| 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 | 54.3 | Low | 66 | Low | 176 Ų | 176 | 54.6 Ų | 54.6 | 87% | 0.867 | 28% | 0.28 | S | S | * | . | 0 | 130.5 | 0 | -84.6 | -162.4 | -86.5 | 0 | 0 | 107.3 | I3 E306 | M1-I3 PolarHBondContact O-N 2.79Å; M1-E306 VanDerWaalsContact C-OE1 3.27Å; M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CB-OE1 3.16Å; M1-E306 VanDerWaalsContact CG-OE1 3.3Å; M1-E306 WeakPolarHBondContact CG-OE1 3.36Å | |||
| 2 | T | 65 | Low | 66.2 | Low | 20 Ų | 20 | 52.1 Ų | 52.1 | 12% | 0.123 | 27% | 0.268 | C | S | . | . | trans | -58.8 | 130.6 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 109.3 | S4 D304 E306 | T2-S4 PolarHBondContact O-N 3.04Å; T2-D304 PolarHBondContact OG1-O 3.3Å; T2-D304 VanDerWaalsContact OG1-O 3.11Å; T2-E306 PolarHBondContact N-OE1 2.91Å | ||
| 3 | I | 65.6 | Low | 66.8 | Low | 17 Ų | 17 | 51.4 Ų | 51.4 | 9% | 0.087 | 27% | 0.271 | C | S | . | . | trans | -90.5 | 97.2 | -173.1 | -58.1 | -176.1 | 0 | 0 | 0 | 109.8 | M1 R23 R25 D302 L611 | M1-I3 PolarHBondContact O-N 2.79Å; I3-R23 VanDerWaalsContact CG2-NH1 3.27Å; I3-R25 HydrophobicContact CD1-CB 3.35Å; I3-R25 WeakPolarHBondContact CD1-O 3.48Å; I3-D302 HydrophobicContact CD1-CB 4.15Å; I3-L611 HydrophobicContact CG2-CD2 4.4Å | ||
| 4 | S | 70.8 | Confident | 67.2 | Low | 50 Ų | 50 | 52.8 Ų | 52.8 | 35% | 0.35 | 28% | 0.278 | S | S | . | . | trans | -72.1 | 132.2 | 172.8 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | T2 R23 | T2-S4 PolarHBondContact O-N 3.04Å; S4-R23 PolarHBondContact O-NH1 2.94Å; S4-R23 PolarHBondContact O-NH2 3.34Å | ||
| 5 | Y | 74.6 | Confident | 67.6 | Low | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | trans | -131.3 | 4.4 | 172.1 | 65 | -90 | 0 | 0 | 0 | 112.5 | K7 E8 L20 P608 V609 L611 T614 L668 | Y5-K7 PolarHBondContact O-N 3.42Å; Y5-K7 VanDerWaalsContact O-N 3.15Å; Y5-E8 WeakPolarHBondContact O-CB 3.47Å; Y5-E8 PolarHBondContact O-N 2.93Å; Y5-L20 HydrophobicContact CD2-CD1 3.82Å; Y5-L20 HydrophobicContact CD2-CD2 3.94Å; Y5-L20 HydrophobicContact CE2-CD1 4.04Å; Y5-L20 HydrophobicContact CG-CD2 4.06Å; Y5-P608 HydrophobicContact CD1-CG 4.17Å; Y5-P608 HydrophobicContact CE1-CB 4.1Å; Y5-P608 HydrophobicContact CE1-CG 4Å; Y5-V609 WeakPolarHBondContact CE1-O 3.37Å; Y5-V609 VanDerWaalsContact CZ-O 3.29Å; Y5-V609 PolarHBondContact OH-O 2.96Å; Y5-L611 HydrophobicContact CD1-CB 4.14Å; Y5-L611 HydrophobicContact CD1-CD1 4.04Å; Y5-L611 HydrophobicContact CE1-CB 4Å; Y5-L611 HydrophobicContact CE1-CD1 4.22Å; Y5-L611 HydrophobicContact CG-CD1 4.29Å; Y5-T614 PolarHBondContact OH-OG1 3.44Å; Y5-L668 HydrophobicContact CD2-CD2 4.27Å; Y5-L668 HydrophobicContact CE2-CD1 4Å; Y5-L668 HydrophobicContact CE2-CD2 3.51Å; Y5-L668 HydrophobicContact CE2-CG 4.42Å | ||
| 6 | T | 68.7 | Low | 68.2 | Low | 9 Ų | 9 | 47.4 Ų | 47.4 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -52.3 | -43 | -176 | -47.2 | 0 | 0 | 0 | 0 | 111.7 | E8 C9 A10 D605 N669 | T6-E8 VanDerWaalsContact C-N 3.28Å; T6-E8 PolarHBondContact O-N 3.46Å; T6-C9 CarbonylContact O-C 3.56Å; T6-C9 PolarHBondContact O-N 3.19Å; T6-A10 PolarHBondContact O-N 2.7Å; T6-D605 WeakPolarHBondContact CG2-OD1 3.17Å; T6-N669 HydrophobicContact CG2-CB 3.94Å; T6-N669 PolarHBondContact O-ND2 3.04Å |
| 7 | K | 70.8 | Confident | 68.7 | Low | 176 Ų | 176 | 44.7 Ų | 44.7 | 77% | 0.765 | 24% | 0.239 | S | C | * | . | G | 310 helix | trans | -56.7 | -36.1 | 175.9 | 176.5 | -177.8 | 171.8 | -173.6 | 0 | 113.8 | Y5 C9 A10 | Y5-K7 PolarHBondContact O-N 3.42Å; Y5-K7 VanDerWaalsContact O-N 3.15Å; K7-C9 PolarHBondContact O-N 2.68Å; K7-A10 VanDerWaalsContact O-CB 3.32Å; K7-A10 WeakPolarHBondContact O-CB 3.35Å; K7-A10 PolarHBondContact O-N 3.15Å |
| 8 | E | 68.2 | Low | 69.3 | Low | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -71.8 | -17.7 | -179.5 | -63.6 | 171.6 | -165.6 | 0 | 0 | 111.9 | Y5 T6 L20 R23 | Y5-E8 WeakPolarHBondContact O-CB 3.47Å; Y5-E8 PolarHBondContact O-N 2.93Å; T6-E8 VanDerWaalsContact C-N 3.28Å; T6-E8 PolarHBondContact O-N 3.46Å; E8-L20 HydrophobicContact CB-CD2 4.44Å; E8-L20 WeakPolarHBondContact OE2-CD2 3.31Å; E8-R23 IonicContact OE1-NH1 2.79Å |
| 9 | C | 63 | Low | 70 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -99.9 | 11 | 175.9 | -60.3 | 0 | 0 | 0 | 0 | 113.4 | T6 K7 T11 L668 N669 | T6-C9 CarbonylContact O-C 3.56Å; T6-C9 PolarHBondContact O-N 3.19Å; K7-C9 PolarHBondContact O-N 2.68Å; C9-T11 PolarHBondContact O-N 3.44Å; C9-L668 HydrophobicContact CB-CD2 4.13Å; C9-N669 HydrophobicContact CB-CB 4.03Å |
| 10 | A | 56.1 | Low | 70.5 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 7% | 0.066 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -69.8 | -13.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T6 K7 T518 N669 G672 E673 | T6-A10 PolarHBondContact O-N 2.7Å; K7-A10 VanDerWaalsContact O-CB 3.32Å; K7-A10 WeakPolarHBondContact O-CB 3.35Å; K7-A10 PolarHBondContact O-N 3.15Å; A10-T518 HydrophobicContact CB-CG2 3.68Å; A10-N669 VanDerWaalsContact CA-ND2 3.27Å; A10-N669 WeakPolarHBondContact CA-ND2 3.09Å; A10-N669 PolarHBondContact N-ND2 3.06Å; A10-G672 CarbonylContact O-C 3.26Å; A10-G672 WeakPolarHBondContact O-CA 3.39Å; A10-E673 PolarHBondContact O-N 3.4Å |
| 11 | T | 68.7 | Low | 71.1 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 36% | 0.356 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -140.3 | 146.5 | 164.9 | 50.6 | 0 | 0 | 0 | 0 | 108.7 | C9 S13 N16 E673 D674 | C9-T11 PolarHBondContact O-N 3.44Å; T11-S13 PolarHBondContact O-N 3.22Å; T11-N16 PolarHBondContact O-ND2 3.48Å; T11-E673 HydrophobicContact CG2-CB 3.88Å; T11-D674 WeakPolarHBondContact CA-OD2 3.24Å |
| 12 | V | 69.1 | Low | 72.5 | Confident | 24 Ų | 24 | 48 Ų | 48 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | trans | -80.6 | 100.1 | 169.8 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | I404 K662 Q665 V666 D674 | V12-I404 HydrophobicContact CG1-CB 4.18Å; V12-I404 HydrophobicContact CG1-CG2 4.41Å; V12-K662 HydrophobicContact CG1-CD 3.8Å; V12-Q665 HydrophobicContact CG2-CB 4.24Å; V12-Q665 HydrophobicContact CG2-CG 3.81Å; V12-V666 HydrophobicContact CB-CG2 4.3Å; V12-V666 HydrophobicContact CG2-CB 4.18Å; V12-V666 HydrophobicContact CG2-CG2 3.34Å; V12-D674 WeakPolarHBondContact CG2-OD2 3.36Å; V12-D674 PolarHBondContact N-OD1 2.82Å; V12-D674 PolarHBondContact N-OD2 3.01Å | ||
| 13 | S | 73.2 | Confident | 73.4 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | trans | -119.7 | 162.9 | 168.4 | 61 | 0 | 0 | 0 | 0 | 112.7 | T11 G15 N16 | T11-S13 PolarHBondContact O-N 3.22Å; S13-G15 PolarHBondContact O-N 3.31Å; S13-N16 PolarHBondContact N-ND2 2.89Å; S13-N16 PolarHBondContact O-N 3.21Å; S13-N16 PolarHBondContact OG-ND2 3.01Å; S13-N16 PolarHBondContact OG-OD1 2.59Å | ||
| 14 | L | 72.6 | Confident | 74.3 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 37% | 0.372 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 123.6 | 173.7 | -177.7 | 75.3 | 0 | 0 | 0 | 109.8 | K407 D408 I411 | L14-K407 HydrophobicContact CB-CD 4.44Å; L14-K407 HydrophobicContact CD1-CB 4.14Å; L14-D408 HydrophobicContact CD1-CB 4.36Å; L14-I411 HydrophobicContact CD1-CD1 3.64Å; L14-I411 HydrophobicContact CD2-CD1 3.37Å; L14-I411 HydrophobicContact CG-CD1 4.11Å |
| 15 | G | 73.2 | Confident | 74.9 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82 | 6.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | S13 L18 R19 | S13-G15 PolarHBondContact O-N 3.31Å; G15-L18 CarbonylContact O-C 3.31Å; G15-L18 WeakPolarHBondContact O-CB 3.34Å; G15-L18 PolarHBondContact O-N 2.81Å; G15-R19 WeakPolarHBondContact O-CG 3.4Å; G15-R19 PolarHBondContact O-N 3.45Å |
| 16 | N | 76.7 | Confident | 75 | Confident | 8 Ų | 8 | 62.4 Ų | 62.4 | 4% | 0.043 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 179 | -71.5 | -3.4 | 0 | 0 | 0 | 112.8 | T11 S13 L18 R19 L20 | T11-N16 PolarHBondContact O-ND2 3.48Å; S13-N16 PolarHBondContact N-ND2 2.89Å; S13-N16 PolarHBondContact O-N 3.21Å; S13-N16 PolarHBondContact OG-ND2 3.01Å; S13-N16 PolarHBondContact OG-OD1 2.59Å; N16-L18 VanDerWaalsContact C-N 3.28Å; N16-L18 PolarHBondContact O-N 3.4Å; N16-R19 WeakPolarHBondContact O-CB 3.41Å; N16-R19 PolarHBondContact O-N 3.45Å; N16-R19 VanDerWaalsContact O-N 3.16Å; N16-L20 PolarHBondContact O-N 3.38Å; N16-L20 VanDerWaalsContact O-N 3.14Å |
| 17 | F | 77.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -31.1 | 172.1 | -86 | 16.9 | 0 | 0 | 0 | 112.7 | R19 L20 L21 F458 T614 T618 L661 Q665 L668 | F17-R19 VanDerWaalsContact C-N 3.35Å; F17-L20 HydrophobicContact CD1-CD1 3.74Å; F17-L20 HydrophobicContact CE1-CD1 4.06Å; F17-L20 HydrophobicContact CG-CD1 4.5Å; F17-L20 WeakPolarHBondContact O-CB 3.3Å; F17-L20 PolarHBondContact O-N 3.05Å; F17-L21 PolarHBondContact O-N 3.24Å; F17-F458 HydrophobicContact CE2-CE1 4.47Å; F17-T614 HydrophobicContact CD1-CG2 4.35Å; F17-T614 HydrophobicContact CD2-CG2 4.28Å; F17-T614 HydrophobicContact CE1-CG2 4Å; F17-T614 HydrophobicContact CE2-CG2 3.97Å; F17-T614 HydrophobicContact CG-CG2 4.47Å; F17-T614 HydrophobicContact CZ-CG2 3.8Å; F17-T618 HydrophobicContact CB-CG2 3.9Å; F17-T618 WeakPolarHBondContact CD2-OG1 3.46Å; F17-L661 HydrophobicContact CD2-CD1 3.84Å; F17-L661 HydrophobicContact CD2-CD2 4.38Å; F17-L661 HydrophobicContact CD2-CG 4Å; F17-L661 HydrophobicContact CE2-CD1 3.79Å; F17-L661 HydrophobicContact CE2-CG 4.21Å; F17-Q665 HydrophobicContact CD1-CB 4.26Å; F17-Q665 HydrophobicContact CD1-CG 3.76Å; F17-Q665 HydrophobicContact CD2-CB 4.49Å; F17-Q665 HydrophobicContact CE1-CB 3.69Å; F17-Q665 HydrophobicContact CE1-CG 3.4Å; F17-Q665 HydrophobicContact CE2-CB 3.92Å; F17-Q665 HydrophobicContact CE2-CG 4.46Å; F17-Q665 HydrophobicContact CG-CG 4.48Å; F17-Q665 HydrophobicContact CZ-CB 3.49Å; F17-Q665 VanDerWaalsContact CZ-CB 3.49Å; F17-Q665 HydrophobicContact CZ-CG 3.79Å; F17-L668 HydrophobicContact CZ-CD1 4.49Å |
| 18 | L | 78.8 | Confident | 76.5 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 29% | 0.293 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 171.7 | -67.4 | 174.6 | 0 | 0 | 0 | 111.6 | G15 N16 L20 L21 F22 Y622 | G15-L18 CarbonylContact O-C 3.31Å; G15-L18 WeakPolarHBondContact O-CB 3.34Å; G15-L18 PolarHBondContact O-N 2.81Å; N16-L18 VanDerWaalsContact C-N 3.28Å; N16-L18 PolarHBondContact O-N 3.4Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.45Å; L18-L21 HydrophobicContact CD2-CD1 3.91Å; L18-L21 VanDerWaalsContact O-CB 3.25Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.44Å; L18-F22 WeakPolarHBondContact O-CD2 3.49Å; L18-Y622 HydrophobicContact CD1-CE1 4.06Å; L18-Y622 HydrophobicContact CD2-CD1 3.98Å; L18-Y622 HydrophobicContact CD2-CD2 3.85Å; L18-Y622 HydrophobicContact CD2-CE1 3.99Å; L18-Y622 HydrophobicContact CD2-CE2 3.86Å; L18-Y622 HydrophobicContact CD2-CG 3.92Å; L18-Y622 HydrophobicContact CG-CE1 4.17Å; L18-Y622 HydrophobicContact CG-CE2 4.12Å |
| 19 | R | 82.6 | Confident | 77.4 | Confident | 167 Ų | 167 | 53.4 Ų | 53.4 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.3 | -38.4 | 173.4 | -71.2 | 173.8 | -174.8 | 169.8 | 1.2 | 111.5 | G15 N16 F17 L21 F22 | G15-R19 WeakPolarHBondContact O-CG 3.4Å; G15-R19 PolarHBondContact O-N 3.45Å; N16-R19 WeakPolarHBondContact O-CB 3.41Å; N16-R19 PolarHBondContact O-N 3.45Å; N16-R19 VanDerWaalsContact O-N 3.16Å; F17-R19 VanDerWaalsContact C-N 3.35Å; R19-L21 PolarHBondContact O-N 2.88Å; R19-F22 PolarHBondContact O-N 3.32Å |
| 20 | L | 81.1 | Confident | 78.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -34.5 | 174 | -63.8 | -178.9 | 0 | 0 | 0 | 111.7 | Y5 E8 N16 F17 L18 F22 R23 L611 T614 Q615 | Y5-L20 HydrophobicContact CD2-CD1 3.82Å; Y5-L20 HydrophobicContact CD2-CD2 3.94Å; Y5-L20 HydrophobicContact CE2-CD1 4.04Å; Y5-L20 HydrophobicContact CG-CD2 4.06Å; E8-L20 HydrophobicContact CB-CD2 4.44Å; E8-L20 WeakPolarHBondContact OE2-CD2 3.31Å; N16-L20 PolarHBondContact O-N 3.38Å; N16-L20 VanDerWaalsContact O-N 3.14Å; F17-L20 HydrophobicContact CD1-CD1 3.74Å; F17-L20 HydrophobicContact CE1-CD1 4.06Å; F17-L20 HydrophobicContact CG-CD1 4.5Å; F17-L20 WeakPolarHBondContact O-CB 3.3Å; F17-L20 PolarHBondContact O-N 3.05Å; L18-L20 VanDerWaalsContact C-N 3.27Å; L18-L20 PolarHBondContact O-N 3.45Å; L20-F22 PolarHBondContact O-N 2.88Å; L20-R23 WeakPolarHBondContact O-CB 3.42Å; L20-R23 PolarHBondContact O-N 3.4Å; L20-L611 HydrophobicContact CB-CD1 3.95Å; L20-L611 HydrophobicContact CD1-CD1 4.31Å; L20-L611 HydrophobicContact CD2-CD1 4.01Å; L20-L611 HydrophobicContact CG-CD1 4.32Å; L20-T614 HydrophobicContact CD1-CG2 3.8Å; L20-Q615 PolarHBondContact O-NE2 3.11Å |
| 21 | L | 81.6 | Confident | 80 | Confident | 17 Ų | 17 | 59 Ų | 59 | 9% | 0.089 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -27.2 | 174.4 | -57.9 | -175.1 | 0 | 0 | 0 | 113 | F17 L18 R19 R23 Y29 Q615 T618 I619 | F17-L21 PolarHBondContact O-N 3.24Å; L18-L21 HydrophobicContact CD2-CD1 3.91Å; L18-L21 VanDerWaalsContact O-CB 3.25Å; L18-L21 WeakPolarHBondContact O-CB 3.33Å; L18-L21 PolarHBondContact O-N 3.44Å; R19-L21 PolarHBondContact O-N 2.88Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.97Å; L21-Y29 WeakPolarHBondContact O-CE2 3.32Å; L21-Q615 HydrophobicContact CD2-CB 3.89Å; L21-Q615 HydrophobicContact CD2-CG 3.98Å; L21-T618 HydrophobicContact CD1-CG2 3.98Å; L21-T618 HydrophobicContact CD2-CG2 3.92Å; L21-T618 HydrophobicContact CG-CG2 3.99Å; L21-I619 HydrophobicContact CD1-CG1 4.11Å; L21-I619 HydrophobicContact CD2-CD1 4.1Å; L21-I619 HydrophobicContact CD2-CG1 3.62Å |
| 22 | F | 84.3 | Confident | 81.1 | Confident | 182 Ų | 182 | 56.3 Ų | 56.3 | 80% | 0.798 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.1 | -178.8 | -64.8 | -70.7 | 0 | 0 | 0 | 113.9 | L18 R19 L20 | L18-F22 WeakPolarHBondContact O-CD2 3.49Å; R19-F22 PolarHBondContact O-N 3.32Å; L20-F22 PolarHBondContact O-N 2.88Å |
| 23 | R | 84 | Confident | 82.2 | Confident | 76 Ų | 76 | 60.1 Ų | 60.1 | 29% | 0.287 | 27% | 0.266 | S | S | . | . | trans | -78.3 | 132.9 | 174.9 | -156.2 | 172.6 | -157.9 | 176.8 | -1 | 109.8 | I3 S4 E8 L20 L21 S27 L611 | I3-R23 VanDerWaalsContact CG2-NH1 3.27Å; S4-R23 PolarHBondContact O-NH1 2.94Å; S4-R23 PolarHBondContact O-NH2 3.34Å; E8-R23 IonicContact OE1-NH1 2.79Å; L20-R23 WeakPolarHBondContact O-CB 3.42Å; L20-R23 PolarHBondContact O-N 3.4Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.97Å; R23-S27 WeakPolarHBondContact O-CB 3.46Å; R23-S27 PolarHBondContact O-OG 3.4Å; R23-L611 HydrophobicContact CB-CD2 4.08Å; R23-L611 HydrophobicContact CG-CD2 4.2Å | ||
| 24 | W | 85.4 | Confident | 83 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 53% | 0.534 | 29% | 0.287 | S | S | . | . | trans | -90.3 | -47.5 | -177 | -178.8 | -111.1 | 0 | 0 | 0 | 114.4 | S27 K30 L33 | W24-S27 WeakPolarHBondContact O-CB 3.34Å; W24-S27 PolarHBondContact O-N 3.05Å; W24-S27 PolarHBondContact O-OG 2.94Å; W24-K30 HydrophobicContact CD2-CB 4.28Å; W24-K30 HydrophobicContact CH2-CB 4.33Å; W24-K30 HydrophobicContact CZ2-CB 4.04Å; W24-K30 HydrophobicContact CZ2-CG 4.25Å; W24-K30 WeakPolarHBondContact O-CB 3.49Å; W24-L33 HydrophobicContact CH2-CD2 4.15Å; W24-L33 HydrophobicContact CZ2-CD2 4.48Å | ||
| 25 | R | 82.4 | Confident | 84 | Confident | 175 Ų | 175 | 66.5 Ų | 66.5 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | 139.9 | 176.8 | -67.2 | -171.9 | 177.7 | -179.8 | -1 | 109.7 | I3 S27 | I3-R25 HydrophobicContact CD1-CB 3.35Å; I3-R25 WeakPolarHBondContact CD1-O 3.48Å; R25-S27 PolarHBondContact O-N 2.92Å |
| 26 | G | 76.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 22.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D302 | G26-D302 WeakPolarHBondContact CA-OD2 3.33Å; G26-D302 PolarHBondContact N-OD2 3.17Å |
| 27 | S | 87 | Confident | 85.7 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -98.3 | 153.1 | -175.1 | 78.8 | 0 | 0 | 0 | 0 | 112.7 | R23 W24 R25 Y29 K30 I31 | R23-S27 WeakPolarHBondContact O-CB 3.46Å; R23-S27 PolarHBondContact O-OG 3.4Å; W24-S27 WeakPolarHBondContact O-CB 3.34Å; W24-S27 PolarHBondContact O-N 3.05Å; W24-S27 PolarHBondContact O-OG 2.94Å; R25-S27 PolarHBondContact O-N 2.92Å; S27-Y29 PolarHBondContact O-N 2.88Å; S27-Y29 PolarHBondContact OG-N 2.97Å; S27-K30 PolarHBondContact O-N 3.26Å; S27-K30 PolarHBondContact OG-N 3.33Å; S27-K30 VanDerWaalsContact OG-N 3.14Å; S27-I31 WeakPolarHBondContact O-CG1 3.47Å; S27-I31 PolarHBondContact O-N 2.88Å | ||
| 28 | I | 85.2 | Confident | 86.5 | Confident | 1 Ų | 1 | 77.6 Ų | 77.6 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.6 | -37.7 | 170.2 | -163 | -170.4 | 0 | 0 | 0 | 111.6 | I31 L32 V612 Q615 V616 I619 | I28-I31 PolarHBondContact O-N 3.19Å; I28-L32 HydrophobicContact CD1-CD1 3.88Å; I28-L32 HydrophobicContact CG1-CD1 3.57Å; I28-L32 HydrophobicContact CG1-CG 4.14Å; I28-L32 VanDerWaalsContact O-CB 3.27Å; I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 WeakPolarHBondContact O-CG 3.21Å; I28-L32 PolarHBondContact O-N 3.36Å; I28-V612 HydrophobicContact CB-CG2 3.99Å; I28-V612 HydrophobicContact CG1-CG2 4.24Å; I28-Q615 HydrophobicContact CB-CB 4.37Å; I28-Q615 HydrophobicContact CG2-CB 4.04Å; I28-V616 HydrophobicContact CD1-CB 4.4Å; I28-V616 HydrophobicContact CD1-CG2 3.41Å; I28-V616 VanDerWaalsContact CD1-CG2 3.41Å; I28-V616 HydrophobicContact CG1-CG2 4Å; I28-I619 HydrophobicContact CD1-CD1 4Å; I28-I619 HydrophobicContact CG2-CD1 3.71Å |
| 29 | Y | 87.3 | Confident | 87.3 | Confident | 79 Ų | 79 | 75.5 Ų | 75.5 | 31% | 0.31 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | -179 | -52.4 | -75.7 | 0 | 0 | 0 | 111.8 | L21 S27 I31 L33 I619 | L21-Y29 WeakPolarHBondContact O-CE2 3.32Å; S27-Y29 PolarHBondContact O-N 2.88Å; S27-Y29 PolarHBondContact OG-N 2.97Å; Y29-I31 VanDerWaalsContact C-N 3.3Å; Y29-I31 PolarHBondContact O-N 3.47Å; Y29-L33 WeakPolarHBondContact O-CB 3.36Å; Y29-L33 PolarHBondContact O-N 3.31Å; Y29-I619 HydrophobicContact CE1-CD1 4.34Å |
| 30 | K | 87.5 | Confident | 87.8 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 38% | 0.383 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 176.7 | 179.1 | -174.5 | 168.4 | -168.7 | 0 | 110.7 | W24 S27 D302 | W24-K30 HydrophobicContact CD2-CB 4.28Å; W24-K30 HydrophobicContact CH2-CB 4.33Å; W24-K30 HydrophobicContact CZ2-CB 4.04Å; W24-K30 HydrophobicContact CZ2-CG 4.25Å; W24-K30 WeakPolarHBondContact O-CB 3.49Å; S27-K30 PolarHBondContact O-N 3.26Å; S27-K30 PolarHBondContact OG-N 3.33Å; S27-K30 VanDerWaalsContact OG-N 3.14Å; K30-D302 IonicContact NZ-OD1 2.91Å; K30-D302 PolarHBondContact NZ-OD1 3.44Å; K30-D302 IonicContact NZ-OD2 3.27Å; K30-D302 PolarHBondContact NZ-OD2 3.24Å |
| 31 | I | 86 | Confident | 88.5 | Confident | 40 Ų | 40 | 72.6 Ų | 72.6 | 21% | 0.205 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -77.1 | -32.7 | -175.7 | -61.3 | 160.8 | 0 | 0 | 0 | 111.9 | S27 I28 Y29 K289 V293 V612 | S27-I31 WeakPolarHBondContact O-CG1 3.47Å; S27-I31 PolarHBondContact O-N 2.88Å; I28-I31 PolarHBondContact O-N 3.19Å; Y29-I31 VanDerWaalsContact C-N 3.3Å; Y29-I31 PolarHBondContact O-N 3.47Å; I31-K289 HydrophobicContact CG2-CB 3.79Å; I31-K289 HydrophobicContact CG2-CD 3.81Å; I31-K289 HydrophobicContact CG2-CG 3.77Å; I31-V293 HydrophobicContact CD1-CG2 3.93Å; I31-V612 HydrophobicContact CD1-CB 4.49Å; I31-V612 HydrophobicContact CD1-CG2 4.27Å |
| 32 | L | 91 | Very high | 89.1 | Confident | 1 Ų | 1 | 74.2 Ų | 74.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -92 | -9.3 | -179.5 | -69.2 | 179.9 | 0 | 0 | 0 | 114.7 | I28 R34 E35 T36 L282 M285 K289 | I28-L32 HydrophobicContact CD1-CD1 3.88Å; I28-L32 HydrophobicContact CG1-CD1 3.57Å; I28-L32 HydrophobicContact CG1-CG 4.14Å; I28-L32 VanDerWaalsContact O-CB 3.27Å; I28-L32 WeakPolarHBondContact O-CB 3.38Å; I28-L32 WeakPolarHBondContact O-CG 3.21Å; I28-L32 PolarHBondContact O-N 3.36Å; L32-R34 PolarHBondContact O-N 3.43Å; L32-R34 VanDerWaalsContact O-N 3.11Å; L32-E35 PolarHBondContact O-N 3.15Å; L32-E35 VanDerWaalsContact O-N 3.16Å; L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 2.97Å; L32-T36 VanDerWaalsContact O-OG1 3.14Å; L32-L282 HydrophobicContact CD1-CD2 3.75Å; L32-M285 HydrophobicContact CD2-CB 3.84Å; L32-K289 HydrophobicContact CD2-CB 4.34Å; L32-K289 HydrophobicContact CD2-CG 3.53Å; L32-K289 HydrophobicContact CG-CG 4.46Å |
| 33 | L | 91.4 | Very high | 89.6 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -50.9 | -44.5 | -170 | -178.6 | 65.1 | 0 | 0 | 0 | 112.9 | W24 Y29 L37 | W24-L33 HydrophobicContact CH2-CD2 4.15Å; W24-L33 HydrophobicContact CZ2-CD2 4.48Å; Y29-L33 WeakPolarHBondContact O-CB 3.36Å; Y29-L33 PolarHBondContact O-N 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 PolarHBondContact O-N 3.28Å; L33-L37 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 91.1 | Very high | 90 | Very high | 199 Ų | 199 | 65.4 Ų | 65.4 | 75% | 0.751 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -70.5 | -48.4 | -177.4 | -66.8 | 179.5 | 178.4 | 175.2 | -0.3 | 111.1 | L32 L37 I38 | L32-R34 PolarHBondContact O-N 3.43Å; L32-R34 VanDerWaalsContact O-N 3.11Å; R34-L37 PolarHBondContact O-N 2.55Å; R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.28Å; R34-I38 PolarHBondContact O-N 3.42Å |
| 35 | E | 92.6 | Very high | 90.5 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 23% | 0.234 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | -179.6 | -70.2 | 83.5 | 166.6 | 0 | 0 | 111.3 | L32 I38 F39 F281 M285 K289 | L32-E35 PolarHBondContact O-N 3.15Å; L32-E35 VanDerWaalsContact O-N 3.16Å; E35-I38 PolarHBondContact O-N 3.44Å; E35-F39 WeakPolarHBondContact O-CB 3.4Å; E35-F39 PolarHBondContact O-N 2.91Å; E35-F281 HydrophobicContact CB-CE1 4.19Å; E35-F281 HydrophobicContact CB-CZ 4.01Å; E35-M285 HydrophobicContact CG-CE 4.39Å; E35-K289 WeakPolarHBondContact OE1-CE 3.5Å; E35-K289 IonicContact OE1-NZ 3.34Å; E35-K289 PolarHBondContact OE1-NZ 3.36Å |
| 36 | T | 92.8 | Very high | 91 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -41.6 | 175.4 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | L32 T40 | L32-T36 WeakPolarHBondContact O-CB 3.44Å; L32-T36 PolarHBondContact O-N 2.87Å; L32-T36 PolarHBondContact O-OG1 2.97Å; L32-T36 VanDerWaalsContact O-OG1 3.14Å; T36-T40 VanDerWaalsContact O-CB 3.3Å; T36-T40 WeakPolarHBondContact O-CB 3.37Å; T36-T40 PolarHBondContact O-N 3.1Å; T36-T40 PolarHBondContact O-OG1 3.32Å |
| 37 | L | 94 | Very high | 91.7 | Very high | 114 Ų | 114 | 57.6 Ų | 57.6 | 60% | 0.597 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.1 | -49.9 | 175.5 | -176.5 | 70.4 | 0 | 0 | 0 | 111.6 | L33 R34 F39 T40 V41 | L33-L37 WeakPolarHBondContact O-CB 3.41Å; L33-L37 PolarHBondContact O-N 3.28Å; L33-L37 VanDerWaalsContact O-N 3.08Å; R34-L37 PolarHBondContact O-N 2.55Å; L37-F39 PolarHBondContact O-N 2.7Å; L37-T40 PolarHBondContact O-N 3.28Å; L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 3.29Å |
| 38 | I | 94.8 | Very high | 91.9 | Very high | 108 Ų | 108 | 61.4 Ų | 61.4 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.1 | -49.3 | 178 | -68.1 | 165.4 | 0 | 0 | 0 | 110.1 | R34 E35 T40 V41 V42 | R34-I38 VanDerWaalsContact O-CG1 3.29Å; R34-I38 WeakPolarHBondContact O-CG1 3.28Å; R34-I38 PolarHBondContact O-N 3.42Å; E35-I38 PolarHBondContact O-N 3.44Å; I38-T40 VanDerWaalsContact C-N 3.29Å; I38-T40 PolarHBondContact O-N 3.39Å; I38-V41 PolarHBondContact O-N 3.26Å; I38-V42 HydrophobicContact CG2-CG2 4.23Å; I38-V42 WeakPolarHBondContact O-CB 3.46Å; I38-V42 VanDerWaalsContact O-CG2 3.27Å; I38-V42 WeakPolarHBondContact O-CG2 3.34Å; I38-V42 PolarHBondContact O-N 3.36Å |
| 39 | F | 95 | Very high | 92.3 | Very high | 12 Ų | 12 | 64.7 Ų | 64.7 | 5% | 0.053 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 179.4 | -178.5 | -97.4 | 0 | 0 | 0 | 112 | E35 L37 Y43 F251 L255 L277 L278 F281 | E35-F39 WeakPolarHBondContact O-CB 3.4Å; E35-F39 PolarHBondContact O-N 2.91Å; L37-F39 PolarHBondContact O-N 2.7Å; F39-Y43 WeakPolarHBondContact O-CB 3.36Å; F39-Y43 PolarHBondContact O-N 3.1Å; F39-F251 HydrophobicContact CD2-CB 4.45Å; F39-F251 HydrophobicContact CE2-CB 3.89Å; F39-F251 AromaticContact CE2-CD1 3.97Å; F39-F251 HydrophobicContact CE2-CD1 3.97Å; F39-F251 HydrophobicContact CE2-CG 4.26Å; F39-F251 HydrophobicContact CZ-CD1 4.09Å; F39-L255 HydrophobicContact CD2-CD1 4.32Å; F39-L255 HydrophobicContact CD2-CD2 3.85Å; F39-L255 HydrophobicContact CD2-CG 4.12Å; F39-L255 HydrophobicContact CE1-CD2 4.47Å; F39-L255 HydrophobicContact CE2-CD1 4.27Å; F39-L255 HydrophobicContact CE2-CD2 3.55Å; F39-L255 HydrophobicContact CE2-CG 3.64Å; F39-L255 HydrophobicContact CG-CD2 4.44Å; F39-L255 HydrophobicContact CZ-CD2 3.9Å; F39-L255 HydrophobicContact CZ-CG 4.29Å; F39-L277 HydrophobicContact CE1-CD2 3.93Å; F39-L277 HydrophobicContact CE1-CG 3.81Å; F39-L277 HydrophobicContact CZ-CD1 3.94Å; F39-L277 HydrophobicContact CZ-CD2 3.67Å; F39-L277 HydrophobicContact CZ-CG 3.65Å; F39-L278 HydrophobicContact CD1-CD2 3.99Å; F39-L278 HydrophobicContact CE1-CD2 4.2Å; F39-F281 HydrophobicContact CB-CD2 4.2Å; F39-F281 HydrophobicContact CB-CE1 4.28Å; F39-F281 HydrophobicContact CB-CE2 3.67Å; F39-F281 HydrophobicContact CB-CZ 3.69Å; F39-F281 HydrophobicContact CD1-CB 4.44Å; F39-F281 AromaticContact CD1-CD2 3.79Å; F39-F281 HydrophobicContact CD1-CD2 3.79Å; F39-F281 HydrophobicContact CD1-CE2 4.15Å; F39-F281 HydrophobicContact CD1-CG 4.03Å; F39-F281 AromaticContact CD2-CD2 3.53Å; F39-F281 HydrophobicContact CD2-CD2 3.53Å; F39-F281 AromaticContact CD2-CE2 3.37Å; F39-F281 HydrophobicContact CD2-CE2 3.37Å; F39-F281 HydrophobicContact CD2-CZ 4.27Å; F39-F281 HydrophobicContact CE1-CB 4.26Å; F39-F281 AromaticContact CE1-CD2 3.99Å; F39-F281 HydrophobicContact CE1-CD2 3.99Å; F39-F281 HydrophobicContact CE1-CG 4.25Å; F39-F281 AromaticContact CE2-CD2 3.73Å; F39-F281 HydrophobicContact CE2-CD2 3.73Å; F39-F281 HydrophobicContact CE2-CE2 4Å; F39-F281 AromaticContact CG-CD2 3.55Å; F39-F281 HydrophobicContact CG-CD2 3.55Å; F39-F281 AromaticContact CG-CE2 3.44Å; F39-F281 HydrophobicContact CG-CE2 3.44Å; F39-F281 VanDerWaalsContact CG-CE2 3.44Å; F39-F281 HydrophobicContact CG-CG 4.16Å; F39-F281 AromaticContact CG-CZ 3.98Å; F39-F281 HydrophobicContact CG-CZ 3.98Å; F39-F281 AromaticContact CZ-CD2 3.95Å; F39-F281 HydrophobicContact CZ-CD2 3.95Å |
| 40 | T | 92.9 | Very high | 92.6 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | T36 L37 I38 Y43 Y44 | T36-T40 VanDerWaalsContact O-CB 3.3Å; T36-T40 WeakPolarHBondContact O-CB 3.37Å; T36-T40 PolarHBondContact O-N 3.1Å; T36-T40 PolarHBondContact O-OG1 3.32Å; L37-T40 PolarHBondContact O-N 3.28Å; I38-T40 VanDerWaalsContact C-N 3.29Å; I38-T40 PolarHBondContact O-N 3.39Å; T40-Y43 WeakPolarHBondContact O-CB 3.32Å; T40-Y43 PolarHBondContact O-N 3.16Å; T40-Y44 HydrophobicContact CG2-CD2 3.88Å; T40-Y44 HydrophobicContact CG2-CE2 3.6Å; T40-Y44 WeakPolarHBondContact O-CD2 3.17Å; T40-Y44 PolarHBondContact O-N 2.94Å; T40-Y44 VanDerWaalsContact O-N 3.12Å |
| 41 | V | 95 | Very high | 92.7 | Very high | 75 Ų | 75 | 60 Ų | 60 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.4 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | L37 I38 Y43 Y44 L45 | L37-V41 VanDerWaalsContact O-CG2 3.31Å; L37-V41 WeakPolarHBondContact O-CG2 3.41Å; L37-V41 PolarHBondContact O-N 3.29Å; I38-V41 PolarHBondContact O-N 3.26Å; V41-Y43 VanDerWaalsContact C-N 3.32Å; V41-Y43 PolarHBondContact O-N 3.48Å; V41-Y44 PolarHBondContact O-N 2.66Å; V41-L45 HydrophobicContact CG1-CD1 3.95Å; V41-L45 HydrophobicContact CG1-CG 4.31Å; V41-L45 WeakPolarHBondContact O-CG 3.44Å; V41-L45 PolarHBondContact O-N 3.49Å |
| 42 | V | 95.7 | Very high | 93 | Very high | 51 Ų | 51 | 67.1 Ų | 67.1 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | I38 Y44 L45 I46 L255 | I38-V42 HydrophobicContact CG2-CG2 4.23Å; I38-V42 WeakPolarHBondContact O-CB 3.46Å; I38-V42 VanDerWaalsContact O-CG2 3.27Å; I38-V42 WeakPolarHBondContact O-CG2 3.34Å; I38-V42 PolarHBondContact O-N 3.36Å; V42-Y44 VanDerWaalsContact C-N 3.35Å; V42-Y44 PolarHBondContact O-N 3.28Å; V42-L45 PolarHBondContact O-N 3.44Å; V42-I46 HydrophobicContact CG1-CD1 3.91Å; V42-I46 HydrophobicContact CG1-CG1 4.45Å; V42-I46 WeakPolarHBondContact O-CG1 3.11Å; V42-I46 PolarHBondContact O-N 3.05Å; V42-L255 HydrophobicContact CB-CD1 4.34Å; V42-L255 HydrophobicContact CG1-CD1 3.66Å; V42-L255 HydrophobicContact CG1-CD2 4.37Å |
