154-K158 WeakPolarHBondContact O-CG 3.2Å; I155-K158 PolarHBondContact O-N 3.45Å; I155-K158 VanDerWaalsContact O-N 3.09Å; S156-K158 VanDerWaalsContact C-N 3.3Å; S156-K158 PolarHBondContact O-N 2.95Å |
| 159 | E | 97.5 | Very high | 97.7 | Very high | 133 Ų | 133 | 44.7 Ų | 44.7 | 62% | 0.621 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -111.7 | -6.6 | -165 | -57.3 | -62.6 | 145.4 | 0 | 0 | 113.9 | A112 I155 | A112-E159 HydrophobicContact CB-CB 3.72Å; A112-E159 HydrophobicContact CB-CG 3.89Å; I155-E159 HydrophobicContact CG2-CG 4.24Å; I155-E159 PolarHBondContact O-N 3.22Å |
| 160 | M | 96.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -133.2 | 138.8 | -171.6 | -47.8 | 175.9 | 71.4 | 0 | 0 | 111.6 | E113 V116 S156 H164 I166 R167 | E113-M160 HydrophobicContact CG-CE 4.38Å; V116-M160 HydrophobicContact CB-SD 4.03Å; V116-M160 HydrophobicContact CG1-SD 4Å; V116-M160 HydrophobicContact CG2-SD 3.86Å; S156-M160 WeakPolarHBondContact O-CA 3.22Å; S156-M160 VanDerWaalsContact O-CB 3.28Å; S156-M160 WeakPolarHBondContact O-CB 3.48Å; S156-M160 PolarHBondContact O-N 3.04Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å |
| 161 | Q | 96 | Very high | 97.7 | Very high | 113 Ų | 113 | 41.6 Ų | 41.6 | 53% | 0.528 | 20% | 0.196 | S | C | . | . | trans | -63.4 | 147.9 | 173.6 | -69.7 | 179.9 | -13.6 | 0 | 0 | 111.2 | T163 H164 R167 | Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å | ||
| 162 | P | 97.2 | Very high | 97.7 | Very high | 16 Ų | 16 | 38.8 Ų | 38.8 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -32.4 | 175.5 | -28.7 | 36.4 | 0 | 0 | 0 | 114.8 | H164 L168 E198 E202 | P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; P162-L168 WeakPolarHBondContact O-CG 3.26Å; P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; P162-E202 WeakPolarHBondContact CD-OE2 3.43Å |
| 163 | T | 96.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -5.1 | 179.1 | 52.6 | 0 | 0 | 0 | 0 | 114 | Q161 A199 E202 S214 | Q161-T163 PolarHBondContact O-N 3.01Å; Q161-T163 VanDerWaalsContact O-N 3.13Å; T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å |
| 164 | H | 96.1 | Very high | 97.7 | Very high | 48 Ų | 48 | 39.1 Ų | 39.1 | 22% | 0.222 | 19% | 0.187 | C | C | . | . | trans | -65.8 | 128 | -176.4 | -170.2 | -56.4 | 0 | 0 | 0 | 111.3 | E113 M160 Q161 P162 I166 R167 L168 | E113-H164 IonicContact OE2-NE2 2.75Å; M160-H164 HydrophobicContact CB-CB 4.23Å; M160-H164 HydrophobicContact CE-CB 4.15Å; M160-H164 WeakPolarHBondContact CE-CE1 3.3Å; M160-H164 WeakPolarHBondContact CE-ND1 3.21Å; Q161-H164 WeakPolarHBondContact O-CB 3.46Å; Q161-H164 PolarHBondContact O-N 2.74Å; P162-H164 VanDerWaalsContact C-N 3.31Å; P162-H164 PolarHBondContact O-N 2.93Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; H164-L168 PolarHBondContact O-N 3.18Å | ||
| 165 | P | 96.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 35.3 Ų | 35.3 | 14% | 0.143 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.6 | -44.3 | -175.6 | -27.4 | 29.8 | 0 | 0 | 0 | 114.7 | L168 G169 D213 S214 I217 | P165-L168 PolarHBondContact O-N 2.83Å; P165-G169 PolarHBondContact O-N 3.05Å; P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å |
| 166 | I | 97.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 177.2 | -68.9 | 168.6 | 0 | 0 | 0 | 112.9 | E113 V116 F117 M160 H164 G169 L170 | E113-I166 HydrophobicContact CG-CD1 3.38Å; E113-I166 WeakPolarHBondContact OE1-CD1 3.27Å; V116-I166 HydrophobicContact CB-CG2 4.27Å; V116-I166 HydrophobicContact CG1-CG2 3.72Å; F117-I166 HydrophobicContact CB-CD1 4.39Å; F117-I166 HydrophobicContact CD2-CD1 3.81Å; F117-I166 HydrophobicContact CD2-CG1 4.1Å; M160-I166 HydrophobicContact CE-CB 3.78Å; M160-I166 HydrophobicContact CE-CG2 3.9Å; H164-I166 VanDerWaalsContact C-N 3.35Å; H164-I166 PolarHBondContact ND1-N 2.92Å; H164-I166 VanDerWaalsContact ND1-N 3.18Å; H164-I166 PolarHBondContact O-N 3.06Å; I166-G169 PolarHBondContact O-N 3.48Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å |
| 167 | R | 98.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 34.7 Ų | 34.7 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -45 | 176.6 | 177.3 | 176.3 | 167.7 | 171.3 | -5.8 | 110.8 | M160 Q161 H164 L170 A171 E198 | M160-R167 HydrophobicContact CB-CB 4.35Å; M160-R167 HydrophobicContact CE-CB 4.46Å; M160-R167 PolarHBondContact O-NH1 3.43Å; M160-R167 HydrophobicContact SD-CB 4.49Å; Q161-R167 WeakPolarHBondContact O-CD 3.43Å; H164-R167 HydrophobicContact CB-CB 4.24Å; H164-R167 PolarHBondContact O-N 3.49Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; R167-A171 PolarHBondContact O-N 3.38Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å |
| 168 | L | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 173.9 | -75.1 | 171.5 | 0 | 0 | 0 | 111.8 | P162 H164 P165 L170 A171 L172 A199 I217 M218 L221 | P162-L168 WeakPolarHBondContact O-CG 3.26Å; H164-L168 PolarHBondContact O-N 3.18Å; P165-L168 PolarHBondContact O-N 2.83Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L168-A171 PolarHBondContact O-N 3.4Å; L168-L172 PolarHBondContact O-N 3.24Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; L168-L221 HydrophobicContact CD2-CD1 3.98Å |
| 169 | G | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 9% | 0.093 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -32.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K120 P165 I166 N173 | K120-G169 WeakPolarHBondContact CE-O 3.46Å; P165-G169 PolarHBondContact O-N 3.05Å; I166-G169 PolarHBondContact O-N 3.48Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å |