| 43 | Y | 93.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.9 | -49.3 | 174.8 | -179.8 | -89.5 | 0 | 0 | 0 | 111.6 | F39 T40 V41 I46 N47 L255 R258 Q259 P274 L277 | F39-Y43 WeakPolarHBondContact O-CB 3.36Å; F39-Y43 PolarHBondContact O-N 3.1Å; T40-Y43 WeakPolarHBondContact O-CB 3.32Å; T40-Y43 PolarHBondContact O-N 3.16Å; V41-Y43 VanDerWaalsContact C-N 3.32Å; V41-Y43 PolarHBondContact O-N 3.48Å; Y43-I46 PolarHBondContact O-N 3.39Å; Y43-N47 WeakPolarHBondContact O-CB 3.45Å; Y43-N47 PolarHBondContact O-N 3.45Å; Y43-L255 HydrophobicContact CD2-CD2 4.21Å; Y43-R258 PolarHBondContact OH-O 3.23Å; Y43-Q259 PolarHBondContact O-NE2 3.14Å; Y43-P274 HydrophobicContact CD1-CB 4.33Å; Y43-P274 HydrophobicContact CD1-CG 3.73Å; Y43-P274 HydrophobicContact CD2-CB 4.49Å; Y43-P274 HydrophobicContact CD2-CG 4.46Å; Y43-P274 HydrophobicContact CE1-CB 3.78Å; Y43-P274 HydrophobicContact CE1-CG 3.57Å; Y43-P274 HydrophobicContact CE2-CB 3.96Å; Y43-P274 HydrophobicContact CE2-CG 4.34Å; Y43-P274 HydrophobicContact CG-CG 4.18Å; Y43-L277 HydrophobicContact CD2-CD2 3.8Å; Y43-L277 HydrophobicContact CE2-CD2 3.81Å |
| 44 | Y | 93 | Very high | 93.4 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 28% | 0.278 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -72.2 | -29.6 | 179.6 | -73 | -63.2 | 0 | 0 | 0 | 113.4 | T40 V41 V42 N47 I48 Y272 | T40-Y44 HydrophobicContact CG2-CD2 3.88Å; T40-Y44 HydrophobicContact CG2-CE2 3.6Å; T40-Y44 WeakPolarHBondContact O-CD2 3.17Å; T40-Y44 PolarHBondContact O-N 2.94Å; T40-Y44 VanDerWaalsContact O-N 3.12Å; V41-Y44 PolarHBondContact O-N 2.66Å; V42-Y44 VanDerWaalsContact C-N 3.35Å; V42-Y44 PolarHBondContact O-N 3.28Å; Y44-N47 WeakPolarHBondContact O-CB 3.06Å; Y44-N47 PolarHBondContact O-N 3.15Å; Y44-I48 VanDerWaalsContact O-CG1 3.28Å; Y44-I48 WeakPolarHBondContact O-CG1 3.42Å; Y44-I48 PolarHBondContact O-N 3.03Å; Y44-Y272 PolarHBondContact OH-O 3.29Å |
| 45 | L | 95.2 | Very high | 93.5 | Very high | 104 Ų | 104 | 64.1 Ų | 64.1 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 172.5 | -72.5 | 174.7 | 0 | 0 | 0 | 111.7 | V41 V42 N47 I48 L49 | V41-L45 HydrophobicContact CG1-CD1 3.95Å; V41-L45 HydrophobicContact CG1-CG 4.31Å; V41-L45 WeakPolarHBondContact O-CG 3.44Å; V41-L45 PolarHBondContact O-N 3.49Å; V42-L45 PolarHBondContact O-N 3.44Å; L45-N47 VanDerWaalsContact C-N 3.31Å; L45-I48 PolarHBondContact O-N 3.21Å; L45-L49 WeakPolarHBondContact O-CB 3.35Å; L45-L49 PolarHBondContact O-N 3.06Å |
| 46 | I | 93.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 67.5 Ų | 67.5 | 15% | 0.154 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 174.7 | -65 | 166.4 | 0 | 0 | 0 | 110.4 | V42 Y43 L49 Y50 F62 L255 Q259 | V42-I46 HydrophobicContact CG1-CD1 3.91Å; V42-I46 HydrophobicContact CG1-CG1 4.45Å; V42-I46 WeakPolarHBondContact O-CG1 3.11Å; V42-I46 PolarHBondContact O-N 3.05Å; Y43-I46 PolarHBondContact O-N 3.39Å; I46-L49 WeakPolarHBondContact O-CB 3.42Å; I46-L49 PolarHBondContact O-N 2.68Å; I46-Y50 PolarHBondContact O-N 3.44Å; I46-F62 HydrophobicContact CG2-CE2 4.04Å; I46-F62 HydrophobicContact CG2-CZ 3.89Å; I46-L255 HydrophobicContact CD1-CB 3.8Å; I46-Q259 HydrophobicContact CG2-CG 3.76Å |
| 47 | N | 91.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 71.8 Ų | 71.8 | 10% | 0.096 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174.6 | -169.6 | -96.3 | 0 | 0 | 0 | 111.4 | Y43 Y44 L45 L49 Y50 W51 Q259 S260 | Y43-N47 WeakPolarHBondContact O-CB 3.45Å; Y43-N47 PolarHBondContact O-N 3.45Å; Y44-N47 WeakPolarHBondContact O-CB 3.06Å; Y44-N47 PolarHBondContact O-N 3.15Å; L45-N47 VanDerWaalsContact C-N 3.31Å; N47-L49 VanDerWaalsContact C-N 3.33Å; N47-L49 PolarHBondContact O-N 2.9Å; N47-Y50 PolarHBondContact O-N 3.28Å; N47-W51 VanDerWaalsContact O-CD1 3.24Å; N47-W51 PolarHBondContact O-N 3.43Å; N47-Q259 VanDerWaalsContact CA-OE1 3.3Å; N47-Q259 VanDerWaalsContact CB-OE1 3.29Å; N47-Q259 PolarHBondContact ND2-OE1 3.49Å; N47-Q259 VanDerWaalsContact ND2-OE1 3.13Å; N47-S260 PolarHBondContact ND2-OG 3.02Å |
| 48 | I | 91.5 | Very high | 93.6 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 177 | -70 | 165.4 | 0 | 0 | 0 | 111.1 | Y44 L45 Y50 W51 Y52 | Y44-I48 VanDerWaalsContact O-CG1 3.28Å; Y44-I48 WeakPolarHBondContact O-CG1 3.42Å; Y44-I48 PolarHBondContact O-N 3.03Å; L45-I48 PolarHBondContact O-N 3.21Å; I48-Y50 PolarHBondContact O-N 2.99Å; I48-W51 PolarHBondContact O-N 3.21Å; I48-Y52 HydrophobicContact CB-CD2 4.43Å; I48-Y52 HydrophobicContact CG2-CD2 4.12Å; I48-Y52 WeakPolarHBondContact O-CB 3.49Å; I48-Y52 PolarHBondContact O-N 3.21Å |
| 49 | L | 93.6 | Very high | 93.5 | Very high | 69 Ų | 69 | 65 Ų | 65 | 36% | 0.361 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -55.8 | -49.9 | 175.9 | 176.9 | 71.6 | 0 | 0 | 0 | 111.1 | L45 I46 N47 I53 L54 | L45-L49 WeakPolarHBondContact O-CB 3.35Å; L45-L49 PolarHBondContact O-N 3.06Å; I46-L49 WeakPolarHBondContact O-CB 3.42Å; I46-L49 PolarHBondContact O-N 2.68Å; N47-L49 VanDerWaalsContact C-N 3.33Å; N47-L49 PolarHBondContact O-N 2.9Å; L49-I53 HydrophobicContact CD1-CB 3.99Å; L49-I53 HydrophobicContact CD1-CD1 4.07Å; L49-I53 HydrophobicContact CD1-CG2 3.96Å; L49-I53 WeakPolarHBondContact O-CB 2.94Å; L49-I53 PolarHBondContact O-N 3.42Å; L49-I53 VanDerWaalsContact O-N 3.15Å; L49-L54 HydrophobicContact CD1-CD2 4.41Å; L49-L54 HydrophobicContact CG-CD2 4.48Å; L49-L54 HydrophobicContact CG-CG 4.37Å; L49-L54 WeakPolarHBondContact O-CG 3.44Å; L49-L54 PolarHBondContact O-N 2.98Å |
| 50 | Y | 92.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | I | π-helix | trans | -64.2 | -47.1 | -179.6 | 174.9 | -90.9 | 0 | 0 | 0 | 112.7 | I46 N47 I48 L54 K59 F62 E63 T261 Y262 | I46-Y50 PolarHBondContact O-N 3.44Å; N47-Y50 PolarHBondContact O-N 3.28Å; I48-Y50 PolarHBondContact O-N 2.99Å; Y50-L54 HydrophobicContact CD2-CD1 4.34Å; Y50-K59 HydrophobicContact CD2-CG 4.24Å; Y50-K59 HydrophobicContact CE2-CB 3.93Å; Y50-K59 HydrophobicContact CE2-CG 3.84Å; Y50-K59 WeakPolarHBondContact O-CE 3.17Å; Y50-F62 HydrophobicContact CD2-CB 4.33Å; Y50-F62 AromaticContact CD2-CD1 3.43Å; Y50-F62 HydrophobicContact CD2-CD1 3.43Å; Y50-F62 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 AromaticContact CD2-CG 3.9Å; Y50-F62 HydrophobicContact CD2-CG 3.9Å; Y50-F62 AromaticContact CE2-CD1 3.85Å; Y50-F62 HydrophobicContact CE2-CD1 3.85Å; Y50-F62 HydrophobicContact CE2-CG 4.47Å; Y50-F62 HydrophobicContact CG-CD1 4.38Å; Y50-F62 HydrophobicContact CG-CE1 4.42Å; Y50-E63 HydrophobicContact CE2-CG 4.19Å; Y50-E63 PolarHBondContact OH-OE1 2.88Å; Y50-T261 HydrophobicContact CD2-CG2 4.19Å; Y50-T261 HydrophobicContact CE1-CG2 4.1Å; Y50-T261 HydrophobicContact CE2-CG2 3.68Å; Y50-T261 VanDerWaalsContact OH-CA 3.3Å; Y50-T261 WeakPolarHBondContact OH-CA 3.31Å; Y50-T261 VanDerWaalsContact OH-CB 3.31Å; Y50-T261 WeakPolarHBondContact OH-CB 3.38Å; Y50-Y262 HydrophobicContact CE1-CD2 4.18Å; Y50-Y262 WeakPolarHBondContact OH-CD2 3.05Å; Y50-Y262 PolarHBondContact OH-N 3.38Å |
| 51 | W | 90.4 | Very high | 93.5 | Very high | 68 Ų | 68 | 71.2 Ų | 71.2 | 26% | 0.258 | 35% | 0.348 | S | S | . | . | I | π-helix | trans | -79 | -33.8 | -172.3 | -76.4 | 105 | 0 | 0 | 0 | 114.2 | N47 I48 S260 Y262 | N47-W51 VanDerWaalsContact O-CD1 3.24Å; N47-W51 PolarHBondContact O-N 3.43Å; I48-W51 PolarHBondContact O-N 3.21Å; W51-S260 PolarHBondContact NE1-O 3.32Å; W51-S260 PolarHBondContact NE1-OG 3.37Å; W51-S260 VanDerWaalsContact NE1-OG 3.1Å; W51-Y262 AromaticContact CE3-CE2 3.82Å; W51-Y262 HydrophobicContact CE3-CE2 3.82Å; W51-Y262 HydrophobicContact CH2-CD2 4.33Å; W51-Y262 HydrophobicContact CH2-CE2 4.28Å; W51-Y262 HydrophobicContact CH2-CG 4.45Å; W51-Y262 HydrophobicContact CZ3-CD1 4.29Å; W51-Y262 AromaticContact CZ3-CD2 3.95Å; W51-Y262 HydrophobicContact CZ3-CD2 3.95Å; W51-Y262 AromaticContact CZ3-CE1 3.88Å; W51-Y262 HydrophobicContact CZ3-CE1 3.88Å; W51-Y262 AromaticContact CZ3-CE2 3.46Å; W51-Y262 HydrophobicContact CZ3-CE2 3.46Å; W51-Y262 VanDerWaalsContact CZ3-CE2 3.46Å; W51-Y262 HydrophobicContact CZ3-CG 4.34Å; W51-Y262 AromaticContact CZ3-CZ 3.45Å; W51-Y262 VanDerWaalsContact CZ3-CZ 3.45Å |
| 52 | Y | 92.4 | Very high | 93.5 | Very high | 190 Ų | 190 | 69 Ų | 69 | 75% | 0.745 | 33% | 0.332 | S | S | * | . | I | π-helix | trans | -118.3 | -14 | -169.1 | -60.8 | -77.3 | 0 | 0 | 0 | 115.2 | I48 | I48-Y52 HydrophobicContact CB-CD2 4.43Å; I48-Y52 HydrophobicContact CG2-CD2 4.12Å; I48-Y52 WeakPolarHBondContact O-CB 3.49Å; I48-Y52 PolarHBondContact O-N 3.21Å |
| 53 | I | 95.2 | Very high | 93.3 | Very high | 117 Ų | 117 | 67.5 Ų | 67.5 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | I | π-helix | trans | -116.1 | -43.2 | -172.7 | -54.6 | -178.7 | 0 | 0 | 0 | 111.8 | L49 | L49-I53 HydrophobicContact CD1-CB 3.99Å; L49-I53 HydrophobicContact CD1-CD1 4.07Å; L49-I53 HydrophobicContact CD1-CG2 3.96Å; L49-I53 WeakPolarHBondContact O-CB 2.94Å; L49-I53 PolarHBondContact O-N 3.42Å; L49-I53 VanDerWaalsContact O-N 3.15Å |
| 54 | L | 94.7 | Very high | 93.3 | Very high | 38 Ų | 38 | 73.7 Ų | 73.7 | 20% | 0.199 | 35% | 0.35 | C | S | . | . | trans | -69.8 | 137.7 | -179.5 | -63.4 | -175.5 | 0 | 0 | 0 | 111.6 | L49 Y50 N58 K59 F62 | L49-L54 HydrophobicContact CD1-CD2 4.41Å; L49-L54 HydrophobicContact CG-CD2 4.48Å; L49-L54 HydrophobicContact CG-CG 4.37Å; L49-L54 WeakPolarHBondContact O-CG 3.44Å; L49-L54 PolarHBondContact O-N 2.98Å; Y50-L54 HydrophobicContact CD2-CD1 4.34Å; L54-N58 HydrophobicContact CB-CB 4.38Å; L54-N58 HydrophobicContact CD2-CB 4.05Å; L54-K59 HydrophobicContact CB-CG 3.86Å; L54-K59 VanDerWaalsContact O-CE 3.24Å; L54-K59 WeakPolarHBondContact O-CE 3.31Å; L54-F62 HydrophobicContact CD1-CB 4.08Å; L54-F62 HydrophobicContact CD1-CD2 4.24Å; L54-F62 HydrophobicContact CD1-CG 4.31Å | ||
| 55 | D | 94.4 | Very high | 93.3 | Very high | 86 Ų | 86 | 73.2 Ų | 73.2 | 46% | 0.46 | 36% | 0.355 | S | S | . | . | trans | -78.2 | 172 | 167.2 | 63.3 | -0.7 | 0 | 0 | 0 | 111.2 | E57 N58 K59 | D55-E57 VanDerWaalsContact C-N 3.31Å; D55-E57 PolarHBondContact O-N 3.42Å; D55-N58 PolarHBondContact O-N 3.19Å; D55-N58 WeakPolarHBondContact OD1-CB 3.33Å; D55-N58 VanDerWaalsContact OD1-CG 3.23Å; D55-N58 PolarHBondContact OD1-N 3.28Å; D55-N58 PolarHBondContact OD1-ND2 3.25Å; D55-K59 WeakPolarHBondContact O-CG 3.44Å; D55-K59 PolarHBondContact O-N 2.79Å | ||
| 56 | E | 91.3 | Very high | 93.2 | Very high | 120 Ų | 120 | 68.4 Ų | 68.4 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.5 | -37.9 | -174.6 | -65.2 | -54 | 130.8 | 0 | 0 | 113 | K59 V60 | E56-K59 PolarHBondContact O-N 2.91Å; E56-K59 IonicContact OE1-NZ 3.02Å; E56-K59 PolarHBondContact OE1-NZ 3.01Å; E56-V60 WeakPolarHBondContact O-CG2 3.32Å; E56-V60 PolarHBondContact O-N 3.44Å |
| 57 | E | 94 | Very high | 92.9 | Very high | 122 Ų | 122 | 71.6 Ų | 71.6 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.6 | -44.7 | 177.5 | -166.8 | -169.2 | 146.6 | 0 | 0 | 111.7 | D55 V60 K61 | D55-E57 VanDerWaalsContact C-N 3.31Å; D55-E57 PolarHBondContact O-N 3.42Å; E57-V60 PolarHBondContact O-N 3.12Å; E57-K61 PolarHBondContact O-N 3.37Å; E57-K61 WeakPolarHBondContact OE1-CE 3.39Å; E57-K61 IonicContact OE1-NZ 3.64Å; E57-K61 PolarHBondContact OE1-NZ 3.47Å |
| 58 | N | 95.3 | Very high | 93 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 35% | 0.353 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -76 | -27.5 | -179.6 | -67.4 | -53.1 | 0 | 0 | 0 | 113 | L54 D55 K61 F62 | L54-N58 HydrophobicContact CB-CB 4.38Å; L54-N58 HydrophobicContact CD2-CB 4.05Å; D55-N58 PolarHBondContact O-N 3.19Å; D55-N58 WeakPolarHBondContact OD1-CB 3.33Å; D55-N58 VanDerWaalsContact OD1-CG 3.23Å; D55-N58 PolarHBondContact OD1-N 3.28Å; D55-N58 PolarHBondContact OD1-ND2 3.25Å; N58-K61 PolarHBondContact O-N 3.37Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 2.92Å |
| 59 | K | 93.8 | Very high | 93.1 | Very high | 13 Ų | 13 | 75.9 Ų | 75.9 | 6% | 0.057 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 169.7 | -76.1 | 175.8 | -175 | 166.4 | 0 | 111.6 | Y50 L54 D55 E56 K61 F62 E63 Y262 | Y50-K59 HydrophobicContact CD2-CG 4.24Å; Y50-K59 HydrophobicContact CE2-CB 3.93Å; Y50-K59 HydrophobicContact CE2-CG 3.84Å; Y50-K59 WeakPolarHBondContact O-CE 3.17Å; L54-K59 HydrophobicContact CB-CG 3.86Å; L54-K59 VanDerWaalsContact O-CE 3.24Å; L54-K59 WeakPolarHBondContact O-CE 3.31Å; D55-K59 WeakPolarHBondContact O-CG 3.44Å; D55-K59 PolarHBondContact O-N 2.79Å; E56-K59 PolarHBondContact O-N 2.91Å; E56-K59 IonicContact OE1-NZ 3.02Å; E56-K59 PolarHBondContact OE1-NZ 3.01Å; K59-K61 VanDerWaalsContact C-N 3.34Å; K59-K61 PolarHBondContact O-N 3.13Å; K59-F62 WeakPolarHBondContact O-CB 3.35Å; K59-F62 PolarHBondContact O-N 3.44Å; K59-E63 WeakPolarHBondContact O-CG 3.5Å; K59-E63 PolarHBondContact O-N 2.84Å; K59-Y262 HydrophobicContact CD-CD2 4.12Å; K59-Y262 HydrophobicContact CD-CE2 4.14Å |
| 60 | V | 92.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 74 Ų | 74 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | E56 E57 E63 H64 | E56-V60 WeakPolarHBondContact O-CG2 3.32Å; E56-V60 PolarHBondContact O-N 3.44Å; E57-V60 PolarHBondContact O-N 3.12Å; V60-E63 PolarHBondContact O-N 3.03Å; V60-H64 PolarHBondContact O-N 3.42Å; V60-H64 VanDerWaalsContact O-N 3.15Å; V60-H64 PolarHBondContact O-ND1 2.97Å |
| 61 | K | 94.4 | Very high | 92.4 | Very high | 104 Ų | 104 | 80 Ų | 80 | 45% | 0.452 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 174.9 | -68.3 | 173.9 | -170.8 | 161.6 | 0 | 111.7 | E57 N58 K59 E63 H64 V65 | E57-K61 PolarHBondContact O-N 3.37Å; E57-K61 WeakPolarHBondContact OE1-CE 3.39Å; E57-K61 IonicContact OE1-NZ 3.64Å; E57-K61 PolarHBondContact OE1-NZ 3.47Å; N58-K61 PolarHBondContact O-N 3.37Å; K59-K61 VanDerWaalsContact C-N 3.34Å; K59-K61 PolarHBondContact O-N 3.13Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 PolarHBondContact O-N 2.83Å; K61-H64 PolarHBondContact O-N 3.1Å; K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 3.16Å |
| 62 | F | 94.6 | Very high | 92.3 | Very high | 30 Ų | 30 | 80.3 Ų | 80.3 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 177.2 | -178.5 | -84.1 | 0 | 0 | 0 | 111.7 | I46 Y50 L54 N58 K59 H64 V65 A66 I256 Q259 T261 | I46-F62 HydrophobicContact CG2-CE2 4.04Å; I46-F62 HydrophobicContact CG2-CZ 3.89Å; Y50-F62 HydrophobicContact CD2-CB 4.33Å; Y50-F62 AromaticContact CD2-CD1 3.43Å; Y50-F62 HydrophobicContact CD2-CD1 3.43Å; Y50-F62 VanDerWaalsContact CD2-CD1 3.43Å; Y50-F62 AromaticContact CD2-CE1 3.87Å; Y50-F62 HydrophobicContact CD2-CE1 3.87Å; Y50-F62 AromaticContact CD2-CG 3.9Å; Y50-F62 HydrophobicContact CD2-CG 3.9Å; Y50-F62 AromaticContact CE2-CD1 3.85Å; Y50-F62 HydrophobicContact CE2-CD1 3.85Å; Y50-F62 HydrophobicContact CE2-CG 4.47Å; Y50-F62 HydrophobicContact CG-CD1 4.38Å; Y50-F62 HydrophobicContact CG-CE1 4.42Å; L54-F62 HydrophobicContact CD1-CB 4.08Å; L54-F62 HydrophobicContact CD1-CD2 4.24Å; L54-F62 HydrophobicContact CD1-CG 4.31Å; N58-F62 WeakPolarHBondContact O-CB 3.49Å; N58-F62 PolarHBondContact O-N 2.92Å; K59-F62 WeakPolarHBondContact O-CB 3.35Å; K59-F62 PolarHBondContact O-N 3.44Å; F62-H64 PolarHBondContact O-N 3.46Å; F62-V65 PolarHBondContact O-N 3.4Å; F62-A66 HydrophobicContact CE1-CB 4.32Å; F62-A66 WeakPolarHBondContact O-CB 3.44Å; F62-A66 PolarHBondContact O-N 2.75Å; F62-I256 HydrophobicContact CE1-CG2 4.3Å; F62-I256 HydrophobicContact CE2-CG1 4.5Å; F62-I256 HydrophobicContact CE2-CG2 3.92Å; F62-I256 HydrophobicContact CZ-CB 4.42Å; F62-I256 HydrophobicContact CZ-CG2 3.73Å; F62-Q259 HydrophobicContact CE1-CB 3.99Å; F62-Q259 HydrophobicContact CE1-CG 4.24Å; F62-Q259 HydrophobicContact CZ-CB 4.18Å; F62-Q259 HydrophobicContact CZ-CG 3.89Å; F62-T261 HydrophobicContact CD1-CG2 4.17Å; F62-T261 HydrophobicContact CE1-CG2 4.09Å |
| 63 | E | 92.3 | Very high | 92 | Very high | 18 Ų | 18 | 72.1 Ų | 72.1 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 179.4 | -75.1 | 175.1 | -174.4 | 0 | 0 | 113.2 | Y50 K59 V60 K61 V65 A66 T67 T261 Y262 S263 | Y50-E63 HydrophobicContact CE2-CG 4.19Å; Y50-E63 PolarHBondContact OH-OE1 2.88Å; K59-E63 WeakPolarHBondContact O-CG 3.5Å; K59-E63 PolarHBondContact O-N 2.84Å; V60-E63 PolarHBondContact O-N 3.03Å; K61-E63 VanDerWaalsContact C-N 3.34Å; K61-E63 PolarHBondContact O-N 2.83Å; E63-V65 VanDerWaalsContact C-N 3.34Å; E63-A66 PolarHBondContact O-N 2.85Å; E63-T67 WeakPolarHBondContact O-CB 3.26Å; E63-T67 PolarHBondContact O-N 3.01Å; E63-T67 PolarHBondContact O-OG1 2.84Å; E63-T261 HydrophobicContact CG-CG2 3.85Å; E63-Y262 PolarHBondContact OE1-N 3.18Å; E63-S263 PolarHBondContact OE1-N 3.47Å; E63-S263 WeakPolarHBondContact OE2-CB 3.45Å; E63-S263 PolarHBondContact OE2-OG 2.97Å |
| 64 | H | 93.6 | Very high | 91.3 | Very high | 131 Ų | 131 | 72.4 Ų | 72.4 | 61% | 0.606 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 172.7 | -69.9 | 144.1 | 0 | 0 | 0 | 111.7 | V60 K61 F62 T67 Y68 | V60-H64 PolarHBondContact O-N 3.42Å; V60-H64 VanDerWaalsContact O-N 3.15Å; V60-H64 PolarHBondContact O-ND1 2.97Å; K61-H64 PolarHBondContact O-N 3.1Å; F62-H64 PolarHBondContact O-N 3.46Å; H64-T67 PolarHBondContact O-N 3.32Å; H64-Y68 WeakPolarHBondContact O-CB 3.39Å; H64-Y68 PolarHBondContact O-N 3.2Å |
| 65 | V | 94.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 75.7 Ų | 75.7 | 37% | 0.37 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | 177.2 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | K61 F62 E63 T67 Y68 F69 I256 | K61-V65 WeakPolarHBondContact O-CG2 3.38Å; K61-V65 PolarHBondContact O-N 3.16Å; F62-V65 PolarHBondContact O-N 3.4Å; E63-V65 VanDerWaalsContact C-N 3.34Å; V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 PolarHBondContact O-N 3.35Å; V65-Y68 PolarHBondContact O-N 3.18Å; V65-F69 HydrophobicContact CG1-CD2 3.79Å; V65-F69 HydrophobicContact CG1-CE2 3.42Å; V65-F69 VanDerWaalsContact CG1-CE2 3.42Å; V65-F69 HydrophobicContact CG1-CZ 3.88Å; V65-F69 PolarHBondContact O-N 2.94Å; V65-I256 HydrophobicContact CG1-CG2 4.24Å |
| 66 | A | 91.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 74.6 Ų | 74.6 | 3% | 0.033 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.4 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F62 E63 F69 S70 I256 A257 | F62-A66 HydrophobicContact CE1-CB 4.32Å; F62-A66 WeakPolarHBondContact O-CB 3.44Å; F62-A66 PolarHBondContact O-N 2.75Å; E63-A66 PolarHBondContact O-N 2.85Å; A66-F69 PolarHBondContact O-N 2.97Å; A66-S70 WeakPolarHBondContact O-CB 3.23Å; A66-S70 PolarHBondContact O-N 2.83Å; A66-I256 HydrophobicContact CB-CG2 4.03Å; A66-I256 WeakPolarHBondContact CB-O 3.38Å; A66-A257 WeakPolarHBondContact O-CA 3.47Å |
| 67 | T | 89 | Confident | 90.2 | Very high | 97 Ų | 97 | 72.2 Ų | 72.2 | 60% | 0.595 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.3 | -45 | 176.7 | -57.4 | 0 | 0 | 0 | 0 | 111.3 | E63 H64 V65 F69 S70 F71 | E63-T67 WeakPolarHBondContact O-CB 3.26Å; E63-T67 PolarHBondContact O-N 3.01Å; E63-T67 PolarHBondContact O-OG1 2.84Å; H64-T67 PolarHBondContact O-N 3.32Å; V65-T67 VanDerWaalsContact C-N 3.34Å; V65-T67 PolarHBondContact O-N 3.35Å; T67-F69 PolarHBondContact O-N 2.98Å; T67-S70 WeakPolarHBondContact O-CB 3.46Å; T67-S70 PolarHBondContact O-N 3.35Å; T67-F71 PolarHBondContact O-N 3.4Å; T67-F71 VanDerWaalsContact O-N 3.09Å |
| 68 | Y | 92.5 | Very high | 89.9 | Confident | 134 Ų | 134 | 66.5 Ų | 66.5 | 53% | 0.525 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 176.3 | 175.5 | -100.2 | 0 | 0 | 0 | 112.1 | H64 V65 S70 F71 K72 | H64-Y68 WeakPolarHBondContact O-CB 3.39Å; H64-Y68 PolarHBondContact O-N 3.2Å; V65-Y68 PolarHBondContact O-N 3.18Å; Y68-S70 PolarHBondContact O-N 3.43Å; Y68-F71 PolarHBondContact O-N 3.3Å; Y68-K72 HydrophobicContact CD2-CG 4.44Å; Y68-K72 HydrophobicContact CE1-CG 4.05Å; Y68-K72 HydrophobicContact CE2-CG 3.94Å; Y68-K72 PolarHBondContact O-N 3.37Å |
| 69 | F | 93 | Very high | 89.4 | Confident | 54 Ų | 54 | 64 Ų | 64 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 176.7 | -71.9 | -22.4 | 0 | 0 | 0 | 112.8 | V65 A66 T67 F71 K72 N73 T253 I256 A257 | V65-F69 HydrophobicContact CG1-CD2 3.79Å; V65-F69 HydrophobicContact CG1-CE2 3.42Å; V65-F69 VanDerWaalsContact CG1-CE2 3.42Å; V65-F69 HydrophobicContact CG1-CZ 3.88Å; V65-F69 PolarHBondContact O-N 2.94Å; A66-F69 PolarHBondContact O-N 2.97Å; T67-F69 PolarHBondContact O-N 2.98Å; F69-F71 VanDerWaalsContact C-N 3.26Å; F69-F71 PolarHBondContact O-N 2.95Å; F69-K72 PolarHBondContact O-N 2.97Å; F69-N73 VanDerWaalsContact O-CB 3.31Å; F69-N73 WeakPolarHBondContact O-CB 3.43Å; F69-N73 PolarHBondContact O-N 2.77Å; F69-N73 PolarHBondContact O-ND2 2.72Å; F69-T253 HydrophobicContact CD1-CG2 4.1Å; F69-T253 HydrophobicContact CD2-CG2 4.38Å; F69-T253 HydrophobicContact CE1-CG2 4.25Å; F69-T253 HydrophobicContact CG-CG2 4.18Å; F69-T253 HydrophobicContact CZ-CG2 4.46Å; F69-I256 HydrophobicContact CD2-CB 4.1Å; F69-I256 HydrophobicContact CD2-CD1 4.38Å; F69-I256 HydrophobicContact CD2-CG2 4.11Å; F69-I256 HydrophobicContact CE2-CB 4.47Å; F69-I256 HydrophobicContact CE2-CD1 3.9Å; F69-I256 HydrophobicContact CE2-CG2 4.47Å; F69-A257 HydrophobicContact CB-CB 3.81Å |
| 70 | S | 85.4 | Confident | 89.1 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | A66 T67 Y68 | A66-S70 WeakPolarHBondContact O-CB 3.23Å; A66-S70 PolarHBondContact O-N 2.83Å; T67-S70 WeakPolarHBondContact O-CB 3.46Å; T67-S70 PolarHBondContact O-N 3.35Å; Y68-S70 PolarHBondContact O-N 3.43Å |
| 71 | F | 86.2 | Confident | 88.9 | Confident | 126 Ų | 126 | 66.9 Ų | 66.9 | 55% | 0.553 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -70.9 | -49.6 | 176.6 | -177.2 | -99.7 | 0 | 0 | 0 | 111.7 | T67 Y68 F69 N73 L74 E75 | T67-F71 PolarHBondContact O-N 3.4Å; T67-F71 VanDerWaalsContact O-N 3.09Å; Y68-F71 PolarHBondContact O-N 3.3Å; F69-F71 VanDerWaalsContact C-N 3.26Å; F69-F71 PolarHBondContact O-N 2.95Å; F71-N73 VanDerWaalsContact C-N 3.33Å; F71-N73 PolarHBondContact O-N 3.46Å; F71-L74 WeakPolarHBondContact O-CB 3.4Å; F71-L74 PolarHBondContact O-N 3.44Å; F71-L74 VanDerWaalsContact O-N 3.14Å; F71-E75 WeakPolarHBondContact CE1-OE1 3.33Å |
| 72 | K | 88 | Confident | 88.6 | Confident | 75 Ų | 75 | 61.9 Ų | 61.9 | 33% | 0.326 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.7 | -29.8 | -176.7 | -72.4 | -60.3 | -179 | -167.1 | 0 | 114.7 | Y68 F69 L74 E75 | Y68-K72 HydrophobicContact CD2-CG 4.44Å; Y68-K72 HydrophobicContact CE1-CG 4.05Å; Y68-K72 HydrophobicContact CE2-CG 3.94Å; Y68-K72 PolarHBondContact O-N 3.37Å; F69-K72 PolarHBondContact O-N 2.97Å; K72-L74 PolarHBondContact O-N 2.66Å; K72-E75 WeakPolarHBondContact CD-OE2 3.48Å; K72-E75 IonicContact NZ-OE1 2.78Å; K72-E75 PolarHBondContact NZ-OE1 2.93Å; K72-E75 IonicContact NZ-OE2 2.85Å; K72-E75 PolarHBondContact NZ-OE2 3.09Å; K72-E75 PolarHBondContact O-N 2.84Å; K72-E75 VanDerWaalsContact O-N 3.16Å |
| 73 | N | 87.4 | Confident | 88.3 | Confident | 18 Ų | 18 | 60.5 Ų | 60.5 | 10% | 0.096 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.6 | -24.5 | 175 | -76.9 | -15.4 | 0 | 0 | 0 | 113.3 | F69 F71 E75 F250 T253 N254 | F69-N73 VanDerWaalsContact O-CB 3.31Å; F69-N73 WeakPolarHBondContact O-CB 3.43Å; F69-N73 PolarHBondContact O-N 2.77Å; F69-N73 PolarHBondContact O-ND2 2.72Å; F71-N73 VanDerWaalsContact C-N 3.33Å; F71-N73 PolarHBondContact O-N 3.46Å; N73-E75 VanDerWaalsContact C-N 3.32Å; N73-F250 HydrophobicContact CB-CD2 4.21Å; N73-F250 HydrophobicContact CB-CE2 4.03Å; N73-T253 PolarHBondContact ND2-OG1 2.95Å; N73-T253 PolarHBondContact OD1-OG1 3.48Å; N73-N254 VanDerWaalsContact ND2-CG 3.3Å; N73-N254 PolarHBondContact ND2-ND2 3.34Å |
| 74 | L | 79.8 | Confident | 88.2 | Confident | 123 Ų | 123 | 65.2 Ų | 65.2 | 64% | 0.644 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -73.9 | -24.2 | 176.3 | -62.1 | 170.9 | 0 | 0 | 0 | 112.5 | F71 K72 L448 | F71-L74 WeakPolarHBondContact O-CB 3.4Å; F71-L74 PolarHBondContact O-N 3.44Å; F71-L74 VanDerWaalsContact O-N 3.14Å; K72-L74 PolarHBondContact O-N 2.66Å; L74-L448 HydrophobicContact CD2-CD2 4.17Å |
| 75 | E | 85 | Confident | 88.2 | Confident | 108 Ų | 108 | 59.1 Ų | 59.1 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -79.1 | -19 | 179.5 | -63.9 | 177.2 | -173.2 | 0 | 0 | 112.6 | F71 K72 N73 P77 | F71-E75 WeakPolarHBondContact CE1-OE1 3.33Å; K72-E75 WeakPolarHBondContact CD-OE2 3.48Å; K72-E75 IonicContact NZ-OE1 2.78Å; K72-E75 PolarHBondContact NZ-OE1 2.93Å; K72-E75 IonicContact NZ-OE2 2.85Å; K72-E75 PolarHBondContact NZ-OE2 3.09Å; K72-E75 PolarHBondContact O-N 2.84Å; K72-E75 VanDerWaalsContact O-N 3.16Å; N73-E75 VanDerWaalsContact C-N 3.32Å; E75-P77 VanDerWaalsContact O-CD 3.3Å; E75-P77 WeakPolarHBondContact O-CD 3.43Å |
| 76 | L | 84.7 | Confident | 88 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | trans | -77.6 | 116.6 | -176.3 | -174.8 | 69.5 | 0 | 0 | 0 | 110.8 | L78 F250 | L76-L78 HydrophobicContact CD2-CB 4.3Å; L76-L78 HydrophobicContact CG-CB 4.34Å; L76-L78 PolarHBondContact O-N 2.93Å; L76-F250 HydrophobicContact CD2-CB 3.92Å; L76-F250 HydrophobicContact CD2-CD2 4.09Å; L76-F250 HydrophobicContact CD2-CG 4.44Å | ||
| 77 | P | 86.5 | Confident | 87.9 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 46% | 0.455 | 28% | 0.281 | S | S | . | . | trans | -80.5 | 50.7 | -178.2 | 35.2 | -37.1 | 0 | 0 | 0 | 111.8 | E75 T79 F80 I81 | E75-P77 VanDerWaalsContact O-CD 3.3Å; E75-P77 WeakPolarHBondContact O-CD 3.43Å; P77-T79 PolarHBondContact O-N 3.33Å; P77-F80 HydrophobicContact CB-CB 4.49Å; P77-F80 HydrophobicContact CB-CD2 4.21Å; P77-F80 PolarHBondContact O-N 3.41Å; P77-I81 HydrophobicContact CG-CD1 4.16Å; P77-I81 PolarHBondContact O-N 2.88Å | ||
| 78 | L | 88.2 | Confident | 88.1 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -54.9 | -41.7 | -171.6 | -176 | 60.2 | 0 | 0 | 0 | 111.8 | L76 F80 I81 M82 A246 F250 Y284 | L76-L78 HydrophobicContact CD2-CB 4.3Å; L76-L78 HydrophobicContact CG-CB 4.34Å; L76-L78 PolarHBondContact O-N 2.93Å; L78-F80 PolarHBondContact O-N 3.28Å; L78-I81 PolarHBondContact O-N 2.91Å; L78-M82 HydrophobicContact CD1-CG 3.95Å; L78-M82 HydrophobicContact CD1-SD 4.49Å; L78-M82 HydrophobicContact CG-CG 4.06Å; L78-M82 VanDerWaalsContact O-CB 3.28Å; L78-M82 WeakPolarHBondContact O-CB 3.5Å; L78-M82 WeakPolarHBondContact O-CG 3.27Å; L78-M82 PolarHBondContact O-N 3.34Å; L78-A246 HydrophobicContact CD1-CB 3.97Å; L78-F250 HydrophobicContact CD2-CB 4Å; L78-F250 HydrophobicContact CD2-CD1 3.8Å; L78-F250 HydrophobicContact CD2-CD2 4.3Å; L78-F250 HydrophobicContact CD2-CE1 4.34Å; L78-F250 HydrophobicContact CD2-CG 3.77Å; L78-Y284 HydrophobicContact CB-CE1 4.23Å; L78-Y284 HydrophobicContact CD2-CD1 3.61Å; L78-Y284 HydrophobicContact CD2-CD2 4.26Å; L78-Y284 HydrophobicContact CD2-CE1 3.92Å; L78-Y284 HydrophobicContact CD2-CG 3.79Å; L78-Y284 HydrophobicContact CG-CD1 3.84Å; L78-Y284 HydrophobicContact CG-CE1 3.94Å |
| 79 | T | 85.7 | Confident | 88.1 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 9% | 0.086 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -56.9 | -45.5 | 177.7 | -47.4 | 0 | 0 | 0 | 0 | 113.3 | P77 G83 Y284 W287 P450 F453 | P77-T79 PolarHBondContact O-N 3.33Å; T79-G83 PolarHBondContact O-N 2.92Å; T79-Y284 PolarHBondContact OG1-OH 3Å; T79-Y284 VanDerWaalsContact OG1-OH 3.1Å; T79-W287 HydrophobicContact CG2-CZ3 4.13Å; T79-P450 HydrophobicContact CG2-CB 3.43Å; T79-P450 VanDerWaalsContact CG2-CB 3.43Å; T79-P450 HydrophobicContact CG2-CG 3.47Å; T79-P450 VanDerWaalsContact CG2-CG 3.47Å; T79-P450 WeakPolarHBondContact OG1-CB 3.28Å; T79-P450 WeakPolarHBondContact OG1-CG 3.22Å; T79-F453 HydrophobicContact CG2-CB 3.49Å; T79-F453 VanDerWaalsContact CG2-CB 3.49Å; T79-F453 HydrophobicContact CG2-CD2 3.69Å; T79-F453 HydrophobicContact CG2-CG 3.72Å |
| 80 | F | 86.7 | Confident | 88 | Confident | 100 Ų | 100 | 48.9 Ų | 48.9 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -66.5 | -47.1 | -179.3 | -76.9 | -86 | 0 | 0 | 0 | 110 | P77 L78 M82 G83 F84 F453 | P77-F80 HydrophobicContact CB-CB 4.49Å; P77-F80 HydrophobicContact CB-CD2 4.21Å; P77-F80 PolarHBondContact O-N 3.41Å; L78-F80 PolarHBondContact O-N 3.28Å; F80-M82 VanDerWaalsContact C-N 3.33Å; F80-M82 PolarHBondContact O-N 3.49Å; F80-G83 PolarHBondContact O-N 2.68Å; F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.47Å; F80-F84 PolarHBondContact O-N 3.28Å; F80-F453 HydrophobicContact CD1-CD1 4.41Å; F80-F453 AromaticContact CD1-CE1 3.97Å; F80-F453 HydrophobicContact CD1-CE1 3.97Å; F80-F453 HydrophobicContact CE1-CD1 4.1Å; F80-F453 AromaticContact CE1-CE1 3.24Å; F80-F453 HydrophobicContact CE1-CE1 3.24Å; F80-F453 AromaticContact CE1-CZ 3.65Å; F80-F453 HydrophobicContact CE1-CZ 3.65Å; F80-F453 HydrophobicContact CE2-CE1 4.07Å; F80-F453 HydrophobicContact CE2-CE2 4.19Å; F80-F453 AromaticContact CE2-CZ 3.65Å; F80-F453 HydrophobicContact CE2-CZ 3.65Å; F80-F453 HydrophobicContact CZ-CD1 4.38Å; F80-F453 AromaticContact CZ-CE1 3.32Å; F80-F453 HydrophobicContact CZ-CE1 3.32Å; F80-F453 HydrophobicContact CZ-CE2 4.12Å; F80-F453 AromaticContact CZ-CZ 3.15Å; F80-F453 HydrophobicContact CZ-CZ 3.15Å |