| 170 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -49.4 | 170.8 | 169.9 | 63.1 | 0 | 0 | 0 | 111.1 | V116 K120 Y149 A152 F153 I166 R167 L168 L172 N173 F174 | V116-L170 HydrophobicContact CG1-CD2 4.06Å; K120-L170 HydrophobicContact CB-CD1 4.02Å; K120-L170 HydrophobicContact CD-CB 4.12Å; K120-L170 HydrophobicContact CG-CB 4.31Å; K120-L170 HydrophobicContact CG-CD1 4Å; Y149-L170 HydrophobicContact CD1-CD1 3.68Å; Y149-L170 HydrophobicContact CE1-CD1 4.4Å; A152-L170 VanDerWaalsContact C-CD2 3.48Å; A152-L170 HydrophobicContact CB-CD1 3.8Å; A152-L170 HydrophobicContact CB-CD2 3.63Å; A152-L170 HydrophobicContact CB-CG 4.39Å; F153-L170 HydrophobicContact CB-CD2 4.15Å; F153-L170 HydrophobicContact CD2-CD2 4.17Å; I166-L170 WeakPolarHBondContact O-CB 3.42Å; I166-L170 PolarHBondContact O-N 3.38Å; R167-L170 WeakPolarHBondContact O-CB 3.45Å; R167-L170 PolarHBondContact O-N 3.03Å; L168-L170 VanDerWaalsContact C-N 3.28Å; L168-L170 PolarHBondContact O-N 3.49Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L170-N173 PolarHBondContact O-N 3.23Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å |
| 171 | A | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 2% | 0.017 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -42.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | R167 L168 S175 A195 | R167-A171 PolarHBondContact O-N 3.38Å; L168-A171 PolarHBondContact O-N 3.4Å; A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å |
| 172 | L | 98.7 | Very high | 97.9 | Very high | 20 Ų | 20 | 22.4 Ų | 22.4 | 11% | 0.105 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56 | -56.3 | 174.5 | 177.6 | 64.5 | 0 | 0 | 0 | 110.9 | L168 L170 F174 S175 V176 I217 L220 L221 N224 | L168-L172 PolarHBondContact O-N 3.24Å; L170-L172 VanDerWaalsContact C-N 3.31Å; L170-L172 PolarHBondContact O-N 3.43Å; L172-F174 PolarHBondContact O-N 3.09Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å |
| 173 | N | 98.6 | Very high | 97.8 | Very high | 29 Ų | 29 | 28.4 Ų | 28.4 | 16% | 0.155 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68.7 | -35.8 | -175.7 | -76 | 14.1 | 0 | 0 | 0 | 113.2 | K120 D124 Y149 G169 L170 V176 F177 | K120-N173 WeakPolarHBondContact CE-ND2 3.43Å; K120-N173 PolarHBondContact NZ-ND2 3.42Å; D124-N173 VanDerWaalsContact OD1-CB 3.28Å; D124-N173 WeakPolarHBondContact OD1-CB 3.47Å; D124-N173 PolarHBondContact OD1-ND2 3.47Å; D124-N173 PolarHBondContact OD2-ND2 2.87Å; Y149-N173 HydrophobicContact CE1-CB 4.16Å; G169-N173 PolarHBondContact O-N 3.25Å; G169-N173 VanDerWaalsContact O-N 3.1Å; L170-N173 PolarHBondContact O-N 3.23Å; N173-V176 PolarHBondContact O-N 3.3Å; N173-F177 PolarHBondContact O-N 3.47Å |
| 174 | F | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72 | -33.5 | 178.3 | -167.7 | -167.6 | 0 | 0 | 0 | 111.7 | Y149 F153 L170 L172 F177 Y178 L191 | Y149-F174 VanDerWaalsContact CB-CD2 3.43Å; Y149-F174 VanDerWaalsContact CB-CE2 3.48Å; Y149-F174 HydrophobicContact CD1-CB 4.04Å; Y149-F174 HydrophobicContact CD1-CD2 4.42Å; Y149-F174 HydrophobicContact CD1-CG 4.29Å; Y149-F174 AromaticContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CD2 3.61Å; Y149-F174 HydrophobicContact CD2-CE2 4.02Å; Y149-F174 HydrophobicContact CD2-CG 4.27Å; Y149-F174 HydrophobicContact CE1-CB 4.5Å; Y149-F174 HydrophobicContact CE2-CD2 4.42Å; Y149-F174 HydrophobicContact CG-CB 4.07Å; Y149-F174 HydrophobicContact CG-CD1 4.48Å; Y149-F174 AromaticContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CD2 3.6Å; Y149-F174 HydrophobicContact CG-CE2 4.06Å; Y149-F174 AromaticContact CG-CG 3.84Å; Y149-F174 HydrophobicContact CG-CG 3.84Å; F153-F174 HydrophobicContact CB-CE1 4.49Å; L170-F174 VanDerWaalsContact O-CB 3.24Å; L170-F174 WeakPolarHBondContact O-CB 3.47Å; L170-F174 PolarHBondContact O-N 2.87Å; L172-F174 PolarHBondContact O-N 3.09Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å |
| 175 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 171.3 | 70 | 0 | 0 | 0 | 0 | 111.8 | A171 L172 F177 Y178 Y179 A188 W228 | A171-S175 VanDerWaalsContact O-CB 3.29Å; A171-S175 WeakPolarHBondContact O-CB 3.37Å; A171-S175 PolarHBondContact O-N 3.27Å; A171-S175 PolarHBondContact O-OG 3.39Å; L172-S175 PolarHBondContact O-N 3.14Å; L172-S175 PolarHBondContact O-OG 2.93Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; S175-Y178 PolarHBondContact O-N 3.2Å; S175-Y179 PolarHBondContact O-N 3.42Å; S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; S175-W228 WeakPolarHBondContact OG-CH2 3.4Å |
| 176 | V | 98.4 | Very high | 97.9 | Very high | 17 Ų | 17 | 33.7 Ų | 33.7 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -39 | 173.8 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | L172 N173 Y179 E180 W228 | L172-V176 WeakPolarHBondContact O-CG2 3.49Å; L172-V176 PolarHBondContact O-N 2.9Å; L172-V176 VanDerWaalsContact O-N 3.14Å; N173-V176 PolarHBondContact O-N 3.3Å; V176-Y179 PolarHBondContact O-N 3.35Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å |
| 177 | F | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 172.5 | 170.8 | -102.4 | 0 | 0 | 0 | 112.4 | R127 V142 S145 Q146 Y149 N173 F174 S175 Y179 I181 L182 | R127-F177 HydrophobicContact CB-CD2 4.29Å; R127-F177 HydrophobicContact CG-CD2 4.32Å; V142-F177 HydrophobicContact CG1-CE2 4.32Å; V142-F177 HydrophobicContact CG1-CZ 3.99Å; S145-F177 WeakPolarHBondContact OG-CD2 3.34Å; S145-F177 WeakPolarHBondContact OG-CE2 3.33Å; Q146-F177 HydrophobicContact CB-CE1 3.81Å; Q146-F177 HydrophobicContact CB-CZ 3.82Å; Q146-F177 HydrophobicContact CG-CE1 4.15Å; Y149-F177 HydrophobicContact CD2-CB 4.17Å; Y149-F177 HydrophobicContact CD2-CD1 4.25Å; Y149-F177 HydrophobicContact CD2-CG 4.06Å; Y149-F177 HydrophobicContact CE2-CB 3.68Å; Y149-F177 HydrophobicContact CE2-CD1 4.49Å; Y149-F177 HydrophobicContact CE2-CD2 4.14Å; Y149-F177 AromaticContact CE2-CG 3.86Å; Y149-F177 HydrophobicContact CE2-CG 3.86Å; N173-F177 PolarHBondContact O-N 3.47Å; F174-F177 HydrophobicContact CD2-CB 4.25Å; F174-F177 AromaticContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CD1 3.76Å; F174-F177 HydrophobicContact CD2-CG 4.39Å; F174-F177 AromaticContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CD1 3.69Å; F174-F177 HydrophobicContact CE2-CE1 4.11Å; F174-F177 WeakPolarHBondContact O-CB 3.47Å; F174-F177 PolarHBondContact O-N 3.08Å; S175-F177 VanDerWaalsContact C-N 3.31Å; S175-F177 PolarHBondContact O-N 3.48Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å |
| 178 | Y | 98.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 10% | 0.102 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 177 | -79.4 | -60.3 | 0 | 0 | 0 | 112 | F174 S175 L182 N183 S184 K187 L191 | F174-Y178 HydrophobicContact CD1-CE2 4.16Å; F174-Y178 HydrophobicContact CD2-CD2 4.02Å; F174-Y178 AromaticContact CD2-CE2 3.67Å; F174-Y178 HydrophobicContact CD2-CE2 3.67Å; F174-Y178 AromaticContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE1-CE2 3.97Å; F174-Y178 HydrophobicContact CE2-CD2 4.15Å; F174-Y178 HydrophobicContact CE2-CE1 4.31Å; F174-Y178 AromaticContact CE2-CE2 3.44Å; F174-Y178 HydrophobicContact CE2-CE2 3.44Å; F174-Y178 VanDerWaalsContact CE2-CE2 3.44Å; F174-Y178 AromaticContact CE2-CZ 3.54Å; F174-Y178 HydrophobicContact CG-CD2 4.44Å; F174-Y178 HydrophobicContact CG-CE2 4.03Å; F174-Y178 AromaticContact CZ-CE2 3.62Å; F174-Y178 HydrophobicContact CZ-CE2 3.62Å; F174-Y178 AromaticContact CZ-CZ 3.58Å; F174-Y178 WeakPolarHBondContact CZ-OH 3.36Å; F174-Y178 VanDerWaalsContact O-CD2 3.23Å; F174-Y178 WeakPolarHBondContact O-CD2 3.37Å; F174-Y178 PolarHBondContact O-N 3.37Å; S175-Y178 PolarHBondContact O-N 3.2Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; Y178-N183 PolarHBondContact O-N 3Å; Y178-S184 PolarHBondContact O-N 3.49Å; Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å |
| 179 | Y | 98.1 | Very high | 97.9 | Very high | 53 Ų | 53 | 38.1 Ų | 38.1 | 21% | 0.208 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.7 | -62.4 | 179.5 | -166.8 | -98.1 | 0 | 0 | 0 | 112 | S175 V176 F177 N183 P185 A188 W228 D231 | S175-Y179 PolarHBondContact O-N 3.42Å; V176-Y179 PolarHBondContact O-N 3.35Å; F177-Y179 VanDerWaalsContact C-N 3.27Å; F177-Y179 PolarHBondContact O-N 2.83Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; Y179-D231 PolarHBondContact OH-OD2 3.03Å |
| 180 | E | 96.1 | Very high | 97.8 | Very high | 102 Ų | 102 | 41.1 Ų | 41.1 | 48% | 0.477 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -77.9 | -30.8 | -167.9 | -63.5 | -177.6 | 163.2 | 0 | 0 | 113.6 | R127 V176 | R127-E180 IonicContact NH1-OE2 3.55Å; R127-E180 PolarHBondContact NH1-OE2 3.34Å; V176-E180 HydrophobicContact CG1-CG 3.9Å; V176-E180 VanDerWaalsContact CG1-OE2 3.28Å; V176-E180 WeakPolarHBondContact CG1-OE2 3.43Å; V176-E180 WeakPolarHBondContact O-CB 3.42Å; V176-E180 PolarHBondContact O-N 3Å |
| 181 | I | 97.1 | Very high | 97.8 | Very high | 29 Ų | 29 | 42 Ų | 42 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -45.1 | -172.1 | -53.9 | -55.8 | 0 | 0 | 0 | 112.3 | R127 A130 E131 V142 F177 | R127-I181 HydrophobicContact CG-CD1 4.16Å; R127-I181 HydrophobicContact CG-CG1 3.75Å; A130-I181 HydrophobicContact CB-CD1 4.33Å; A130-I181 HydrophobicContact CB-CG2 3.94Å; E131-I181 HydrophobicContact CB-CD1 4.48Å; V142-I181 HydrophobicContact CG1-CG2 4.27Å; V142-I181 HydrophobicContact CG2-CG2 3.64Å; F177-I181 HydrophobicContact CD2-CB 3.75Å; F177-I181 HydrophobicContact CD2-CG1 3.81Å; F177-I181 HydrophobicContact CD2-CG2 4.11Å; F177-I181 HydrophobicContact CE2-CB 3.84Å; F177-I181 HydrophobicContact CE2-CG1 4.26Å; F177-I181 HydrophobicContact CE2-CG2 3.69Å; F177-I181 WeakPolarHBondContact O-CB 3.34Å; F177-I181 PolarHBondContact O-N 2.91Å |
| 182 | L | 96.9 | Very high | 97.8 | Very high | 46 Ų | 46 | 42 Ų | 42 | 24% | 0.241 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.7 | -180 | -68 | -176 | 0 | 0 | 0 | 113.6 | V142 F177 Y178 S184 | V142-L182 HydrophobicContact CG1-CD2 3.48Å; V142-L182 VanDerWaalsContact CG1-CD2 3.48Å; F177-L182 HydrophobicContact CD1-CD1 4.07Å; F177-L182 HydrophobicContact CD1-CG 4.32Å; F177-L182 HydrophobicContact CE1-CD1 3.31Å; F177-L182 HydrophobicContact CE1-CD2 4.44Å; F177-L182 HydrophobicContact CE1-CG 3.64Å; F177-L182 HydrophobicContact CE2-CG 4.5Å; F177-L182 HydrophobicContact CZ-CD1 3.85Å; F177-L182 HydrophobicContact CZ-CD2 4.14Å; F177-L182 HydrophobicContact CZ-CG 3.74Å; F177-L182 PolarHBondContact O-N 3.24Å; Y178-L182 HydrophobicContact CD1-CB 4.49Å; Y178-L182 HydrophobicContact CD1-CD1 3.59Å; Y178-L182 HydrophobicContact CE1-CD1 3.72Å; Y178-L182 CarbonylContact O-C 3.59Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å |
| 183 | N | 96.1 | Very high | 97.8 | Very high | 142 Ų | 142 | 46.4 Ų | 46.4 | 76% | 0.759 | 23% | 0.234 | S | C | * | . | trans | 46.4 | 45.1 | -177.4 | -164.5 | 52.6 | 0 | 0 | 0 | 111.9 | Y178 Y179 P185 | Y178-N183 PolarHBondContact O-N 3Å; Y179-N183 WeakPolarHBondContact O-CA 3.2Å; Y179-N183 PolarHBondContact O-N 3.45Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å | ||
| 184 | S | 97.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | trans | -121.7 | 69.5 | -174.2 | -64.9 | 0 | 0 | 0 | 0 | 109.9 | Y178 L182 E186 K187 A188 | Y178-S184 PolarHBondContact O-N 3.49Å; L182-S184 PolarHBondContact O-N 3.44Å; L182-S184 VanDerWaalsContact O-N 3.14Å; L182-S184 PolarHBondContact O-OG 2.79Å; S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; S184-A188 PolarHBondContact O-N 3.32Å | ||
| 185 | P | 96.7 | Very high | 97.7 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.2 | -33.7 | -174.1 | 24.4 | -33.7 | 0 | 0 | 0 | 113 | Y179 N183 K187 A188 C189 T232 | Y179-P185 HydrophobicContact CD2-CB 3.97Å; Y179-P185 HydrophobicContact CE2-CB 3.9Å; N183-P185 VanDerWaalsContact C-CD 3.44Å; N183-P185 WeakPolarHBondContact O-CD 3.49Å; P185-K187 PolarHBondContact O-N 3.31Å; P185-A188 PolarHBondContact O-N 2.93Å; P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å |
| 186 | E | 96.4 | Very high | 97.7 | Very high | 136 Ų | 136 | 49.9 Ų | 49.9 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 178.5 | -54.2 | 75.9 | -166.1 | 0 | 0 | 111.1 | S184 S190 | S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 PolarHBondContact O-N 3.39Å; E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å |
| 187 | K | 97.7 | Very high | 97.7 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 176.1 | -69.9 | -176.9 | -179.4 | 170.9 | 0 | 111.3 | Y178 S184 P185 S190 L191 | Y178-K187 HydrophobicContact CD1-CB 3.91Å; Y178-K187 HydrophobicContact CD1-CD 4.05Å; Y178-K187 HydrophobicContact CD2-CB 4.45Å; Y178-K187 HydrophobicContact CE1-CB 4.37Å; Y178-K187 HydrophobicContact CE1-CD 3.97Å; Y178-K187 HydrophobicContact CG-CB 3.98Å; S184-K187 PolarHBondContact O-N 3.46Å; S184-K187 VanDerWaalsContact O-N 3.16Å; P185-K187 PolarHBondContact O-N 3.31Å; K187-S190 PolarHBondContact O-N 3.04Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å |