| 81 | I | 88.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 22% | 0.221 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.2 | -49.6 | 177.7 | -65.1 | 168.9 | 0 | 0 | 0 | 110.3 | P77 L78 F85 V243 | P77-I81 HydrophobicContact CG-CD1 4.16Å; P77-I81 PolarHBondContact O-N 2.88Å; L78-I81 PolarHBondContact O-N 2.91Å; I81-F85 WeakPolarHBondContact O-CB 3.33Å; I81-F85 PolarHBondContact O-N 2.95Å; I81-F85 VanDerWaalsContact O-N 3.09Å; I81-V243 HydrophobicContact CG2-CB 4.29Å; I81-V243 HydrophobicContact CG2-CG1 4.32Å; I81-V243 HydrophobicContact CG2-CG2 3.69Å |
| 82 | M | 88.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 178.6 | -72.3 | -58 | -63.8 | 0 | 0 | 112.4 | L78 F80 F85 V86 V243 T247 W287 L288 | L78-M82 HydrophobicContact CD1-CG 3.95Å; L78-M82 HydrophobicContact CD1-SD 4.49Å; L78-M82 HydrophobicContact CG-CG 4.06Å; L78-M82 VanDerWaalsContact O-CB 3.28Å; L78-M82 WeakPolarHBondContact O-CB 3.5Å; L78-M82 WeakPolarHBondContact O-CG 3.27Å; L78-M82 PolarHBondContact O-N 3.34Å; F80-M82 VanDerWaalsContact C-N 3.33Å; F80-M82 PolarHBondContact O-N 3.49Å; M82-F85 PolarHBondContact O-N 2.86Å; M82-V86 HydrophobicContact CE-CG2 4.46Å; M82-V86 WeakPolarHBondContact O-CB 3.2Å; M82-V86 VanDerWaalsContact O-CG2 3.23Å; M82-V86 WeakPolarHBondContact O-CG2 3.3Å; M82-V86 PolarHBondContact O-N 3.47Å; M82-V243 HydrophobicContact CE-CG1 4.46Å; M82-V243 HydrophobicContact SD-CG1 3.28Å; M82-V243 WeakPolarHBondContact SD-CG1 3.48Å; M82-T247 PolarHBondContact SD-OG1 3.45Å; M82-T247 VanDerWaalsContact SD-OG1 3.36Å; M82-W287 HydrophobicContact CB-CD2 4.25Å; M82-W287 HydrophobicContact CB-CE3 3.6Å; M82-W287 HydrophobicContact CB-CH2 4.48Å; M82-W287 HydrophobicContact CB-CZ3 3.73Å; M82-W287 HydrophobicContact CE-CB 3.98Å; M82-W287 HydrophobicContact CE-CG 4.44Å; M82-W287 HydrophobicContact CG-CE3 4.49Å; M82-L288 HydrophobicContact CE-CB 3.6Å; M82-L288 HydrophobicContact CE-CD1 4.18Å; M82-L288 HydrophobicContact SD-CD1 4.42Å |
| 83 | G | 87.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | T79 F80 N87 | T79-G83 PolarHBondContact O-N 2.92Å; F80-G83 PolarHBondContact O-N 2.68Å; G83-N87 WeakPolarHBondContact O-CB 3.39Å; G83-N87 PolarHBondContact O-N 3.44Å |
| 84 | F | 90.6 | Very high | 88.8 | Confident | 117 Ų | 117 | 42.1 Ų | 42.1 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 175 | -81.7 | -71.1 | 0 | 0 | 0 | 112.1 | F80 Q88 | F80-F84 VanDerWaalsContact O-CD2 3.23Å; F80-F84 WeakPolarHBondContact O-CD2 3.47Å; F80-F84 PolarHBondContact O-N 3.28Å; F84-Q88 VanDerWaalsContact O-CG 3.26Å; F84-Q88 WeakPolarHBondContact O-CG 3.49Å; F84-Q88 PolarHBondContact O-N 2.85Å; F84-Q88 VanDerWaalsContact O-N 3.12Å |
| 85 | F | 93.5 | Very high | 89.4 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.8 | -54.1 | -179.4 | -180 | -115.6 | 0 | 0 | 0 | 112 | I81 M82 N87 Q88 V89 L235 Y239 T240 V243 L288 A291 I295 | I81-F85 WeakPolarHBondContact O-CB 3.33Å; I81-F85 PolarHBondContact O-N 2.95Å; I81-F85 VanDerWaalsContact O-N 3.09Å; M82-F85 PolarHBondContact O-N 2.86Å; F85-N87 VanDerWaalsContact C-N 3.29Å; F85-N87 PolarHBondContact O-N 2.9Å; F85-Q88 PolarHBondContact O-N 3.42Å; F85-Q88 VanDerWaalsContact O-N 3.14Å; F85-V89 HydrophobicContact CD1-CG2 4.3Å; F85-V89 HydrophobicContact CD2-CG2 4.15Å; F85-V89 HydrophobicContact CE1-CG2 4.06Å; F85-V89 HydrophobicContact CE2-CG2 3.88Å; F85-V89 HydrophobicContact CG-CG2 4.36Å; F85-V89 HydrophobicContact CZ-CG2 3.83Å; F85-V89 WeakPolarHBondContact O-CG2 3.44Å; F85-V89 PolarHBondContact O-N 3.48Å; F85-L235 HydrophobicContact CE2-CD1 4.49Å; F85-Y239 HydrophobicContact CB-CE2 4.22Å; F85-Y239 HydrophobicContact CD2-CD1 4.24Å; F85-Y239 HydrophobicContact CD2-CD2 4.19Å; F85-Y239 HydrophobicContact CD2-CE1 4.15Å; F85-Y239 HydrophobicContact CD2-CE2 4.08Å; F85-Y239 HydrophobicContact CD2-CG 4.26Å; F85-Y239 PolarHBondContact N-OH 2.92Å; F85-T240 HydrophobicContact CZ-CG2 4.21Å; F85-V243 HydrophobicContact CB-CG1 4.25Å; F85-V243 HydrophobicContact CB-CG2 3.81Å; F85-V243 HydrophobicContact CD1-CB 4.28Å; F85-V243 HydrophobicContact CD1-CG1 3.75Å; F85-V243 HydrophobicContact CD1-CG2 4.25Å; F85-V243 HydrophobicContact CD2-CG2 3.97Å; F85-V243 HydrophobicContact CE1-CG1 4.3Å; F85-V243 HydrophobicContact CG-CB 4.29Å; F85-V243 HydrophobicContact CG-CG1 4.07Å; F85-V243 HydrophobicContact CG-CG2 3.76Å; F85-L288 HydrophobicContact CE1-CD1 4.47Å; F85-A291 HydrophobicContact CD1-CB 3.71Å; F85-A291 HydrophobicContact CE1-CB 3.39Å; F85-A291 HydrophobicContact CZ-CB 4.35Å; F85-I295 HydrophobicContact CZ-CD1 4.47Å |
| 86 | V | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | -179.1 | 175.6 | 0 | 0 | 0 | 0 | 111 | M82 Q88 V89 Y90 W287 V290 A291 Y613 | M82-V86 HydrophobicContact CE-CG2 4.46Å; M82-V86 WeakPolarHBondContact O-CB 3.2Å; M82-V86 VanDerWaalsContact O-CG2 3.23Å; M82-V86 WeakPolarHBondContact O-CG2 3.3Å; M82-V86 PolarHBondContact O-N 3.47Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.2Å; V86-V89 PolarHBondContact O-N 2.92Å; V86-Y90 WeakPolarHBondContact O-CB 3.33Å; V86-Y90 PolarHBondContact O-N 2.89Å; V86-W287 HydrophobicContact CG2-CD2 4.26Å; V86-W287 HydrophobicContact CG2-CG 3.95Å; V86-W287 WeakPolarHBondContact CG2-O 3.49Å; V86-V290 HydrophobicContact CG1-CG1 4.25Å; V86-A291 HydrophobicContact CG2-CB 3.94Å; V86-Y613 HydrophobicContact CG1-CE1 4.49Å |
| 87 | N | 89.5 | Confident | 89.9 | Confident | 26 Ų | 26 | 30.4 Ų | 30.4 | 14% | 0.139 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | 177.8 | -173.3 | 64.6 | 0 | 0 | 0 | 112.6 | G83 F85 S91 F457 Q461 | G83-N87 WeakPolarHBondContact O-CB 3.39Å; G83-N87 PolarHBondContact O-N 3.44Å; F85-N87 VanDerWaalsContact C-N 3.29Å; F85-N87 PolarHBondContact O-N 2.9Å; N87-S91 WeakPolarHBondContact O-CB 3.35Å; N87-S91 PolarHBondContact O-N 3.29Å; N87-S91 PolarHBondContact O-OG 3Å; N87-F457 HydrophobicContact CB-CD1 4.03Å; N87-F457 HydrophobicContact CB-CE1 4.23Å; N87-Q461 PolarHBondContact OD1-NE2 3.38Å |
| 88 | Q | 91.6 | Very high | 90.1 | Very high | 103 Ų | 103 | 32 Ų | 32 | 48% | 0.481 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -70.9 | -41.6 | 176.8 | -67.5 | -69.9 | 51.8 | 0 | 0 | 112.1 | F84 F85 V86 S91 R92 | F84-Q88 VanDerWaalsContact O-CG 3.26Å; F84-Q88 WeakPolarHBondContact O-CG 3.49Å; F84-Q88 PolarHBondContact O-N 2.85Å; F84-Q88 VanDerWaalsContact O-N 3.12Å; F85-Q88 PolarHBondContact O-N 3.42Å; F85-Q88 VanDerWaalsContact O-N 3.14Å; V86-Q88 VanDerWaalsContact C-N 3.34Å; V86-Q88 PolarHBondContact O-N 3.2Å; Q88-S91 PolarHBondContact O-N 3.19Å; Q88-R92 WeakPolarHBondContact O-CB 3.46Å; Q88-R92 PolarHBondContact O-N 3.28Å |
| 89 | V | 93.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -49.8 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | F85 V86 S91 R92 W93 L235 A291 L294 I295 | F85-V89 HydrophobicContact CD1-CG2 4.3Å; F85-V89 HydrophobicContact CD2-CG2 4.15Å; F85-V89 HydrophobicContact CE1-CG2 4.06Å; F85-V89 HydrophobicContact CE2-CG2 3.88Å; F85-V89 HydrophobicContact CG-CG2 4.36Å; F85-V89 HydrophobicContact CZ-CG2 3.83Å; F85-V89 WeakPolarHBondContact O-CG2 3.44Å; F85-V89 PolarHBondContact O-N 3.48Å; V86-V89 PolarHBondContact O-N 2.92Å; V89-S91 VanDerWaalsContact C-N 3.33Å; V89-S91 PolarHBondContact O-N 3.5Å; V89-R92 WeakPolarHBondContact O-CB 3.43Å; V89-R92 PolarHBondContact O-N 3.49Å; V89-W93 WeakPolarHBondContact O-CB 3.43Å; V89-W93 PolarHBondContact O-N 3.32Å; V89-L235 HydrophobicContact CB-CD1 4.4Å; V89-L235 HydrophobicContact CG2-CD1 3.6Å; V89-A291 HydrophobicContact CB-CB 4.39Å; V89-A291 HydrophobicContact CG1-CB 4.46Å; V89-A291 WeakPolarHBondContact CG1-O 3.47Å; V89-A291 HydrophobicContact CG2-CB 4.06Å; V89-L294 HydrophobicContact CG1-CB 3.68Å; V89-I295 HydrophobicContact CG1-CB 4.18Å |
| 90 | Y | 90.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 2% | 0.02 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.6 | -42.2 | 178.3 | 179.7 | -89.9 | 0 | 0 | 0 | 112.2 | V86 R92 W93 S94 L294 Q461 V609 Y613 | V86-Y90 WeakPolarHBondContact O-CB 3.33Å; V86-Y90 PolarHBondContact O-N 2.89Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 2.99Å; Y90-W93 HydrophobicContact CD2-CE3 4.26Å; Y90-W93 HydrophobicContact CE2-CE3 4.05Å; Y90-W93 AromaticContact CE2-CZ3 3.99Å; Y90-W93 HydrophobicContact CE2-CZ3 3.99Å; Y90-W93 PolarHBondContact O-N 2.98Å; Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 3.31Å; Y90-L294 HydrophobicContact CD2-CD1 4.16Å; Y90-Q461 HydrophobicContact CD1-CB 4.21Å; Y90-Q461 VanDerWaalsContact CD1-CD 3.41Å; Y90-Q461 HydrophobicContact CD1-CG 3.83Å; Y90-Q461 HydrophobicContact CE1-CB 3.89Å; Y90-Q461 HydrophobicContact CE1-CG 4.01Å; Y90-V609 HydrophobicContact CE2-CG1 4.4Å; Y90-Y613 HydrophobicContact CD2-CD1 4.34Å; Y90-Y613 HydrophobicContact CD2-CE1 4.42Å |
| 91 | S | 90.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 27.4 Ų | 27.4 | 28% | 0.28 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 177.5 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | N87 Q88 V89 S95 | N87-S91 WeakPolarHBondContact O-CB 3.35Å; N87-S91 PolarHBondContact O-N 3.29Å; N87-S91 PolarHBondContact O-OG 3Å; Q88-S91 PolarHBondContact O-N 3.19Å; V89-S91 VanDerWaalsContact C-N 3.33Å; V89-S91 PolarHBondContact O-N 3.5Å; S91-S95 PolarHBondContact O-N 3.1Å; S91-S95 VanDerWaalsContact O-N 3.11Å; S91-S95 PolarHBondContact O-OG 3.48Å |
| 92 | R | 91.5 | Very high | 90.7 | Very high | 41 Ų | 41 | 28.1 Ų | 28.1 | 16% | 0.155 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -69.3 | -43.8 | 175.4 | -179.8 | 179.9 | 171.4 | 99.7 | 4.8 | 112.6 | Q88 V89 Y90 S94 S95 N96 Y230 I233 | Q88-R92 WeakPolarHBondContact O-CB 3.46Å; Q88-R92 PolarHBondContact O-N 3.28Å; V89-R92 WeakPolarHBondContact O-CB 3.43Å; V89-R92 PolarHBondContact O-N 3.49Å; Y90-R92 VanDerWaalsContact C-N 3.29Å; Y90-R92 PolarHBondContact O-N 2.99Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.35Å; R92-S95 PolarHBondContact O-N 3.09Å; R92-S95 VanDerWaalsContact O-N 3.12Å; R92-N96 PolarHBondContact O-N 3.26Å; R92-N96 PolarHBondContact O-ND2 3.41Å; R92-Y230 HydrophobicContact CG-CD1 4.2Å; R92-Y230 HydrophobicContact CG-CE1 4.18Å; R92-Y230 VanDerWaalsContact NH2-C 3.33Å; R92-Y230 PolarHBondContact NH2-O 2.88Å; R92-I233 VanDerWaalsContact CZ-O 3.31Å; R92-I233 PolarHBondContact NH1-O 3.35Å; R92-I233 PolarHBondContact NH2-O 3.14Å |
| 93 | W | 92.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.019 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54.9 | -48.1 | 173.1 | 174.1 | 95 | 0 | 0 | 0 | 110.7 | V89 Y90 S95 N96 F97 L294 F305 V607 P608 P610 | V89-W93 WeakPolarHBondContact O-CB 3.43Å; V89-W93 PolarHBondContact O-N 3.32Å; Y90-W93 HydrophobicContact CD2-CE3 4.26Å; Y90-W93 HydrophobicContact CE2-CE3 4.05Å; Y90-W93 AromaticContact CE2-CZ3 3.99Å; Y90-W93 HydrophobicContact CE2-CZ3 3.99Å; Y90-W93 PolarHBondContact O-N 2.98Å; W93-S95 VanDerWaalsContact C-N 3.28Å; W93-S95 PolarHBondContact O-N 2.97Å; W93-N96 PolarHBondContact O-N 3.48Å; W93-F97 PolarHBondContact O-N 3.25Å; W93-L294 HydrophobicContact CB-CB 4.26Å; W93-L294 VanDerWaalsContact CD1-CD2 3.48Å; W93-L294 HydrophobicContact CD2-CD2 4.07Å; W93-L294 HydrophobicContact CG-CB 4.25Å; W93-L294 HydrophobicContact CG-CD2 3.9Å; W93-F305 HydrophobicContact CD2-CE1 4.43Å; W93-F305 HydrophobicContact CD2-CZ 4.2Å; W93-F305 AromaticContact CE2-CE1 3.54Å; W93-F305 AromaticContact CE2-CZ 3.7Å; W93-F305 HydrophobicContact CG-CZ 4.36Å; W93-F305 HydrophobicContact CH2-CE1 4.47Å; W93-F305 AromaticContact CZ2-CE1 3.57Å; W93-F305 HydrophobicContact CZ2-CE1 3.57Å; W93-F305 HydrophobicContact CZ2-CZ 4.15Å; W93-F305 AromaticContact NE1-CE1 3.54Å; W93-F305 AromaticContact NE1-CZ 3.57Å; W93-V607 HydrophobicContact CH2-CG1 3.72Å; W93-V607 HydrophobicContact CZ2-CG1 3.73Å; W93-P608 WeakPolarHBondContact CH2-O 3.21Å; W93-P610 HydrophobicContact CH2-CG 4.42Å; W93-P610 HydrophobicContact CZ2-CG 4.32Å |
| 94 | S | 89.9 | Confident | 91 | Very high | 19 Ų | 19 | 28.2 Ų | 28.2 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.4 | -36.1 | 176.7 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | Y90 R92 K98 | Y90-S94 WeakPolarHBondContact O-CB 3.38Å; Y90-S94 PolarHBondContact O-N 3.31Å; R92-S94 VanDerWaalsContact C-N 3.3Å; R92-S94 PolarHBondContact O-N 3.35Å; S94-K98 WeakPolarHBondContact O-CD 3.45Å; S94-K98 WeakPolarHBondContact O-CE 3.48Å; S94-K98 WeakPolarHBondContact O-CG 3.32Å; S94-K98 PolarHBondContact O-N 3.39Å; S94-K98 VanDerWaalsContact OG-CE 3.25Å; S94-K98 WeakPolarHBondContact OG-CE 3.48Å; S94-K98 PolarHBondContact OG-NZ 2.98Å |
| 95 | S | 91.3 | Very high | 90.9 | Very high | 31 Ų | 31 | 23.3 Ų | 23.3 | 22% | 0.217 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -73.7 | -40.8 | 177.3 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | S91 R92 W93 F97 K98 S99 Y230 | S91-S95 PolarHBondContact O-N 3.1Å; S91-S95 VanDerWaalsContact O-N 3.11Å; S91-S95 PolarHBondContact O-OG 3.48Å; R92-S95 PolarHBondContact O-N 3.09Å; R92-S95 VanDerWaalsContact O-N 3.12Å; W93-S95 VanDerWaalsContact C-N 3.28Å; W93-S95 PolarHBondContact O-N 2.97Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 2.69Å; S95-K98 PolarHBondContact O-N 3.24Å; S95-K98 VanDerWaalsContact O-N 3.12Å; S95-S99 PolarHBondContact O-N 3.38Å; S95-S99 VanDerWaalsContact O-N 3.1Å; S95-S99 PolarHBondContact O-OG 3.17Å; S95-Y230 VanDerWaalsContact CB-OH 3.25Å; S95-Y230 WeakPolarHBondContact CB-OH 3.24Å |
| 96 | N | 91.3 | Very high | 90.9 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.032 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.4 | -45 | 173.1 | -82.4 | -82.3 | 0 | 0 | 0 | 111.6 | R92 W93 K98 S99 L100 Y230 P297 F298 F305 | R92-N96 PolarHBondContact O-N 3.26Å; R92-N96 PolarHBondContact O-ND2 3.41Å; W93-N96 PolarHBondContact O-N 3.48Å; N96-K98 VanDerWaalsContact C-N 3.3Å; N96-K98 PolarHBondContact O-N 2.85Å; N96-S99 PolarHBondContact O-N 3.26Å; N96-S99 VanDerWaalsContact O-N 3.11Å; N96-L100 PolarHBondContact O-N 3.35Å; N96-Y230 WeakPolarHBondContact OD1-CB 3.43Å; N96-P297 HydrophobicContact CB-CG 4.13Å; N96-F298 HydrophobicContact CB-CE2 4.2Å; N96-F298 HydrophobicContact CB-CZ 4.15Å; N96-F305 HydrophobicContact CB-CE2 4.25Å |
| 97 | F | 90.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 5% | 0.053 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -55.9 | -44.1 | 175 | -176.5 | -116.8 | 0 | 0 | 0 | 112.7 | W93 S95 S99 L100 F305 L603 V607 | W93-F97 PolarHBondContact O-N 3.25Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 2.69Å; F97-S99 VanDerWaalsContact C-N 3.25Å; F97-S99 PolarHBondContact O-N 2.84Å; F97-L100 HydrophobicContact CD2-CD1 3.79Å; F97-L100 HydrophobicContact CE2-CD1 4.23Å; F97-L100 WeakPolarHBondContact O-CB 3.35Å; F97-L100 PolarHBondContact O-N 3.18Å; F97-F305 HydrophobicContact CB-CE1 4.02Å; F97-F305 HydrophobicContact CB-CE2 3.93Å; F97-F305 HydrophobicContact CB-CZ 3.47Å; F97-F305 VanDerWaalsContact CB-CZ 3.47Å; F97-F305 AromaticContact CD2-CD1 3.98Å; F97-F305 HydrophobicContact CD2-CD1 3.98Å; F97-F305 AromaticContact CD2-CE1 3.72Å; F97-F305 HydrophobicContact CD2-CE1 3.72Å; F97-F305 HydrophobicContact CD2-CE2 4.34Å; F97-F305 HydrophobicContact CD2-CG 4.43Å; F97-F305 AromaticContact CD2-CZ 3.95Å; F97-F305 HydrophobicContact CD2-CZ 3.95Å; F97-F305 HydrophobicContact CG-CE1 4.19Å; F97-F305 HydrophobicContact CG-CZ 4.13Å; F97-L603 HydrophobicContact CE1-CB 4.16Å; F97-L603 HydrophobicContact CZ-CB 3.81Å; F97-L603 WeakPolarHBondContact CZ-O 3.47Å; F97-V607 HydrophobicContact CD2-CB 4.32Å; F97-V607 HydrophobicContact CD2-CG1 4.26Å; F97-V607 HydrophobicContact CD2-CG2 4.17Å; F97-V607 HydrophobicContact CE1-CB 4.28Å; F97-V607 HydrophobicContact CE2-CB 3.7Å; F97-V607 HydrophobicContact CE2-CG1 4.13Å; F97-V607 HydrophobicContact CE2-CG2 3.32Å; F97-V607 HydrophobicContact CZ-CB 3.64Å; F97-V607 HydrophobicContact CZ-CG1 4.39Å; F97-V607 HydrophobicContact CZ-CG2 3.61Å |
| 98 | K | 89 | Confident | 91.2 | Very high | 104 Ų | 104 | 22 Ų | 22 | 45% | 0.452 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -68.2 | -25.2 | -179.6 | -66.8 | 162.4 | -155.8 | 154 | 0 | 112.8 | S94 S95 N96 | S94-K98 WeakPolarHBondContact O-CD 3.45Å; S94-K98 WeakPolarHBondContact O-CE 3.48Å; S94-K98 WeakPolarHBondContact O-CG 3.32Å; S94-K98 PolarHBondContact O-N 3.39Å; S94-K98 VanDerWaalsContact OG-CE 3.25Å; S94-K98 WeakPolarHBondContact OG-CE 3.48Å; S94-K98 PolarHBondContact OG-NZ 2.98Å; S95-K98 PolarHBondContact O-N 3.24Å; S95-K98 VanDerWaalsContact O-N 3.12Å; N96-K98 VanDerWaalsContact C-N 3.3Å; N96-K98 PolarHBondContact O-N 2.85Å |
| 99 | S | 91.2 | Very high | 91.1 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 11% | 0.112 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -85.2 | -9.2 | -178.4 | -64.1 | 0 | 0 | 0 | 0 | 113.5 | S95 N96 F97 S223 T226 | S95-S99 PolarHBondContact O-N 3.38Å; S95-S99 VanDerWaalsContact O-N 3.1Å; S95-S99 PolarHBondContact O-OG 3.17Å; N96-S99 PolarHBondContact O-N 3.26Å; N96-S99 VanDerWaalsContact O-N 3.11Å; F97-S99 VanDerWaalsContact C-N 3.25Å; F97-S99 PolarHBondContact O-N 2.84Å; S99-S223 WeakPolarHBondContact O-CB 3.27Å; S99-T226 WeakPolarHBondContact OG-CG2 3.34Å |
| 100 | L | 92.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -55.4 | 131 | 174.7 | -74.3 | 168 | 0 | 0 | 0 | 111.1 | N96 F97 W102 L140 L227 F298 F305 I307 I310 | N96-L100 PolarHBondContact O-N 3.35Å; F97-L100 HydrophobicContact CD2-CD1 3.79Å; F97-L100 HydrophobicContact CE2-CD1 4.23Å; F97-L100 WeakPolarHBondContact O-CB 3.35Å; F97-L100 PolarHBondContact O-N 3.18Å; L100-W102 PolarHBondContact O-N 2.96Å; L100-W102 PolarHBondContact O-NE1 3.1Å; L100-L140 HydrophobicContact CD2-CD2 4.32Å; L100-L227 HydrophobicContact CD2-CD1 4.48Å; L100-F298 HydrophobicContact CD2-CE1 3.93Å; L100-F305 HydrophobicContact CD1-CD2 3.96Å; L100-F305 HydrophobicContact CD1-CE2 4.5Å; L100-F305 HydrophobicContact CD1-CG 4.28Å; L100-I307 HydrophobicContact CD2-CD1 3.8Å; L100-I310 HydrophobicContact CD1-CD1 3.75Å; L100-I310 HydrophobicContact CD2-CD1 4.24Å; L100-I310 HydrophobicContact CG-CD1 4.46Å |
| 101 | P | 88.1 | Confident | 91.2 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | trans | -75.2 | 120.9 | -174.7 | 28.7 | -33.9 | 0 | 0 | 0 | 111.7 | C136 V224 N314 | P101-C136 VanDerWaalsContact CB-SG 3.58Å; P101-C136 HydrophobicContact CG-CB 3.99Å; P101-V224 HydrophobicContact CB-CG1 4.36Å; P101-V224 HydrophobicContact CG-CG1 4.32Å; P101-N314 PolarHBondContact O-ND2 3.01Å | ||
| 102 | W | 89.7 | Confident | 91 | Very high | 58 Ų | 58 | 15.7 Ų | 15.7 | 22% | 0.22 | 8% | 0.076 | C | C | . | . | trans | -112 | 110.8 | 172.6 | -63.9 | 93.9 | 0 | 0 | 0 | 109.6 | L100 I310 L603 W606 | L100-W102 PolarHBondContact O-N 2.96Å; L100-W102 PolarHBondContact O-NE1 3.1Å; W102-I310 HydrophobicContact CH2-CD1 4.49Å; W102-I310 HydrophobicContact CH2-CG1 4.01Å; W102-I310 HydrophobicContact CZ2-CD1 4.24Å; W102-I310 HydrophobicContact CZ2-CG1 4.24Å; W102-L603 HydrophobicContact CD2-CD1 3.85Å; W102-L603 HydrophobicContact CG-CD1 4.26Å; W102-L603 HydrophobicContact CH2-CD1 4.37Å; W102-L603 HydrophobicContact CH2-CD2 3.34Å; W102-L603 HydrophobicContact CH2-CG 4.42Å; W102-L603 HydrophobicContact CZ2-CD1 3.64Å; W102-L603 HydrophobicContact CZ2-CD2 3.15Å; W102-L603 HydrophobicContact CZ2-CG 4.01Å; W102-L603 HydrophobicContact CZ3-CD2 4.11Å; W102-L603 VanDerWaalsContact NE1-CD1 3.32Å; W102-W606 HydrophobicContact CH2-CZ3 4.34Å | ||
| 103 | I | 92 | Very high | 91 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 7% | 0.069 | C | C | . | . | trans | -93.7 | -3.6 | -163.5 | 63.2 | 164.8 | 0 | 0 | 0 | 114.8 | S105 M106 M107 I132 N133 N314 | I103-S105 PolarHBondContact O-N 3.48Å; I103-M106 CarbonylContact O-C 3.46Å; I103-M106 WeakPolarHBondContact O-CA 3.43Å; I103-M106 VanDerWaalsContact O-CB 3.25Å; I103-M106 WeakPolarHBondContact O-CB 3.39Å; I103-M106 PolarHBondContact O-N 3.37Å; I103-M107 HydrophobicContact CB-CE 4.24Å; I103-M107 HydrophobicContact CB-CG 4.42Å; I103-M107 HydrophobicContact CD1-CE 4.05Å; I103-M107 HydrophobicContact CD1-CG 4.01Å; I103-M107 HydrophobicContact CD1-SD 4.49Å; I103-M107 HydrophobicContact CG1-CG 4.17Å; I103-M107 WeakPolarHBondContact O-CG 3.09Å; I103-M107 PolarHBondContact O-N 2.84Å; I103-I132 HydrophobicContact CB-CG2 4.45Å; I103-I132 HydrophobicContact CG2-CG2 3.91Å; I103-N133 WeakPolarHBondContact CD1-ND2 3.08Å; I103-N133 WeakPolarHBondContact CD1-OD1 3.48Å; I103-N314 HydrophobicContact CD1-CB 3.87Å; I103-N314 WeakPolarHBondContact CD1-O 3.49Å; I103-N314 HydrophobicContact CG1-CB 3.91Å | ||
| 104 | D | 90.4 | Very high | 91 | Very high | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.011 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -67.5 | -34.7 | -168.6 | 8.4 | -22.3 | 0 | 0 | 0 | 113.1 | M106 M107 I108 R313 V317 M321 R595 | D104-M106 VanDerWaalsContact C-N 3.26Å; D104-M106 PolarHBondContact O-N 3.25Å; D104-M107 PolarHBondContact O-N 2.86Å; D104-I108 VanDerWaalsContact O-CG1 3.25Å; D104-I108 WeakPolarHBondContact O-CG1 3.13Å; D104-I108 PolarHBondContact O-N 3.08Å; D104-R313 IonicContact OD1-CZ 3.72Å; D104-R313 IonicContact OD1-NH1 3.3Å; D104-R313 PolarHBondContact OD1-NH1 2.7Å; D104-R313 IonicContact OD1-NH2 2.9Å; D104-R313 PolarHBondContact OD1-NH2 3.46Å; D104-R313 IonicContact OD2-CZ 2.62Å; D104-R313 IonicContact OD2-NH1 2.65Å; D104-R313 IonicContact OD2-NH2 3.65Å; D104-R313 PolarHBondContact OD2-NH2 3.12Å; D104-V317 HydrophobicContact CB-CG1 4.17Å; D104-M321 HydrophobicContact CB-CE 3.5Å; D104-M321 VanDerWaalsContact CB-CE 3.5Å; D104-M321 HydrophobicContact CB-SD 3.64Å; D104-R595 IonicContact OD1-NH1 3.56Å; D104-R595 PolarHBondContact OD1-NH1 3.48Å; D104-R595 IonicContact OD2-NH1 3.29Å; D104-R595 PolarHBondContact OD2-NH1 3.11Å |
| 105 | S | 89.3 | Confident | 91.1 | Very high | 13 Ų | 13 | 14.6 Ų | 14.6 | 9% | 0.091 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 169.7 | -85.9 | 0 | 0 | 0 | 0 | 112.2 | I103 R109 R595 | I103-S105 PolarHBondContact O-N 3.48Å; S105-R109 WeakPolarHBondContact O-CB 3.46Å; S105-R109 PolarHBondContact O-N 3.31Å; S105-R109 VanDerWaalsContact O-N 3.14Å; S105-R595 PolarHBondContact OG-NE 3.45Å; S105-R595 PolarHBondContact OG-NH2 3.37Å |
| 106 | M | 92.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.4 | -40.6 | 176.1 | 172 | 62.7 | -168.1 | 0 | 0 | 110.6 | I103 D104 R109 A110 L128 I132 L213 E216 I217 | I103-M106 CarbonylContact O-C 3.46Å; I103-M106 WeakPolarHBondContact O-CA 3.43Å; I103-M106 VanDerWaalsContact O-CB 3.25Å; I103-M106 WeakPolarHBondContact O-CB 3.39Å; I103-M106 PolarHBondContact O-N 3.37Å; D104-M106 VanDerWaalsContact C-N 3.26Å; D104-M106 PolarHBondContact O-N 3.25Å; M106-R109 PolarHBondContact O-N 2.82Å; M106-A110 WeakPolarHBondContact O-CB 3.33Å; M106-A110 PolarHBondContact O-N 2.83Å; M106-L128 HydrophobicContact CE-CD1 3.96Å; M106-L128 HydrophobicContact CE-CD2 3.79Å; M106-L128 HydrophobicContact CE-CG 3.91Å; M106-I132 HydrophobicContact CE-CD1 3.99Å; M106-I132 HydrophobicContact CE-CG1 3.98Å; M106-I132 HydrophobicContact CG-CG1 4.37Å; M106-I132 HydrophobicContact CG-CG2 4.44Å; M106-L213 HydrophobicContact CE-CD1 3.62Å; M106-L213 HydrophobicContact CE-CG 4.17Å; M106-L213 HydrophobicContact SD-CD1 3.87Å; M106-E216 HydrophobicContact CB-CB 4.07Å; M106-E216 HydrophobicContact CG-CB 4.3Å; M106-E216 HydrophobicContact SD-CB 3.33Å; M106-E216 WeakPolarHBondContact SD-CB 3.29Å; M106-E216 HydrophobicContact SD-CG 4.43Å; M106-I217 HydrophobicContact CE-CD1 4.12Å; M106-I217 HydrophobicContact CE-CG1 3.47Å; M106-I217 VanDerWaalsContact CE-CG1 3.47Å; M106-I217 HydrophobicContact SD-CG1 3.99Å |
| 107 | M | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -72.9 | -41.2 | -178.1 | -62.4 | -56.3 | 130.4 | 0 | 0 | 112.9 | I103 D104 R109 A110 A111 A129 I132 M321 V322 | I103-M107 HydrophobicContact CB-CE 4.24Å; I103-M107 HydrophobicContact CB-CG 4.42Å; I103-M107 HydrophobicContact CD1-CE 4.05Å; I103-M107 HydrophobicContact CD1-CG 4.01Å; I103-M107 HydrophobicContact CD1-SD 4.49Å; I103-M107 HydrophobicContact CG1-CG 4.17Å; I103-M107 WeakPolarHBondContact O-CG 3.09Å; I103-M107 PolarHBondContact O-N 2.84Å; D104-M107 PolarHBondContact O-N 2.86Å; M107-R109 VanDerWaalsContact C-N 3.25Å; M107-R109 PolarHBondContact O-N 2.89Å; M107-A110 PolarHBondContact O-N 2.9Å; M107-A111 WeakPolarHBondContact O-CB 3.3Å; M107-A111 PolarHBondContact O-N 3.11Å; M107-A129 HydrophobicContact CE-CB 4.32Å; M107-A129 HydrophobicContact SD-CB 3.48Å; M107-A129 WeakPolarHBondContact SD-CB 3.14Å; M107-I132 HydrophobicContact CE-CB 3.85Å; M107-I132 HydrophobicContact CE-CG1 4.08Å; M107-I132 HydrophobicContact CE-CG2 3.85Å; M107-M321 HydrophobicContact CB-CB 4.03Å; M107-M321 HydrophobicContact CB-SD 3.83Å; M107-V322 HydrophobicContact CB-CG1 4.01Å; M107-V322 HydrophobicContact SD-CG1 3.96Å |
| 108 | I | 90.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 169.6 | -64.3 | 164.2 | 0 | 0 | 0 | 109.4 | D104 A111 I112 M321 C566 L592 R595 | D104-I108 VanDerWaalsContact O-CG1 3.25Å; D104-I108 WeakPolarHBondContact O-CG1 3.13Å; D104-I108 PolarHBondContact O-N 3.08Å; I108-A111 PolarHBondContact O-N 3.36Å; I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 WeakPolarHBondContact O-CG2 3.17Å; I108-I112 PolarHBondContact O-N 3.07Å; I108-M321 HydrophobicContact CD1-CE 4.05Å; I108-M321 HydrophobicContact CD1-SD 4.45Å; I108-M321 HydrophobicContact CG1-CE 3.92Å; I108-M321 HydrophobicContact CG1-SD 3.75Å; I108-C566 HydrophobicContact CG2-CB 3.85Å; I108-C566 WeakPolarHBondContact CG2-SG 3.46Å; I108-L592 HydrophobicContact CB-CD2 3.78Å; I108-L592 HydrophobicContact CD1-CD2 3.69Å; I108-L592 HydrophobicContact CG1-CD2 4.34Å; I108-L592 HydrophobicContact CG2-CD2 3.66Å; I108-R595 HydrophobicContact CD1-CG 4.32Å |
| 109 | R | 91 | Very high | 91.1 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 3% | 0.034 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -39.8 | 179.4 | -162.5 | 177.7 | -61.2 | -101.5 | 13.6 | 112.4 | S105 M106 M107 A111 I112 S113 K212 L213 E216 N589 | S105-R109 WeakPolarHBondContact O-CB 3.46Å; S105-R109 PolarHBondContact O-N 3.31Å; S105-R109 VanDerWaalsContact O-N 3.14Å; M106-R109 PolarHBondContact O-N 2.82Å; M107-R109 VanDerWaalsContact C-N 3.25Å; M107-R109 PolarHBondContact O-N 2.89Å; R109-A111 VanDerWaalsContact C-N 3.34Å; R109-I112 HydrophobicContact CG-CD1 4.38Å; R109-I112 VanDerWaalsContact O-CG1 3.25Å; R109-I112 WeakPolarHBondContact O-CG1 3.28Å; R109-I112 PolarHBondContact O-N 3.28Å; R109-S113 VanDerWaalsContact O-CB 3.25Å; R109-S113 WeakPolarHBondContact O-CB 3.29Å; R109-S113 PolarHBondContact O-N 2.82Å; R109-S113 PolarHBondContact O-OG 3.16Å; R109-K212 VanDerWaalsContact CD-O 3.27Å; R109-K212 WeakPolarHBondContact CD-O 3.32Å; R109-L213 HydrophobicContact CB-CD1 4.31Å; R109-L213 HydrophobicContact CG-CD1 4.22Å; R109-E216 HydrophobicContact CB-CG 4.31Å; R109-E216 VanDerWaalsContact CD-CG 3.49Å; R109-E216 IonicContact CZ-OE1 3.09Å; R109-E216 IonicContact NE-OE1 2.95Å; R109-E216 PolarHBondContact NE-OE1 3.41Å; R109-E216 IonicContact NH2-OE1 3.98Å; R109-E216 PolarHBondContact NH2-OE1 3.34Å; R109-N589 PolarHBondContact NH1-OD1 2.83Å; R109-N589 PolarHBondContact NH2-OD1 3.34Å |
| 110 | A | 93.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | M106 M107 I112 S113 I114 L128 L213 V322 | M106-A110 WeakPolarHBondContact O-CB 3.33Å; M106-A110 PolarHBondContact O-N 2.83Å; M107-A110 PolarHBondContact O-N 2.9Å; A110-I112 PolarHBondContact O-N 3.27Å; A110-S113 PolarHBondContact O-N 3.14Å; A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 PolarHBondContact O-N 3.16Å; A110-I114 VanDerWaalsContact O-N 3.1Å; A110-L128 HydrophobicContact CB-CD2 3.78Å; A110-L213 HydrophobicContact CB-CD1 4.12Å; A110-V322 HydrophobicContact CB-CG1 4.29Å |
| 111 | A | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.6 | -42.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M107 I108 R109 V322 Y326 | M107-A111 WeakPolarHBondContact O-CB 3.3Å; M107-A111 PolarHBondContact O-N 3.11Å; I108-A111 PolarHBondContact O-N 3.36Å; R109-A111 VanDerWaalsContact C-N 3.34Å; A111-V322 HydrophobicContact CB-CG1 4.49Å; A111-Y326 HydrophobicContact CB-CD2 4.33Å; A111-Y326 VanDerWaalsContact O-CD2 3.26Å; A111-Y326 WeakPolarHBondContact O-CD2 3.35Å; A111-Y326 WeakPolarHBondContact O-CE2 3.5Å |