| 188 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.1 | -52.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | S175 Y179 S184 P185 L191 A192 W228 | S175-A188 WeakPolarHBondContact CB-O 3.38Å; S175-A188 VanDerWaalsContact O-CB 3.25Å; S175-A188 WeakPolarHBondContact O-CB 3.38Å; Y179-A188 HydrophobicContact CD2-CB 4.35Å; S184-A188 PolarHBondContact O-N 3.32Å; P185-A188 PolarHBondContact O-N 2.93Å; A188-L191 PolarHBondContact O-N 3.01Å; A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å |
| 189 | C | 98.1 | Very high | 97.6 | Very high | 21 Ų | 21 | 54.4 Ų | 54.4 | 14% | 0.142 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | 178.5 | -70.8 | 0 | 0 | 0 | 0 | 112 | P185 L191 A192 K193 L225 | P185-C189 WeakPolarHBondContact O-CB 3.35Å; P185-C189 PolarHBondContact O-N 3.16Å; P185-C189 PolarHBondContact O-SG 3.14Å; P185-C189 VanDerWaalsContact O-SG 3.33Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; C189-A192 PolarHBondContact O-N 3.17Å; C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å |
| 190 | S | 98 | Very high | 97.5 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 51% | 0.51 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111.8 | E186 K187 T194 | E186-S190 WeakPolarHBondContact O-CB 3.42Å; E186-S190 PolarHBondContact O-N 3.01Å; K187-S190 PolarHBondContact O-N 3.04Å; S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å |
| 191 | L | 98.4 | Very high | 97.5 | Very high | 19 Ų | 19 | 55.2 Ų | 55.2 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.3 | -49.7 | 179.5 | 178.1 | 62.2 | 0 | 0 | 0 | 111.5 | F153 F174 Y178 K187 A188 C189 K193 T194 A195 | F153-L191 HydrophobicContact CE1-CD1 4.23Å; F153-L191 HydrophobicContact CE2-CD1 3.63Å; F153-L191 HydrophobicContact CZ-CD1 3.39Å; F174-L191 HydrophobicContact CB-CD2 3.81Å; F174-L191 HydrophobicContact CD1-CD2 3.75Å; F174-L191 HydrophobicContact CG-CD2 3.82Å; Y178-L191 HydrophobicContact CD2-CD2 4Å; Y178-L191 HydrophobicContact CE2-CD2 3.91Å; K187-L191 WeakPolarHBondContact O-CB 3.49Å; K187-L191 PolarHBondContact O-N 3.27Å; A188-L191 PolarHBondContact O-N 3.01Å; C189-L191 VanDerWaalsContact C-N 3.33Å; C189-L191 PolarHBondContact O-N 3.22Å; L191-K193 PolarHBondContact O-N 2.89Å; L191-T194 PolarHBondContact O-N 3.26Å; L191-A195 PolarHBondContact O-N 3.41Å |
| 192 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.8 | -42.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A188 C189 A195 F196 L221 L225 W228 | A188-A192 WeakPolarHBondContact O-CB 3.33Å; A188-A192 PolarHBondContact O-N 3.19Å; C189-A192 PolarHBondContact O-N 3.17Å; A192-A195 PolarHBondContact O-N 3.33Å; A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å |
| 193 | K | 98.1 | Very high | 97.2 | Very high | 113 Ų | 113 | 57.1 Ų | 57.1 | 49% | 0.491 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -46 | 177.2 | -175.1 | 178.4 | -175.3 | -61.1 | 0 | 111.6 | C189 L191 A195 F196 D197 L225 | C189-K193 WeakPolarHBondContact O-CB 3.44Å; C189-K193 PolarHBondContact O-N 2.93Å; L191-K193 PolarHBondContact O-N 2.89Å; K193-A195 PolarHBondContact O-N 3.01Å; K193-F196 PolarHBondContact O-N 3.43Å; K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å |
| 194 | T | 98.4 | Very high | 96.9 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 36% | 0.356 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 111 | S190 L191 F196 D197 E198 | S190-T194 WeakPolarHBondContact O-CB 3.48Å; S190-T194 PolarHBondContact O-N 3.24Å; S190-T194 PolarHBondContact O-OG1 3.09Å; L191-T194 PolarHBondContact O-N 3.26Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; T194-D197 PolarHBondContact O-N 2.92Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å |
| 195 | A | 98.3 | Very high | 96.5 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A171 L191 A192 K193 A199 L221 | A171-A195 HydrophobicContact CB-CB 3.44Å; A171-A195 VanDerWaalsContact CB-CB 3.44Å; L191-A195 PolarHBondContact O-N 3.41Å; A192-A195 PolarHBondContact O-N 3.33Å; K193-A195 PolarHBondContact O-N 3.01Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; A195-L221 HydrophobicContact CB-CD1 4.36Å |
| 196 | F | 98 | Very high | 96 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 16% | 0.158 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 176.7 | -175.7 | -99.3 | 0 | 0 | 0 | 112 | A192 K193 T194 A199 I200 M218 L221 R222 | A192-F196 WeakPolarHBondContact O-CB 3.28Å; A192-F196 PolarHBondContact O-N 3.31Å; K193-F196 PolarHBondContact O-N 3.43Å; T194-F196 VanDerWaalsContact C-N 3.34Å; T194-F196 PolarHBondContact O-N 3.22Å; F196-A199 PolarHBondContact O-N 3.26Å; F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å |
| 197 | D | 98.1 | Very high | 95.6 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.374 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -43.8 | -179.6 | -69.1 | -15.4 | 0 | 0 | 0 | 111.4 | K193 T194 A199 I200 A201 | K193-D197 WeakPolarHBondContact CG-OD2 3.42Å; K193-D197 IonicContact NZ-OD2 2.7Å; K193-D197 PolarHBondContact NZ-OD2 3.35Å; K193-D197 WeakPolarHBondContact O-CB 3.36Å; K193-D197 VanDerWaalsContact O-CG 3.22Å; K193-D197 PolarHBondContact O-N 3.49Å; T194-D197 PolarHBondContact O-N 2.92Å; D197-A199 PolarHBondContact O-N 3.22Å; D197-I200 PolarHBondContact O-N 2.96Å; D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å |
| 198 | E | 97.6 | Very high | 95.1 | Very high | 67 Ų | 67 | 61.4 Ų | 61.4 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175.4 | -72.1 | 177.4 | 174.9 | 0 | 0 | 111.5 | P162 R167 T194 A201 E202 | P162-E198 HydrophobicContact CB-CB 3.84Å; P162-E198 HydrophobicContact CG-CB 4.27Å; R167-E198 IonicContact CZ-OE2 3.59Å; R167-E198 IonicContact NH2-OE2 2.86Å; R167-E198 PolarHBondContact NH2-OE2 3.38Å; T194-E198 HydrophobicContact CG2-CG 4.26Å; T194-E198 WeakPolarHBondContact CG2-OE1 3.49Å; T194-E198 WeakPolarHBondContact O-CB 3.21Å; T194-E198 VanDerWaalsContact O-CG 3.26Å; T194-E198 WeakPolarHBondContact O-CG 3.27Å; T194-E198 PolarHBondContact O-N 3.31Å; E198-A201 PolarHBondContact O-N 3.49Å; E198-E202 PolarHBondContact O-N 3.42Å |