| 112 | I | 86.2 | Confident | 91.5 | Very high | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -80.1 | -24.3 | -178.9 | 66.4 | -179.4 | 0 | 0 | 0 | 114.5 | I108 R109 A110 H115 M209 C566 M588 | I108-I112 WeakPolarHBondContact O-CG1 3.49Å; I108-I112 WeakPolarHBondContact O-CG2 3.17Å; I108-I112 PolarHBondContact O-N 3.07Å; R109-I112 HydrophobicContact CG-CD1 4.38Å; R109-I112 VanDerWaalsContact O-CG1 3.25Å; R109-I112 WeakPolarHBondContact O-CG1 3.28Å; R109-I112 PolarHBondContact O-N 3.28Å; A110-I112 PolarHBondContact O-N 3.27Å; I112-H115 PolarHBondContact O-CE1 2.94Å; I112-M209 HydrophobicContact CD1-CE 4.34Å; I112-M209 HydrophobicContact CG1-CE 4.29Å; I112-C566 HydrophobicContact CG2-CB 4.17Å; I112-M588 HydrophobicContact CB-CE 4.41Å; I112-M588 HydrophobicContact CD1-CE 3.61Å; I112-M588 HydrophobicContact CD1-CG 3.32Å; I112-M588 HydrophobicContact CD1-SD 3.48Å; I112-M588 WeakPolarHBondContact CD1-SD 3.35Å; I112-M588 HydrophobicContact CG2-CE 4Å; I112-M588 HydrophobicContact CG2-SD 4.41Å |
| 113 | S | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -93.1 | -31.7 | -173.1 | -62.2 | 0 | 0 | 0 | 0 | 113.3 | R109 A110 M209 | R109-S113 VanDerWaalsContact O-CB 3.25Å; R109-S113 WeakPolarHBondContact O-CB 3.29Å; R109-S113 PolarHBondContact O-N 2.82Å; R109-S113 PolarHBondContact O-OG 3.16Å; A110-S113 PolarHBondContact O-N 3.14Å; S113-M209 VanDerWaalsContact OG-CE 3.22Å; S113-M209 WeakPolarHBondContact OG-CE 3.31Å |
| 114 | I | 93.8 | Very high | 92 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -99.2 | 105.9 | -176.5 | -59.8 | 174.8 | 0 | 0 | 0 | 108.7 | A110 L124 R125 L128 I204 L213 | A110-I114 WeakPolarHBondContact O-CB 3.31Å; A110-I114 PolarHBondContact O-N 3.16Å; A110-I114 VanDerWaalsContact O-N 3.1Å; I114-L124 HydrophobicContact CG2-CB 3.82Å; I114-L124 HydrophobicContact CG2-CD1 4.22Å; I114-R125 HydrophobicContact CB-CG 3.75Å; I114-R125 HydrophobicContact CD1-CG 4.47Å; I114-R125 HydrophobicContact CG2-CG 3.79Å; I114-R125 PolarHBondContact O-NH1 3.37Å; I114-L128 HydrophobicContact CD1-CD2 3.59Å; I114-I204 HydrophobicContact CG1-CD1 4.33Å; I114-I204 HydrophobicContact CG1-CG1 4.17Å; I114-L213 HydrophobicContact CD1-CD2 4.04Å; I114-L213 HydrophobicContact CG1-CD2 4.16Å |
| 115 | H | 90.9 | Very high | 92.3 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | trans | -85 | 154.1 | -176 | -59.9 | -60.8 | 0 | 0 | 0 | 113.3 | I112 R203 D205 Y326 | I112-H115 PolarHBondContact O-CE1 2.94Å; H115-R203 WeakPolarHBondContact CB-O 3.33Å; H115-R203 PolarHBondContact CD2-O 3.07Å; H115-R203 PolarHBondContact N-O 3.01Å; H115-D205 IonicContact CD2-OD2 3.83Å; H115-D205 IonicContact CE1-OD2 3.7Å; H115-D205 IonicContact NE2-OD1 3.74Å; H115-D205 IonicContact NE2-OD2 3.34Å; H115-D205 PolarHBondContact NE2-OD2 2.93Å; H115-Y326 WeakPolarHBondContact CA-OH 3.5Å | ||
| 116 | G | 87.6 | Confident | 92.6 | Very high | 13 Ų | 13 | 34.8 Ų | 34.8 | 13% | 0.134 | 17% | 0.165 | C | C | . | . | trans | 130.5 | 119.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | D118 R125 Y326 | G116-D118 VanDerWaalsContact C-N 3.31Å; G116-D118 VanDerWaalsContact CA-OD1 3.28Å; G116-D118 WeakPolarHBondContact CA-OD1 3.33Å; G116-R125 PolarHBondContact O-NH1 2.88Å; G116-R125 PolarHBondContact O-NH2 2.65Å; G116-Y326 PolarHBondContact N-OH 3.13Å | ||
| 117 | L | 87.6 | Confident | 92.8 | Very high | 160 Ų | 160 | 35.4 Ų | 35.4 | 84% | 0.838 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -86.2 | -9.3 | 170.7 | -68.4 | 169.1 | 0 | 0 | 0 | 112 | Y326 | L117-Y326 HydrophobicContact CD2-CD1 4.02Å; L117-Y326 HydrophobicContact CD2-CE1 3.67Å; L117-Y326 HydrophobicContact CG-CE1 4.36Å |
| 118 | D | 93.1 | Very high | 92.9 | Very high | 69 Ų | 69 | 35.4 Ų | 35.4 | 37% | 0.369 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -78.1 | 166 | 174.9 | 63.5 | -39.3 | 0 | 0 | 0 | 112 | G116 R120 G121 R122 R203 | G116-D118 VanDerWaalsContact C-N 3.31Å; G116-D118 VanDerWaalsContact CA-OD1 3.28Å; G116-D118 WeakPolarHBondContact CA-OD1 3.33Å; D118-R120 PolarHBondContact O-N 3.38Å; D118-R120 VanDerWaalsContact O-N 3.15Å; D118-G121 PolarHBondContact O-N 3.35Å; D118-G121 VanDerWaalsContact O-N 3.11Å; D118-R122 PolarHBondContact O-N 3.41Å; D118-R122 VanDerWaalsContact O-N 3.11Å; D118-R203 IonicContact OD1-CZ 3.47Å; D118-R203 IonicContact OD1-NH1 3.52Å; D118-R203 PolarHBondContact OD1-NH1 2.68Å; D118-R203 IonicContact OD1-NH2 2.68Å; D118-R203 IonicContact OD2-CZ 3.52Å; D118-R203 IonicContact OD2-NH1 3.56Å; D118-R203 PolarHBondContact OD2-NH1 2.92Å; D118-R203 IonicContact OD2-NH2 3.55Å; D118-R203 PolarHBondContact OD2-NH2 2.77Å |
| 119 | E | 92.6 | Very high | 93.2 | Very high | 120 Ų | 120 | 35.3 Ų | 35.3 | 56% | 0.561 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -59.4 | -31.3 | -176.8 | -168.6 | 57.7 | -153.6 | 0 | 0 | 112.3 | R122 L123 | E119-R122 PolarHBondContact O-N 3.14Å; E119-R122 IonicContact OE1-NH1 3.52Å; E119-R122 PolarHBondContact OE1-NH1 3.07Å; E119-R122 IonicContact OE2-NH1 2.73Å; E119-L123 WeakPolarHBondContact O-CB 3.44Å; E119-L123 PolarHBondContact O-N 3.28Å |
| 120 | R | 95.1 | Very high | 93.5 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 29% | 0.287 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.7 | -45.9 | 176.6 | -179.4 | 60 | -178.3 | 173.1 | 4.1 | 112.2 | D118 R122 L123 L124 E201 | D118-R120 PolarHBondContact O-N 3.38Å; D118-R120 VanDerWaalsContact O-N 3.15Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-L123 PolarHBondContact O-N 3.44Å; R120-L124 WeakPolarHBondContact O-CG 3.32Å; R120-L124 PolarHBondContact O-N 3.29Å; R120-E201 IonicContact CZ-OE1 2.66Å; R120-E201 IonicContact CZ-OE2 3.32Å; R120-E201 IonicContact NE-OE1 3.32Å; R120-E201 IonicContact NE-OE2 2.82Å; R120-E201 PolarHBondContact NE-OE2 3.29Å; R120-E201 IonicContact NH2-OE1 3.72Å; R120-E201 PolarHBondContact NH2-OE1 3.14Å; R120-E201 IonicContact NH2-OE2 3.04Å; R120-E201 PolarHBondContact NH2-OE2 2.93Å |
| 121 | G | 92.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D118 L124 R125 | D118-G121 PolarHBondContact O-N 3.35Å; D118-G121 VanDerWaalsContact O-N 3.11Å; G121-L124 PolarHBondContact O-N 2.84Å; G121-R125 PolarHBondContact O-N 3.04Å; G121-R125 VanDerWaalsContact O-N 3.15Å; G121-R125 PolarHBondContact O-NH1 3.35Å |
| 122 | R | 94.4 | Very high | 94 | Very high | 77 Ų | 77 | 37.9 Ų | 37.9 | 29% | 0.291 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 174.1 | -178.2 | 176.8 | 176.2 | -96.4 | -2.6 | 112.3 | D118 E119 R120 L124 R125 R126 D323 | D118-R122 PolarHBondContact O-N 3.41Å; D118-R122 VanDerWaalsContact O-N 3.11Å; E119-R122 PolarHBondContact O-N 3.14Å; E119-R122 IonicContact OE1-NH1 3.52Å; E119-R122 PolarHBondContact OE1-NH1 3.07Å; E119-R122 IonicContact OE2-NH1 2.73Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R122-L124 PolarHBondContact O-N 3.36Å; R122-R125 PolarHBondContact O-N 2.99Å; R122-R126 HydrophobicContact CG-CG 4.33Å; R122-R126 WeakPolarHBondContact O-CB 3.48Å; R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 3.31Å; R122-D323 WeakPolarHBondContact CD-OD1 3.41Å; R122-D323 IonicContact CZ-OD1 3.38Å; R122-D323 IonicContact CZ-OD2 2.73Å; R122-D323 VanDerWaalsContact CZ-OD2 3.31Å; R122-D323 VanDerWaalsContact NE-CG 3.3Å; R122-D323 IonicContact NE-OD1 3.25Å; R122-D323 PolarHBondContact NE-OD1 2.88Å; R122-D323 IonicContact NE-OD2 3.23Å; R122-D323 PolarHBondContact NE-OD2 3.43Å; R122-D323 IonicContact NH2-OD2 2.75Å; R122-D323 PolarHBondContact NH2-OD2 3.37Å |
| 123 | L | 95 | Very high | 94.5 | Very high | 80 Ų | 80 | 37.8 Ų | 37.8 | 42% | 0.419 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 178.4 | 179.2 | 65.8 | 0 | 0 | 0 | 111.7 | E119 R120 T127 | E119-L123 WeakPolarHBondContact O-CB 3.44Å; E119-L123 PolarHBondContact O-N 3.28Å; R120-L123 PolarHBondContact O-N 3.44Å; L123-T127 WeakPolarHBondContact O-CB 3.34Å; L123-T127 PolarHBondContact O-N 2.97Å; L123-T127 PolarHBondContact O-OG1 2.84Å |
| 124 | L | 97.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 177.3 | -73 | 172.5 | 0 | 0 | 0 | 111.6 | I114 R120 G121 R122 L128 L194 A198 R203 | I114-L124 HydrophobicContact CG2-CB 3.82Å; I114-L124 HydrophobicContact CG2-CD1 4.22Å; R120-L124 WeakPolarHBondContact O-CG 3.32Å; R120-L124 PolarHBondContact O-N 3.29Å; G121-L124 PolarHBondContact O-N 2.84Å; R122-L124 PolarHBondContact O-N 3.36Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 PolarHBondContact O-N 3.47Å; L124-L194 HydrophobicContact CD2-CD1 3.71Å; L124-L194 HydrophobicContact CD2-CG 4.21Å; L124-A198 HydrophobicContact CD1-CB 4.01Å; L124-A198 HydrophobicContact CD2-CB 4.37Å; L124-R203 HydrophobicContact CD1-CB 3.97Å; L124-R203 HydrophobicContact CD1-CG 3.7Å |
| 125 | R | 96.3 | Very high | 95 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -48.8 | 178.9 | -80.2 | -167.5 | -58.7 | -84.5 | -2 | 112.8 | I114 G116 G121 R122 L128 A129 V322 | I114-R125 HydrophobicContact CB-CG 3.75Å; I114-R125 HydrophobicContact CD1-CG 4.47Å; I114-R125 HydrophobicContact CG2-CG 3.79Å; I114-R125 PolarHBondContact O-NH1 3.37Å; G116-R125 PolarHBondContact O-NH1 2.88Å; G116-R125 PolarHBondContact O-NH2 2.65Å; G121-R125 PolarHBondContact O-N 3.04Å; G121-R125 VanDerWaalsContact O-N 3.15Å; G121-R125 PolarHBondContact O-NH1 3.35Å; R122-R125 PolarHBondContact O-N 2.99Å; R125-L128 PolarHBondContact O-N 3.17Å; R125-A129 PolarHBondContact O-N 3.46Å; R125-V322 HydrophobicContact CB-CB 4.07Å; R125-V322 HydrophobicContact CB-CG2 4.37Å; R125-V322 WeakPolarHBondContact CD-O 3.37Å; R125-V322 PolarHBondContact NE-O 3.42Å |
| 126 | R | 95.1 | Very high | 95.3 | Very high | 67 Ų | 67 | 35.9 Ų | 35.9 | 25% | 0.253 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 179.4 | -70.3 | -179.9 | 65.3 | 77.8 | 9.5 | 112.2 | R122 A129 R130 Y319 V322 D323 | R122-R126 HydrophobicContact CG-CG 4.33Å; R122-R126 WeakPolarHBondContact O-CB 3.48Å; R122-R126 WeakPolarHBondContact O-CG 3.39Å; R122-R126 PolarHBondContact O-N 3.31Å; R126-A129 PolarHBondContact O-N 3.18Å; R126-R130 VanDerWaalsContact O-CB 3.28Å; R126-R130 WeakPolarHBondContact O-CB 3.32Å; R126-R130 PolarHBondContact O-N 3.17Å; R126-Y319 HydrophobicContact CB-CE1 4.34Å; R126-Y319 HydrophobicContact CG-CD1 4.38Å; R126-V322 HydrophobicContact CG-CG2 4.4Å; R126-D323 WeakPolarHBondContact CD-OD2 3.37Å; R126-D323 IonicContact CZ-OD2 2.59Å; R126-D323 IonicContact NE-OD2 3.72Å; R126-D323 IonicContact NH1-OD2 3.25Å; R126-D323 PolarHBondContact NH1-OD2 3.28Å |
| 127 | T | 96.8 | Very high | 95.7 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 177.3 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | L123 R130 Y131 L194 | L123-T127 WeakPolarHBondContact O-CB 3.34Å; L123-T127 PolarHBondContact O-N 2.97Å; L123-T127 PolarHBondContact O-OG1 2.84Å; T127-R130 PolarHBondContact O-N 3.29Å; T127-Y131 HydrophobicContact CG2-CD1 4.33Å; T127-Y131 HydrophobicContact CG2-CD2 4.14Å; T127-Y131 HydrophobicContact CG2-CE1 3.8Å; T127-Y131 HydrophobicContact CG2-CE2 3.6Å; T127-Y131 HydrophobicContact CG2-CG 4.49Å; T127-Y131 VanDerWaalsContact CG2-CZ 3.41Å; T127-Y131 PolarHBondContact O-N 2.86Å; T127-L194 HydrophobicContact CG2-CD2 3.74Å |
| 128 | L | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.5 | -48.5 | 173.9 | -178.3 | 59.4 | 0 | 0 | 0 | 111.7 | M106 A110 I114 L124 R125 R130 Y131 I132 A191 L194 V195 L213 I217 | M106-L128 HydrophobicContact CE-CD1 3.96Å; M106-L128 HydrophobicContact CE-CD2 3.79Å; M106-L128 HydrophobicContact CE-CG 3.91Å; A110-L128 HydrophobicContact CB-CD2 3.78Å; I114-L128 HydrophobicContact CD1-CD2 3.59Å; L124-L128 WeakPolarHBondContact O-CB 3.31Å; L124-L128 PolarHBondContact O-N 3.47Å; R125-L128 PolarHBondContact O-N 3.17Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.21Å; L128-Y131 PolarHBondContact O-N 3.37Å; L128-I132 HydrophobicContact CD1-CG1 4.34Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 2.82Å; L128-I132 VanDerWaalsContact O-N 3.13Å; L128-A191 HydrophobicContact CD1-CB 3.62Å; L128-L194 HydrophobicContact CB-CD2 3.99Å; L128-V195 HydrophobicContact CD1-CG2 4.14Å; L128-V195 HydrophobicContact CD2-CG2 4.12Å; L128-L213 HydrophobicContact CD2-CD1 4.18Å; L128-L213 HydrophobicContact CD2-CD2 3.82Å; L128-L213 HydrophobicContact CD2-CG 4.23Å; L128-I217 HydrophobicContact CD1-CD1 4.36Å |
| 129 | A | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | M107 R125 R126 I132 N133 Y319 V322 | M107-A129 HydrophobicContact CE-CB 4.32Å; M107-A129 HydrophobicContact SD-CB 3.48Å; M107-A129 WeakPolarHBondContact SD-CB 3.14Å; R125-A129 PolarHBondContact O-N 3.46Å; R126-A129 PolarHBondContact O-N 3.18Å; A129-I132 PolarHBondContact O-N 3.49Å; A129-N133 PolarHBondContact O-N 3.23Å; A129-N133 PolarHBondContact O-ND2 2.95Å; A129-Y319 HydrophobicContact CB-CE1 4.39Å; A129-V322 HydrophobicContact CB-CG1 4.48Å; A129-V322 HydrophobicContact CB-CG2 4.11Å |
| 130 | R | 96.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 18.8 Ų | 18.8 | 11% | 0.109 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.2 | -45.3 | 179.7 | -169.2 | 162.7 | 54 | 77.6 | 2.8 | 112.4 | R126 T127 L128 I132 N133 L134 G161 I162 E167 Y319 | R126-R130 VanDerWaalsContact O-CB 3.28Å; R126-R130 WeakPolarHBondContact O-CB 3.32Å; R126-R130 PolarHBondContact O-N 3.17Å; T127-R130 PolarHBondContact O-N 3.29Å; L128-R130 VanDerWaalsContact C-N 3.27Å; L128-R130 PolarHBondContact O-N 3.21Å; R130-I132 PolarHBondContact O-N 3.44Å; R130-N133 PolarHBondContact O-N 3.43Å; R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 PolarHBondContact O-N 3.13Å; R130-G161 WeakPolarHBondContact CD-O 3.26Å; R130-I162 WeakPolarHBondContact CG-O 3.42Å; R130-E167 IonicContact CZ-OE1 3.13Å; R130-E167 IonicContact CZ-OE2 3.04Å; R130-E167 IonicContact NH1-OE1 2.79Å; R130-E167 PolarHBondContact NH1-OE1 3.4Å; R130-E167 IonicContact NH1-OE2 3.76Å; R130-E167 PolarHBondContact NH1-OE2 3Å; R130-E167 IonicContact NH2-OE1 3.64Å; R130-E167 PolarHBondContact NH2-OE1 3.24Å; R130-E167 IonicContact NH2-OE2 3.14Å; R130-Y319 WeakPolarHBondContact CD-OH 3.47Å |
| 131 | Y | 98.3 | Very high | 96.1 | Very high | 34 Ų | 34 | 16.1 Ų | 16.1 | 13% | 0.133 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -39.7 | 176.5 | -69.6 | -10.7 | 0 | 0 | 0 | 113.4 | T127 L128 L134 C135 E167 P187 W190 A191 L194 | T127-Y131 HydrophobicContact CG2-CD1 4.33Å; T127-Y131 HydrophobicContact CG2-CD2 4.14Å; T127-Y131 HydrophobicContact CG2-CE1 3.8Å; T127-Y131 HydrophobicContact CG2-CE2 3.6Å; T127-Y131 HydrophobicContact CG2-CG 4.49Å; T127-Y131 VanDerWaalsContact CG2-CZ 3.41Å; T127-Y131 PolarHBondContact O-N 2.86Å; L128-Y131 PolarHBondContact O-N 3.37Å; Y131-L134 PolarHBondContact O-N 2.85Å; Y131-C135 PolarHBondContact O-N 2.91Å; Y131-E167 HydrophobicContact CE1-CG 4.44Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.32Å; Y131-P187 WeakPolarHBondContact O-CB 3.13Å; Y131-W190 HydrophobicContact CD1-CE3 4.38Å; Y131-W190 HydrophobicContact CD2-CB 3.72Å; Y131-W190 HydrophobicContact CE1-CE3 4.23Å; Y131-W190 HydrophobicContact CE2-CB 3.6Å; Y131-W190 HydrophobicContact CG-CB 4.4Å; Y131-A191 HydrophobicContact CD2-CB 4.4Å; Y131-L194 HydrophobicContact CD2-CD2 4.32Å; Y131-L194 HydrophobicContact CE2-CD2 4.24Å |
| 132 | I | 98 | Very high | 96 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 176.4 | -61.9 | -68.3 | 0 | 0 | 0 | 110.6 | I103 M106 M107 L128 A129 R130 L134 C135 C136 L188 A191 I217 V220 | I103-I132 HydrophobicContact CB-CG2 4.45Å; I103-I132 HydrophobicContact CG2-CG2 3.91Å; M106-I132 HydrophobicContact CE-CD1 3.99Å; M106-I132 HydrophobicContact CE-CG1 3.98Å; M106-I132 HydrophobicContact CG-CG1 4.37Å; M106-I132 HydrophobicContact CG-CG2 4.44Å; M107-I132 HydrophobicContact CE-CB 3.85Å; M107-I132 HydrophobicContact CE-CG1 4.08Å; M107-I132 HydrophobicContact CE-CG2 3.85Å; L128-I132 HydrophobicContact CD1-CG1 4.34Å; L128-I132 VanDerWaalsContact O-CG1 3.25Å; L128-I132 WeakPolarHBondContact O-CG1 3.41Å; L128-I132 PolarHBondContact O-N 2.82Å; L128-I132 VanDerWaalsContact O-N 3.13Å; A129-I132 PolarHBondContact O-N 3.49Å; R130-I132 PolarHBondContact O-N 3.44Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.78Å; I132-C135 PolarHBondContact O-N 3.34Å; I132-C136 PolarHBondContact O-N 3.28Å; I132-C136 PolarHBondContact O-SG 3.27Å; I132-C136 VanDerWaalsContact O-SG 3.35Å; I132-L188 HydrophobicContact CD1-CD2 3.64Å; I132-A191 HydrophobicContact CD1-CB 4.09Å; I132-I217 HydrophobicContact CD1-CB 4.4Å; I132-I217 HydrophobicContact CD1-CG1 3.93Å; I132-I217 HydrophobicContact CD1-CG2 4.08Å; I132-V220 HydrophobicContact CG2-CG1 4.27Å; I132-V220 HydrophobicContact CG2-CG2 4.18Å |
| 133 | N | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 16.2 Ų | 16.2 | 2% | 0.021 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.1 | -80.3 | -66.8 | 0 | 0 | 0 | 111.8 | I103 A129 R130 C135 C136 V137 N314 V315 S318 | I103-N133 WeakPolarHBondContact CD1-ND2 3.08Å; I103-N133 WeakPolarHBondContact CD1-OD1 3.48Å; A129-N133 PolarHBondContact O-N 3.23Å; A129-N133 PolarHBondContact O-ND2 2.95Å; R130-N133 PolarHBondContact O-N 3.43Å; N133-C135 PolarHBondContact O-N 3.23Å; N133-C136 WeakPolarHBondContact O-CB 3.34Å; N133-C136 PolarHBondContact O-N 2.82Å; N133-C136 VanDerWaalsContact O-N 3.15Å; N133-V137 WeakPolarHBondContact O-CB 3.31Å; N133-V137 VanDerWaalsContact O-CG2 3.29Å; N133-V137 WeakPolarHBondContact O-CG2 3.46Å; N133-V137 PolarHBondContact O-N 3.43Å; N133-N314 WeakPolarHBondContact OD1-CB 3.43Å; N133-V315 HydrophobicContact CB-CG2 4.11Å; N133-V315 PolarHBondContact OD1-N 3.1Å; N133-S318 PolarHBondContact ND2-OG 3.34Å |
| 134 | L | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 179.6 | 176.3 | 61.5 | 0 | 0 | 0 | 111.6 | R130 Y131 I132 C136 V137 I138 L157 I162 M163 P187 W190 | R130-L134 WeakPolarHBondContact O-CB 3.36Å; R130-L134 PolarHBondContact O-N 3.13Å; Y131-L134 PolarHBondContact O-N 2.85Å; I132-L134 VanDerWaalsContact C-N 3.33Å; I132-L134 PolarHBondContact O-N 2.78Å; L134-C136 VanDerWaalsContact C-N 3.33Å; L134-C136 PolarHBondContact O-N 3.46Å; L134-V137 PolarHBondContact O-N 3.05Å; L134-I138 HydrophobicContact CD1-CD1 3.98Å; L134-I138 HydrophobicContact CD1-CG1 4.14Å; L134-I138 HydrophobicContact CG-CD1 3.98Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.13Å; L134-I138 PolarHBondContact O-N 3.49Å; L134-L157 HydrophobicContact CD1-CD1 4.29Å; L134-I162 HydrophobicContact CB-CG2 4.19Å; L134-I162 HydrophobicContact CD1-CG2 3.97Å; L134-M163 HydrophobicContact CD1-CB 4.25Å; L134-M163 HydrophobicContact CD1-CG 4.22Å; L134-M163 HydrophobicContact CD1-SD 3.71Å; L134-M163 HydrophobicContact CD2-CB 4.5Å; L134-M163 HydrophobicContact CD2-CE 3.79Å; L134-M163 HydrophobicContact CD2-CG 3.83Å; L134-M163 HydrophobicContact CD2-SD 3.78Å; L134-M163 HydrophobicContact CG-SD 4.37Å; L134-P187 HydrophobicContact CB-CB 4.39Å; L134-P187 HydrophobicContact CD2-CB 4.08Å; L134-P187 HydrophobicContact CD2-CG 3.87Å; L134-P187 HydrophobicContact CG-CB 4.21Å; L134-P187 HydrophobicContact CG-CG 3.92Å; L134-W190 HydrophobicContact CD2-CZ3 4.32Å |
| 135 | C | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -56.9 | -47.3 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | Y131 I132 N133 V137 I138 V139 Y184 P187 L188 | Y131-C135 PolarHBondContact O-N 2.91Å; I132-C135 PolarHBondContact O-N 3.34Å; N133-C135 PolarHBondContact O-N 3.23Å; C135-V137 VanDerWaalsContact C-N 3.33Å; C135-V137 PolarHBondContact O-N 3.03Å; C135-I138 PolarHBondContact O-N 3.39Å; C135-V139 WeakPolarHBondContact O-CG2 3.32Å; C135-V139 PolarHBondContact O-N 3.32Å; C135-V139 VanDerWaalsContact O-N 3.12Å; C135-Y184 PolarHBondContact SG-O 2.82Å; C135-Y184 VanDerWaalsContact SG-O 3.41Å; C135-P187 HydrophobicContact CB-CB 4.22Å; C135-L188 HydrophobicContact CB-CD1 4.4Å; C135-L188 HydrophobicContact CB-CD2 3.66Å; C135-L188 HydrophobicContact CB-CG 3.7Å; C135-L188 VanDerWaalsContact SG-CG 3.51Å |
| 136 | C | 97.6 | Very high | 94.3 | Very high | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.02 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 178.3 | -66.1 | 0 | 0 | 0 | 0 | 111.1 | P101 I132 N133 L134 V139 L140 | P101-C136 VanDerWaalsContact CB-SG 3.58Å; P101-C136 HydrophobicContact CG-CB 3.99Å; I132-C136 PolarHBondContact O-N 3.28Å; I132-C136 PolarHBondContact O-SG 3.27Å; I132-C136 VanDerWaalsContact O-SG 3.35Å; N133-C136 WeakPolarHBondContact O-CB 3.34Å; N133-C136 PolarHBondContact O-N 2.82Å; N133-C136 VanDerWaalsContact O-N 3.15Å; L134-C136 VanDerWaalsContact C-N 3.33Å; L134-C136 PolarHBondContact O-N 3.46Å; C136-V139 PolarHBondContact O-N 2.75Å; C136-L140 VanDerWaalsContact O-CB 3.27Å; C136-L140 WeakPolarHBondContact O-CB 3.49Å; C136-L140 WeakPolarHBondContact O-CG 3.48Å; C136-L140 PolarHBondContact O-N 2.67Å |
| 137 | V | 96.4 | Very high | 94 | Very high | 2 Ų | 2 | 13.4 Ų | 13.4 | 1% | 0.012 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.1 | -39.2 | -179.2 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | N133 L134 C135 L140 R141 F151 L157 I162 V311 | N133-V137 WeakPolarHBondContact O-CB 3.31Å; N133-V137 VanDerWaalsContact O-CG2 3.29Å; N133-V137 WeakPolarHBondContact O-CG2 3.46Å; N133-V137 PolarHBondContact O-N 3.43Å; L134-V137 PolarHBondContact O-N 3.05Å; C135-V137 VanDerWaalsContact C-N 3.33Å; C135-V137 PolarHBondContact O-N 3.03Å; V137-L140 PolarHBondContact O-N 3.5Å; V137-R141 WeakPolarHBondContact O-CB 3.38Å; V137-R141 PolarHBondContact O-N 2.8Å; V137-F151 HydrophobicContact CG1-CD2 3.99Å; V137-F151 HydrophobicContact CG1-CE2 4.07Å; V137-L157 HydrophobicContact CG1-CD2 3.57Å; V137-I162 HydrophobicContact CG2-CD1 4.36Å; V137-V311 HydrophobicContact CG2-CG1 3.75Å; V137-V311 HydrophobicContact CG2-CG2 4.19Å |
| 138 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -51.2 | 174.5 | -71 | 168.6 | 0 | 0 | 0 | 110.2 | L134 C135 R141 D142 W154 Y171 P187 | L134-I138 HydrophobicContact CD1-CD1 3.98Å; L134-I138 HydrophobicContact CD1-CG1 4.14Å; L134-I138 HydrophobicContact CG-CD1 3.98Å; L134-I138 VanDerWaalsContact O-CG1 3.28Å; L134-I138 WeakPolarHBondContact O-CG1 3.13Å; L134-I138 PolarHBondContact O-N 3.49Å; C135-I138 PolarHBondContact O-N 3.39Å; I138-R141 PolarHBondContact O-N 2.86Å; I138-D142 PolarHBondContact O-N 2.91Å; I138-D142 VanDerWaalsContact O-N 3.15Å; I138-W154 HydrophobicContact CD1-CH2 4.48Å; I138-W154 HydrophobicContact CD1-CZ3 4.14Å; I138-W154 HydrophobicContact CG1-CH2 4.21Å; I138-W154 HydrophobicContact CG1-CZ3 3.89Å; I138-W154 HydrophobicContact CG2-CH2 4.44Å; I138-Y171 HydrophobicContact CD1-CD2 4.47Å; I138-Y171 HydrophobicContact CD1-CE2 3.8Å; I138-P187 HydrophobicContact CD1-CG 3.9Å |
| 139 | V | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.6 | -46.9 | 179.8 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | C135 C136 R141 D142 V143 Y184 V224 I228 | C135-V139 WeakPolarHBondContact O-CG2 3.32Å; C135-V139 PolarHBondContact O-N 3.32Å; C135-V139 VanDerWaalsContact O-N 3.12Å; C136-V139 PolarHBondContact O-N 2.75Å; V139-R141 VanDerWaalsContact C-N 3.32Å; V139-R141 PolarHBondContact O-N 3.49Å; V139-D142 PolarHBondContact O-N 2.79Å; V139-D142 VanDerWaalsContact O-N 3.14Å; V139-V143 HydrophobicContact CG1-CG1 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 2.74Å; V139-V143 PolarHBondContact O-N 3.43Å; V139-Y184 HydrophobicContact CG2-CD2 3.55Å; V139-Y184 HydrophobicContact CG2-CE2 4.47Å; V139-Y184 HydrophobicContact CG2-CG 3.9Å; V139-V224 HydrophobicContact CB-CB 4.35Å; V139-V224 HydrophobicContact CG1-CB 4.21Å; V139-V224 HydrophobicContact CG2-CB 4.11Å; V139-V224 HydrophobicContact CG2-CG2 4.47Å; V139-I228 HydrophobicContact CG1-CD1 4.15Å; V139-I228 HydrophobicContact CG1-CG1 3.7Å; V139-I228 HydrophobicContact CG2-CD1 3.88Å; V139-I228 HydrophobicContact CG2-CG1 4.35Å |
| 140 | L | 94.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 27.2 Ų | 27.2 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | 179.1 | -70.6 | 173.5 | 0 | 0 | 0 | 112.3 | L100 C136 V137 D142 V143 S144 V147 L227 I307 V311 | L100-L140 HydrophobicContact CD2-CD2 4.32Å; C136-L140 VanDerWaalsContact O-CB 3.27Å; C136-L140 WeakPolarHBondContact O-CB 3.49Å; C136-L140 WeakPolarHBondContact O-CG 3.48Å; C136-L140 PolarHBondContact O-N 2.67Å; V137-L140 PolarHBondContact O-N 3.5Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 3.44Å; L140-V143 HydrophobicContact CD2-CG2 4.46Å; L140-V143 PolarHBondContact O-N 3.01Å; L140-S144 WeakPolarHBondContact O-CA 3.37Å; L140-S144 VanDerWaalsContact O-CB 3.23Å; L140-S144 WeakPolarHBondContact O-CB 3.44Å; L140-S144 PolarHBondContact O-N 2.78Å; L140-V147 HydrophobicContact CB-CG1 4.42Å; L140-V147 HydrophobicContact CB-CG2 4.38Å; L140-L227 HydrophobicContact CD2-CD1 4.29Å; L140-I307 HydrophobicContact CB-CG2 4.04Å; L140-I307 HydrophobicContact CD1-CG2 3.82Å; L140-I307 HydrophobicContact CD2-CG2 3.76Å; L140-I307 HydrophobicContact CG-CG2 4.07Å; L140-V311 HydrophobicContact CD1-CG2 3.84Å |
| 141 | R | 91.5 | Very high | 92.3 | Very high | 19 Ų | 19 | 26 Ų | 26 | 7% | 0.072 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 174.2 | 175.8 | -174.4 | 170.9 | -99.1 | 8.4 | 111.9 | V137 I138 V139 V147 K148 F151 P152 | V137-R141 WeakPolarHBondContact O-CB 3.38Å; V137-R141 PolarHBondContact O-N 2.8Å; I138-R141 PolarHBondContact O-N 2.86Å; V139-R141 VanDerWaalsContact C-N 3.32Å; V139-R141 PolarHBondContact O-N 3.49Å; R141-V147 HydrophobicContact CB-CG1 3.94Å; R141-K148 HydrophobicContact CG-CD 3.68Å; R141-K148 VanDerWaalsContact CZ-NZ 3.29Å; R141-K148 VanDerWaalsContact NH1-NZ 3.15Å; R141-K148 WeakPolarHBondContact O-CB 3.42Å; R141-K148 WeakPolarHBondContact O-CD 3.37Å; R141-F151 VanDerWaalsContact CD-O 3.26Å; R141-F151 WeakPolarHBondContact CD-O 3.46Å; R141-F151 PolarHBondContact NE-O 2.64Å; R141-P152 PolarHBondContact NH2-O 3.46Å |
| 142 | D | 89.6 | Confident | 91.8 | Very high | 59 Ų | 59 | 27 Ų | 27 | 32% | 0.316 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -89.9 | -18.1 | -176.2 | -67.8 | -21.8 | 0 | 0 | 0 | 113.4 | I138 V139 L140 K148 Y182 | I138-D142 PolarHBondContact O-N 2.91Å; I138-D142 VanDerWaalsContact O-N 3.15Å; V139-D142 PolarHBondContact O-N 2.79Å; V139-D142 VanDerWaalsContact O-N 3.14Å; L140-D142 VanDerWaalsContact C-N 3.27Å; L140-D142 PolarHBondContact O-N 3.44Å; D142-K148 IonicContact OD1-NZ 2.82Å; D142-K148 PolarHBondContact OD1-NZ 3.19Å; D142-Y182 PolarHBondContact OD2-OH 2.9Å |
| 143 | V | 89.3 | Confident | 91.4 | Very high | 20 Ų | 20 | 30 Ų | 30 | 12% | 0.121 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -102.3 | -17.7 | 174.6 | -53 | 0 | 0 | 0 | 0 | 114.8 | V139 L140 N231 | V139-V143 HydrophobicContact CG1-CG1 4.41Å; V139-V143 WeakPolarHBondContact O-CG2 2.74Å; V139-V143 PolarHBondContact O-N 3.43Å; L140-V143 HydrophobicContact CD2-CG2 4.46Å; L140-V143 PolarHBondContact O-N 3.01Å; V143-N231 HydrophobicContact CB-CB 4.33Å; V143-N231 HydrophobicContact CG1-CB 3.78Å |
| 144 | S | 88.3 | Confident | 91.1 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | trans | -118.9 | 122.8 | -179.2 | 178.4 | 0 | 0 | 0 | 0 | 112 | L140 V146 V147 K148 F298 | L140-S144 WeakPolarHBondContact O-CA 3.37Å; L140-S144 VanDerWaalsContact O-CB 3.23Å; L140-S144 WeakPolarHBondContact O-CB 3.44Å; L140-S144 PolarHBondContact O-N 2.78Å; S144-V146 VanDerWaalsContact C-N 3.28Å; S144-V146 PolarHBondContact O-N 2.98Å; S144-V147 PolarHBondContact O-N 2.88Å; S144-K148 PolarHBondContact O-N 3.44Å; S144-F298 PolarHBondContact OG-O 3.44Å | ||
| 145 | A | 83.4 | Confident | 90.8 | Very high | 54 Ų | 54 | 35.9 Ų | 35.9 | 45% | 0.446 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V147 K148 K149 | A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 2.82Å; A145-K148 WeakPolarHBondContact O-CB 3.22Å; A145-K148 PolarHBondContact O-N 3.38Å; A145-K149 WeakPolarHBondContact O-CG 3.42Å; A145-K149 PolarHBondContact O-N 3.26Å |
| 146 | V | 86.3 | Confident | 90.5 | Very high | 38 Ų | 38 | 39 Ų | 39 | 23% | 0.23 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 179.2 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | S144 R150 G299 E300 N308 | S144-V146 VanDerWaalsContact C-N 3.28Å; S144-V146 PolarHBondContact O-N 2.98Å; V146-R150 PolarHBondContact O-N 2.89Å; V146-G299 WeakPolarHBondContact CG2-O 3.31Å; V146-E300 HydrophobicContact CG2-CG 3.35Å; V146-N308 WeakPolarHBondContact CG1-ND2 3.42Å |