| 199 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72.5 | -34.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T163 L168 A195 F196 D197 A201 E202 L203 M218 | T163-A199 HydrophobicContact CG2-CB 4.35Å; T163-A199 WeakPolarHBondContact CG2-O 3.29Å; L168-A199 HydrophobicContact CD1-CB 4.5Å; L168-A199 HydrophobicContact CD2-CB 3.72Å; A195-A199 VanDerWaalsContact O-CB 3.27Å; A195-A199 WeakPolarHBondContact O-CB 3.3Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-A199 VanDerWaalsContact O-N 3.08Å; F196-A199 PolarHBondContact O-N 3.26Å; D197-A199 PolarHBondContact O-N 3.22Å; A199-A201 VanDerWaalsContact C-N 3.32Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å |
| 200 | I | 96.3 | Very high | 94.1 | Very high | 85 Ų | 85 | 70.4 Ų | 70.4 | 44% | 0.436 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 172.1 | -79.8 | -176 | 0 | 0 | 0 | 110.8 | F196 D197 E202 L203 M218 | F196-I200 HydrophobicContact CD1-CD1 3.63Å; F196-I200 HydrophobicContact CD1-CG1 4.35Å; F196-I200 HydrophobicContact CE1-CD1 3.08Å; F196-I200 HydrophobicContact CE1-CG1 4.14Å; F196-I200 HydrophobicContact CE2-CD1 4.19Å; F196-I200 HydrophobicContact CG-CD1 4.39Å; F196-I200 HydrophobicContact CZ-CD1 3.41Å; F196-I200 VanDerWaalsContact CZ-CD1 3.41Å; F196-I200 HydrophobicContact CZ-CG1 4.28Å; F196-I200 WeakPolarHBondContact O-CB 3.26Å; F196-I200 WeakPolarHBondContact O-CG1 3.35Å; F196-I200 PolarHBondContact O-N 2.89Å; D197-I200 PolarHBondContact O-N 2.96Å; I200-E202 PolarHBondContact O-N 2.77Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å |
| 201 | A | 96.4 | Very high | 93.8 | Very high | 88 Ų | 88 | 72.7 Ų | 72.7 | 73% | 0.727 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.7 | -24.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D197 E198 A199 | D197-A201 PolarHBondContact O-N 3.2Å; D197-A201 VanDerWaalsContact O-N 3.1Å; E198-A201 PolarHBondContact O-N 3.49Å; A199-A201 VanDerWaalsContact C-N 3.32Å |
| 202 | E | 95.3 | Very high | 93.6 | Very high | 75 Ų | 75 | 79.4 Ų | 79.4 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 10.5 | -179.6 | -65.2 | -173.3 | -152.8 | 0 | 0 | 113 | P162 T163 E198 A199 I200 D204 T205 | P162-E202 WeakPolarHBondContact CD-OE2 3.43Å; T163-E202 HydrophobicContact CG2-CB 3.96Å; T163-E202 WeakPolarHBondContact CG2-O 3.28Å; E198-E202 PolarHBondContact O-N 3.42Å; A199-E202 CarbonylContact O-C 3.42Å; A199-E202 PolarHBondContact O-N 3.33Å; I200-E202 PolarHBondContact O-N 2.77Å; E202-D204 PolarHBondContact O-N 2.94Å; E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å |
| 203 | L | 92.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 83.6 Ų | 83.6 | 21% | 0.209 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | -61.2 | -33.8 | -173 | -170.9 | 62.1 | 0 | 0 | 0 | 112.7 | A199 I200 T205 L206 T215 M218 | A199-L203 WeakPolarHBondContact O-CA 3.34Å; A199-L203 WeakPolarHBondContact O-CB 3.5Å; A199-L203 PolarHBondContact O-N 3.01Å; I200-L203 WeakPolarHBondContact O-CB 3.24Å; I200-L203 PolarHBondContact O-N 2.9Å; L203-T205 PolarHBondContact O-N 2.94Å; L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L203-T215 HydrophobicContact CD1-CG2 4.16Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å |
| 204 | D | 90.6 | Very high | 93.3 | Very high | 171 Ų | 171 | 78.2 Ų | 78.2 | 91% | 0.914 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -66.9 | -15.2 | 179.3 | -68.1 | -24.8 | 0 | 0 | 0 | 113.4 | E202 | E202-D204 PolarHBondContact O-N 2.94Š|
| 205 | T | 87.4 | Confident | 93.2 | Very high | 91 Ų | 91 | 77.5 Ų | 77.5 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -91.2 | -1.9 | 178.3 | 75.1 | 0 | 0 | 0 | 0 | 113.1 | E202 L203 | E202-T205 PolarHBondContact O-N 3.41Å; E202-T205 PolarHBondContact O-OG1 2.95Å; L203-T205 PolarHBondContact O-N 2.94Å |
| 206 | L | 87.9 | Confident | 93.2 | Very high | 26 Ų | 26 | 81.8 Ų | 81.8 | 14% | 0.136 | 43% | 0.427 | C | S | . | . | trans | -75.3 | 137.7 | -171.9 | -167.6 | 56.1 | 0 | 0 | 0 | 111.8 | L203 Y211 | L203-L206 HydrophobicContact CD1-CD2 3.97Å; L203-L206 VanDerWaalsContact O-CB 3.22Å; L203-L206 WeakPolarHBondContact O-CB 3.29Å; L203-L206 PolarHBondContact O-N 3.36Å; L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å | ||
| 207 | S | 87.2 | Confident | 93.2 | Very high | 60 Ų | 60 | 81.4 Ų | 81.4 | 42% | 0.42 | 43% | 0.426 | S | S | . | . | trans | -70.4 | 151.8 | 174.1 | 69 | 0 | 0 | 0 | 0 | 111.5 | E209 S210 Y211 | S207-E209 PolarHBondContact O-N 3.08Å; S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å | ||
| 208 | E | 87.1 | Confident | 93.2 | Very high | 185 Ų | 185 | 78.5 Ų | 78.5 | 86% | 0.864 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.7 | -35.6 | 176.9 | -169.5 | 176.3 | -179.7 | 0 | 0 | 112.2 | Y211 | E208-Y211 PolarHBondContact O-N 3.36Å |
| 209 | E | 86.7 | Confident | 93.2 | Very high | 176 Ų | 176 | 78.3 Ų | 78.3 | 82% | 0.822 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.5 | -41.4 | 178.4 | -174.2 | 177.7 | -170.8 | 0 | 0 | 112.7 | S207 | S207-E209 PolarHBondContact O-N 3.08Å |
| 210 | S | 89.7 | Confident | 93.3 | Very high | 35 Ų | 35 | 81.9 Ų | 81.9 | 25% | 0.245 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -90.9 | -11.5 | -179.2 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | S207 K212 D213 S214 | S207-S210 PolarHBondContact O-N 2.78Å; S207-S210 VanDerWaalsContact O-N 3.15Å; S207-S210 PolarHBondContact OG-N 2.92Å; S210-K212 PolarHBondContact O-N 3.45Å; S210-D213 PolarHBondContact O-N 3.45Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å |
| 211 | Y | 91.4 | Very high | 93.4 | Very high | 120 Ų | 120 | 77.9 Ų | 77.9 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -57.2 | -49.3 | -173.1 | -169.7 | -91.2 | 0 | 0 | 0 | 112.5 | L206 S207 E208 T215 | L206-Y211 HydrophobicContact CB-CD2 4.45Å; L206-Y211 HydrophobicContact CD2-CD2 4.08Å; L206-Y211 HydrophobicContact CG-CD2 4.48Å; S207-Y211 WeakPolarHBondContact O-CB 3.37Å; S207-Y211 PolarHBondContact O-N 3.28Å; E208-Y211 PolarHBondContact O-N 3.36Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å |
| 212 | K | 93.8 | Very high | 93.4 | Very high | 160 Ų | 160 | 79.2 Ų | 79.2 | 70% | 0.696 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -62.7 | -47.2 | -177.4 | -175.3 | -176.8 | 175.4 | -172.8 | 0 | 112.4 | S210 T215 L216 | S210-K212 PolarHBondContact O-N 3.45Å; K212-T215 PolarHBondContact O-OG1 3.45Å; K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å |
| 213 | D | 94.5 | Very high | 93.6 | Very high | 88 Ų | 88 | 78.8 Ų | 78.8 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -70.3 | -42.2 | -176.3 | -70.8 | -13.6 | 0 | 0 | 0 | 111.3 | P165 S210 L216 I217 | P165-D213 HydrophobicContact CB-CB 4.19Å; P165-D213 HydrophobicContact CG-CB 4.14Å; S210-D213 PolarHBondContact O-N 3.45Å; D213-L216 PolarHBondContact O-N 3.29Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å |
| 214 | S | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66 | -46.4 | -179.5 | -48.6 | 0 | 0 | 0 | 0 | 111.4 | T163 P165 S210 L216 I217 M218 | T163-S214 WeakPolarHBondContact O-CB 3.48Å; T163-S214 PolarHBondContact O-OG 3.02Å; P165-S214 WeakPolarHBondContact CD-OG 3.22Å; P165-S214 WeakPolarHBondContact CG-OG 3.44Å; S210-S214 WeakPolarHBondContact O-CB 3.38Å; S210-S214 PolarHBondContact O-N 2.75Å; S210-S214 PolarHBondContact O-OG 3.36Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å |
| 215 | T | 96.5 | Very high | 94.1 | Very high | 43 Ų | 43 | 71.7 Ų | 71.7 | 26% | 0.264 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65 | -36.3 | 179.1 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | L203 Y211 K212 M218 Q219 | L203-T215 HydrophobicContact CD1-CG2 4.16Å; Y211-T215 HydrophobicContact CD1-CG2 4.17Å; Y211-T215 HydrophobicContact CE1-CG2 3.87Å; Y211-T215 HydrophobicContact CE2-CG2 4.24Å; Y211-T215 HydrophobicContact CG-CG2 4.49Å; Y211-T215 WeakPolarHBondContact O-CB 3.48Å; Y211-T215 VanDerWaalsContact O-CG2 3.29Å; Y211-T215 WeakPolarHBondContact O-CG2 3.4Å; Y211-T215 PolarHBondContact O-N 3.45Å; Y211-T215 PolarHBondContact O-OG1 3.49Å; K212-T215 PolarHBondContact O-OG1 3.45Å; T215-M218 PolarHBondContact O-N 2.99Å; T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å |
| 216 | L | 97.2 | Very high | 94.5 | Very high | 101 Ų | 101 | 71.4 Ų | 71.4 | 53% | 0.529 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 172.2 | 178.4 | 62.1 | 0 | 0 | 0 | 111.6 | K212 D213 S214 Q219 L220 | K212-L216 WeakPolarHBondContact O-CB 3.4Å; K212-L216 PolarHBondContact O-N 2.86Å; K212-L216 VanDerWaalsContact O-N 3.13Å; D213-L216 PolarHBondContact O-N 3.29Å; S214-L216 VanDerWaalsContact C-N 3.34Å; S214-L216 PolarHBondContact O-N 3.28Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å |
| 217 | I | 98 | Very high | 94.8 | Very high | 28 Ų | 28 | 74.5 Ų | 74.5 | 14% | 0.144 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70 | -39.9 | 178.8 | -61.8 | 164.1 | 0 | 0 | 0 | 111.2 | P165 L168 L172 D213 S214 Q219 L220 L221 | P165-I217 HydrophobicContact CB-CD1 4.17Å; P165-I217 VanDerWaalsContact O-CD1 3.29Å; P165-I217 WeakPolarHBondContact O-CD1 3.44Å; L168-I217 HydrophobicContact CB-CB 4.18Å; L168-I217 HydrophobicContact CB-CD1 4.46Å; L168-I217 HydrophobicContact CB-CG2 3.64Å; L172-I217 HydrophobicContact CB-CG2 4.28Å; L172-I217 HydrophobicContact CD2-CG2 4.18Å; D213-I217 WeakPolarHBondContact O-CD1 3.43Å; D213-I217 VanDerWaalsContact O-CG1 3.25Å; D213-I217 WeakPolarHBondContact O-CG1 3.46Å; D213-I217 PolarHBondContact O-N 3.02Å; D213-I217 VanDerWaalsContact O-N 3.08Å; S214-I217 PolarHBondContact O-N 2.84Å; S214-I217 VanDerWaalsContact O-N 3.15Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; I217-L221 PolarHBondContact O-N 3.38Å |
| 218 | M | 98 | Very high | 95.2 | Very high | 9 Ų | 9 | 72 Ų | 72 | 4% | 0.044 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 174.2 | -70.1 | 169.9 | 72.5 | 0 | 0 | 111.7 | L168 F196 A199 I200 L203 S214 T215 L221 R222 | L168-M218 HydrophobicContact CD1-CG 3.91Å; L168-M218 HydrophobicContact CD1-SD 4.37Å; L168-M218 HydrophobicContact CD2-CG 4.1Å; F196-M218 HydrophobicContact CD2-CB 4.08Å; F196-M218 WeakPolarHBondContact CD2-O 3.4Å; F196-M218 HydrophobicContact CE2-CB 4.08Å; F196-M218 WeakPolarHBondContact CE2-O 3.32Å; A199-M218 HydrophobicContact CB-CE 3.87Å; A199-M218 HydrophobicContact CB-CG 4.3Å; A199-M218 HydrophobicContact CB-SD 3.94Å; I200-M218 HydrophobicContact CB-CE 4.4Å; I200-M218 HydrophobicContact CG1-CE 3.49Å; I200-M218 VanDerWaalsContact CG1-CE 3.49Å; L203-M218 HydrophobicContact CD1-CE 4.31Å; L203-M218 HydrophobicContact CD1-SD 3.93Å; L203-M218 HydrophobicContact CD2-CE 4.49Å; S214-M218 VanDerWaalsContact O-CG 3.27Å; S214-M218 WeakPolarHBondContact O-CG 3.33Å; S214-M218 PolarHBondContact O-N 3.14Å; T215-M218 PolarHBondContact O-N 2.99Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; M218-R222 PolarHBondContact O-N 3.42Å |
| 219 | Q | 98 | Very high | 95.4 | Very high | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 173.3 | 177.4 | 55.6 | 38.8 | 0 | 0 | 111.5 | T215 L216 I217 L221 R222 D223 | T215-Q219 WeakPolarHBondContact O-CB 3.45Å; T215-Q219 PolarHBondContact O-N 2.98Å; L216-Q219 WeakPolarHBondContact O-CB 3.5Å; L216-Q219 PolarHBondContact O-N 3.36Å; I217-Q219 VanDerWaalsContact C-N 3.28Å; I217-Q219 PolarHBondContact O-N 3.2Å; Q219-L221 PolarHBondContact O-N 3.36Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å |
| 220 | L | 98.4 | Very high | 95.4 | Very high | 75 Ų | 75 | 60.6 Ų | 60.6 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 176.7 | -65.9 | 171.7 | 0 | 0 | 0 | 112.6 | L172 L216 I217 R222 D223 N224 | L172-L220 HydrophobicContact CD1-CB 4.1Å; L172-L220 HydrophobicContact CD2-CB 3.92Å; L172-L220 HydrophobicContact CD2-CD1 3.92Å; L216-L220 WeakPolarHBondContact O-CG 3.5Å; L216-L220 PolarHBondContact O-N 2.64Å; L216-L220 VanDerWaalsContact O-N 3.15Å; I217-L220 WeakPolarHBondContact O-CB 3.46Å; I217-L220 PolarHBondContact O-N 2.94Å; I217-L220 VanDerWaalsContact O-N 3.16Å; L220-R222 VanDerWaalsContact C-N 3.35Å; L220-D223 PolarHBondContact O-N 3.24Å; L220-N224 PolarHBondContact O-N 3.3Å |