| 147 | V | 87.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.3 | -35.9 | 176 | -175.5 | 0 | 0 | 0 | 0 | 110.7 | L140 R141 S144 A145 K149 R150 F151 I307 | L140-V147 HydrophobicContact CB-CG1 4.42Å; L140-V147 HydrophobicContact CB-CG2 4.38Å; R141-V147 HydrophobicContact CB-CG1 3.94Å; S144-V147 PolarHBondContact O-N 2.88Å; A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 2.82Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 3.14Å; V147-R150 PolarHBondContact O-N 3.45Å; V147-F151 HydrophobicContact CG1-CD2 3.7Å; V147-F151 HydrophobicContact CG1-CE2 4.14Å; V147-F151 PolarHBondContact O-N 3.16Å; V147-I307 HydrophobicContact CG2-CB 3.81Å; V147-I307 HydrophobicContact CG2-CG2 3.33Å |
| 148 | K | 87.8 | Confident | 90 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 36% | 0.357 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.3 | -41 | 173.2 | -164.5 | 68.7 | 165.8 | -153.2 | 0 | 112.3 | R141 D142 S144 A145 R150 F151 P152 | R141-K148 HydrophobicContact CG-CD 3.68Å; R141-K148 VanDerWaalsContact CZ-NZ 3.29Å; R141-K148 VanDerWaalsContact NH1-NZ 3.15Å; R141-K148 WeakPolarHBondContact O-CB 3.42Å; R141-K148 WeakPolarHBondContact O-CD 3.37Å; D142-K148 IonicContact OD1-NZ 2.82Å; D142-K148 PolarHBondContact OD1-NZ 3.19Å; S144-K148 PolarHBondContact O-N 3.44Å; A145-K148 WeakPolarHBondContact O-CB 3.22Å; A145-K148 PolarHBondContact O-N 3.38Å; K148-R150 VanDerWaalsContact C-N 3.31Å; K148-R150 PolarHBondContact O-N 3.15Å; K148-F151 CarbonylContact O-C 3.58Å; K148-F151 VanDerWaalsContact O-C 3.26Å; K148-F151 PolarHBondContact O-N 3.4Å; K148-P152 WeakPolarHBondContact O-CA 3.23Å |
| 149 | K | 87.3 | Confident | 89.7 | Confident | 143 Ų | 143 | 47.7 Ų | 47.7 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -63.5 | -36.9 | 174.6 | -74.9 | 180 | 179.8 | -179.7 | 0 | 111.9 | A145 V147 E300 | A145-K149 WeakPolarHBondContact O-CG 3.42Å; A145-K149 PolarHBondContact O-N 3.26Å; V147-K149 VanDerWaalsContact C-N 3.34Å; V147-K149 PolarHBondContact O-N 3.14Å; K149-E300 WeakPolarHBondContact CD-OE1 3.1Å; K149-E300 WeakPolarHBondContact CE-OE1 2.99Å; K149-E300 IonicContact NZ-OE1 2.82Å; K149-E300 PolarHBondContact NZ-OE1 3.4Å; K149-E300 IonicContact NZ-OE2 2.97Å; K149-E300 PolarHBondContact NZ-OE2 2.96Å |
| 150 | R | 88.5 | Confident | 89.4 | Confident | 80 Ų | 80 | 51.1 Ų | 51.1 | 30% | 0.302 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -72.7 | -40.9 | 177 | -175.9 | 179.1 | 174.9 | 177.2 | 0.7 | 113 | V146 V147 K148 P152 N308 D312 | V146-R150 PolarHBondContact O-N 2.89Å; V147-R150 PolarHBondContact O-N 3.45Å; K148-R150 VanDerWaalsContact C-N 3.31Å; K148-R150 PolarHBondContact O-N 3.15Å; R150-P152 VanDerWaalsContact C-CD 3.42Å; R150-P152 WeakPolarHBondContact O-CD 3.38Å; R150-N308 WeakPolarHBondContact CD-OD1 3.19Å; R150-N308 PolarHBondContact NH1-O 2.99Å; R150-D312 IonicContact CZ-OD1 3.3Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.88Å; R150-D312 IonicContact NH1-OD1 2.78Å; R150-D312 PolarHBondContact NH1-OD1 3.25Å; R150-D312 IonicContact NH1-OD2 3.17Å; R150-D312 PolarHBondContact NH1-OD2 3.13Å; R150-D312 IonicContact NH2-OD1 2.69Å; R150-D312 PolarHBondContact NH2-OD1 2.8Å; R150-D312 IonicContact NH2-OD2 2.72Å |
| 151 | F | 90.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -122.9 | 66.9 | -178.1 | -52.6 | -59.9 | 0 | 0 | 0 | 110.8 | V137 R141 V147 K148 T153 H156 L157 T160 I162 V311 | V137-F151 HydrophobicContact CG1-CD2 3.99Å; V137-F151 HydrophobicContact CG1-CE2 4.07Å; R141-F151 VanDerWaalsContact CD-O 3.26Å; R141-F151 WeakPolarHBondContact CD-O 3.46Å; R141-F151 PolarHBondContact NE-O 2.64Å; V147-F151 HydrophobicContact CG1-CD2 3.7Å; V147-F151 HydrophobicContact CG1-CE2 4.14Å; V147-F151 PolarHBondContact O-N 3.16Å; K148-F151 CarbonylContact O-C 3.58Å; K148-F151 VanDerWaalsContact O-C 3.26Å; K148-F151 PolarHBondContact O-N 3.4Å; F151-T153 VanDerWaalsContact C-N 3.31Å; F151-T153 PolarHBondContact O-N 2.88Å; F151-H156 HydrophobicContact CD1-CB 4.25Å; F151-L157 HydrophobicContact CB-CD2 3.84Å; F151-L157 HydrophobicContact CB-CG 4.43Å; F151-L157 HydrophobicContact CD1-CD2 3.76Å; F151-L157 HydrophobicContact CD2-CD2 4.03Å; F151-L157 HydrophobicContact CE1-CD2 4.28Å; F151-L157 HydrophobicContact CG-CD2 3.61Å; F151-T160 HydrophobicContact CE1-CG2 3.8Å; F151-I162 HydrophobicContact CE1-CD1 4.38Å; F151-I162 HydrophobicContact CZ-CD1 4.04Å; F151-V311 HydrophobicContact CE2-CG1 4.19Å; F151-V311 HydrophobicContact CZ-CG1 4.44Å |
| 152 | P | 86.6 | Confident | 89.1 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | trans | -67.8 | -33.3 | -173.6 | 25.8 | -33.9 | 0 | 0 | 0 | 112.1 | R141 K148 R150 | R141-P152 PolarHBondContact NH2-O 3.46Å; K148-P152 WeakPolarHBondContact O-CA 3.23Å; R150-P152 VanDerWaalsContact C-CD 3.42Å; R150-P152 WeakPolarHBondContact O-CD 3.38Å | ||
| 153 | T | 91 | Very high | 89.3 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -125.2 | 162.6 | -179.9 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | F151 D155 H156 | F151-T153 VanDerWaalsContact C-N 3.31Å; F151-T153 PolarHBondContact O-N 2.88Å; T153-D155 VanDerWaalsContact C-N 3.25Å; T153-D155 PolarHBondContact O-N 3.27Å; T153-H156 WeakPolarHBondContact O-CB 3.38Å; T153-H156 PolarHBondContact O-N 3.26Å; T153-H156 VanDerWaalsContact O-N 3.14Å; T153-H156 PolarHBondContact OG1-CE1 2.97Å; T153-H156 PolarHBondContact OG1-ND1 3.47Å |
| 154 | W | 90.7 | Very high | 89.6 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 20% | 0.201 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.3 | -32 | 176.8 | -58.4 | 103.8 | 0 | 0 | 0 | 112.9 | I138 H156 L157 V158 V168 Y171 L172 | I138-W154 HydrophobicContact CD1-CH2 4.48Å; I138-W154 HydrophobicContact CD1-CZ3 4.14Å; I138-W154 HydrophobicContact CG1-CH2 4.21Å; I138-W154 HydrophobicContact CG1-CZ3 3.89Å; I138-W154 HydrophobicContact CG2-CH2 4.44Å; W154-H156 PolarHBondContact O-N 3.05Å; W154-L157 HydrophobicContact CE3-CD1 3.79Å; W154-L157 HydrophobicContact CZ3-CD1 3.95Å; W154-L157 WeakPolarHBondContact O-CA 3.27Å; W154-L157 WeakPolarHBondContact O-CB 3.18Å; W154-L157 PolarHBondContact O-N 3.1Å; W154-V158 PolarHBondContact O-N 3.27Å; W154-V158 VanDerWaalsContact O-N 3.17Å; W154-V168 HydrophobicContact CB-CG1 3.96Å; W154-Y171 HydrophobicContact CE3-CD1 4.42Å; W154-Y171 HydrophobicContact CE3-CE1 4.45Å; W154-Y171 HydrophobicContact CH2-CD1 4.01Å; W154-Y171 AromaticContact CH2-CE1 3.26Å; W154-Y171 HydrophobicContact CH2-CE1 3.26Å; W154-Y171 AromaticContact CH2-CZ 3.93Å; W154-Y171 HydrophobicContact CZ2-CD1 4.35Å; W154-Y171 AromaticContact CZ2-CE1 3.7Å; W154-Y171 HydrophobicContact CZ2-CE1 3.7Å; W154-Y171 HydrophobicContact CZ3-CD1 4.03Å; W154-Y171 AromaticContact CZ3-CE1 3.68Å; W154-Y171 HydrophobicContact CZ3-CE1 3.68Å; W154-L172 HydrophobicContact CD2-CD2 4.2Å; W154-L172 HydrophobicContact CG-CD1 4.43Å; W154-L172 HydrophobicContact CG-CD2 4.06Å |
| 155 | D | 90.2 | Very high | 89.8 | Confident | 75 Ų | 75 | 57.7 Ų | 57.7 | 40% | 0.401 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -57.5 | -33.9 | 173.5 | 174.6 | 70 | 0 | 0 | 0 | 112.6 | T153 L157 V158 K159 | T153-D155 VanDerWaalsContact C-N 3.25Å; T153-D155 PolarHBondContact O-N 3.27Å; D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 3.48Å; D155-V158 WeakPolarHBondContact O-CB 3.49Å; D155-V158 PolarHBondContact O-N 3.31Å; D155-K159 WeakPolarHBondContact O-CG 2.92Å; D155-K159 PolarHBondContact O-N 2.99Å; D155-K159 IonicContact OD1-NZ 2.64Å; D155-K159 WeakPolarHBondContact OD2-CD 2.95Å; D155-K159 WeakPolarHBondContact OD2-CE 3.39Å; D155-K159 IonicContact OD2-NZ 2.92Å; D155-K159 PolarHBondContact OD2-NZ 3.47Å |
| 156 | H | 92.3 | Very high | 90.4 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.5 | -32.6 | 174.7 | -66.8 | 76.6 | 0 | 0 | 0 | 112.1 | F151 T153 W154 V158 T160 | F151-H156 HydrophobicContact CD1-CB 4.25Å; T153-H156 WeakPolarHBondContact O-CB 3.38Å; T153-H156 PolarHBondContact O-N 3.26Å; T153-H156 VanDerWaalsContact O-N 3.14Å; T153-H156 PolarHBondContact OG1-CE1 2.97Å; T153-H156 PolarHBondContact OG1-ND1 3.47Å; W154-H156 PolarHBondContact O-N 3.05Å; H156-V158 VanDerWaalsContact C-N 3.34Å; H156-T160 WeakPolarHBondContact O-CG2 3.42Å; H156-T160 PolarHBondContact O-N 3.31Å; H156-T160 VanDerWaalsContact O-N 3.14Å; H156-T160 PolarHBondContact O-OG1 2.81Å |
| 157 | L | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.4 | -32.2 | 174.6 | -61.6 | -179.2 | 0 | 0 | 0 | 111.6 | L134 V137 F151 W154 D155 T160 G161 I162 M163 | L134-L157 HydrophobicContact CD1-CD1 4.29Å; V137-L157 HydrophobicContact CG1-CD2 3.57Å; F151-L157 HydrophobicContact CB-CD2 3.84Å; F151-L157 HydrophobicContact CB-CG 4.43Å; F151-L157 HydrophobicContact CD1-CD2 3.76Å; F151-L157 HydrophobicContact CD2-CD2 4.03Å; F151-L157 HydrophobicContact CE1-CD2 4.28Å; F151-L157 HydrophobicContact CG-CD2 3.61Å; W154-L157 HydrophobicContact CE3-CD1 3.79Å; W154-L157 HydrophobicContact CZ3-CD1 3.95Å; W154-L157 WeakPolarHBondContact O-CA 3.27Å; W154-L157 WeakPolarHBondContact O-CB 3.18Å; W154-L157 PolarHBondContact O-N 3.1Å; D155-L157 VanDerWaalsContact C-N 3.3Å; D155-L157 PolarHBondContact O-N 3.48Å; L157-T160 WeakPolarHBondContact CA-OG1 3.5Å; L157-T160 PolarHBondContact O-OG1 2.94Å; L157-T160 VanDerWaalsContact O-OG1 3.11Å; L157-G161 PolarHBondContact O-N 3.36Å; L157-I162 HydrophobicContact CD2-CD1 4.31Å; L157-I162 PolarHBondContact O-N 3.36Å; L157-M163 HydrophobicContact CB-CB 4.32Å; L157-M163 PolarHBondContact O-N 3.39Å |
| 158 | V | 92.5 | Very high | 91.2 | Very high | 30 Ų | 30 | 58.4 Ų | 58.4 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.6 | -51.5 | 172.6 | -177.4 | 0 | 0 | 0 | 0 | 110.9 | W154 D155 H156 T160 G161 M163 E165 V168 | W154-V158 PolarHBondContact O-N 3.27Å; W154-V158 VanDerWaalsContact O-N 3.17Å; D155-V158 WeakPolarHBondContact O-CB 3.49Å; D155-V158 PolarHBondContact O-N 3.31Å; H156-V158 VanDerWaalsContact C-N 3.34Å; V158-T160 PolarHBondContact O-N 2.82Å; V158-G161 WeakPolarHBondContact O-CA 3.25Å; V158-G161 PolarHBondContact O-N 3.16Å; V158-M163 WeakPolarHBondContact CA-O 3.46Å; V158-E165 HydrophobicContact CG1-CG 3.75Å; V158-V168 HydrophobicContact CG2-CB 4.18Å; V158-V168 HydrophobicContact CG2-CG2 3.35Å |
| 159 | K | 88.8 | Confident | 91.6 | Very high | 156 Ų | 156 | 60.7 Ų | 60.7 | 68% | 0.678 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.3 | -31.2 | -179.7 | -75.5 | 173.7 | 175.2 | 162 | 0 | 113.6 | D155 G161 | D155-K159 WeakPolarHBondContact O-CG 2.92Å; D155-K159 PolarHBondContact O-N 2.99Å; D155-K159 IonicContact OD1-NZ 2.64Å; D155-K159 WeakPolarHBondContact OD2-CD 2.95Å; D155-K159 WeakPolarHBondContact OD2-CE 3.39Å; D155-K159 IonicContact OD2-NZ 2.92Å; D155-K159 PolarHBondContact OD2-NZ 3.47Å; K159-G161 VanDerWaalsContact C-N 3.31Å |
| 160 | T | 88.5 | Confident | 92 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -5.5 | 175 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | F151 H156 L157 V158 I162 | F151-T160 HydrophobicContact CE1-CG2 3.8Å; H156-T160 WeakPolarHBondContact O-CG2 3.42Å; H156-T160 PolarHBondContact O-N 3.31Å; H156-T160 VanDerWaalsContact O-N 3.14Å; H156-T160 PolarHBondContact O-OG1 2.81Å; L157-T160 WeakPolarHBondContact CA-OG1 3.5Å; L157-T160 PolarHBondContact O-OG1 2.94Å; L157-T160 VanDerWaalsContact O-OG1 3.11Å; V158-T160 PolarHBondContact O-N 2.82Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 PolarHBondContact O-N 2.81Å |
| 161 | G | 89.6 | Confident | 92.3 | Very high | 40 Ų | 40 | 54.9 Ų | 54.9 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 12.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | R130 L157 V158 K159 M163 | R130-G161 WeakPolarHBondContact CD-O 3.26Å; L157-G161 PolarHBondContact O-N 3.36Å; V158-G161 WeakPolarHBondContact O-CA 3.25Å; V158-G161 PolarHBondContact O-N 3.16Å; K159-G161 VanDerWaalsContact C-N 3.31Å; G161-M163 VanDerWaalsContact C-N 3.27Å |
| 162 | I | 90.9 | Very high | 92.6 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -73.8 | -27.2 | 174.6 | -61.3 | 173.6 | 0 | 0 | 0 | 110 | R130 L134 V137 F151 L157 T160 | R130-I162 WeakPolarHBondContact CG-O 3.42Å; L134-I162 HydrophobicContact CB-CG2 4.19Å; L134-I162 HydrophobicContact CD1-CG2 3.97Å; V137-I162 HydrophobicContact CG2-CD1 4.36Å; F151-I162 HydrophobicContact CE1-CD1 4.38Å; F151-I162 HydrophobicContact CZ-CD1 4.04Å; L157-I162 HydrophobicContact CD2-CD1 4.31Å; L157-I162 PolarHBondContact O-N 3.36Å; T160-I162 VanDerWaalsContact C-N 3.25Å; T160-I162 PolarHBondContact O-N 2.81Å |
| 163 | M | 93.5 | Very high | 93 | Very high | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -134.5 | 149.2 | 176.6 | -151.3 | 161 | -175 | 0 | 0 | 109.9 | L134 L157 V158 G161 E167 V168 Y171 W190 | L134-M163 HydrophobicContact CD1-CB 4.25Å; L134-M163 HydrophobicContact CD1-CG 4.22Å; L134-M163 HydrophobicContact CD1-SD 3.71Å; L134-M163 HydrophobicContact CD2-CB 4.5Å; L134-M163 HydrophobicContact CD2-CE 3.79Å; L134-M163 HydrophobicContact CD2-CG 3.83Å; L134-M163 HydrophobicContact CD2-SD 3.78Å; L134-M163 HydrophobicContact CG-SD 4.37Å; L157-M163 HydrophobicContact CB-CB 4.32Å; L157-M163 PolarHBondContact O-N 3.39Å; V158-M163 WeakPolarHBondContact CA-O 3.46Å; G161-M163 VanDerWaalsContact C-N 3.27Å; M163-E167 VanDerWaalsContact CE-C 3.41Å; M163-E167 HydrophobicContact CE-CB 3.99Å; M163-E167 WeakPolarHBondContact CE-O 3.47Å; M163-E167 HydrophobicContact CG-CB 3.81Å; M163-V168 HydrophobicContact CB-CG2 3.92Å; M163-V168 HydrophobicContact CE-CG2 4.15Å; M163-V168 HydrophobicContact CG-CG2 3.57Å; M163-V168 HydrophobicContact SD-CB 4.34Å; M163-V168 HydrophobicContact SD-CG2 3.35Å; M163-V168 WeakPolarHBondContact SD-CG2 3.15Å; M163-Y171 VanDerWaalsContact CE-CB 3.41Å; M163-Y171 HydrophobicContact CE-CD2 4.3Å; M163-Y171 HydrophobicContact CE-CG 3.88Å; M163-W190 HydrophobicContact CE-CH2 4.08Å; M163-W190 HydrophobicContact CE-CZ3 4.04Å |
| 164 | T | 95.1 | Very high | 93.3 | Very high | 49 Ų | 49 | 60.3 Ų | 60.3 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | trans | -88.2 | 164.4 | 167.8 | 69.2 | 0 | 0 | 0 | 0 | 110.6 | S166 E167 V168 | T164-S166 VanDerWaalsContact C-N 3.32Å; T164-S166 PolarHBondContact O-N 3.42Å; T164-S166 PolarHBondContact OG1-OG 2.82Å; T164-E167 PolarHBondContact N-OE2 3.41Å; T164-E167 PolarHBondContact O-N 3.17Å; T164-E167 WeakPolarHBondContact OG1-CG 3.42Å; T164-E167 PolarHBondContact OG1-N 2.93Å; T164-E167 PolarHBondContact OG1-OE1 3.33Å; T164-E167 PolarHBondContact OG1-OE2 3.11Å; T164-V168 PolarHBondContact O-N 3.32Å | ||
| 165 | E | 93.3 | Very high | 93.4 | Very high | 138 Ų | 138 | 59.6 Ų | 59.6 | 65% | 0.645 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -57.7 | -45 | 174.1 | -67.9 | -178.9 | -179.6 | 0 | 0 | 111.9 | V158 E167 V168 M169 | V158-E165 HydrophobicContact CG1-CG 3.75Å; E165-E167 VanDerWaalsContact C-N 3.31Å; E165-E167 PolarHBondContact O-N 3.23Å; E165-V168 PolarHBondContact O-N 3.35Å; E165-M169 WeakPolarHBondContact O-CG 3.42Å; E165-M169 PolarHBondContact O-N 3.39Å |
| 166 | S | 95.1 | Very high | 93.6 | Very high | 79 Ų | 79 | 63.4 Ų | 63.4 | 55% | 0.552 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.9 | -40.3 | 179.2 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | T164 M169 E170 | T164-S166 VanDerWaalsContact C-N 3.32Å; T164-S166 PolarHBondContact O-N 3.42Å; T164-S166 PolarHBondContact OG1-OG 2.82Å; S166-M169 PolarHBondContact O-N 3.42Å; S166-E170 PolarHBondContact O-N 2.92Å |
| 167 | E | 96.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 5% | 0.051 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.4 | -36.1 | 179.9 | -67.9 | 160.4 | -175.4 | 0 | 0 | 112.2 | R130 Y131 M163 T164 E165 M169 E170 Y171 W190 | R130-E167 IonicContact CZ-OE1 3.13Å; R130-E167 IonicContact CZ-OE2 3.04Å; R130-E167 IonicContact NH1-OE1 2.79Å; R130-E167 PolarHBondContact NH1-OE1 3.4Å; R130-E167 IonicContact NH1-OE2 3.76Å; R130-E167 PolarHBondContact NH1-OE2 3Å; R130-E167 IonicContact NH2-OE1 3.64Å; R130-E167 PolarHBondContact NH2-OE1 3.24Å; R130-E167 IonicContact NH2-OE2 3.14Å; Y131-E167 HydrophobicContact CE1-CG 4.44Å; Y131-E167 WeakPolarHBondContact CE1-OE1 3.32Å; M163-E167 VanDerWaalsContact CE-C 3.41Å; M163-E167 HydrophobicContact CE-CB 3.99Å; M163-E167 WeakPolarHBondContact CE-O 3.47Å; M163-E167 HydrophobicContact CG-CB 3.81Å; T164-E167 PolarHBondContact N-OE2 3.41Å; T164-E167 PolarHBondContact O-N 3.17Å; T164-E167 WeakPolarHBondContact OG1-CG 3.42Å; T164-E167 PolarHBondContact OG1-N 2.93Å; T164-E167 PolarHBondContact OG1-OE1 3.33Å; T164-E167 PolarHBondContact OG1-OE2 3.11Å; E165-E167 VanDerWaalsContact C-N 3.31Å; E165-E167 PolarHBondContact O-N 3.23Å; E167-M169 VanDerWaalsContact C-N 3.29Å; E167-E170 PolarHBondContact O-N 2.96Å; E167-Y171 VanDerWaalsContact O-CB 3.28Å; E167-Y171 WeakPolarHBondContact O-CB 3.5Å; E167-Y171 PolarHBondContact O-N 2.97Å; E167-W190 HydrophobicContact CB-CH2 4.41Å; E167-W190 HydrophobicContact CB-CZ3 4.32Å |
| 168 | V | 95.4 | Very high | 93.9 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 10% | 0.103 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 171.1 | 168.4 | 0 | 0 | 0 | 0 | 110.3 | W154 V158 M163 T164 E165 Y171 L172 | W154-V168 HydrophobicContact CB-CG1 3.96Å; V158-V168 HydrophobicContact CG2-CB 4.18Å; V158-V168 HydrophobicContact CG2-CG2 3.35Å; M163-V168 HydrophobicContact CB-CG2 3.92Å; M163-V168 HydrophobicContact CE-CG2 4.15Å; M163-V168 HydrophobicContact CG-CG2 3.57Å; M163-V168 HydrophobicContact SD-CB 4.34Å; M163-V168 HydrophobicContact SD-CG2 3.35Å; M163-V168 WeakPolarHBondContact SD-CG2 3.15Å; T164-V168 PolarHBondContact O-N 3.32Å; E165-V168 PolarHBondContact O-N 3.35Å; V168-Y171 PolarHBondContact O-N 2.83Å; V168-L172 HydrophobicContact CG1-CD1 3.59Å; V168-L172 HydrophobicContact CG1-CG 4.1Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 2.86Å |
| 169 | M | 95.9 | Very high | 93.9 | Very high | 131 Ų | 131 | 76.6 Ų | 76.6 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60 | -48.3 | 177.4 | -68.6 | 179.1 | -174.2 | 0 | 0 | 111.5 | E165 S166 E167 L172 M173 | E165-M169 WeakPolarHBondContact O-CG 3.42Å; E165-M169 PolarHBondContact O-N 3.39Å; S166-M169 PolarHBondContact O-N 3.42Å; E167-M169 VanDerWaalsContact C-N 3.29Å; M169-L172 PolarHBondContact O-N 3.07Å; M169-M173 VanDerWaalsContact O-CB 3.31Å; M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 PolarHBondContact O-N 3.1Å |
| 170 | E | 95.7 | Very high | 94 | Very high | 95 Ų | 95 | 78.5 Ų | 78.5 | 44% | 0.444 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.3 | -49.4 | 177.9 | -167.8 | 179.3 | 148.7 | 0 | 0 | 111.5 | S166 E167 L172 M173 E174 W190 | S166-E170 PolarHBondContact O-N 2.92Å; E167-E170 PolarHBondContact O-N 2.96Å; E170-L172 PolarHBondContact O-N 2.77Å; E170-M173 WeakPolarHBondContact O-CB 3.27Å; E170-M173 PolarHBondContact O-N 3.01Å; E170-E174 WeakPolarHBondContact O-CG 3.31Å; E170-E174 PolarHBondContact O-N 3.33Å; E170-W190 HydrophobicContact CB-CZ2 4.12Å; E170-W190 HydrophobicContact CG-CZ2 3.89Å; E170-W190 PolarHBondContact OE1-NE1 2.73Å |
| 171 | Y | 96.3 | Very high | 94.2 | Very high | 5 Ų | 5 | 78.3 Ų | 78.3 | 2% | 0.02 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.4 | -174 | -95.1 | 0 | 0 | 0 | 112.4 | I138 W154 M163 E167 V168 M173 E174 C175 M183 L186 P187 W190 | I138-Y171 HydrophobicContact CD1-CD2 4.47Å; I138-Y171 HydrophobicContact CD1-CE2 3.8Å; W154-Y171 HydrophobicContact CE3-CD1 4.42Å; W154-Y171 HydrophobicContact CE3-CE1 4.45Å; W154-Y171 HydrophobicContact CH2-CD1 4.01Å; W154-Y171 AromaticContact CH2-CE1 3.26Å; W154-Y171 HydrophobicContact CH2-CE1 3.26Å; W154-Y171 AromaticContact CH2-CZ 3.93Å; W154-Y171 HydrophobicContact CZ2-CD1 4.35Å; W154-Y171 AromaticContact CZ2-CE1 3.7Å; W154-Y171 HydrophobicContact CZ2-CE1 3.7Å; W154-Y171 HydrophobicContact CZ3-CD1 4.03Å; W154-Y171 AromaticContact CZ3-CE1 3.68Å; W154-Y171 HydrophobicContact CZ3-CE1 3.68Å; M163-Y171 VanDerWaalsContact CE-CB 3.41Å; M163-Y171 HydrophobicContact CE-CD2 4.3Å; M163-Y171 HydrophobicContact CE-CG 3.88Å; E167-Y171 VanDerWaalsContact O-CB 3.28Å; E167-Y171 WeakPolarHBondContact O-CB 3.5Å; E167-Y171 PolarHBondContact O-N 2.97Å; V168-Y171 PolarHBondContact O-N 2.83Å; Y171-M173 VanDerWaalsContact C-N 3.35Å; Y171-E174 PolarHBondContact O-N 2.89Å; Y171-C175 WeakPolarHBondContact CE1-SG 3.42Å; Y171-C175 WeakPolarHBondContact O-CB 3.5Å; Y171-C175 PolarHBondContact O-N 3.24Å; Y171-C175 PolarHBondContact O-SG 2.89Å; Y171-M183 HydrophobicContact CE2-CB 4.32Å; Y171-M183 VanDerWaalsContact CE2-O 3.24Å; Y171-M183 WeakPolarHBondContact CE2-O 3.22Å; Y171-M183 PolarHBondContact OH-O 3.38Å; Y171-L186 HydrophobicContact CD2-CB 4.33Å; Y171-L186 HydrophobicContact CD2-CD2 3.86Å; Y171-L186 HydrophobicContact CD2-CG 4.42Å; Y171-L186 HydrophobicContact CE2-CB 4.26Å; Y171-L186 HydrophobicContact CE2-CD2 4.44Å; Y171-P187 HydrophobicContact CE2-CG 4.44Å; Y171-W190 HydrophobicContact CD2-CH2 4.3Å |
| 172 | L | 95.6 | Very high | 94.4 | Very high | 54 Ų | 54 | 80.6 Ų | 80.6 | 28% | 0.283 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.3 | -32.1 | -179.3 | -68.3 | 179.9 | 0 | 0 | 0 | 112.5 | W154 V168 M169 E170 K176 | W154-L172 HydrophobicContact CD2-CD2 4.2Å; W154-L172 HydrophobicContact CG-CD1 4.43Å; W154-L172 HydrophobicContact CG-CD2 4.06Å; V168-L172 HydrophobicContact CG1-CD1 3.59Å; V168-L172 HydrophobicContact CG1-CG 4.1Å; V168-L172 VanDerWaalsContact O-CB 3.32Å; V168-L172 WeakPolarHBondContact O-CB 3.47Å; V168-L172 WeakPolarHBondContact O-CG 3.47Å; V168-L172 PolarHBondContact O-N 2.86Å; M169-L172 PolarHBondContact O-N 3.07Å; E170-L172 PolarHBondContact O-N 2.77Å; L172-K176 WeakPolarHBondContact O-CB 3.45Å; L172-K176 VanDerWaalsContact O-CG 3.26Å; L172-K176 WeakPolarHBondContact O-CG 3.24Å; L172-K176 PolarHBondContact O-N 2.79Å |
| 173 | M | 96.6 | Very high | 94.6 | Very high | 128 Ų | 128 | 80.8 Ų | 80.8 | 63% | 0.631 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.2 | -49 | 172.6 | 179 | 170.8 | 171.3 | 0 | 0 | 110.7 | M169 E170 Y171 C175 K176 L177 | M169-M173 VanDerWaalsContact O-CB 3.31Å; M169-M173 WeakPolarHBondContact O-CB 3.38Å; M169-M173 PolarHBondContact O-N 3.1Å; E170-M173 WeakPolarHBondContact O-CB 3.27Å; E170-M173 PolarHBondContact O-N 3.01Å; Y171-M173 VanDerWaalsContact C-N 3.35Å; M173-C175 PolarHBondContact O-N 3Å; M173-K176 WeakPolarHBondContact O-CB 3.49Å; M173-K176 PolarHBondContact O-N 3.36Å; M173-K176 VanDerWaalsContact O-N 3.12Å; M173-L177 PolarHBondContact O-N 2.67Å |
| 174 | E | 95.4 | Very high | 94.6 | Very high | 53 Ų | 53 | 82.4 Ų | 82.4 | 25% | 0.248 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63 | -41.5 | 177.4 | -67.6 | -56.1 | 142.9 | 0 | 0 | 112.4 | E170 Y171 K176 L177 H178 L186 | E170-E174 WeakPolarHBondContact O-CG 3.31Å; E170-E174 PolarHBondContact O-N 3.33Å; Y171-E174 PolarHBondContact O-N 2.89Å; E174-K176 VanDerWaalsContact C-N 3.28Å; E174-K176 PolarHBondContact O-N 2.88Å; E174-L177 PolarHBondContact O-N 2.76Å; E174-H178 PolarHBondContact O-N 3.36Å; E174-H178 IonicContact OE2-CD2 3.32Å; E174-H178 PolarHBondContact OE2-CD2 3.39Å; E174-H178 IonicContact OE2-NE2 2.8Å; E174-L186 HydrophobicContact CB-CD2 3.76Å; E174-L186 HydrophobicContact CG-CD2 3.88Å |
| 175 | C | 93.2 | Very high | 94.6 | Very high | 38 Ų | 38 | 83.7 Ų | 83.7 | 26% | 0.257 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60 | -36.8 | 172.9 | -73.6 | 0 | 0 | 0 | 0 | 112.8 | Y171 M173 | Y171-C175 WeakPolarHBondContact CE1-SG 3.42Å; Y171-C175 WeakPolarHBondContact O-CB 3.5Å; Y171-C175 PolarHBondContact O-N 3.24Å; Y171-C175 PolarHBondContact O-SG 2.89Å; M173-C175 PolarHBondContact O-N 3Å |
| 176 | K | 94.3 | Very high | 94.7 | Very high | 155 Ų | 155 | 78 Ų | 78 | 67% | 0.674 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72.7 | -35.3 | 177.1 | -77.3 | 173.8 | -178.1 | 179.9 | 0 | 112.2 | L172 M173 E174 K179 | L172-K176 WeakPolarHBondContact O-CB 3.45Å; L172-K176 VanDerWaalsContact O-CG 3.26Å; L172-K176 WeakPolarHBondContact O-CG 3.24Å; L172-K176 PolarHBondContact O-N 2.79Å; M173-K176 WeakPolarHBondContact O-CB 3.49Å; M173-K176 PolarHBondContact O-N 3.36Å; M173-K176 VanDerWaalsContact O-N 3.12Å; E174-K176 VanDerWaalsContact C-N 3.28Å; E174-K176 PolarHBondContact O-N 2.88Å; K176-K179 VanDerWaalsContact O-CE 3.3Å; K176-K179 WeakPolarHBondContact O-CE 3.27Å; K176-K179 VanDerWaalsContact O-CG 3.3Å; K176-K179 WeakPolarHBondContact O-CG 3.43Å |
| 177 | L | 96.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 74.3 Ų | 74.3 | 60% | 0.597 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -71.1 | -40.8 | 178.4 | -175.9 | 60.5 | 0 | 0 | 0 | 111.3 | M173 E174 | M173-L177 PolarHBondContact O-N 2.67Å; E174-L177 PolarHBondContact O-N 2.76Å |
| 178 | H | 94.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 74 Ų | 74 | 38% | 0.375 | 35% | 0.353 | S | S | . | . | trans | -115.6 | 60.8 | -174.6 | -61.7 | -67.6 | 0 | 0 | 0 | 112.2 | E174 E180 V181 M183 | E174-H178 PolarHBondContact O-N 3.36Å; E174-H178 IonicContact OE2-CD2 3.32Å; E174-H178 PolarHBondContact OE2-CD2 3.39Å; E174-H178 IonicContact OE2-NE2 2.8Å; H178-E180 PolarHBondContact O-N 3.06Å; H178-V181 HydrophobicContact CB-CB 4.19Å; H178-V181 HydrophobicContact CB-CG2 4.29Å; H178-V181 PolarHBondContact O-N 3.3Å; H178-M183 HydrophobicContact CB-CE 3.26Å; H178-M183 WeakPolarHBondContact CD2-CE 3.49Å; H178-M183 VanDerWaalsContact CG-CE 3.46Å | ||
| 179 | K | 90.9 | Very high | 95 | Very high | 179 Ų | 179 | 77.3 Ų | 77.3 | 78% | 0.778 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.9 | -173.4 | -61.3 | -179.5 | -177.2 | 172.2 | 0 | 115 | K176 V181 | K176-K179 VanDerWaalsContact O-CE 3.3Å; K176-K179 WeakPolarHBondContact O-CE 3.27Å; K176-K179 VanDerWaalsContact O-CG 3.3Å; K176-K179 WeakPolarHBondContact O-CG 3.43Å; K179-V181 VanDerWaalsContact C-N 3.34Å |
| 180 | E | 92.2 | Very high | 95.1 | Very high | 195 Ų | 195 | 72.1 Ų | 72.1 | 91% | 0.911 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -8.6 | -179.8 | -61.4 | 179.1 | 177.6 | 0 | 0 | 112.9 | H178 | H178-E180 PolarHBondContact O-N 3.06Š|
| 181 | V | 92.9 | Very high | 95.3 | Very high | 69 Ų | 69 | 67.6 Ų | 67.6 | 42% | 0.418 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -109.4 | 125 | -175 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | H178 K179 M183 F185 | H178-V181 HydrophobicContact CB-CB 4.19Å; H178-V181 HydrophobicContact CB-CG2 4.29Å; H178-V181 PolarHBondContact O-N 3.3Å; K179-V181 VanDerWaalsContact C-N 3.34Å; V181-M183 HydrophobicContact CB-CE 4.22Å; V181-M183 HydrophobicContact CG1-CE 4.12Å; V181-M183 HydrophobicContact CG1-SD 4.03Å; V181-M183 PolarHBondContact O-N 2.84Å; V181-F185 HydrophobicContact CG1-CE1 3.8Å; V181-F185 HydrophobicContact CG1-CZ 4.34Å |
| 182 | Y | 92.9 | Very high | 95.3 | Very high | 89 Ų | 89 | 68.1 Ų | 68.1 | 35% | 0.349 | 32% | 0.323 | S | S | . | . | trans | -74 | 98.4 | 170.9 | -178.5 | -146.9 | 0 | 0 | 0 | 110.4 | D142 Y184 I228 | D142-Y182 PolarHBondContact OD2-OH 2.9Å; Y182-Y184 AromaticContact CD1-CD1 3.41Å; Y182-Y184 HydrophobicContact CD1-CD1 3.41Å; Y182-Y184 VanDerWaalsContact CD1-CD1 3.41Å; Y182-Y184 HydrophobicContact CD1-CE1 4.2Å; Y182-Y184 HydrophobicContact CD1-CG 4.13Å; Y182-Y184 AromaticContact CE1-CD1 3.65Å; Y182-Y184 HydrophobicContact CE1-CD1 3.65Å; Y182-Y184 AromaticContact CE1-CG 3.91Å; Y182-Y184 HydrophobicContact CE1-CG 3.91Å; Y182-Y184 AromaticContact CG-CD1 3.96Å; Y182-Y184 HydrophobicContact CG-CD1 3.96Å; Y182-Y184 WeakPolarHBondContact O-CD1 3.2Å; Y182-Y184 PolarHBondContact O-N 3.45Å; Y182-I228 HydrophobicContact CD1-CD1 4.31Å; Y182-I228 HydrophobicContact CE1-CD1 3.77Å; Y182-I228 HydrophobicContact CE1-CG1 4.15Å; Y182-I228 HydrophobicContact CE1-CG2 4.49Å | ||
| 183 | M | 94.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 69.6 Ų | 69.6 | 6% | 0.064 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -74.2 | 23.7 | -172.8 | -73.3 | -63.7 | -170.4 | 0 | 0 | 115.3 | Y171 H178 V181 F185 L186 | Y171-M183 HydrophobicContact CE2-CB 4.32Å; Y171-M183 VanDerWaalsContact CE2-O 3.24Å; Y171-M183 WeakPolarHBondContact CE2-O 3.22Å; Y171-M183 PolarHBondContact OH-O 3.38Å; H178-M183 HydrophobicContact CB-CE 3.26Å; H178-M183 WeakPolarHBondContact CD2-CE 3.49Å; H178-M183 VanDerWaalsContact CG-CE 3.46Å; V181-M183 HydrophobicContact CB-CE 4.22Å; V181-M183 HydrophobicContact CG1-CE 4.12Å; V181-M183 HydrophobicContact CG1-SD 4.03Å; V181-M183 PolarHBondContact O-N 2.84Å; M183-F185 PolarHBondContact O-N 3.25Å; M183-F185 VanDerWaalsContact O-N 3.12Å; M183-F185 HydrophobicContact SD-CE1 3.81Å; M183-F185 HydrophobicContact SD-CZ 3.65Å; M183-L186 WeakPolarHBondContact O-CB 3.49Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 VanDerWaalsContact O-N 3.16Å |
| 184 | Y | 93.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 15% | 0.145 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -58.1 | -27.8 | 178 | 80.6 | -86.1 | 0 | 0 | 0 | 113.3 | C135 V139 Y182 L186 P187 V224 I228 | C135-Y184 PolarHBondContact SG-O 2.82Å; C135-Y184 VanDerWaalsContact SG-O 3.41Å; V139-Y184 HydrophobicContact CG2-CD2 3.55Å; V139-Y184 HydrophobicContact CG2-CE2 4.47Å; V139-Y184 HydrophobicContact CG2-CG 3.9Å; Y182-Y184 AromaticContact CD1-CD1 3.41Å; Y182-Y184 HydrophobicContact CD1-CD1 3.41Å; Y182-Y184 VanDerWaalsContact CD1-CD1 3.41Å; Y182-Y184 HydrophobicContact CD1-CE1 4.2Å; Y182-Y184 HydrophobicContact CD1-CG 4.13Å; Y182-Y184 AromaticContact CE1-CD1 3.65Å; Y182-Y184 HydrophobicContact CE1-CD1 3.65Å; Y182-Y184 AromaticContact CE1-CG 3.91Å; Y182-Y184 HydrophobicContact CE1-CG 3.91Å; Y182-Y184 AromaticContact CG-CD1 3.96Å; Y182-Y184 HydrophobicContact CG-CD1 3.96Å; Y182-Y184 WeakPolarHBondContact O-CD1 3.2Å; Y182-Y184 PolarHBondContact O-N 3.45Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; Y184-P187 WeakPolarHBondContact O-CD 3.5Å; Y184-V224 HydrophobicContact CD2-CG2 4.24Å; Y184-V224 HydrophobicContact CE2-CG2 3.82Å; Y184-I228 HydrophobicContact CD1-CD1 3.64Å; Y184-I228 HydrophobicContact CD2-CD1 3.69Å; Y184-I228 HydrophobicContact CE1-CD1 3.57Å; Y184-I228 HydrophobicContact CE2-CD1 3.63Å; Y184-I228 HydrophobicContact CG-CD1 3.7Å |
| 185 | F | 94.8 | Very high | 95.6 | Very high | 77 Ų | 77 | 62.1 Ų | 62.1 | 34% | 0.338 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -79.6 | -14.5 | -176.6 | 70 | -91.9 | 0 | 0 | 0 | 113.2 | V181 M183 L188 Q189 | V181-F185 HydrophobicContact CG1-CE1 3.8Å; V181-F185 HydrophobicContact CG1-CZ 4.34Å; M183-F185 PolarHBondContact O-N 3.25Å; M183-F185 VanDerWaalsContact O-N 3.12Å; M183-F185 HydrophobicContact SD-CE1 3.81Å; M183-F185 HydrophobicContact SD-CZ 3.65Å; F185-L188 WeakPolarHBondContact O-CA 3.44Å; F185-L188 WeakPolarHBondContact O-CB 3.22Å; F185-L188 PolarHBondContact O-N 2.99Å; F185-Q189 PolarHBondContact O-N 3.45Å |
| 186 | L | 97.2 | Very high | 95.7 | Very high | 19 Ų | 19 | 62.6 Ų | 62.6 | 10% | 0.099 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -56.8 | -43.9 | -173.4 | 177.8 | 60.4 | 0 | 0 | 0 | 112.9 | Y171 E174 M183 Y184 L188 Q189 W190 | Y171-L186 HydrophobicContact CD2-CB 4.33Å; Y171-L186 HydrophobicContact CD2-CD2 3.86Å; Y171-L186 HydrophobicContact CD2-CG 4.42Å; Y171-L186 HydrophobicContact CE2-CB 4.26Å; Y171-L186 HydrophobicContact CE2-CD2 4.44Å; E174-L186 HydrophobicContact CB-CD2 3.76Å; E174-L186 HydrophobicContact CG-CD2 3.88Å; M183-L186 WeakPolarHBondContact O-CB 3.49Å; M183-L186 PolarHBondContact O-N 3.2Å; M183-L186 VanDerWaalsContact O-N 3.16Å; Y184-L186 VanDerWaalsContact C-N 3.34Å; L186-L188 VanDerWaalsContact C-N 3.28Å; L186-L188 PolarHBondContact O-N 3.39Å; L186-Q189 CarbonylContact O-C 3.26Å; L186-Q189 WeakPolarHBondContact O-CA 3.3Å; L186-Q189 WeakPolarHBondContact O-CB 3.43Å; L186-Q189 PolarHBondContact O-N 2.85Å; L186-W190 HydrophobicContact CD1-CZ2 4.31Å; L186-W190 HydrophobicContact CD2-CH2 4.3Å; L186-W190 HydrophobicContact CD2-CZ2 3.67Å; L186-W190 HydrophobicContact CG-CD2 4.23Å; L186-W190 HydrophobicContact CG-CH2 4.36Å; L186-W190 HydrophobicContact CG-CZ2 3.71Å; L186-W190 PolarHBondContact O-N 3.31Å |
| 187 | P | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -32.4 | 172.7 | -24.6 | 35.1 | 0 | 0 | 0 | 114.2 | Y131 L134 C135 I138 Y171 Y184 Q189 W190 A191 | Y131-P187 WeakPolarHBondContact O-CB 3.13Å; L134-P187 HydrophobicContact CB-CB 4.39Å; L134-P187 HydrophobicContact CD2-CB 4.08Å; L134-P187 HydrophobicContact CD2-CG 3.87Å; L134-P187 HydrophobicContact CG-CB 4.21Å; L134-P187 HydrophobicContact CG-CG 3.92Å; C135-P187 HydrophobicContact CB-CB 4.22Å; I138-P187 HydrophobicContact CD1-CG 3.9Å; Y171-P187 HydrophobicContact CE2-CG 4.44Å; Y184-P187 WeakPolarHBondContact O-CD 3.5Å; P187-Q189 VanDerWaalsContact C-N 3.34Å; P187-W190 HydrophobicContact CB-CE3 4.14Å; P187-W190 HydrophobicContact CG-CE3 4.3Å; P187-W190 HydrophobicContact CG-CZ3 4.28Å; P187-W190 PolarHBondContact O-N 2.89Å; P187-A191 WeakPolarHBondContact O-CB 3.23Å; P187-A191 PolarHBondContact O-N 3.38Å |
| 188 | L | 97.2 | Very high | 95.9 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -70.5 | -33.6 | 173 | -61 | -175 | 0 | 0 | 0 | 111.6 | I132 C135 F185 L186 A191 C192 I217 R221 | I132-L188 HydrophobicContact CD1-CD2 3.64Å; C135-L188 HydrophobicContact CB-CD1 4.4Å; C135-L188 HydrophobicContact CB-CD2 3.66Å; C135-L188 HydrophobicContact CB-CG 3.7Å; C135-L188 VanDerWaalsContact SG-CG 3.51Å; F185-L188 WeakPolarHBondContact O-CA 3.44Å; F185-L188 WeakPolarHBondContact O-CB 3.22Å; F185-L188 PolarHBondContact O-N 2.99Å; L186-L188 VanDerWaalsContact C-N 3.28Å; L186-L188 PolarHBondContact O-N 3.39Å; L188-A191 WeakPolarHBondContact O-CB 3.34Å; L188-A191 PolarHBondContact O-N 3.26Å; L188-C192 PolarHBondContact O-N 3.4Å; L188-C192 PolarHBondContact O-SG 3.39Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; L188-I217 HydrophobicContact CB-CG2 4.19Å; L188-I217 HydrophobicContact CD2-CG2 4.14Å; L188-R221 HydrophobicContact CD1-CB 3.66Å; L188-R221 HydrophobicContact CD1-CG 3.99Å |
| 189 | Q | 97.2 | Very high | 95.9 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66.5 | -43 | 172.8 | -172.1 | 58.2 | 45.5 | 0 | 0 | 111.2 | F185 L186 P187 A191 C192 N193 | F185-Q189 PolarHBondContact O-N 3.45Å; L186-Q189 CarbonylContact O-C 3.26Å; L186-Q189 WeakPolarHBondContact O-CA 3.3Å; L186-Q189 WeakPolarHBondContact O-CB 3.43Å; L186-Q189 PolarHBondContact O-N 2.85Å; P187-Q189 VanDerWaalsContact C-N 3.34Å; Q189-A191 VanDerWaalsContact C-N 3.28Å; Q189-A191 PolarHBondContact O-N 3.2Å; Q189-C192 WeakPolarHBondContact O-CB 3.48Å; Q189-C192 PolarHBondContact O-N 3.05Å; Q189-N193 PolarHBondContact NE2-OD1 3.4Å; Q189-N193 VanDerWaalsContact O-CG 3.26Å; Q189-N193 PolarHBondContact O-N 3.18Å; Q189-N193 PolarHBondContact O-OD1 3.26Å |
| 190 | W | 98.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.08 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -40.4 | 171.1 | -63.2 | -31.3 | 0 | 0 | 0 | 111.8 | Y131 L134 M163 E167 E170 Y171 L186 P187 N193 L194 | Y131-W190 HydrophobicContact CD1-CE3 4.38Å; Y131-W190 HydrophobicContact CD2-CB 3.72Å; Y131-W190 HydrophobicContact CE1-CE3 4.23Å; Y131-W190 HydrophobicContact CE2-CB 3.6Å; Y131-W190 HydrophobicContact CG-CB 4.4Å; L134-W190 HydrophobicContact CD2-CZ3 4.32Å; M163-W190 HydrophobicContact CE-CH2 4.08Å; M163-W190 HydrophobicContact CE-CZ3 4.04Å; E167-W190 HydrophobicContact CB-CH2 4.41Å; E167-W190 HydrophobicContact CB-CZ3 4.32Å; E170-W190 HydrophobicContact CB-CZ2 4.12Å; E170-W190 HydrophobicContact CG-CZ2 3.89Å; E170-W190 PolarHBondContact OE1-NE1 2.73Å; Y171-W190 HydrophobicContact CD2-CH2 4.3Å; L186-W190 HydrophobicContact CD1-CZ2 4.31Å; L186-W190 HydrophobicContact CD2-CH2 4.3Å; L186-W190 HydrophobicContact CD2-CZ2 3.67Å; L186-W190 HydrophobicContact CG-CD2 4.23Å; L186-W190 HydrophobicContact CG-CH2 4.36Å; L186-W190 HydrophobicContact CG-CZ2 3.71Å; L186-W190 PolarHBondContact O-N 3.31Å; P187-W190 HydrophobicContact CB-CE3 4.14Å; P187-W190 HydrophobicContact CG-CE3 4.3Å; P187-W190 HydrophobicContact CG-CZ3 4.28Å; P187-W190 PolarHBondContact O-N 2.89Å; W190-N193 PolarHBondContact O-N 3.32Å; W190-L194 VanDerWaalsContact O-CB 3.27Å; W190-L194 WeakPolarHBondContact O-CB 3.49Å; W190-L194 PolarHBondContact O-N 2.85Å |
| 191 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L128 Y131 I132 P187 L188 Q189 N193 L194 V195 I217 | L128-A191 HydrophobicContact CD1-CB 3.62Å; Y131-A191 HydrophobicContact CD2-CB 4.4Å; I132-A191 HydrophobicContact CD1-CB 4.09Å; P187-A191 WeakPolarHBondContact O-CB 3.23Å; P187-A191 PolarHBondContact O-N 3.38Å; L188-A191 WeakPolarHBondContact O-CB 3.34Å; L188-A191 PolarHBondContact O-N 3.26Å; Q189-A191 VanDerWaalsContact C-N 3.28Å; Q189-A191 PolarHBondContact O-N 3.2Å; A191-N193 PolarHBondContact O-N 2.99Å; A191-L194 PolarHBondContact O-N 3.4Å; A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 3.17Å; A191-I217 HydrophobicContact CB-CD1 4.07Å |
| 192 | C | 97.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 11% | 0.108 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 174.3 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | L188 Q189 L194 V195 V196 | L188-C192 PolarHBondContact O-N 3.4Å; L188-C192 PolarHBondContact O-SG 3.39Å; L188-C192 VanDerWaalsContact O-SG 3.37Å; Q189-C192 WeakPolarHBondContact O-CB 3.48Å; Q189-C192 PolarHBondContact O-N 3.05Å; C192-L194 VanDerWaalsContact C-N 3.33Å; C192-L194 PolarHBondContact O-N 2.86Å; C192-V195 WeakPolarHBondContact O-CB 3.31Å; C192-V195 PolarHBondContact O-N 3.47Å; C192-V196 WeakPolarHBondContact O-CG2 3.14Å; C192-V196 PolarHBondContact O-N 3.38Å |
| 193 | N | 97.9 | Very high | 96.5 | Very high | 85 Ų | 85 | 50.8 Ų | 50.8 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 178.5 | -67.6 | -9.3 | 0 | 0 | 0 | 111.6 | Q189 W190 A191 V195 V196 K197 | Q189-N193 PolarHBondContact NE2-OD1 3.4Å; Q189-N193 VanDerWaalsContact O-CG 3.26Å; Q189-N193 PolarHBondContact O-N 3.18Å; Q189-N193 PolarHBondContact O-OD1 3.26Å; W190-N193 PolarHBondContact O-N 3.32Å; A191-N193 PolarHBondContact O-N 2.99Å; N193-V195 VanDerWaalsContact C-N 3.33Å; N193-V196 PolarHBondContact O-N 3.14Å; N193-K197 WeakPolarHBondContact O-CB 3.28Å; N193-K197 PolarHBondContact O-N 2.86Å |
| 194 | L | 97.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -38.6 | 176 | -171.3 | 69.6 | 0 | 0 | 0 | 111.6 | L124 T127 L128 Y131 W190 A191 C192 K197 A198 | L124-L194 HydrophobicContact CD2-CD1 3.71Å; L124-L194 HydrophobicContact CD2-CG 4.21Å; T127-L194 HydrophobicContact CG2-CD2 3.74Å; L128-L194 HydrophobicContact CB-CD2 3.99Å; Y131-L194 HydrophobicContact CD2-CD2 4.32Å; Y131-L194 HydrophobicContact CE2-CD2 4.24Å; W190-L194 VanDerWaalsContact O-CB 3.27Å; W190-L194 WeakPolarHBondContact O-CB 3.49Å; W190-L194 PolarHBondContact O-N 2.85Å; A191-L194 PolarHBondContact O-N 3.4Å; C192-L194 VanDerWaalsContact C-N 3.33Å; C192-L194 PolarHBondContact O-N 2.86Å; L194-K197 PolarHBondContact O-N 2.69Å; L194-A198 WeakPolarHBondContact O-CB 3.17Å; L194-A198 PolarHBondContact O-N 2.9Å |
| 195 | V | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 174.5 | 167.4 | 0 | 0 | 0 | 0 | 111.3 | L128 A191 C192 N193 K197 A198 R199 I204 M210 L213 M214 I217 | L128-V195 HydrophobicContact CD1-CG2 4.14Å; L128-V195 HydrophobicContact CD2-CG2 4.12Å; A191-V195 WeakPolarHBondContact O-CG2 3.45Å; A191-V195 PolarHBondContact O-N 3.17Å; C192-V195 WeakPolarHBondContact O-CB 3.31Å; C192-V195 PolarHBondContact O-N 3.47Å; N193-V195 VanDerWaalsContact C-N 3.33Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.84Å; V195-A198 PolarHBondContact O-N 3.42Å; V195-R199 PolarHBondContact O-N 3.34Å; V195-I204 HydrophobicContact CG1-CD1 3.94Å; V195-M210 HydrophobicContact CG1-CG 3.55Å; V195-L213 HydrophobicContact CB-CD2 4.38Å; V195-L213 HydrophobicContact CG1-CB 4.4Å; V195-L213 HydrophobicContact CG1-CD2 4.05Å; V195-L213 HydrophobicContact CG1-CG 4.48Å; V195-L213 HydrophobicContact CG2-CD2 3.45Å; V195-L213 VanDerWaalsContact CG2-CD2 3.45Å; V195-L213 HydrophobicContact CG2-CG 3.88Å; V195-M214 HydrophobicContact CG1-CE 4.32Å; V195-M214 HydrophobicContact CG1-CG 4.28Å; V195-I217 HydrophobicContact CG2-CD1 4.06Å |
| 196 | V | 96.8 | Very high | 96 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 30% | 0.297 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.3 | -41.4 | 173.9 | 174.4 | 0 | 0 | 0 | 0 | 111 | C192 N193 R199 K200 M210 M214 | C192-V196 WeakPolarHBondContact O-CG2 3.14Å; C192-V196 PolarHBondContact O-N 3.38Å; N193-V196 PolarHBondContact O-N 3.14Å; V196-R199 PolarHBondContact O-N 3.23Å; V196-K200 HydrophobicContact CG1-CD 4.49Å; V196-K200 WeakPolarHBondContact O-CG 3.31Å; V196-K200 PolarHBondContact O-N 3.4Å; V196-M210 HydrophobicContact CG2-SD 4.4Å; V196-M214 HydrophobicContact CG2-CE 3.43Å; V196-M214 VanDerWaalsContact CG2-CE 3.43Å |
| 197 | K | 96.3 | Very high | 95.7 | Very high | 108 Ų | 108 | 52.6 Ų | 52.6 | 47% | 0.47 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.3 | -45.8 | 176.4 | -173.6 | 175.1 | -176.7 | 176.2 | 0 | 111.6 | N193 L194 V195 R199 K200 E201 | N193-K197 WeakPolarHBondContact O-CB 3.28Å; N193-K197 PolarHBondContact O-N 2.86Å; L194-K197 PolarHBondContact O-N 2.69Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.84Å; K197-R199 PolarHBondContact O-N 2.72Å; K197-K200 PolarHBondContact O-N 3.31Å; K197-K200 VanDerWaalsContact O-N 3.15Å; K197-E201 WeakPolarHBondContact CE-OE1 3.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.3Å; K197-E201 WeakPolarHBondContact O-CB 3.37Å; K197-E201 WeakPolarHBondContact O-CG 3.34Å; K197-E201 PolarHBondContact O-N 2.94Å |
| 198 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -35.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L124 L194 V195 E201 E202 R203 I204 | L124-A198 HydrophobicContact CD1-CB 4.01Å; L124-A198 HydrophobicContact CD2-CB 4.37Å; L194-A198 WeakPolarHBondContact O-CB 3.17Å; L194-A198 PolarHBondContact O-N 2.9Å; V195-A198 PolarHBondContact O-N 3.42Å; A198-E201 PolarHBondContact O-N 2.98Å; A198-E202 PolarHBondContact O-N 3.22Å; A198-R203 HydrophobicContact CB-CB 4.38Å; A198-R203 WeakPolarHBondContact O-CA 3.19Å; A198-R203 WeakPolarHBondContact O-CB 3.49Å; A198-R203 PolarHBondContact O-N 2.92Å; A198-I204 HydrophobicContact CB-CD1 3.98Å; A198-I204 HydrophobicContact CB-CG1 4.07Å; A198-I204 PolarHBondContact O-N 3.32Å |
| 199 | R | 96 | Very high | 95 | Very high | 70 Ų | 70 | 55 Ų | 55 | 26% | 0.264 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 172.9 | -179.5 | 57.7 | -179.5 | 135.4 | 6.3 | 112.5 | V195 V196 K197 E201 E202 I204 D205 D207 M210 | V195-R199 PolarHBondContact O-N 3.34Å; V196-R199 PolarHBondContact O-N 3.23Å; K197-R199 PolarHBondContact O-N 2.72Å; R199-E201 VanDerWaalsContact C-N 3.26Å; R199-E201 PolarHBondContact O-N 2.82Å; R199-E202 PolarHBondContact O-N 3.21Å; R199-I204 HydrophobicContact CB-CB 4.3Å; R199-I204 HydrophobicContact CB-CD1 4.5Å; R199-I204 WeakPolarHBondContact CD-O 3.11Å; R199-I204 PolarHBondContact NH1-O 2.95Å; R199-D205 PolarHBondContact NH1-O 3.19Å; R199-D205 VanDerWaalsContact NH1-O 3.07Å; R199-D207 IonicContact CZ-OD1 2.96Å; R199-D207 VanDerWaalsContact CZ-OD1 3.3Å; R199-D207 IonicContact NE-OD1 3.3Å; R199-D207 PolarHBondContact NE-OD1 3.4Å; R199-D207 IonicContact NH2-OD1 3.93Å; R199-D207 PolarHBondContact NH2-OD1 3.47Å; R199-M210 HydrophobicContact CB-CG 4.37Å; R199-M210 HydrophobicContact CB-SD 3.73Å; R199-M210 HydrophobicContact CG-SD 3.8Å |
| 200 | K | 95.9 | Very high | 94.8 | Very high | 170 Ų | 170 | 52.3 Ų | 52.3 | 74% | 0.739 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.1 | -32.4 | 174.8 | -70.9 | 179.2 | 178.2 | -175.9 | 0 | 112.9 | V196 K197 E202 | V196-K200 HydrophobicContact CG1-CD 4.49Å; V196-K200 WeakPolarHBondContact O-CG 3.31Å; V196-K200 PolarHBondContact O-N 3.4Å; K197-K200 PolarHBondContact O-N 3.31Å; K197-K200 VanDerWaalsContact O-N 3.15Å; K200-E202 PolarHBondContact O-N 2.85Å |
| 201 | E | 95.5 | Very high | 94.6 | Very high | 62 Ų | 62 | 54.4 Ų | 54.4 | 29% | 0.29 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 8.4 | 173.7 | -68.9 | 176.3 | -165.5 | 0 | 0 | 113 | R120 K197 A198 R199 R203 | R120-E201 IonicContact CZ-OE1 2.66Å; R120-E201 IonicContact CZ-OE2 3.32Å; R120-E201 IonicContact NE-OE1 3.32Å; R120-E201 IonicContact NE-OE2 2.82Å; R120-E201 PolarHBondContact NE-OE2 3.29Å; R120-E201 IonicContact NH2-OE1 3.72Å; R120-E201 PolarHBondContact NH2-OE1 3.14Å; R120-E201 IonicContact NH2-OE2 3.04Å; R120-E201 PolarHBondContact NH2-OE2 2.93Å; K197-E201 WeakPolarHBondContact CE-OE1 3.2Å; K197-E201 WeakPolarHBondContact CG-OE1 3.3Å; K197-E201 WeakPolarHBondContact O-CB 3.37Å; K197-E201 WeakPolarHBondContact O-CG 3.34Å; K197-E201 PolarHBondContact O-N 2.94Å; A198-E201 PolarHBondContact O-N 2.98Å; R199-E201 VanDerWaalsContact C-N 3.26Å; R199-E201 PolarHBondContact O-N 2.82Å; E201-R203 HydrophobicContact CB-CG 4.01Å; E201-R203 PolarHBondContact O-N 2.89Å |
| 202 | E | 95.3 | Very high | 94.2 | Very high | 165 Ų | 165 | 55.8 Ų | 55.8 | 77% | 0.771 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 20.5 | -178.9 | -57 | -177.7 | 167.4 | 0 | 0 | 114 | A198 R199 K200 I204 | A198-E202 PolarHBondContact O-N 3.22Å; R199-E202 PolarHBondContact O-N 3.21Å; K200-E202 PolarHBondContact O-N 2.85Å; E202-I204 VanDerWaalsContact C-N 3.33Å |
| 203 | R | 95.1 | Very high | 94 | Very high | 58 Ų | 58 | 55 Ų | 55 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | trans | -80.3 | -19.7 | 173.8 | -58.4 | -56 | -171.1 | 137.8 | -0.6 | 112.4 | H115 D118 L124 A198 E201 | H115-R203 WeakPolarHBondContact CB-O 3.33Å; H115-R203 PolarHBondContact CD2-O 3.07Å; H115-R203 PolarHBondContact N-O 3.01Å; D118-R203 IonicContact OD1-CZ 3.47Å; D118-R203 IonicContact OD1-NH1 3.52Å; D118-R203 PolarHBondContact OD1-NH1 2.68Å; D118-R203 IonicContact OD1-NH2 2.68Å; D118-R203 IonicContact OD2-CZ 3.52Å; D118-R203 IonicContact OD2-NH1 3.56Å; D118-R203 PolarHBondContact OD2-NH1 2.92Å; D118-R203 IonicContact OD2-NH2 3.55Å; D118-R203 PolarHBondContact OD2-NH2 2.77Å; L124-R203 HydrophobicContact CD1-CB 3.97Å; L124-R203 HydrophobicContact CD1-CG 3.7Å; A198-R203 HydrophobicContact CB-CB 4.38Å; A198-R203 WeakPolarHBondContact O-CA 3.19Å; A198-R203 WeakPolarHBondContact O-CB 3.49Å; A198-R203 PolarHBondContact O-N 2.92Å; E201-R203 HydrophobicContact CB-CG 4.01Å; E201-R203 PolarHBondContact O-N 2.89Å | ||
| 204 | I | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -107 | 121.6 | 166.6 | -57.2 | 176.9 | 0 | 0 | 0 | 106.6 | I114 V195 A198 R199 E202 S206 M209 M210 L213 | I114-I204 HydrophobicContact CG1-CD1 4.33Å; I114-I204 HydrophobicContact CG1-CG1 4.17Å; V195-I204 HydrophobicContact CG1-CD1 3.94Å; A198-I204 HydrophobicContact CB-CD1 3.98Å; A198-I204 HydrophobicContact CB-CG1 4.07Å; A198-I204 PolarHBondContact O-N 3.32Å; R199-I204 HydrophobicContact CB-CB 4.3Å; R199-I204 HydrophobicContact CB-CD1 4.5Å; R199-I204 WeakPolarHBondContact CD-O 3.11Å; R199-I204 PolarHBondContact NH1-O 2.95Å; E202-I204 VanDerWaalsContact C-N 3.33Å; I204-S206 WeakPolarHBondContact CG2-O 3.25Å; I204-M209 HydrophobicContact CG2-CB 3.82Å; I204-M210 HydrophobicContact CG2-CB 4.25Å; I204-L213 HydrophobicContact CD1-CD2 4.3Å |
| 205 | D | 87.5 | Confident | 93.7 | Very high | 78 Ų | 78 | 56.4 Ų | 56.4 | 42% | 0.417 | 27% | 0.27 | S | S | . | . | trans | -67.8 | -40.5 | -173 | 39 | 1.8 | 0 | 0 | 0 | 113.4 | H115 R199 | H115-D205 IonicContact CD2-OD2 3.83Å; H115-D205 IonicContact CE1-OD2 3.7Å; H115-D205 IonicContact NE2-OD1 3.74Å; H115-D205 IonicContact NE2-OD2 3.34Å; H115-D205 PolarHBondContact NE2-OD2 2.93Å; R199-D205 PolarHBondContact NH1-O 3.19Å; R199-D205 VanDerWaalsContact NH1-O 3.07Å | ||
| 206 | S | 88.8 | Confident | 93.5 | Very high | 16 Ų | 16 | 56.9 Ų | 56.9 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -139.1 | 153.5 | 179.2 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | I204 L208 M209 M210 D581 | I204-S206 WeakPolarHBondContact CG2-O 3.25Å; S206-L208 PolarHBondContact O-N 3.41Å; S206-M209 WeakPolarHBondContact O-CB 3.34Å; S206-M209 PolarHBondContact O-N 3.34Å; S206-M210 PolarHBondContact O-N 2.64Å; S206-M210 VanDerWaalsContact O-N 3.16Å; S206-D581 VanDerWaalsContact CB-OD2 3.24Å; S206-D581 WeakPolarHBondContact CB-OD2 3.4Å; S206-D581 PolarHBondContact OG-OD2 3.08Å | ||
| 207 | D | 91.2 | Very high | 93.4 | Very high | 91 Ų | 91 | 54.5 Ų | 54.5 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61 | -29.7 | 178.3 | -63 | -13.4 | 0 | 0 | 0 | 111.5 | R199 M209 M210 V211 | R199-D207 IonicContact CZ-OD1 2.96Å; R199-D207 VanDerWaalsContact CZ-OD1 3.3Å; R199-D207 IonicContact NE-OD1 3.3Å; R199-D207 PolarHBondContact NE-OD1 3.4Å; R199-D207 IonicContact NH2-OD1 3.93Å; R199-D207 PolarHBondContact NH2-OD1 3.47Å; D207-M209 VanDerWaalsContact C-N 3.33Å; D207-M209 PolarHBondContact O-N 3.38Å; D207-M210 WeakPolarHBondContact O-CB 3.33Å; D207-M210 PolarHBondContact O-N 2.82Å; D207-V211 WeakPolarHBondContact O-CG2 3.38Å; D207-V211 PolarHBondContact O-N 2.67Å |
| 208 | L | 90.5 | Very high | 93.4 | Very high | 50 Ų | 50 | 52.5 Ų | 52.5 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 173.6 | -177.2 | 60.4 | 0 | 0 | 0 | 111.6 | S206 K212 D581 K585 | S206-L208 PolarHBondContact O-N 3.41Å; L208-K212 WeakPolarHBondContact O-CB 3.12Å; L208-K212 WeakPolarHBondContact O-CG 3.39Å; L208-K212 PolarHBondContact O-N 3.42Å; L208-K212 VanDerWaalsContact O-N 3.07Å; L208-D581 HydrophobicContact CD2-CB 4.1Å; L208-K585 HydrophobicContact CD1-CD 3.71Å; L208-K585 HydrophobicContact CD2-CB 4.42Å; L208-K585 HydrophobicContact CD2-CD 3.79Å; L208-K585 HydrophobicContact CG-CD 3.84Å |
| 209 | M | 88.9 | Confident | 93.3 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 177.8 | -63.5 | -57.1 | -66.6 | 0 | 0 | 111.2 | I112 S113 I204 S206 D207 K212 L213 Y584 | I112-M209 HydrophobicContact CD1-CE 4.34Å; I112-M209 HydrophobicContact CG1-CE 4.29Å; S113-M209 VanDerWaalsContact OG-CE 3.22Å; S113-M209 WeakPolarHBondContact OG-CE 3.31Å; I204-M209 HydrophobicContact CG2-CB 3.82Å; S206-M209 WeakPolarHBondContact O-CB 3.34Å; S206-M209 PolarHBondContact O-N 3.34Å; D207-M209 VanDerWaalsContact C-N 3.33Å; D207-M209 PolarHBondContact O-N 3.38Å; M209-K212 PolarHBondContact O-N 3.48Å; M209-L213 PolarHBondContact O-N 3.28Å; M209-Y584 HydrophobicContact CE-CD1 4.43Å; M209-Y584 HydrophobicContact CE-CE1 3.63Å; M209-Y584 HydrophobicContact SD-CD1 4.06Å; M209-Y584 HydrophobicContact SD-CE1 3.84Å |
| 210 | M | 93.9 | Very high | 93.3 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 16% | 0.158 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -53.6 | 173.3 | -172.8 | -172.9 | 64.1 | 0 | 0 | 111.8 | V195 V196 R199 I204 S206 D207 K212 L213 M214 | V195-M210 HydrophobicContact CG1-CG 3.55Å; V196-M210 HydrophobicContact CG2-SD 4.4Å; R199-M210 HydrophobicContact CB-CG 4.37Å; R199-M210 HydrophobicContact CB-SD 3.73Å; R199-M210 HydrophobicContact CG-SD 3.8Å; I204-M210 HydrophobicContact CG2-CB 4.25Å; S206-M210 PolarHBondContact O-N 2.64Å; S206-M210 VanDerWaalsContact O-N 3.16Å; D207-M210 WeakPolarHBondContact O-CB 3.33Å; D207-M210 PolarHBondContact O-N 2.82Å; M210-K212 PolarHBondContact O-N 3.26Å; M210-L213 WeakPolarHBondContact O-CB 3.11Å; M210-L213 PolarHBondContact O-N 2.8Å; M210-L213 VanDerWaalsContact O-N 3.11Å; M210-M214 HydrophobicContact CE-CE 4.35Å; M210-M214 HydrophobicContact CG-CE 4.04Å; M210-M214 WeakPolarHBondContact O-CG 3.37Å; M210-M214 PolarHBondContact O-N 3.4Å; M210-M214 HydrophobicContact SD-CE 4.04Å |
| 211 | V | 93.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 51.8 Ų | 51.8 | 39% | 0.394 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -38.1 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | D207 M214 Q215 | D207-V211 WeakPolarHBondContact O-CG2 3.38Å; D207-V211 PolarHBondContact O-N 2.67Å; V211-M214 PolarHBondContact O-N 3.44Å; V211-Q215 WeakPolarHBondContact O-CG 3.4Å; V211-Q215 PolarHBondContact O-N 2.83Å |
| 212 | K | 89.1 | Confident | 93.3 | Very high | 28 Ų | 28 | 52.5 Ų | 52.5 | 12% | 0.122 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 178 | -73.9 | -73 | 140.9 | -176 | 0 | 112.5 | R109 L208 M209 M210 Q215 E216 K585 | R109-K212 VanDerWaalsContact CD-O 3.27Å; R109-K212 WeakPolarHBondContact CD-O 3.32Å; L208-K212 WeakPolarHBondContact O-CB 3.12Å; L208-K212 WeakPolarHBondContact O-CG 3.39Å; L208-K212 PolarHBondContact O-N 3.42Å; L208-K212 VanDerWaalsContact O-N 3.07Å; M209-K212 PolarHBondContact O-N 3.48Å; M210-K212 PolarHBondContact O-N 3.26Å; K212-Q215 PolarHBondContact O-N 3.35Å; K212-E216 PolarHBondContact O-N 3.2Å; K212-K585 HydrophobicContact CD-CD 4.14Å; K212-K585 HydrophobicContact CD-CG 4.41Å; K212-K585 HydrophobicContact CG-CD 4.16Å; K212-K585 HydrophobicContact CG-CG 4.49Å |
| 213 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -44.9 | 174.1 | -165.8 | 58.1 | 0 | 0 | 0 | 110.3 | M106 R109 A110 I114 L128 V195 I204 M209 M210 Q215 E216 I217 | M106-L213 HydrophobicContact CE-CD1 3.62Å; M106-L213 HydrophobicContact CE-CG 4.17Å; M106-L213 HydrophobicContact SD-CD1 3.87Å; R109-L213 HydrophobicContact CB-CD1 4.31Å; R109-L213 HydrophobicContact CG-CD1 4.22Å; A110-L213 HydrophobicContact CB-CD1 4.12Å; I114-L213 HydrophobicContact CD1-CD2 4.04Å; I114-L213 HydrophobicContact CG1-CD2 4.16Å; L128-L213 HydrophobicContact CD2-CD1 4.18Å; L128-L213 HydrophobicContact CD2-CD2 3.82Å; L128-L213 HydrophobicContact CD2-CG 4.23Å; V195-L213 HydrophobicContact CB-CD2 4.38Å; V195-L213 HydrophobicContact CG1-CB 4.4Å; V195-L213 HydrophobicContact CG1-CD2 4.05Å; V195-L213 HydrophobicContact CG1-CG 4.48Å; V195-L213 HydrophobicContact CG2-CD2 3.45Å; V195-L213 VanDerWaalsContact CG2-CD2 3.45Å; V195-L213 HydrophobicContact CG2-CG 3.88Å; I204-L213 HydrophobicContact CD1-CD2 4.3Å; M209-L213 PolarHBondContact O-N 3.28Å; M210-L213 WeakPolarHBondContact O-CB 3.11Å; M210-L213 PolarHBondContact O-N 2.8Å; M210-L213 VanDerWaalsContact O-N 3.11Å; L213-Q215 VanDerWaalsContact C-N 3.3Å; L213-Q215 PolarHBondContact O-N 3.18Å; L213-E216 PolarHBondContact O-N 2.8Å; L213-E216 VanDerWaalsContact O-N 3.13Å; L213-I217 WeakPolarHBondContact O-CG1 3.26Å; L213-I217 PolarHBondContact O-N 3.29Å; L213-I217 VanDerWaalsContact O-N 3.09Å |
| 214 | M | 94.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 25% | 0.246 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -39.6 | 173.2 | -69.2 | -178.7 | 174.5 | 0 | 0 | 112.7 | V195 V196 M210 V211 E216 I217 M218 | V195-M214 HydrophobicContact CG1-CE 4.32Å; V195-M214 HydrophobicContact CG1-CG 4.28Å; V196-M214 HydrophobicContact CG2-CE 3.43Å; V196-M214 VanDerWaalsContact CG2-CE 3.43Å; M210-M214 HydrophobicContact CE-CE 4.35Å; M210-M214 HydrophobicContact CG-CE 4.04Å; M210-M214 WeakPolarHBondContact O-CG 3.37Å; M210-M214 PolarHBondContact O-N 3.4Å; M210-M214 HydrophobicContact SD-CE 4.04Å; V211-M214 PolarHBondContact O-N 3.44Å; M214-E216 VanDerWaalsContact C-N 3.35Å; M214-E216 PolarHBondContact O-N 2.9Å; M214-I217 WeakPolarHBondContact O-CB 3.48Å; M214-I217 PolarHBondContact O-N 2.86Å; M214-M218 WeakPolarHBondContact O-CG 3.43Å; M214-M218 PolarHBondContact O-N 3.42Å |
| 215 | Q | 94.6 | Very high | 93.3 | Very high | 88 Ų | 88 | 44.8 Ų | 44.8 | 41% | 0.411 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.9 | -37.6 | 176.3 | -76.7 | 178.3 | -9.1 | 0 | 0 | 113 | V211 K212 L213 M218 K219 | V211-Q215 WeakPolarHBondContact O-CG 3.4Å; V211-Q215 PolarHBondContact O-N 2.83Å; K212-Q215 PolarHBondContact O-N 3.35Å; L213-Q215 VanDerWaalsContact C-N 3.3Å; L213-Q215 PolarHBondContact O-N 3.18Å; Q215-M218 PolarHBondContact O-N 3.48Å; Q215-K219 WeakPolarHBondContact O-CG 3.27Å; Q215-K219 PolarHBondContact O-N 3.26Å |
| 216 | E | 93.1 | Very high | 93.6 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69.5 | -37.4 | 174.5 | -64.9 | -60.3 | 147.9 | 0 | 0 | 111.8 | M106 R109 K212 L213 M214 M218 K219 V220 | M106-E216 HydrophobicContact CB-CB 4.07Å; M106-E216 HydrophobicContact CG-CB 4.3Å; M106-E216 HydrophobicContact SD-CB 3.33Å; M106-E216 WeakPolarHBondContact SD-CB 3.29Å; M106-E216 HydrophobicContact SD-CG 4.43Å; R109-E216 HydrophobicContact CB-CG 4.31Å; R109-E216 VanDerWaalsContact CD-CG 3.49Å; R109-E216 IonicContact CZ-OE1 3.09Å; R109-E216 IonicContact NE-OE1 2.95Å; R109-E216 PolarHBondContact NE-OE1 3.41Å; R109-E216 IonicContact NH2-OE1 3.98Å; R109-E216 PolarHBondContact NH2-OE1 3.34Å; K212-E216 PolarHBondContact O-N 3.2Å; L213-E216 PolarHBondContact O-N 2.8Å; L213-E216 VanDerWaalsContact O-N 3.13Å; M214-E216 VanDerWaalsContact C-N 3.35Å; M214-E216 PolarHBondContact O-N 2.9Å; E216-M218 VanDerWaalsContact C-N 3.28Å; E216-M218 PolarHBondContact O-N 3.1Å; E216-K219 VanDerWaalsContact CD-NZ 3.35Å; E216-K219 WeakPolarHBondContact O-CB 3.17Å; E216-K219 PolarHBondContact O-N 2.98Å; E216-K219 IonicContact OE1-NZ 2.66Å; E216-K219 PolarHBondContact OE1-NZ 3.47Å; E216-K219 WeakPolarHBondContact OE2-CD 3.25Å; E216-K219 IonicContact OE2-NZ 3.7Å; E216-K219 PolarHBondContact OE2-NZ 3.44Å; E216-V220 PolarHBondContact O-N 2.88Å; E216-V220 VanDerWaalsContact O-N 3.14Å |