| 221 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 173.8 | -78.2 | 167.9 | 0 | 0 | 0 | 111.5 | L168 L172 A192 A195 F196 I217 M218 Q219 N224 L225 | L168-L221 HydrophobicContact CD2-CD1 3.98Å; L172-L221 HydrophobicContact CB-CD2 3.92Å; L172-L221 HydrophobicContact CB-CG 4.23Å; L172-L221 HydrophobicContact CD1-CD2 3.98Å; L172-L221 HydrophobicContact CD1-CG 4.19Å; A192-L221 HydrophobicContact CB-CD2 3.85Å; A195-L221 HydrophobicContact CB-CD1 4.36Å; F196-L221 HydrophobicContact CD2-CB 4.42Å; I217-L221 PolarHBondContact O-N 3.38Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.85Å; Q219-L221 PolarHBondContact O-N 3.36Å; L221-N224 PolarHBondContact O-N 3.2Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å |
| 222 | R | 97.7 | Very high | 93.8 | Very high | 116 Ų | 116 | 58.6 Ų | 58.6 | 44% | 0.438 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.3 | -172 | -172.3 | 73.7 | -173.1 | 6.1 | 112.3 | F196 M218 Q219 L220 L225 T226 | F196-R222 HydrophobicContact CD2-CB 4.41Å; F196-R222 HydrophobicContact CE2-CB 3.86Å; F196-R222 HydrophobicContact CE2-CG 4.48Å; F196-R222 HydrophobicContact CZ-CB 4.13Å; F196-R222 HydrophobicContact CZ-CG 4.25Å; M218-R222 PolarHBondContact O-N 3.42Å; Q219-R222 WeakPolarHBondContact O-CB 3.27Å; Q219-R222 PolarHBondContact O-N 3.03Å; L220-R222 VanDerWaalsContact C-N 3.35Å; R222-L225 PolarHBondContact O-N 2.91Å; R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å |
| 223 | D | 97.9 | Very high | 92.4 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -66.9 | -41.2 | -179 | -65 | -13 | 0 | 0 | 0 | 110.7 | Q219 L220 T226 L227 | Q219-D223 PolarHBondContact NE2-OD1 3.05Å; Q219-D223 PolarHBondContact NE2-OD2 3.12Å; Q219-D223 PolarHBondContact O-N 3.3Å; L220-D223 PolarHBondContact O-N 3.24Å; D223-T226 PolarHBondContact O-N 2.88Å; D223-L227 PolarHBondContact O-N 2.93Å |
| 224 | N | 97.1 | Very high | 90.6 | Very high | 37 Ų | 37 | 55 Ų | 55 | 20% | 0.198 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 172 | -78.6 | 1.5 | 0 | 0 | 0 | 112.4 | L172 L220 L221 T226 L227 W228 | L172-N224 VanDerWaalsContact CD1-ND2 3.32Å; L172-N224 WeakPolarHBondContact CD1-ND2 3.46Å; L220-N224 PolarHBondContact O-N 3.3Å; L221-N224 PolarHBondContact O-N 3.2Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; N224-L227 PolarHBondContact O-N 2.7Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å |
| 225 | L | 96.9 | Very high | 88.6 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.131 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58 | -42.5 | 176.4 | -76.8 | 167.7 | 0 | 0 | 0 | 111.7 | C189 A192 K193 L221 R222 T229 | C189-L225 HydrophobicContact CB-CD2 4.12Å; C189-L225 WeakPolarHBondContact O-CD2 3.41Å; A192-L225 HydrophobicContact CB-CD1 4.32Å; A192-L225 HydrophobicContact CB-CD2 3.84Å; A192-L225 HydrophobicContact CB-CG 3.92Å; K193-L225 HydrophobicContact CB-CD1 4.18Å; K193-L225 HydrophobicContact CB-CD2 4.07Å; L221-L225 WeakPolarHBondContact O-CG 3.28Å; L221-L225 PolarHBondContact O-N 3.28Å; R222-L225 PolarHBondContact O-N 2.91Å; L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å |
| 226 | T | 96.1 | Very high | 86.3 | Confident | 85 Ų | 85 | 65.5 Ų | 65.5 | 52% | 0.521 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | R222 D223 N224 T229 S230 | R222-T226 PolarHBondContact O-N 3.27Å; R222-T226 PolarHBondContact O-OG1 3.45Å; D223-T226 PolarHBondContact O-N 2.88Å; N224-T226 VanDerWaalsContact C-N 3.27Å; N224-T226 PolarHBondContact O-N 3.42Å; T226-T229 PolarHBondContact O-OG1 3.41Å; T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å |
| 227 | L | 94.8 | Very high | 84 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 48% | 0.476 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 179.5 | -178.6 | 66.1 | 0 | 0 | 0 | 112.3 | D223 N224 T229 S230 D231 | D223-L227 PolarHBondContact O-N 2.93Å; N224-L227 PolarHBondContact O-N 2.7Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; L227-D231 PolarHBondContact O-N 2.92Å |
| 228 | W | 95.2 | Very high | 81.4 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 3% | 0.03 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.4 | -25.6 | -174.4 | -57.3 | -26.8 | 0 | 0 | 0 | 113.3 | S175 V176 Y179 A188 A192 N224 T232 | S175-W228 WeakPolarHBondContact OG-CH2 3.4Å; V176-W228 HydrophobicContact CG2-CH2 3.96Å; V176-W228 HydrophobicContact CG2-CZ2 3.98Å; Y179-W228 AromaticContact CD1-CD1 3.81Å; Y179-W228 AromaticContact CD1-CE2 3.95Å; Y179-W228 HydrophobicContact CD1-CZ2 4.47Å; Y179-W228 AromaticContact CD1-NE1 3.4Å; Y179-W228 HydrophobicContact CD2-CB 4.07Å; Y179-W228 AromaticContact CD2-CD1 3.58Å; Y179-W228 AromaticContact CD2-CD2 3.77Å; Y179-W228 HydrophobicContact CD2-CD2 3.77Å; Y179-W228 AromaticContact CD2-CE2 3.91Å; Y179-W228 HydrophobicContact CD2-CE3 4.49Å; Y179-W228 AromaticContact CD2-CG 3.55Å; Y179-W228 HydrophobicContact CD2-CG 3.55Å; Y179-W228 AromaticContact CD2-NE1 3.79Å; Y179-W228 AromaticContact CE1-CD1 3.49Å; Y179-W228 VanDerWaalsContact CE1-CD1 3.49Å; Y179-W228 HydrophobicContact CE1-CG 4.4Å; Y179-W228 AromaticContact CE1-NE1 3.48Å; Y179-W228 HydrophobicContact CE2-CB 3.68Å; Y179-W228 AromaticContact CE2-CD1 3.27Å; Y179-W228 HydrophobicContact CE2-CD2 4.16Å; Y179-W228 AromaticContact CE2-CG 3.43Å; Y179-W228 HydrophobicContact CE2-CG 3.43Å; Y179-W228 VanDerWaalsContact CE2-CG 3.43Å; Y179-W228 AromaticContact CE2-NE1 3.88Å; Y179-W228 AromaticContact CG-CD1 3.85Å; Y179-W228 HydrophobicContact CG-CD2 4.02Å; Y179-W228 AromaticContact CG-CE2 3.67Å; Y179-W228 HydrophobicContact CG-CG 4.12Å; Y179-W228 HydrophobicContact CG-CZ2 4.15Å; Y179-W228 AromaticContact CG-NE1 3.56Å; Y179-W228 AromaticContact CZ-CD1 3.21Å; Y179-W228 AromaticContact CZ-CG 3.88Å; Y179-W228 AromaticContact CZ-NE1 3.73Å; A188-W228 HydrophobicContact CB-CE3 4.08Å; A188-W228 HydrophobicContact CB-CZ3 3.97Å; A192-W228 HydrophobicContact CB-CZ3 4.37Å; N224-W228 HydrophobicContact CB-CD2 4.19Å; N224-W228 HydrophobicContact CB-CE3 4.05Å; N224-W228 HydrophobicContact CB-CH2 3.66Å; N224-W228 HydrophobicContact CB-CZ2 3.78Å; N224-W228 HydrophobicContact CB-CZ3 3.79Å; N224-W228 WeakPolarHBondContact ND2-CH2 3.49Å; N224-W228 WeakPolarHBondContact O-CB 3.42Å; N224-W228 VanDerWaalsContact O-CD2 3.26Å; N224-W228 PolarHBondContact O-N 3.14Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å |