| 217 | I | 96.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -44.5 | 170.7 | -58.7 | 175.8 | 0 | 0 | 0 | 110 | M106 L128 I132 L188 A191 V195 L213 M214 K219 V220 R221 | M106-I217 HydrophobicContact CE-CD1 4.12Å; M106-I217 HydrophobicContact CE-CG1 3.47Å; M106-I217 VanDerWaalsContact CE-CG1 3.47Å; M106-I217 HydrophobicContact SD-CG1 3.99Å; L128-I217 HydrophobicContact CD1-CD1 4.36Å; I132-I217 HydrophobicContact CD1-CB 4.4Å; I132-I217 HydrophobicContact CD1-CG1 3.93Å; I132-I217 HydrophobicContact CD1-CG2 4.08Å; L188-I217 HydrophobicContact CB-CG2 4.19Å; L188-I217 HydrophobicContact CD2-CG2 4.14Å; A191-I217 HydrophobicContact CB-CD1 4.07Å; V195-I217 HydrophobicContact CG2-CD1 4.06Å; L213-I217 WeakPolarHBondContact O-CG1 3.26Å; L213-I217 PolarHBondContact O-N 3.29Å; L213-I217 VanDerWaalsContact O-N 3.09Å; M214-I217 WeakPolarHBondContact O-CB 3.48Å; M214-I217 PolarHBondContact O-N 2.86Å; I217-K219 VanDerWaalsContact C-N 3.34Å; I217-K219 PolarHBondContact O-N 3.02Å; I217-V220 PolarHBondContact O-N 3.25Å; I217-R221 PolarHBondContact O-N 3.06Å |
| 218 | M | 95.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 40.1 Ų | 40.1 | 32% | 0.32 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.1 | -31.4 | 178.7 | -69.1 | -56.9 | 101.2 | 0 | 0 | 113.4 | M214 Q215 E216 R221 N222 | M214-M218 WeakPolarHBondContact O-CG 3.43Å; M214-M218 PolarHBondContact O-N 3.42Å; Q215-M218 PolarHBondContact O-N 3.48Å; E216-M218 VanDerWaalsContact C-N 3.28Å; E216-M218 PolarHBondContact O-N 3.1Å; M218-R221 HydrophobicContact CE-CB 4.49Å; M218-R221 WeakPolarHBondContact O-CB 3.23Å; M218-R221 PolarHBondContact O-N 3.27Å; M218-N222 VanDerWaalsContact O-CG 3.23Å; M218-N222 PolarHBondContact O-N 3.09Å; M218-N222 PolarHBondContact O-ND2 3.22Å |
| 219 | K | 95.1 | Very high | 93.8 | Very high | 112 Ų | 112 | 39.8 Ų | 39.8 | 49% | 0.487 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.4 | -44.9 | 171.6 | -72.3 | 173.4 | -173.5 | 172.9 | 0 | 111.2 | Q215 E216 I217 R221 N222 S223 | Q215-K219 WeakPolarHBondContact O-CG 3.27Å; Q215-K219 PolarHBondContact O-N 3.26Å; E216-K219 VanDerWaalsContact CD-NZ 3.35Å; E216-K219 WeakPolarHBondContact O-CB 3.17Å; E216-K219 PolarHBondContact O-N 2.98Å; E216-K219 IonicContact OE1-NZ 2.66Å; E216-K219 PolarHBondContact OE1-NZ 3.47Å; E216-K219 WeakPolarHBondContact OE2-CD 3.25Å; E216-K219 IonicContact OE2-NZ 3.7Å; E216-K219 PolarHBondContact OE2-NZ 3.44Å; I217-K219 VanDerWaalsContact C-N 3.34Å; I217-K219 PolarHBondContact O-N 3.02Å; K219-R221 VanDerWaalsContact C-N 3.33Å; K219-R221 PolarHBondContact O-N 3.42Å; K219-N222 PolarHBondContact O-N 3.4Å; K219-S223 PolarHBondContact O-N 3.22Å; K219-S223 PolarHBondContact O-OG 3.02Å |
| 220 | V | 95.8 | Very high | 93.8 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.9 | -46.5 | 174.5 | 177.5 | 0 | 0 | 0 | 0 | 110.1 | I132 E216 I217 N222 S223 V224 | I132-V220 HydrophobicContact CG2-CG1 4.27Å; I132-V220 HydrophobicContact CG2-CG2 4.18Å; E216-V220 PolarHBondContact O-N 2.88Å; E216-V220 VanDerWaalsContact O-N 3.14Å; I217-V220 PolarHBondContact O-N 3.25Å; V220-N222 VanDerWaalsContact C-N 3.31Å; V220-N222 PolarHBondContact O-N 3.45Å; V220-S223 WeakPolarHBondContact O-CB 3.12Å; V220-S223 PolarHBondContact O-N 3.17Å; V220-S223 VanDerWaalsContact O-N 3.17Å; V220-V224 HydrophobicContact CG1-CG1 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.22Å; V220-V224 PolarHBondContact O-N 3.26Å |
| 221 | R | 96.1 | Very high | 93.4 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53.2 | -47.7 | 175.3 | -169 | -89.2 | -68.4 | 179.6 | -4 | 111.9 | L188 I217 M218 K219 V224 A225 | L188-R221 HydrophobicContact CD1-CB 3.66Å; L188-R221 HydrophobicContact CD1-CG 3.99Å; I217-R221 PolarHBondContact O-N 3.06Å; M218-R221 HydrophobicContact CE-CB 4.49Å; M218-R221 WeakPolarHBondContact O-CB 3.23Å; M218-R221 PolarHBondContact O-N 3.27Å; K219-R221 VanDerWaalsContact C-N 3.33Å; K219-R221 PolarHBondContact O-N 3.42Å; R221-V224 VanDerWaalsContact O-CG2 3.32Å; R221-V224 WeakPolarHBondContact O-CG2 3.32Å; R221-V224 PolarHBondContact O-N 2.89Å; R221-A225 WeakPolarHBondContact O-CB 3.31Å; R221-A225 PolarHBondContact O-N 3.35Å |
| 222 | N | 95.6 | Very high | 93.1 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 41% | 0.412 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 179.9 | -70.5 | -18.2 | 0 | 0 | 0 | 112.1 | M218 K219 V220 T226 | M218-N222 VanDerWaalsContact O-CG 3.23Å; M218-N222 PolarHBondContact O-N 3.09Å; M218-N222 PolarHBondContact O-ND2 3.22Å; K219-N222 PolarHBondContact O-N 3.4Å; V220-N222 VanDerWaalsContact C-N 3.31Å; V220-N222 PolarHBondContact O-N 3.45Å; N222-T226 WeakPolarHBondContact O-CB 3.08Å; N222-T226 PolarHBondContact O-N 2.82Å; N222-T226 PolarHBondContact O-OG1 3.05Å |
| 223 | S | 95.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 56 Ų | 56 | 25% | 0.252 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59 | -52.7 | 175.1 | -75.4 | 0 | 0 | 0 | 0 | 111.6 | S99 K219 V220 T226 L227 | S99-S223 WeakPolarHBondContact O-CB 3.27Å; K219-S223 PolarHBondContact O-N 3.22Å; K219-S223 PolarHBondContact O-OG 3.02Å; V220-S223 WeakPolarHBondContact O-CB 3.12Å; V220-S223 PolarHBondContact O-N 3.17Å; V220-S223 VanDerWaalsContact O-N 3.17Å; S223-T226 WeakPolarHBondContact O-CB 3.38Å; S223-T226 PolarHBondContact O-N 3.29Å; S223-L227 PolarHBondContact O-N 2.84Å; S223-L227 VanDerWaalsContact O-N 3.12Å |
| 224 | V | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69 | -35.9 | -179.3 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | P101 V139 Y184 V220 R221 T226 L227 I228 | P101-V224 HydrophobicContact CB-CG1 4.36Å; P101-V224 HydrophobicContact CG-CG1 4.32Å; V139-V224 HydrophobicContact CB-CB 4.35Å; V139-V224 HydrophobicContact CG1-CB 4.21Å; V139-V224 HydrophobicContact CG2-CB 4.11Å; V139-V224 HydrophobicContact CG2-CG2 4.47Å; Y184-V224 HydrophobicContact CD2-CG2 4.24Å; Y184-V224 HydrophobicContact CE2-CG2 3.82Å; V220-V224 HydrophobicContact CG1-CG1 4.42Å; V220-V224 WeakPolarHBondContact O-CG2 3.22Å; V220-V224 PolarHBondContact O-N 3.26Å; R221-V224 VanDerWaalsContact O-CG2 3.32Å; R221-V224 WeakPolarHBondContact O-CG2 3.32Å; R221-V224 PolarHBondContact O-N 2.89Å; V224-T226 VanDerWaalsContact C-N 3.27Å; V224-T226 PolarHBondContact O-N 2.82Å; V224-L227 WeakPolarHBondContact O-CB 3.49Å; V224-L227 PolarHBondContact O-N 3.05Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.37Å |
| 225 | A | 93.9 | Very high | 92.2 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -36.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R221 I228 A229 | R221-A225 WeakPolarHBondContact O-CB 3.31Å; R221-A225 PolarHBondContact O-N 3.35Å; A225-I228 PolarHBondContact O-N 3.48Å; A225-A229 VanDerWaalsContact O-CB 3.3Å; A225-A229 WeakPolarHBondContact O-CB 3.32Å; A225-A229 PolarHBondContact O-N 2.99Å |
| 226 | T | 94.1 | Very high | 92 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.4 | -39.6 | 175.3 | -54.8 | 0 | 0 | 0 | 0 | 111.3 | S99 N222 S223 V224 A229 Y230 | S99-T226 WeakPolarHBondContact OG-CG2 3.34Å; N222-T226 WeakPolarHBondContact O-CB 3.08Å; N222-T226 PolarHBondContact O-N 2.82Å; N222-T226 PolarHBondContact O-OG1 3.05Å; S223-T226 WeakPolarHBondContact O-CB 3.38Å; S223-T226 PolarHBondContact O-N 3.29Å; V224-T226 VanDerWaalsContact C-N 3.27Å; V224-T226 PolarHBondContact O-N 2.82Å; T226-A229 PolarHBondContact O-N 3.33Å; T226-Y230 HydrophobicContact CG2-CD2 3.8Å; T226-Y230 HydrophobicContact CG2-CE2 3.59Å; T226-Y230 VanDerWaalsContact O-CD2 3.27Å; T226-Y230 WeakPolarHBondContact O-CD2 3.2Å; T226-Y230 PolarHBondContact O-N 3.22Å |
| 227 | L | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.1 | -67.5 | 177.8 | 0 | 0 | 0 | 111.9 | L100 L140 S223 V224 Y230 N231 F298 | L100-L227 HydrophobicContact CD2-CD1 4.48Å; L140-L227 HydrophobicContact CD2-CD1 4.29Å; S223-L227 PolarHBondContact O-N 2.84Å; S223-L227 VanDerWaalsContact O-N 3.12Å; V224-L227 WeakPolarHBondContact O-CB 3.49Å; V224-L227 PolarHBondContact O-N 3.05Å; L227-Y230 PolarHBondContact O-N 3.38Å; L227-N231 WeakPolarHBondContact O-CB 3.37Å; L227-N231 PolarHBondContact O-N 3.28Å; L227-F298 HydrophobicContact CD2-CZ 3.77Å |
| 228 | I | 91.1 | Very high | 91.6 | Very high | 34 Ų | 34 | 67.5 Ų | 67.5 | 17% | 0.174 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 174.9 | -64.8 | 163.4 | 0 | 0 | 0 | 110.1 | V139 Y182 Y184 V224 A225 Y230 N231 W232 | V139-I228 HydrophobicContact CG1-CD1 4.15Å; V139-I228 HydrophobicContact CG1-CG1 3.7Å; V139-I228 HydrophobicContact CG2-CD1 3.88Å; V139-I228 HydrophobicContact CG2-CG1 4.35Å; Y182-I228 HydrophobicContact CD1-CD1 4.31Å; Y182-I228 HydrophobicContact CE1-CD1 3.77Å; Y182-I228 HydrophobicContact CE1-CG1 4.15Å; Y182-I228 HydrophobicContact CE1-CG2 4.49Å; Y184-I228 HydrophobicContact CD1-CD1 3.64Å; Y184-I228 HydrophobicContact CD2-CD1 3.69Å; Y184-I228 HydrophobicContact CE1-CD1 3.57Å; Y184-I228 HydrophobicContact CE2-CD1 3.63Å; Y184-I228 HydrophobicContact CG-CD1 3.7Å; V224-I228 WeakPolarHBondContact O-CG1 3.25Å; V224-I228 PolarHBondContact O-N 3.37Å; A225-I228 PolarHBondContact O-N 3.48Å; I228-Y230 VanDerWaalsContact C-N 3.33Å; I228-Y230 PolarHBondContact O-N 3.25Å; I228-N231 PolarHBondContact O-N 3.15Å; I228-N231 VanDerWaalsContact O-N 3.12Å; I228-W232 WeakPolarHBondContact O-CB 3.48Å; I228-W232 PolarHBondContact O-N 2.89Å |
| 229 | A | 91.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 67.9 Ų | 67.9 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | A225 T226 I233 | A225-A229 VanDerWaalsContact O-CB 3.3Å; A225-A229 WeakPolarHBondContact O-CB 3.32Å; A225-A229 PolarHBondContact O-N 2.99Å; T226-A229 PolarHBondContact O-N 3.33Å; A229-I233 WeakPolarHBondContact O-CB 3.14Å; A229-I233 PolarHBondContact O-N 3.27Å |
| 230 | Y | 89.3 | Confident | 91.1 | Very high | 64 Ų | 64 | 64 Ų | 64 | 25% | 0.251 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.7 | -46.2 | 171.6 | -80.2 | -55.8 | 0 | 0 | 0 | 111 | R92 S95 N96 T226 L227 I228 W232 I233 | R92-Y230 HydrophobicContact CG-CD1 4.2Å; R92-Y230 HydrophobicContact CG-CE1 4.18Å; R92-Y230 VanDerWaalsContact NH2-C 3.33Å; R92-Y230 PolarHBondContact NH2-O 2.88Å; S95-Y230 VanDerWaalsContact CB-OH 3.25Å; S95-Y230 WeakPolarHBondContact CB-OH 3.24Å; N96-Y230 WeakPolarHBondContact OD1-CB 3.43Å; T226-Y230 HydrophobicContact CG2-CD2 3.8Å; T226-Y230 HydrophobicContact CG2-CE2 3.59Å; T226-Y230 VanDerWaalsContact O-CD2 3.27Å; T226-Y230 WeakPolarHBondContact O-CD2 3.2Å; T226-Y230 PolarHBondContact O-N 3.22Å; L227-Y230 PolarHBondContact O-N 3.38Å; I228-Y230 VanDerWaalsContact C-N 3.33Å; I228-Y230 PolarHBondContact O-N 3.25Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 2.61Å; Y230-I233 CarbonylContact O-C 3.6Å; Y230-I233 VanDerWaalsContact O-C 3.31Å; Y230-I233 VanDerWaalsContact O-O 3.04Å |
| 231 | N | 85.1 | Confident | 91 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 49% | 0.492 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.7 | -38.7 | 178.6 | -170.2 | -94 | 0 | 0 | 0 | 112.7 | V143 L227 I228 | V143-N231 HydrophobicContact CB-CB 4.33Å; V143-N231 HydrophobicContact CG1-CB 3.78Å; L227-N231 WeakPolarHBondContact O-CB 3.37Å; L227-N231 PolarHBondContact O-N 3.28Å; I228-N231 PolarHBondContact O-N 3.15Å; I228-N231 VanDerWaalsContact O-N 3.12Å |
| 232 | W | 87.4 | Confident | 90.9 | Very high | 206 Ų | 206 | 66.9 Ų | 66.9 | 78% | 0.78 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -71.7 | -47.1 | 178.5 | -178.6 | 33.7 | 0 | 0 | 0 | 112.8 | I228 Y230 S234 | I228-W232 WeakPolarHBondContact O-CB 3.48Å; I228-W232 PolarHBondContact O-N 2.89Å; Y230-W232 VanDerWaalsContact C-N 3.3Å; Y230-W232 PolarHBondContact O-N 2.61Å; W232-S234 PolarHBondContact O-N 3.07Å |
| 233 | I | 88.9 | Confident | 90.8 | Very high | 106 Ų | 106 | 63.2 Ų | 63.2 | 54% | 0.544 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -100.9 | 84.1 | 179.4 | -52.5 | 174 | 0 | 0 | 0 | 107.8 | R92 A229 Y230 | R92-I233 VanDerWaalsContact CZ-O 3.31Å; R92-I233 PolarHBondContact NH1-O 3.35Å; R92-I233 PolarHBondContact NH2-O 3.14Å; A229-I233 WeakPolarHBondContact O-CB 3.14Å; A229-I233 PolarHBondContact O-N 3.27Å; Y230-I233 CarbonylContact O-C 3.6Å; Y230-I233 VanDerWaalsContact O-C 3.31Å; Y230-I233 VanDerWaalsContact O-O 3.04Å |
| 234 | S | 83.8 | Confident | 90.7 | Very high | 78 Ų | 78 | 63.7 Ų | 63.7 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 166.7 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | W232 | W232-S234 PolarHBondContact O-N 3.07Š|
| 235 | L | 85.8 | Confident | 90.7 | Very high | 30 Ų | 30 | 68.7 Ų | 68.7 | 16% | 0.157 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -59.7 | 133.6 | 166.2 | -76 | 173.1 | 0 | 0 | 0 | 108.1 | F85 V89 L237 I295 | F85-L235 HydrophobicContact CE2-CD1 4.49Å; V89-L235 HydrophobicContact CB-CD1 4.4Å; V89-L235 HydrophobicContact CG2-CD1 3.6Å; L235-L237 PolarHBondContact O-N 2.94Å; L235-I295 HydrophobicContact CB-CD1 4.44Å; L235-I295 HydrophobicContact CD1-CD1 4.13Å; L235-I295 HydrophobicContact CD1-CG1 4.2Å |
| 236 | P | 90 | Very high | 90.7 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 49% | 0.494 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -51 | 127.7 | -176.7 | -29.2 | 35.1 | 0 | 0 | 0 | 111.4 | V238 Y239 T240 | P236-V238 HydrophobicContact CB-CG1 4.04Å; P236-V238 PolarHBondContact O-N 3.34Å; P236-Y239 WeakPolarHBondContact O-CB 3.48Å; P236-Y239 PolarHBondContact O-N 3.33Å; P236-T240 PolarHBondContact O-N 2.83Å |
| 237 | L | 88.9 | Confident | 90.6 | Very high | 115 Ų | 115 | 65.6 Ų | 65.6 | 60% | 0.602 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.6 | -39.7 | -177.8 | 178.1 | 61 | 0 | 0 | 0 | 111.2 | L235 Y239 T240 Q241 | L235-L237 PolarHBondContact O-N 2.94Å; L237-Y239 PolarHBondContact O-N 2.94Å; L237-T240 PolarHBondContact O-N 3.33Å; L237-T240 VanDerWaalsContact O-N 3.16Å; L237-Q241 HydrophobicContact CD1-CG 4.1Å; L237-Q241 HydrophobicContact CG-CG 4.04Å; L237-Q241 WeakPolarHBondContact O-CB 3.44Å; L237-Q241 WeakPolarHBondContact O-CG 3.2Å; L237-Q241 PolarHBondContact O-N 3.24Å |
| 238 | V | 93.1 | Very high | 90.8 | Very high | 91 Ų | 91 | 69.7 Ų | 69.7 | 55% | 0.552 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.2 | -35.6 | 176.2 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | P236 Q241 V242 | P236-V238 HydrophobicContact CB-CG1 4.04Å; P236-V238 PolarHBondContact O-N 3.34Å; V238-Q241 PolarHBondContact O-N 3.5Å; V238-V242 HydrophobicContact CG2-CG2 4.23Å; V238-V242 WeakPolarHBondContact O-CB 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.41Å |
| 239 | Y | 91.1 | Very high | 90.9 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 29% | 0.286 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.6 | -47.2 | 178.7 | -168 | -174.3 | 0 | 0 | 0 | 110.4 | F85 P236 L237 Q241 V242 V243 | F85-Y239 HydrophobicContact CB-CE2 4.22Å; F85-Y239 HydrophobicContact CD2-CD1 4.24Å; F85-Y239 HydrophobicContact CD2-CD2 4.19Å; F85-Y239 HydrophobicContact CD2-CE1 4.15Å; F85-Y239 HydrophobicContact CD2-CE2 4.08Å; F85-Y239 HydrophobicContact CD2-CG 4.26Å; F85-Y239 PolarHBondContact N-OH 2.92Å; P236-Y239 WeakPolarHBondContact O-CB 3.48Å; P236-Y239 PolarHBondContact O-N 3.33Å; L237-Y239 PolarHBondContact O-N 2.94Å; Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 3.46Å; Y239-V242 PolarHBondContact O-N 3.29Å; Y239-V243 HydrophobicContact CD2-CG2 3.7Å; Y239-V243 HydrophobicContact CE2-CG2 3.66Å; Y239-V243 WeakPolarHBondContact O-CG2 3.15Å; Y239-V243 PolarHBondContact O-N 3.13Å |
| 240 | T | 90 | Very high | 90.9 | Very high | 32 Ų | 32 | 69.4 Ų | 69.4 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -58.9 | -43.2 | 174.1 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | F85 P236 L237 T244 | F85-T240 HydrophobicContact CZ-CG2 4.21Å; P236-T240 PolarHBondContact O-N 2.83Å; L237-T240 PolarHBondContact O-N 3.33Å; L237-T240 VanDerWaalsContact O-N 3.16Å; T240-T244 WeakPolarHBondContact O-CB 3.49Å; T240-T244 PolarHBondContact O-N 2.95Å; T240-T244 PolarHBondContact O-OG1 3.2Å |
| 241 | Q | 93.6 | Very high | 91.2 | Very high | 94 Ų | 94 | 66.6 Ų | 66.6 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.5 | -48.5 | 177.6 | -75.2 | 174.2 | -31.3 | 0 | 0 | 112 | L237 V238 Y239 V243 T244 I245 | L237-Q241 HydrophobicContact CD1-CG 4.1Å; L237-Q241 HydrophobicContact CG-CG 4.04Å; L237-Q241 WeakPolarHBondContact O-CB 3.44Å; L237-Q241 WeakPolarHBondContact O-CG 3.2Å; L237-Q241 PolarHBondContact O-N 3.24Å; V238-Q241 PolarHBondContact O-N 3.5Å; Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 3.46Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; Q241-V243 PolarHBondContact O-N 2.8Å; Q241-T244 PolarHBondContact O-N 2.89Å; Q241-I245 HydrophobicContact CB-CD1 4.49Å; Q241-I245 VanDerWaalsContact O-CB 3.3Å; Q241-I245 WeakPolarHBondContact O-CB 3.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.23Å; Q241-I245 PolarHBondContact O-N 3.3Å |
| 242 | V | 93.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 66.6 Ų | 66.6 | 47% | 0.473 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 179.3 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | V238 Y239 A246 | V238-V242 HydrophobicContact CG2-CG2 4.23Å; V238-V242 WeakPolarHBondContact O-CB 3.28Å; V238-V242 WeakPolarHBondContact O-CG2 3.4Å; V238-V242 PolarHBondContact O-N 3.41Å; Y239-V242 PolarHBondContact O-N 3.29Å; V242-A246 VanDerWaalsContact O-CB 3.23Å; V242-A246 WeakPolarHBondContact O-CB 3.36Å; V242-A246 PolarHBondContact O-N 3.23Å |
| 243 | V | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 178.7 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | I81 M82 F85 Y239 Q241 A246 T247 L288 | I81-V243 HydrophobicContact CG2-CB 4.29Å; I81-V243 HydrophobicContact CG2-CG1 4.32Å; I81-V243 HydrophobicContact CG2-CG2 3.69Å; M82-V243 HydrophobicContact CE-CG1 4.46Å; M82-V243 HydrophobicContact SD-CG1 3.28Å; M82-V243 WeakPolarHBondContact SD-CG1 3.48Å; F85-V243 HydrophobicContact CB-CG1 4.25Å; F85-V243 HydrophobicContact CB-CG2 3.81Å; F85-V243 HydrophobicContact CD1-CB 4.28Å; F85-V243 HydrophobicContact CD1-CG1 3.75Å; F85-V243 HydrophobicContact CD1-CG2 4.25Å; F85-V243 HydrophobicContact CD2-CG2 3.97Å; F85-V243 HydrophobicContact CE1-CG1 4.3Å; F85-V243 HydrophobicContact CG-CB 4.29Å; F85-V243 HydrophobicContact CG-CG1 4.07Å; F85-V243 HydrophobicContact CG-CG2 3.76Å; Y239-V243 HydrophobicContact CD2-CG2 3.7Å; Y239-V243 HydrophobicContact CE2-CG2 3.66Å; Y239-V243 WeakPolarHBondContact O-CG2 3.15Å; Y239-V243 PolarHBondContact O-N 3.13Å; Q241-V243 VanDerWaalsContact C-N 3.34Å; Q241-V243 PolarHBondContact O-N 2.8Å; V243-A246 PolarHBondContact O-N 3.44Å; V243-T247 PolarHBondContact O-N 3.45Å; V243-T247 PolarHBondContact O-OG1 3.15Å; V243-L288 HydrophobicContact CG1-CD1 4.08Å |
| 244 | T | 93.3 | Very high | 92.2 | Very high | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.288 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 178.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | T240 Q241 T247 H248 | T240-T244 WeakPolarHBondContact O-CB 3.49Å; T240-T244 PolarHBondContact O-N 2.95Å; T240-T244 PolarHBondContact O-OG1 3.2Å; Q241-T244 PolarHBondContact O-N 2.89Å; T244-T247 PolarHBondContact O-N 3.47Å; T244-H248 WeakPolarHBondContact CG2-ND1 3.45Å; T244-H248 WeakPolarHBondContact O-CB 3.41Å; T244-H248 PolarHBondContact O-N 3.04Å; T244-H248 PolarHBondContact O-ND1 3.21Å |
| 245 | I | 94.2 | Very high | 92.6 | Very high | 105 Ų | 105 | 50 Ų | 50 | 54% | 0.538 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.5 | -43.4 | 177.3 | -69.8 | 166.6 | 0 | 0 | 0 | 110 | Q241 T247 H248 S249 | Q241-I245 HydrophobicContact CB-CD1 4.49Å; Q241-I245 VanDerWaalsContact O-CB 3.3Å; Q241-I245 WeakPolarHBondContact O-CB 3.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.23Å; Q241-I245 PolarHBondContact O-N 3.3Å; I245-T247 PolarHBondContact O-N 2.99Å; I245-H248 PolarHBondContact O-N 2.84Å; I245-S249 WeakPolarHBondContact O-CB 3.5Å; I245-S249 PolarHBondContact O-N 3.19Å; I245-S249 PolarHBondContact O-OG 3.16Å |
| 246 | A | 93.7 | Very high | 93 | Very high | 13 Ų | 13 | 50.6 Ų | 50.6 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L78 V242 V243 F250 | L78-A246 HydrophobicContact CD1-CB 3.97Å; V242-A246 VanDerWaalsContact O-CB 3.23Å; V242-A246 WeakPolarHBondContact O-CB 3.36Å; V242-A246 PolarHBondContact O-N 3.23Å; V243-A246 PolarHBondContact O-N 3.44Å; A246-F250 VanDerWaalsContact O-CB 3.23Å; A246-F250 WeakPolarHBondContact O-CB 3.03Å; A246-F250 PolarHBondContact O-N 3.16Å |
| 247 | T | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 178.6 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | M82 V243 T244 I245 F250 F251 M285 L288 | M82-T247 PolarHBondContact SD-OG1 3.45Å; M82-T247 VanDerWaalsContact SD-OG1 3.36Å; V243-T247 PolarHBondContact O-N 3.45Å; V243-T247 PolarHBondContact O-OG1 3.15Å; T244-T247 PolarHBondContact O-N 3.47Å; I245-T247 PolarHBondContact O-N 2.99Å; T247-F250 WeakPolarHBondContact O-CB 3.46Å; T247-F250 PolarHBondContact O-N 3.27Å; T247-F251 HydrophobicContact CG2-CD2 4.07Å; T247-F251 HydrophobicContact CG2-CE2 3.91Å; T247-F251 WeakPolarHBondContact O-CD2 3.23Å; T247-F251 PolarHBondContact O-N 3.24Å; T247-F251 VanDerWaalsContact O-N 3.16Å; T247-M285 HydrophobicContact CG2-CG 4.43Å; T247-M285 HydrophobicContact CG2-SD 3.57Å; T247-M285 VanDerWaalsContact CG2-SD 3.57Å; T247-L288 HydrophobicContact CG2-CD2 4.04Å |
| 248 | H | 94.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 42.9 Ų | 42.9 | 40% | 0.398 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.2 | -41.7 | -178.2 | -72.9 | 77.5 | 0 | 0 | 0 | 111.7 | T244 I245 F250 F251 V252 | T244-H248 WeakPolarHBondContact CG2-ND1 3.45Å; T244-H248 WeakPolarHBondContact O-CB 3.41Å; T244-H248 PolarHBondContact O-N 3.04Å; T244-H248 PolarHBondContact O-ND1 3.21Å; I245-H248 PolarHBondContact O-N 2.84Å; H248-F250 VanDerWaalsContact C-N 3.31Å; H248-F250 PolarHBondContact O-N 3.26Å; H248-F251 PolarHBondContact O-N 2.9Å; H248-F251 VanDerWaalsContact O-N 3.14Å; H248-V252 WeakPolarHBondContact O-CB 3.13Å; H248-V252 VanDerWaalsContact O-CG2 3.31Å; H248-V252 WeakPolarHBondContact O-CG2 3.39Å; H248-V252 PolarHBondContact O-N 2.85Å |
| 249 | S | 93.2 | Very high | 92.7 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | I245 F251 V252 T253 | I245-S249 WeakPolarHBondContact O-CB 3.5Å; I245-S249 PolarHBondContact O-N 3.19Å; I245-S249 PolarHBondContact O-OG 3.16Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 3.18Å; S249-V252 PolarHBondContact O-N 3.18Å; S249-T253 WeakPolarHBondContact O-CG2 3.4Å; S249-T253 PolarHBondContact O-N 3.4Å; S249-T253 PolarHBondContact O-OG1 2.79Å |
| 250 | F | 93.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.4 | -42.1 | 173.7 | 177.4 | -95.7 | 0 | 0 | 0 | 112.2 | N73 L76 L78 A246 T247 H248 T253 N254 Y284 | N73-F250 HydrophobicContact CB-CD2 4.21Å; N73-F250 HydrophobicContact CB-CE2 4.03Å; L76-F250 HydrophobicContact CD2-CB 3.92Å; L76-F250 HydrophobicContact CD2-CD2 4.09Å; L76-F250 HydrophobicContact CD2-CG 4.44Å; L78-F250 HydrophobicContact CD2-CB 4Å; L78-F250 HydrophobicContact CD2-CD1 3.8Å; L78-F250 HydrophobicContact CD2-CD2 4.3Å; L78-F250 HydrophobicContact CD2-CE1 4.34Å; L78-F250 HydrophobicContact CD2-CG 3.77Å; A246-F250 VanDerWaalsContact O-CB 3.23Å; A246-F250 WeakPolarHBondContact O-CB 3.03Å; A246-F250 PolarHBondContact O-N 3.16Å; T247-F250 WeakPolarHBondContact O-CB 3.46Å; T247-F250 PolarHBondContact O-N 3.27Å; H248-F250 VanDerWaalsContact C-N 3.31Å; H248-F250 PolarHBondContact O-N 3.26Å; F250-T253 PolarHBondContact O-OG1 3.11Å; F250-N254 WeakPolarHBondContact CE1-ND2 3.15Å; F250-N254 WeakPolarHBondContact CE2-ND2 3.32Å; F250-N254 VanDerWaalsContact CZ-ND2 3.32Å; F250-N254 WeakPolarHBondContact CZ-ND2 3.34Å; F250-N254 VanDerWaalsContact O-CB 3.31Å; F250-N254 WeakPolarHBondContact O-CB 3.25Å; F250-N254 PolarHBondContact O-N 2.85Å; F250-N254 VanDerWaalsContact O-N 3.07Å; F250-N254 PolarHBondContact O-ND2 3.4Å; F250-Y284 HydrophobicContact CE1-CD2 4.19Å; F250-Y284 HydrophobicContact CE1-CE2 4.29Å; F250-Y284 HydrophobicContact CZ-CE2 4.45Å |
| 251 | F | 94.7 | Very high | 92 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -78.1 | -35.8 | 178.5 | -76.2 | -60.4 | 0 | 0 | 0 | 113.8 | F39 T247 H248 S249 N254 L255 L277 Q280 F281 Y284 M285 | F39-F251 HydrophobicContact CD2-CB 4.45Å; F39-F251 HydrophobicContact CE2-CB 3.89Å; F39-F251 AromaticContact CE2-CD1 3.97Å; F39-F251 HydrophobicContact CE2-CD1 3.97Å; F39-F251 HydrophobicContact CE2-CG 4.26Å; F39-F251 HydrophobicContact CZ-CD1 4.09Å; T247-F251 HydrophobicContact CG2-CD2 4.07Å; T247-F251 HydrophobicContact CG2-CE2 3.91Å; T247-F251 WeakPolarHBondContact O-CD2 3.23Å; T247-F251 PolarHBondContact O-N 3.24Å; T247-F251 VanDerWaalsContact O-N 3.16Å; H248-F251 PolarHBondContact O-N 2.9Å; H248-F251 VanDerWaalsContact O-N 3.14Å; S249-F251 VanDerWaalsContact C-N 3.29Å; S249-F251 PolarHBondContact O-N 3.18Å; F251-N254 PolarHBondContact O-N 3.2Å; F251-L255 WeakPolarHBondContact O-CG 3.33Å; F251-L255 PolarHBondContact O-N 3.14Å; F251-L277 HydrophobicContact CD1-CD1 4.44Å; F251-L277 HydrophobicContact CE1-CD1 4.48Å; F251-Q280 HydrophobicContact CE1-CB 4.41Å; F251-Q280 WeakPolarHBondContact CZ-O 3.37Å; F251-F281 HydrophobicContact CB-CD2 4.4Å; F251-F281 HydrophobicContact CB-CE2 4.48Å; F251-F281 HydrophobicContact CD1-CB 4.36Å; F251-F281 AromaticContact CD1-CD2 3.63Å; F251-F281 HydrophobicContact CD1-CD2 3.63Å; F251-F281 HydrophobicContact CD1-CE2 4.47Å; F251-F281 HydrophobicContact CD1-CG 4.48Å; F251-F281 HydrophobicContact CD2-CD2 4.02Å; F251-F281 HydrophobicContact CD2-CE2 4.32Å; F251-F281 VanDerWaalsContact CE1-CA 3.47Å; F251-F281 HydrophobicContact CE1-CB 3.86Å; F251-F281 AromaticContact CE1-CD2 3.88Å; F251-F281 HydrophobicContact CE1-CD2 3.88Å; F251-F281 HydrophobicContact CE1-CG 4.33Å; F251-F281 HydrophobicContact CE2-CD2 4.24Å; F251-F281 AromaticContact CG-CD2 3.73Å; F251-F281 HydrophobicContact CG-CD2 3.73Å; F251-F281 HydrophobicContact CG-CE2 4.16Å; F251-F281 HydrophobicContact CZ-CB 4.2Å; F251-F281 HydrophobicContact CZ-CD2 4.2Å; F251-Y284 HydrophobicContact CZ-CD2 4.03Å; F251-Y284 HydrophobicContact CZ-CG 4.35Å; F251-M285 HydrophobicContact CD2-CG 3.87Å; F251-M285 HydrophobicContact CD2-SD 4.13Å; F251-M285 HydrophobicContact CE2-CG 3.75Å; F251-M285 HydrophobicContact CE2-SD 4.36Å |
| 252 | V | 94.7 | Very high | 91.3 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 56% | 0.558 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -61.9 | -44.8 | 174.2 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | H248 S249 L255 | H248-V252 WeakPolarHBondContact O-CB 3.13Å; H248-V252 VanDerWaalsContact O-CG2 3.31Å; H248-V252 WeakPolarHBondContact O-CG2 3.39Å; H248-V252 PolarHBondContact O-N 2.85Å; S249-V252 PolarHBondContact O-N 3.18Å; V252-L255 WeakPolarHBondContact O-CB 3.41Å; V252-L255 PolarHBondContact O-N 3.12Å |
| 253 | T | 94.8 | Very high | 90.4 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.153 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.7 | -37 | 175.9 | 56.4 | 0 | 0 | 0 | 0 | 111.3 | F69 N73 S249 F250 L255 I256 A257 | F69-T253 HydrophobicContact CD1-CG2 4.1Å; F69-T253 HydrophobicContact CD2-CG2 4.38Å; F69-T253 HydrophobicContact CE1-CG2 4.25Å; F69-T253 HydrophobicContact CG-CG2 4.18Å; F69-T253 HydrophobicContact CZ-CG2 4.46Å; N73-T253 PolarHBondContact ND2-OG1 2.95Å; N73-T253 PolarHBondContact OD1-OG1 3.48Å; S249-T253 WeakPolarHBondContact O-CG2 3.4Å; S249-T253 PolarHBondContact O-N 3.4Å; S249-T253 PolarHBondContact O-OG1 2.79Å; F250-T253 PolarHBondContact O-OG1 3.11Å; T253-L255 VanDerWaalsContact C-N 3.32Å; T253-L255 PolarHBondContact O-N 3.43Å; T253-I256 PolarHBondContact O-N 3.33Å; T253-A257 WeakPolarHBondContact O-CB 3.15Å; T253-A257 PolarHBondContact O-N 3.06Å |
| 254 | N | 92.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -27.3 | 175.9 | -87.3 | -69.7 | 0 | 0 | 0 | 113.6 | N73 F250 F251 I256 A257 R258 L277 | N73-N254 VanDerWaalsContact ND2-CG 3.3Å; N73-N254 PolarHBondContact ND2-ND2 3.34Å; F250-N254 WeakPolarHBondContact CE1-ND2 3.15Å; F250-N254 WeakPolarHBondContact CE2-ND2 3.32Å; F250-N254 VanDerWaalsContact CZ-ND2 3.32Å; F250-N254 WeakPolarHBondContact CZ-ND2 3.34Å; F250-N254 VanDerWaalsContact O-CB 3.31Å; F250-N254 WeakPolarHBondContact O-CB 3.25Å; F250-N254 PolarHBondContact O-N 2.85Å; F250-N254 VanDerWaalsContact O-N 3.07Å; F250-N254 PolarHBondContact O-ND2 3.4Å; F251-N254 PolarHBondContact O-N 3.2Å; N254-I256 PolarHBondContact O-N 3.37Å; N254-A257 PolarHBondContact O-N 3.14Å; N254-R258 HydrophobicContact CB-CG 4.17Å; N254-R258 VanDerWaalsContact O-CB 3.24Å; N254-R258 WeakPolarHBondContact O-CB 3.18Å; N254-R258 WeakPolarHBondContact O-CG 3.3Å; N254-R258 PolarHBondContact O-N 3.46Å; N254-R258 WeakPolarHBondContact OD1-CG 3.15Å; N254-R258 PolarHBondContact OD1-NE 2.93Å; N254-L277 HydrophobicContact CB-CD1 3.79Å |