| 229 | T | 90.5 | Very high | 78.9 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 36% | 0.362 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -79.7 | -26.3 | 174.2 | 54.2 | 0 | 0 | 0 | 0 | 113 | L225 T226 L227 T232 Q233 | L225-T229 WeakPolarHBondContact O-CB 3.44Å; L225-T229 VanDerWaalsContact O-CG2 3.24Å; L225-T229 WeakPolarHBondContact O-CG2 3.49Å; L225-T229 PolarHBondContact O-N 3.09Å; L225-T229 PolarHBondContact O-OG1 3.12Å; T226-T229 PolarHBondContact O-OG1 3.41Å; L227-T229 VanDerWaalsContact C-N 3.34Å; L227-T229 PolarHBondContact O-N 3.34Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å |
| 230 | S | 86.7 | Confident | 76.2 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 43% | 0.427 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 169.7 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | T226 L227 Q233 G234 | T226-S230 PolarHBondContact O-N 2.85Å; T226-S230 PolarHBondContact O-OG 2.9Å; L227-S230 PolarHBondContact O-N 3.07Å; L227-S230 PolarHBondContact O-OG 3.02Å; S230-Q233 PolarHBondContact O-N 2.96Å; S230-G234 PolarHBondContact O-N 2.87Å |
| 231 | D | 77.6 | Confident | 73.6 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 37% | 0.369 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 179.6 | -69.9 | -5 | 0 | 0 | 0 | 111.1 | Y179 L227 Q233 G234 D235 | Y179-D231 PolarHBondContact OH-OD2 3.03Å; L227-D231 PolarHBondContact O-N 2.92Å; D231-Q233 PolarHBondContact O-N 2.85Å; D231-G234 PolarHBondContact O-N 3.24Å; D231-D235 PolarHBondContact O-N 3.49Å |
| 232 | T | 70.7 | Confident | 70.8 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 27% | 0.27 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -33.5 | 178.3 | 35.2 | 0 | 0 | 0 | 0 | 113.8 | P185 W228 T229 E236 | P185-T232 HydrophobicContact CB-CG2 4.14Å; P185-T232 HydrophobicContact CG-CG2 4.21Å; W228-T232 PolarHBondContact O-N 2.82Å; W228-T232 PolarHBondContact O-OG1 3.37Å; T229-T232 WeakPolarHBondContact CA-OG1 3.27Å; T229-T232 PolarHBondContact O-OG1 2.95Å; T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å |
| 233 | Q | 63.9 | Low | 67.7 | Low | 134 Ų | 134 | 81 Ų | 81 | 63% | 0.626 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -72.9 | -29.4 | 175 | -72.1 | 176.3 | 22.7 | 0 | 0 | 112.9 | T229 S230 D231 A237 | T229-Q233 WeakPolarHBondContact O-CG 3.33Å; T229-Q233 PolarHBondContact O-N 3.05Å; S230-Q233 PolarHBondContact O-N 2.96Å; D231-Q233 PolarHBondContact O-N 2.85Å; Q233-A237 PolarHBondContact O-N 3.35Å |
| 234 | G | 57.4 | Low | 65 | Low | 38 Ų | 38 | 87.1 Ų | 87.1 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | S230 D231 A237 E238 | S230-G234 PolarHBondContact O-N 2.87Å; D231-G234 PolarHBondContact O-N 3.24Å; G234-A237 PolarHBondContact O-N 3.43Å; G234-E238 PolarHBondContact O-N 3.14Å |
| 235 | D | 53.4 | Low | 62.3 | Low | 119 Ų | 119 | 97 Ų | 97 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.5 | -34.5 | 179 | -72.1 | -15 | 0 | 0 | 0 | 112.5 | D231 A239 | D231-D235 PolarHBondContact O-N 3.49Å; D235-A239 PolarHBondContact O-N 3.43Å |
| 236 | E | 49 | Very low | 60.5 | Low | 146 Ų | 146 | 100.6 Ų | 100.6 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -69.7 | -34 | 175 | -75.3 | -177.3 | 177.1 | 0 | 0 | 112.8 | T232 A239 G240 | T232-E236 WeakPolarHBondContact O-CG 3.47Å; T232-E236 PolarHBondContact O-N 3.36Å; E236-A239 PolarHBondContact O-N 3.37Å; E236-G240 PolarHBondContact O-N 2.97Å |
| 237 | A | 47.6 | Very low | 58.7 | Low | 64 Ų | 64 | 101.4 Ų | 101.4 | 53% | 0.529 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.9 | -37.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q233 G234 G240 | Q233-A237 PolarHBondContact O-N 3.35Å; G234-A237 PolarHBondContact O-N 3.43Å; A237-G240 PolarHBondContact O-N 3.17Å |
| 238 | E | 43.2 | Very low | 56.7 | Low | 172 Ų | 172 | 102 Ų | 102 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -73 | -27.8 | 175.3 | -69.7 | -166 | 172.6 | 0 | 0 | 112.9 | G234 G240 | G234-E238 PolarHBondContact O-N 3.14Å; E238-G240 VanDerWaalsContact C-N 3.33Å |
| 239 | A | 47 | Very low | 54.4 | Low | 86 Ų | 86 | 107.5 Ų | 107.5 | 71% | 0.711 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.4 | -17.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D235 E236 | D235-A239 PolarHBondContact O-N 3.43Å; E236-A239 PolarHBondContact O-N 3.37Å |
| 240 | G | 41.3 | Very low | 52.1 | Low | 61 Ų | 61 | 110.6 Ų | 110.6 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -86.7 | -21.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E236 A237 E238 G242 | E236-G240 PolarHBondContact O-N 2.97Å; A237-G240 PolarHBondContact O-N 3.17Å; E238-G240 VanDerWaalsContact C-N 3.33Å; G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å |
| 241 | E | 43.6 | Very low | 49.8 | Very low | 188 Ų | 188 | 113.9 Ų | 113.9 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 31.3 | -174.1 | -68.7 | -163 | 168.1 | 0 | 0 | 114.5 | ||
| 242 | G | 38.7 | Very low | 47.8 | Very low | 79 Ų | 79 | 117.1 Ų | 117.1 | 81% | 0.814 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | 5.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G240 | G240-G242 VanDerWaalsContact C-N 3.33Å; G240-G242 PolarHBondContact O-N 2.83Å |
| 243 | G | 34.1 | Very low | 46.1 | Very low | 67 Ų | 67 | 122.7 Ų | 122.7 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | -146.3 | 76.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 244 | E | 41 | Very low | 44.6 | Very low | 196 Ų | 196 | 121.8 Ų | 121.8 | 92% | 0.916 | 75% | 0.749 | S | S | * | * | trans | -138 | 110.6 | 154.2 | -70.8 | -166.2 | 160.1 | 0 | 0 | 110.8 | ||||
| 245 | N | 38.9 | Very low | 43.4 | Very low | 245 Ų | 245 | 129.4 Ų | 129.4 | 100% | 1.31 | 78% | 0.782 | S | S | * | * | trans | 12 | 0 | 159.9 | -63.9 | -30.7 | 0 | 0 | 0 | 120.4 |
Retrieved 245 of 245 residues in 80.1 ms
(Link to these results)