| 255 | L | 93 | Very high | 87.5 | Confident | 15 Ų | 15 | 38.6 Ų | 38.6 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -27.5 | 172.3 | -78.2 | 169.6 | 0 | 0 | 0 | 112.7 | F39 V42 Y43 I46 F251 V252 T253 Q259 | F39-L255 HydrophobicContact CD2-CD1 4.32Å; F39-L255 HydrophobicContact CD2-CD2 3.85Å; F39-L255 HydrophobicContact CD2-CG 4.12Å; F39-L255 HydrophobicContact CE1-CD2 4.47Å; F39-L255 HydrophobicContact CE2-CD1 4.27Å; F39-L255 HydrophobicContact CE2-CD2 3.55Å; F39-L255 HydrophobicContact CE2-CG 3.64Å; F39-L255 HydrophobicContact CG-CD2 4.44Å; F39-L255 HydrophobicContact CZ-CD2 3.9Å; F39-L255 HydrophobicContact CZ-CG 4.29Å; V42-L255 HydrophobicContact CB-CD1 4.34Å; V42-L255 HydrophobicContact CG1-CD1 3.66Å; V42-L255 HydrophobicContact CG1-CD2 4.37Å; Y43-L255 HydrophobicContact CD2-CD2 4.21Å; I46-L255 HydrophobicContact CD1-CB 3.8Å; F251-L255 WeakPolarHBondContact O-CG 3.33Å; F251-L255 PolarHBondContact O-N 3.14Å; V252-L255 WeakPolarHBondContact O-CB 3.41Å; V252-L255 PolarHBondContact O-N 3.12Å; T253-L255 VanDerWaalsContact C-N 3.32Å; T253-L255 PolarHBondContact O-N 3.43Å; L255-Q259 VanDerWaalsContact O-CG 3.26Å; L255-Q259 WeakPolarHBondContact O-CG 2.89Å; L255-Q259 PolarHBondContact O-NE2 2.8Å |
| 256 | I | 92.7 | Very high | 85.6 | Confident | 42 Ų | 42 | 39.8 Ų | 39.8 | 22% | 0.215 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -95.6 | -48.9 | 174.6 | -64 | 168.1 | 0 | 0 | 0 | 110 | F62 V65 A66 F69 T253 N254 R258 Q259 | F62-I256 HydrophobicContact CE1-CG2 4.3Å; F62-I256 HydrophobicContact CE2-CG1 4.5Å; F62-I256 HydrophobicContact CE2-CG2 3.92Å; F62-I256 HydrophobicContact CZ-CB 4.42Å; F62-I256 HydrophobicContact CZ-CG2 3.73Å; V65-I256 HydrophobicContact CG1-CG2 4.24Å; A66-I256 HydrophobicContact CB-CG2 4.03Å; A66-I256 WeakPolarHBondContact CB-O 3.38Å; F69-I256 HydrophobicContact CD2-CB 4.1Å; F69-I256 HydrophobicContact CD2-CD1 4.38Å; F69-I256 HydrophobicContact CD2-CG2 4.11Å; F69-I256 HydrophobicContact CE2-CB 4.47Å; F69-I256 HydrophobicContact CE2-CD1 3.9Å; F69-I256 HydrophobicContact CE2-CG2 4.47Å; T253-I256 PolarHBondContact O-N 3.33Å; N254-I256 PolarHBondContact O-N 3.37Å; I256-R258 PolarHBondContact O-N 3.27Å; I256-R258 VanDerWaalsContact O-N 3.1Å; I256-Q259 PolarHBondContact O-N 2.68Å; I256-Q259 VanDerWaalsContact O-N 3.16Å |
| 257 | A | 89.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -25.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | A66 F69 T253 N254 R267 | A66-A257 WeakPolarHBondContact O-CA 3.47Å; F69-A257 HydrophobicContact CB-CB 3.81Å; T253-A257 WeakPolarHBondContact O-CB 3.15Å; T253-A257 PolarHBondContact O-N 3.06Å; N254-A257 PolarHBondContact O-N 3.14Å; A257-R267 PolarHBondContact O-NH1 3.12Å |
| 258 | R | 87.8 | Confident | 82.1 | Confident | 30 Ų | 30 | 48.8 Ų | 48.8 | 11% | 0.113 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 16.4 | -176.8 | -58.3 | -68.1 | -175.9 | 156.4 | -6.7 | 113.6 | Y43 N254 I256 L277 | Y43-R258 PolarHBondContact OH-O 3.23Å; N254-R258 HydrophobicContact CB-CG 4.17Å; N254-R258 VanDerWaalsContact O-CB 3.24Å; N254-R258 WeakPolarHBondContact O-CB 3.18Å; N254-R258 WeakPolarHBondContact O-CG 3.3Å; N254-R258 PolarHBondContact O-N 3.46Å; N254-R258 WeakPolarHBondContact OD1-CG 3.15Å; N254-R258 PolarHBondContact OD1-NE 2.93Å; I256-R258 PolarHBondContact O-N 3.27Å; I256-R258 VanDerWaalsContact O-N 3.1Å; R258-L277 HydrophobicContact CB-CD2 3.91Å; R258-L277 HydrophobicContact CG-CD1 4.24Å; R258-L277 HydrophobicContact CG-CD2 4.29Å |
| 259 | Q | 89.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -70.9 | 148.9 | 169.2 | -68.1 | -63.1 | -27.3 | 0 | 0 | 110.9 | Y43 I46 N47 F62 L255 I256 T261 R267 | Y43-Q259 PolarHBondContact O-NE2 3.14Å; I46-Q259 HydrophobicContact CG2-CG 3.76Å; N47-Q259 VanDerWaalsContact CA-OE1 3.3Å; N47-Q259 VanDerWaalsContact CB-OE1 3.29Å; N47-Q259 PolarHBondContact ND2-OE1 3.49Å; N47-Q259 VanDerWaalsContact ND2-OE1 3.13Å; F62-Q259 HydrophobicContact CE1-CB 3.99Å; F62-Q259 HydrophobicContact CE1-CG 4.24Å; F62-Q259 HydrophobicContact CZ-CB 4.18Å; F62-Q259 HydrophobicContact CZ-CG 3.89Å; L255-Q259 VanDerWaalsContact O-CG 3.26Å; L255-Q259 WeakPolarHBondContact O-CG 2.89Å; L255-Q259 PolarHBondContact O-NE2 2.8Å; I256-Q259 PolarHBondContact O-N 2.68Å; I256-Q259 VanDerWaalsContact O-N 3.16Å; Q259-T261 HydrophobicContact CB-CG2 4.49Å; Q259-R267 PolarHBondContact O-NH1 3.46Å | ||
| 260 | S | 82.7 | Confident | 79.1 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -73.8 | 131.7 | 164.6 | 55.1 | 0 | 0 | 0 | 0 | 108.8 | N47 W51 S271 | N47-S260 PolarHBondContact ND2-OG 3.02Å; W51-S260 PolarHBondContact NE1-O 3.32Å; W51-S260 PolarHBondContact NE1-OG 3.37Å; W51-S260 VanDerWaalsContact NE1-OG 3.1Å; S260-S271 VanDerWaalsContact CB-CB 3.49Å; S260-S271 WeakPolarHBondContact CB-OG 3.42Å; S260-S271 VanDerWaalsContact OG-CB 3.32Å; S260-S271 WeakPolarHBondContact OG-CB 3.09Å; S260-S271 PolarHBondContact OG-OG 3Å | ||
| 261 | T | 83.6 | Confident | 77.7 | Confident | 13 Ų | 13 | 46 Ų | 46 | 8% | 0.08 | 25% | 0.254 | C | S | . | . | trans | -137.9 | 154.8 | -177.9 | 58 | 0 | 0 | 0 | 0 | 110.2 | Y50 F62 E63 Q259 S263 A264 | Y50-T261 HydrophobicContact CD2-CG2 4.19Å; Y50-T261 HydrophobicContact CE1-CG2 4.1Å; Y50-T261 HydrophobicContact CE2-CG2 3.68Å; Y50-T261 VanDerWaalsContact OH-CA 3.3Å; Y50-T261 WeakPolarHBondContact OH-CA 3.31Å; Y50-T261 VanDerWaalsContact OH-CB 3.31Å; Y50-T261 WeakPolarHBondContact OH-CB 3.38Å; F62-T261 HydrophobicContact CD1-CG2 4.17Å; F62-T261 HydrophobicContact CE1-CG2 4.09Å; E63-T261 HydrophobicContact CG-CG2 3.85Å; Q259-T261 HydrophobicContact CB-CG2 4.49Å; T261-S263 VanDerWaalsContact C-N 3.34Å; T261-S263 PolarHBondContact O-N 3Å; T261-A264 PolarHBondContact O-N 2.97Å; T261-A264 VanDerWaalsContact O-N 3.16Å; T261-A264 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 262 | Y | 79.1 | Confident | 76.4 | Confident | 135 Ų | 135 | 55.1 Ų | 55.1 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -54.6 | -46.2 | -179.3 | -83.4 | -79.6 | 0 | 0 | 0 | 111.9 | Y50 W51 K59 E63 A264 | Y50-Y262 HydrophobicContact CE1-CD2 4.18Å; Y50-Y262 WeakPolarHBondContact OH-CD2 3.05Å; Y50-Y262 PolarHBondContact OH-N 3.38Å; W51-Y262 AromaticContact CE3-CE2 3.82Å; W51-Y262 HydrophobicContact CE3-CE2 3.82Å; W51-Y262 HydrophobicContact CH2-CD2 4.33Å; W51-Y262 HydrophobicContact CH2-CE2 4.28Å; W51-Y262 HydrophobicContact CH2-CG 4.45Å; W51-Y262 HydrophobicContact CZ3-CD1 4.29Å; W51-Y262 AromaticContact CZ3-CD2 3.95Å; W51-Y262 HydrophobicContact CZ3-CD2 3.95Å; W51-Y262 AromaticContact CZ3-CE1 3.88Å; W51-Y262 HydrophobicContact CZ3-CE1 3.88Å; W51-Y262 AromaticContact CZ3-CE2 3.46Å; W51-Y262 HydrophobicContact CZ3-CE2 3.46Å; W51-Y262 VanDerWaalsContact CZ3-CE2 3.46Å; W51-Y262 HydrophobicContact CZ3-CG 4.34Å; W51-Y262 AromaticContact CZ3-CZ 3.45Å; W51-Y262 VanDerWaalsContact CZ3-CZ 3.45Å; K59-Y262 HydrophobicContact CD-CD2 4.12Å; K59-Y262 HydrophobicContact CD-CE2 4.14Å; E63-Y262 PolarHBondContact OE1-N 3.18Å; Y262-A264 VanDerWaalsContact C-N 3.33Å; Y262-A264 PolarHBondContact O-N 3.4Å |
| 263 | S | 73.8 | Confident | 75.7 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 66% | 0.657 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -25.7 | -179.8 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | E63 T261 G265 | E63-S263 PolarHBondContact OE1-N 3.47Å; E63-S263 WeakPolarHBondContact OE2-CB 3.45Å; E63-S263 PolarHBondContact OE2-OG 2.97Å; T261-S263 VanDerWaalsContact C-N 3.34Å; T261-S263 PolarHBondContact O-N 3Å; S263-G265 PolarHBondContact O-N 2.84Å; S263-G265 VanDerWaalsContact O-N 3.15Å |
| 264 | A | 67.4 | Low | 75.3 | Confident | 31 Ų | 31 | 55.2 Ų | 55.2 | 26% | 0.256 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 38.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | T261 Y262 D266 R267 | T261-A264 PolarHBondContact O-N 2.97Å; T261-A264 VanDerWaalsContact O-N 3.16Å; T261-A264 WeakPolarHBondContact OG1-CB 3.44Å; Y262-A264 VanDerWaalsContact C-N 3.33Å; Y262-A264 PolarHBondContact O-N 3.4Å; A264-D266 PolarHBondContact O-N 3.47Å; A264-R267 HydrophobicContact CB-CG 4.48Å; A264-R267 PolarHBondContact O-N 3.26Å |
| 265 | G | 60 | Low | 74.9 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -40.4 | -18.1 | -164.9 | 0 | 0 | 0 | 0 | 0 | 119 | S263 R267 | S263-G265 PolarHBondContact O-N 2.84Å; S263-G265 VanDerWaalsContact O-N 3.15Å; G265-R267 VanDerWaalsContact C-N 3.31Å; G265-R267 PolarHBondContact O-N 3.48Å |
| 266 | D | 54.6 | Low | 74.4 | Confident | 130 Ų | 130 | 56 Ų | 56 | 70% | 0.695 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -72.9 | -9.5 | 171.5 | -70 | -14.8 | 0 | 0 | 0 | 115.4 | A264 | A264-D266 PolarHBondContact O-N 3.47Š|
| 267 | R | 56.6 | Low | 74.2 | Confident | 54 Ų | 54 | 54 Ų | 54 | 20% | 0.204 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -99.4 | 12.9 | -173.1 | -65.6 | -171.4 | -171.1 | 173.8 | -3 | 115.5 | A257 Q259 A264 G265 I269 E270 S271 | A257-R267 PolarHBondContact O-NH1 3.12Å; Q259-R267 PolarHBondContact O-NH1 3.46Å; A264-R267 HydrophobicContact CB-CG 4.48Å; A264-R267 PolarHBondContact O-N 3.26Å; G265-R267 VanDerWaalsContact C-N 3.31Å; G265-R267 PolarHBondContact O-N 3.48Å; R267-I269 PolarHBondContact O-N 3.43Å; R267-I269 VanDerWaalsContact O-N 3.14Å; R267-E270 PolarHBondContact O-N 3.23Å; R267-E270 VanDerWaalsContact O-N 3.1Å; R267-S271 PolarHBondContact O-N 3.36Å |
| 268 | E | 56.4 | Low | 74.2 | Confident | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -53.6 | -36.3 | 177.4 | -73 | -172.2 | 171.2 | 0 | 0 | 112.6 | S271 Y272 | E268-S271 WeakPolarHBondContact O-CB 3.35Å; E268-S271 PolarHBondContact O-N 2.99Å; E268-Y272 WeakPolarHBondContact O-CD2 3.14Å |
| 269 | I | 58.3 | Low | 74.1 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 33% | 0.328 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.5 | -42.1 | 179.6 | -62.7 | 154.1 | 0 | 0 | 0 | 111.6 | R267 S271 Y272 A437 V438 L441 | R267-I269 PolarHBondContact O-N 3.43Å; R267-I269 VanDerWaalsContact O-N 3.14Å; I269-S271 PolarHBondContact O-N 3.4Å; I269-Y272 PolarHBondContact O-N 3.26Å; I269-A437 HydrophobicContact CD1-CB 4.17Å; I269-V438 HydrophobicContact CD1-CB 4.29Å; I269-V438 HydrophobicContact CD1-CG2 3.46Å; I269-V438 VanDerWaalsContact CD1-CG2 3.46Å; I269-V438 HydrophobicContact CG1-CG2 4.31Å; I269-L441 HydrophobicContact CB-CD2 3.92Å; I269-L441 HydrophobicContact CG2-CD2 3.81Å |
| 270 | E | 66.4 | Low | 74.1 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.037 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -24.4 | 175 | -69.3 | -166.6 | 140 | 0 | 0 | 111.9 | R267 Y272 F273 L441 | R267-E270 PolarHBondContact O-N 3.23Å; R267-E270 VanDerWaalsContact O-N 3.1Å; E270-Y272 PolarHBondContact O-N 3.28Å; E270-F273 CarbonylContact O-C 3.55Å; E270-F273 PolarHBondContact O-N 2.72Å; E270-L441 HydrophobicContact CG-CD1 3.64Å; E270-L441 HydrophobicContact CG-CD2 3.7Å; E270-L441 HydrophobicContact CG-CG 4.23Å |
| 271 | S | 64.1 | Low | 74.5 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.7 | -37.7 | 178.5 | -158.3 | 0 | 0 | 0 | 0 | 112.8 | S260 R267 E268 I269 | S260-S271 VanDerWaalsContact CB-CB 3.49Å; S260-S271 WeakPolarHBondContact CB-OG 3.42Å; S260-S271 VanDerWaalsContact OG-CB 3.32Å; S260-S271 WeakPolarHBondContact OG-CB 3.09Å; S260-S271 PolarHBondContact OG-OG 3Å; R267-S271 PolarHBondContact O-N 3.36Å; E268-S271 WeakPolarHBondContact O-CB 3.35Å; E268-S271 PolarHBondContact O-N 2.99Å; I269-S271 PolarHBondContact O-N 3.4Å |
| 272 | Y | 68.1 | Low | 74.7 | Confident | 197 Ų | 197 | 56.9 Ų | 56.9 | 77% | 0.773 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -81.5 | -37.7 | -179.3 | -65.8 | -79.6 | 0 | 0 | 0 | 112.9 | Y44 E268 I269 E270 | Y44-Y272 PolarHBondContact OH-O 3.29Å; E268-Y272 WeakPolarHBondContact O-CD2 3.14Å; I269-Y272 PolarHBondContact O-N 3.26Å; E270-Y272 PolarHBondContact O-N 3.28Å |
| 273 | F | 80.3 | Confident | 75.1 | Confident | 117 Ų | 117 | 50.7 Ų | 50.7 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | trans | -156.9 | 116.2 | -177.4 | -174.4 | -109.4 | 0 | 0 | 0 | 111.8 | E270 A275 L278 | E270-F273 CarbonylContact O-C 3.55Å; E270-F273 PolarHBondContact O-N 2.72Å; F273-A275 HydrophobicContact CD1-CB 3.78Å; F273-A275 HydrophobicContact CE1-CB 3.82Å; F273-A275 PolarHBondContact O-N 2.75Å; F273-L278 HydrophobicContact CE1-CD1 4.29Å; F273-L278 HydrophobicContact CE2-CD1 3.73Å; F273-L278 HydrophobicContact CZ-CD1 3.56Å | ||
| 274 | P | 86 | Confident | 75.8 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.013 | 24% | 0.242 | C | C | . | . | trans | -81.5 | 59.6 | -174 | 35.6 | -39.4 | 0 | 0 | 0 | 112.6 | Y43 I276 L277 L278 | Y43-P274 HydrophobicContact CD1-CB 4.33Å; Y43-P274 HydrophobicContact CD1-CG 3.73Å; Y43-P274 HydrophobicContact CD2-CB 4.49Å; Y43-P274 HydrophobicContact CD2-CG 4.46Å; Y43-P274 HydrophobicContact CE1-CB 3.78Å; Y43-P274 HydrophobicContact CE1-CG 3.57Å; Y43-P274 HydrophobicContact CE2-CB 3.96Å; Y43-P274 HydrophobicContact CE2-CG 4.34Å; Y43-P274 HydrophobicContact CG-CG 4.18Å; P274-I276 PolarHBondContact O-N 2.85Å; P274-L277 HydrophobicContact CB-CB 4.22Å; P274-L277 HydrophobicContact CB-CD2 4.46Å; P274-L277 PolarHBondContact O-N 3.27Å; P274-L278 HydrophobicContact CG-CD1 4.23Å; P274-L278 HydrophobicContact CG-CG 4.27Å; P274-L278 WeakPolarHBondContact O-CG 3.19Å; P274-L278 PolarHBondContact O-N 2.62Å | ||
| 275 | A | 82.7 | Confident | 77.1 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55 | -47.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F273 L277 L278 I279 | F273-A275 HydrophobicContact CD1-CB 3.78Å; F273-A275 HydrophobicContact CE1-CB 3.82Å; F273-A275 PolarHBondContact O-N 2.75Å; A275-L277 PolarHBondContact O-N 2.94Å; A275-L278 PolarHBondContact O-N 2.87Å; A275-I279 WeakPolarHBondContact O-CG1 3.01Å; A275-I279 PolarHBondContact O-N 2.69Å |
| 276 | I | 82.2 | Confident | 78.5 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.031 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | -177.7 | -69.1 | 165.5 | 0 | 0 | 0 | 110.9 | P274 I279 Q280 L441 F442 G445 L448 | P274-I276 PolarHBondContact O-N 2.85Å; I276-I279 PolarHBondContact O-N 3.32Å; I276-Q280 VanDerWaalsContact CG2-NE2 3.27Å; I276-Q280 PolarHBondContact O-N 3.29Å; I276-L441 HydrophobicContact CD1-CD1 4Å; I276-L441 HydrophobicContact CD1-CG 3.86Å; I276-L441 WeakPolarHBondContact CD1-O 3.4Å; I276-F442 HydrophobicContact CD1-CD1 3.82Å; I276-F442 HydrophobicContact CD1-CE1 4.31Å; I276-F442 HydrophobicContact CG1-CD1 3.82Å; I276-F442 HydrophobicContact CG1-CE1 4.04Å; I276-G445 VanDerWaalsContact CG2-CA 3.49Å; I276-L448 HydrophobicContact CG2-CD1 4.21Å |
| 277 | L | 88.5 | Confident | 80.1 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 178.7 | 179.3 | 59.9 | 0 | 0 | 0 | 111.3 | F39 Y43 F251 N254 R258 P274 A275 Q280 F281 | F39-L277 HydrophobicContact CE1-CD2 3.93Å; F39-L277 HydrophobicContact CE1-CG 3.81Å; F39-L277 HydrophobicContact CZ-CD1 3.94Å; F39-L277 HydrophobicContact CZ-CD2 3.67Å; F39-L277 HydrophobicContact CZ-CG 3.65Å; Y43-L277 HydrophobicContact CD2-CD2 3.8Å; Y43-L277 HydrophobicContact CE2-CD2 3.81Å; F251-L277 HydrophobicContact CD1-CD1 4.44Å; F251-L277 HydrophobicContact CE1-CD1 4.48Å; N254-L277 HydrophobicContact CB-CD1 3.79Å; R258-L277 HydrophobicContact CB-CD2 3.91Å; R258-L277 HydrophobicContact CG-CD1 4.24Å; R258-L277 HydrophobicContact CG-CD2 4.29Å; P274-L277 HydrophobicContact CB-CB 4.22Å; P274-L277 HydrophobicContact CB-CD2 4.46Å; P274-L277 PolarHBondContact O-N 3.27Å; A275-L277 PolarHBondContact O-N 2.94Å; L277-Q280 PolarHBondContact O-N 2.9Å; L277-F281 WeakPolarHBondContact O-CB 3.19Å; L277-F281 PolarHBondContact O-N 3.02Å |
| 278 | L | 90 | Very high | 81.9 | Confident | 19 Ų | 19 | 34.9 Ų | 34.9 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 175.8 | -71.4 | 173 | 0 | 0 | 0 | 112.2 | F39 F273 P274 A275 F281 L282 | F39-L278 HydrophobicContact CD1-CD2 3.99Å; F39-L278 HydrophobicContact CE1-CD2 4.2Å; F273-L278 HydrophobicContact CE1-CD1 4.29Å; F273-L278 HydrophobicContact CE2-CD1 3.73Å; F273-L278 HydrophobicContact CZ-CD1 3.56Å; P274-L278 HydrophobicContact CG-CD1 4.23Å; P274-L278 HydrophobicContact CG-CG 4.27Å; P274-L278 WeakPolarHBondContact O-CG 3.19Å; P274-L278 PolarHBondContact O-N 2.62Å; A275-L278 PolarHBondContact O-N 2.87Å; L278-F281 WeakPolarHBondContact O-CB 2.89Å; L278-F281 PolarHBondContact O-N 3.09Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.18Å; L278-L282 PolarHBondContact O-N 3Å |
| 279 | I | 86.9 | Confident | 83.5 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 19% | 0.19 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63 | -46.1 | 174.5 | -69.7 | 165.9 | 0 | 0 | 0 | 110.7 | A275 I276 F281 L282 F283 I449 L627 | A275-I279 WeakPolarHBondContact O-CG1 3.01Å; A275-I279 PolarHBondContact O-N 2.69Å; I276-I279 PolarHBondContact O-N 3.32Å; I279-F281 VanDerWaalsContact C-N 3.3Å; I279-F281 PolarHBondContact O-N 3.26Å; I279-L282 PolarHBondContact O-N 3.32Å; I279-F283 WeakPolarHBondContact O-CB 3.3Å; I279-F283 PolarHBondContact O-N 3.21Å; I279-I449 HydrophobicContact CG2-CD1 3.76Å; I279-I449 HydrophobicContact CG2-CG1 4.49Å; I279-L627 HydrophobicContact CD1-CD2 4.43Å |
| 280 | Q | 88.3 | Confident | 85 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.9 | -40.9 | 174.5 | -77.8 | 164.2 | 36.5 | 0 | 0 | 112.1 | F251 I276 L277 F283 Y284 L448 | F251-Q280 HydrophobicContact CE1-CB 4.41Å; F251-Q280 WeakPolarHBondContact CZ-O 3.37Å; I276-Q280 VanDerWaalsContact CG2-NE2 3.27Å; I276-Q280 PolarHBondContact O-N 3.29Å; L277-Q280 PolarHBondContact O-N 2.9Å; Q280-F283 PolarHBondContact O-N 3.07Å; Q280-Y284 HydrophobicContact CB-CD2 4.41Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.26Å; Q280-Y284 PolarHBondContact O-N 3.39Å; Q280-L448 HydrophobicContact CG-CB 4.11Å |
| 281 | F | 91.4 | Very high | 86.2 | Confident | 9 Ų | 9 | 25.3 Ų | 25.3 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.6 | -56.1 | 176 | -172.7 | -88.3 | 0 | 0 | 0 | 111 | E35 F39 F251 L277 L278 I279 F283 Y284 M285 | E35-F281 HydrophobicContact CB-CE1 4.19Å; E35-F281 HydrophobicContact CB-CZ 4.01Å; F39-F281 HydrophobicContact CB-CD2 4.2Å; F39-F281 HydrophobicContact CB-CE1 4.28Å; F39-F281 HydrophobicContact CB-CE2 3.67Å; F39-F281 HydrophobicContact CB-CZ 3.69Å; F39-F281 HydrophobicContact CD1-CB 4.44Å; F39-F281 AromaticContact CD1-CD2 3.79Å; F39-F281 HydrophobicContact CD1-CD2 3.79Å; F39-F281 HydrophobicContact CD1-CE2 4.15Å; F39-F281 HydrophobicContact CD1-CG 4.03Å; F39-F281 AromaticContact CD2-CD2 3.53Å; F39-F281 HydrophobicContact CD2-CD2 3.53Å; F39-F281 AromaticContact CD2-CE2 3.37Å; F39-F281 HydrophobicContact CD2-CE2 3.37Å; F39-F281 HydrophobicContact CD2-CZ 4.27Å; F39-F281 HydrophobicContact CE1-CB 4.26Å; F39-F281 AromaticContact CE1-CD2 3.99Å; F39-F281 HydrophobicContact CE1-CD2 3.99Å; F39-F281 HydrophobicContact CE1-CG 4.25Å; F39-F281 AromaticContact CE2-CD2 3.73Å; F39-F281 HydrophobicContact CE2-CD2 3.73Å; F39-F281 HydrophobicContact CE2-CE2 4Å; F39-F281 AromaticContact CG-CD2 3.55Å; F39-F281 HydrophobicContact CG-CD2 3.55Å; F39-F281 AromaticContact CG-CE2 3.44Å; F39-F281 HydrophobicContact CG-CE2 3.44Å; F39-F281 VanDerWaalsContact CG-CE2 3.44Å; F39-F281 HydrophobicContact CG-CG 4.16Å; F39-F281 AromaticContact CG-CZ 3.98Å; F39-F281 HydrophobicContact CG-CZ 3.98Å; F39-F281 AromaticContact CZ-CD2 3.95Å; F39-F281 HydrophobicContact CZ-CD2 3.95Å; F251-F281 HydrophobicContact CB-CD2 4.4Å; F251-F281 HydrophobicContact CB-CE2 4.48Å; F251-F281 HydrophobicContact CD1-CB 4.36Å; F251-F281 AromaticContact CD1-CD2 3.63Å; F251-F281 HydrophobicContact CD1-CD2 3.63Å; F251-F281 HydrophobicContact CD1-CE2 4.47Å; F251-F281 HydrophobicContact CD1-CG 4.48Å; F251-F281 HydrophobicContact CD2-CD2 4.02Å; F251-F281 HydrophobicContact CD2-CE2 4.32Å; F251-F281 VanDerWaalsContact CE1-CA 3.47Å; F251-F281 HydrophobicContact CE1-CB 3.86Å; F251-F281 AromaticContact CE1-CD2 3.88Å; F251-F281 HydrophobicContact CE1-CD2 3.88Å; F251-F281 HydrophobicContact CE1-CG 4.33Å; F251-F281 HydrophobicContact CE2-CD2 4.24Å; F251-F281 AromaticContact CG-CD2 3.73Å; F251-F281 HydrophobicContact CG-CD2 3.73Å; F251-F281 HydrophobicContact CG-CE2 4.16Å; F251-F281 HydrophobicContact CZ-CB 4.2Å; F251-F281 HydrophobicContact CZ-CD2 4.2Å; L277-F281 WeakPolarHBondContact O-CB 3.19Å; L277-F281 PolarHBondContact O-N 3.02Å; L278-F281 WeakPolarHBondContact O-CB 2.89Å; L278-F281 PolarHBondContact O-N 3.09Å; I279-F281 VanDerWaalsContact C-N 3.3Å; I279-F281 PolarHBondContact O-N 3.26Å; F281-F283 PolarHBondContact O-N 3.25Å; F281-F283 VanDerWaalsContact O-N 3.15Å; F281-Y284 PolarHBondContact O-N 3.44Å; F281-M285 HydrophobicContact CD1-CB 4.33Å; F281-M285 HydrophobicContact CD1-CG 4.25Å; F281-M285 HydrophobicContact CD2-CG 3.88Å; F281-M285 HydrophobicContact CE1-CB 4.13Å; F281-M285 HydrophobicContact CE1-CG 3.97Å; F281-M285 HydrophobicContact CE2-CG 3.57Å; F281-M285 HydrophobicContact CG-CG 4.22Å; F281-M285 HydrophobicContact CZ-CB 4.27Å; F281-M285 HydrophobicContact CZ-CG 3.63Å; F281-M285 WeakPolarHBondContact O-CA 3.11Å; F281-M285 WeakPolarHBondContact O-CB 3.37Å; F281-M285 PolarHBondContact O-N 3.19Å |
| 282 | L | 88.7 | Confident | 87.4 | Confident | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.199 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.4 | -37.3 | 177.4 | -71 | 174.1 | 0 | 0 | 0 | 111.9 | L32 L278 I279 G286 | L32-L282 HydrophobicContact CD1-CD2 3.75Å; L278-L282 VanDerWaalsContact O-CG 3.32Å; L278-L282 WeakPolarHBondContact O-CG 3.18Å; L278-L282 PolarHBondContact O-N 3Å; I279-L282 PolarHBondContact O-N 3.32Å; L282-G286 WeakPolarHBondContact O-CA 3.45Å; L282-G286 PolarHBondContact O-N 3.29Å |
| 283 | F | 85.9 | Confident | 88.3 | Confident | 5 Ų | 5 | 19.9 Ų | 19.9 | 2% | 0.022 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.4 | -62.1 | 178.8 | 175.3 | -99.9 | 0 | 0 | 0 | 113.4 | I279 Q280 F281 G286 W287 P450 V454 V616 A620 | I279-F283 WeakPolarHBondContact O-CB 3.3Å; I279-F283 PolarHBondContact O-N 3.21Å; Q280-F283 PolarHBondContact O-N 3.07Å; F281-F283 PolarHBondContact O-N 3.25Å; F281-F283 VanDerWaalsContact O-N 3.15Å; F283-G286 PolarHBondContact O-N 3.45Å; F283-W287 HydrophobicContact CE1-CE3 4.45Å; F283-W287 HydrophobicContact CZ-CE3 4.41Å; F283-W287 WeakPolarHBondContact O-CB 3.35Å; F283-W287 PolarHBondContact O-N 3.27Å; F283-P450 VanDerWaalsContact CE1-CD 3.41Å; F283-P450 HydrophobicContact CE1-CG 3.39Å; F283-P450 HydrophobicContact CZ-CG 3.59Å; F283-V454 HydrophobicContact CE1-CG2 4.23Å; F283-V454 HydrophobicContact CE2-CB 3.95Å; F283-V454 HydrophobicContact CE2-CG1 4.04Å; F283-V454 HydrophobicContact CE2-CG2 3.45Å; F283-V454 VanDerWaalsContact CE2-CG2 3.45Å; F283-V454 HydrophobicContact CZ-CB 3.99Å; F283-V454 HydrophobicContact CZ-CG2 3.16Å; F283-V616 HydrophobicContact CD2-CG1 4.4Å; F283-A620 HydrophobicContact CD2-CB 3.53Å; F283-A620 HydrophobicContact CE2-CB 3.42Å; F283-A620 VanDerWaalsContact CE2-CB 3.42Å |
| 284 | Y | 90 | Very high | 88.7 | Confident | 16 Ų | 16 | 14.4 Ų | 14.4 | 6% | 0.063 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.4 | -42.2 | -174.1 | -72.5 | -70.9 | 0 | 0 | 0 | 111.9 | L78 T79 F250 F251 Q280 F281 G286 W287 L288 P450 | L78-Y284 HydrophobicContact CB-CE1 4.23Å; L78-Y284 HydrophobicContact CD2-CD1 3.61Å; L78-Y284 HydrophobicContact CD2-CD2 4.26Å; L78-Y284 HydrophobicContact CD2-CE1 3.92Å; L78-Y284 HydrophobicContact CD2-CG 3.79Å; L78-Y284 HydrophobicContact CG-CD1 3.84Å; L78-Y284 HydrophobicContact CG-CE1 3.94Å; T79-Y284 PolarHBondContact OG1-OH 3Å; T79-Y284 VanDerWaalsContact OG1-OH 3.1Å; F250-Y284 HydrophobicContact CE1-CD2 4.19Å; F250-Y284 HydrophobicContact CE1-CE2 4.29Å; F250-Y284 HydrophobicContact CZ-CE2 4.45Å; F251-Y284 HydrophobicContact CZ-CD2 4.03Å; F251-Y284 HydrophobicContact CZ-CG 4.35Å; Q280-Y284 HydrophobicContact CB-CD2 4.41Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.26Å; Q280-Y284 PolarHBondContact O-N 3.39Å; F281-Y284 PolarHBondContact O-N 3.44Å; Y284-G286 VanDerWaalsContact C-N 3.34Å; Y284-W287 PolarHBondContact O-N 2.92Å; Y284-L288 PolarHBondContact O-N 3.46Å; Y284-P450 HydrophobicContact CE1-CG 4.2Å; Y284-P450 WeakPolarHBondContact OH-CD 3.36Å; Y284-P450 WeakPolarHBondContact OH-CG 3.48Å |
| 285 | M | 93.1 | Very high | 88.8 | Confident | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 172.8 | -71.2 | -63.2 | -63.9 | 0 | 0 | 110.9 | L32 E35 T247 F251 F281 W287 L288 K289 | L32-M285 HydrophobicContact CD2-CB 3.84Å; E35-M285 HydrophobicContact CG-CE 4.39Å; T247-M285 HydrophobicContact CG2-CG 4.43Å; T247-M285 HydrophobicContact CG2-SD 3.57Å; T247-M285 VanDerWaalsContact CG2-SD 3.57Å; F251-M285 HydrophobicContact CD2-CG 3.87Å; F251-M285 HydrophobicContact CD2-SD 4.13Å; F251-M285 HydrophobicContact CE2-CG 3.75Å; F251-M285 HydrophobicContact CE2-SD 4.36Å; F281-M285 HydrophobicContact CD1-CB 4.33Å; F281-M285 HydrophobicContact CD1-CG 4.25Å; F281-M285 HydrophobicContact CD2-CG 3.88Å; F281-M285 HydrophobicContact CE1-CB 4.13Å; F281-M285 HydrophobicContact CE1-CG 3.97Å; F281-M285 HydrophobicContact CE2-CG 3.57Å; F281-M285 HydrophobicContact CG-CG 4.22Å; F281-M285 HydrophobicContact CZ-CB 4.27Å; F281-M285 HydrophobicContact CZ-CG 3.63Å; F281-M285 WeakPolarHBondContact O-CA 3.11Å; F281-M285 WeakPolarHBondContact O-CB 3.37Å; F281-M285 PolarHBondContact O-N 3.19Å; M285-W287 VanDerWaalsContact C-N 3.33Å; M285-W287 PolarHBondContact O-N 3.32Å; M285-L288 HydrophobicContact CE-CD2 4.42Å; M285-L288 WeakPolarHBondContact O-CB 3.39Å; M285-L288 PolarHBondContact O-N 3.12Å; M285-L288 HydrophobicContact SD-CD2 4.21Å; M285-K289 WeakPolarHBondContact O-CB 3.27Å; M285-K289 WeakPolarHBondContact O-CG 3.28Å; M285-K289 PolarHBondContact O-N 3.05Å |
| 286 | G | 89.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L282 F283 Y284 L288 K289 V290 | L282-G286 WeakPolarHBondContact O-CA 3.45Å; L282-G286 PolarHBondContact O-N 3.29Å; F283-G286 PolarHBondContact O-N 3.45Å; Y284-G286 VanDerWaalsContact C-N 3.34Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 3.45Å; G286-K289 CarbonylContact O-C 3.44Å; G286-K289 PolarHBondContact O-N 3.34Å; G286-V290 VanDerWaalsContact O-CG2 3.31Å; G286-V290 WeakPolarHBondContact O-CG2 3.33Å; G286-V290 PolarHBondContact O-N 3.44Å |
| 287 | W | 89.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.8 | -34.8 | 178.1 | -150.3 | 13.8 | 0 | 0 | 0 | 112.2 | T79 M82 V86 F283 Y284 M285 V290 A291 V454 F457 Y613 V616 | T79-W287 HydrophobicContact CG2-CZ3 4.13Å; M82-W287 HydrophobicContact CB-CD2 4.25Å; M82-W287 HydrophobicContact CB-CE3 3.6Å; M82-W287 HydrophobicContact CB-CH2 4.48Å; M82-W287 HydrophobicContact CB-CZ3 3.73Å; M82-W287 HydrophobicContact CE-CB 3.98Å; M82-W287 HydrophobicContact CE-CG 4.44Å; M82-W287 HydrophobicContact CG-CE3 4.49Å; V86-W287 HydrophobicContact CG2-CD2 4.26Å; V86-W287 HydrophobicContact CG2-CG 3.95Å; V86-W287 WeakPolarHBondContact CG2-O 3.49Å; F283-W287 HydrophobicContact CE1-CE3 4.45Å; F283-W287 HydrophobicContact CZ-CE3 4.41Å; F283-W287 WeakPolarHBondContact O-CB 3.35Å; F283-W287 PolarHBondContact O-N 3.27Å; Y284-W287 PolarHBondContact O-N 2.92Å; M285-W287 VanDerWaalsContact C-N 3.33Å; M285-W287 PolarHBondContact O-N 3.32Å; W287-V290 WeakPolarHBondContact O-CB 3.27Å; W287-V290 PolarHBondContact O-N 3.44Å; W287-A291 PolarHBondContact O-N 3.47Å; W287-V454 HydrophobicContact CD2-CG2 3.78Å; W287-V454 HydrophobicContact CE3-CG2 3.49Å; W287-V454 VanDerWaalsContact CE3-CG2 3.49Å; W287-V454 HydrophobicContact CH2-CB 4.34Å; W287-V454 HydrophobicContact CH2-CG2 3.24Å; W287-V454 HydrophobicContact CZ2-CB 4.39Å; W287-V454 HydrophobicContact CZ2-CG2 3.51Å; W287-V454 HydrophobicContact CZ3-CG2 3.23Å; W287-F457 HydrophobicContact CH2-CD2 4.36Å; W287-F457 HydrophobicContact CZ2-CD2 4.36Å; W287-Y613 AromaticContact NE1-CE2 3.82Å; W287-V616 HydrophobicContact CB-CG1 4.23Å; W287-V616 HydrophobicContact CG-CG1 4.41Å |
| 288 | L | 93 | Very high | 88.9 | Confident | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 170.7 | -176.3 | 63.2 | 0 | 0 | 0 | 111.5 | M82 F85 V243 T247 Y284 M285 G286 V290 A291 E292 | M82-L288 HydrophobicContact CE-CB 3.6Å; M82-L288 HydrophobicContact CE-CD1 4.18Å; M82-L288 HydrophobicContact SD-CD1 4.42Å; F85-L288 HydrophobicContact CE1-CD1 4.47Å; V243-L288 HydrophobicContact CG1-CD1 4.08Å; T247-L288 HydrophobicContact CG2-CD2 4.04Å; Y284-L288 PolarHBondContact O-N 3.46Å; M285-L288 HydrophobicContact CE-CD2 4.42Å; M285-L288 WeakPolarHBondContact O-CB 3.39Å; M285-L288 PolarHBondContact O-N 3.12Å; M285-L288 HydrophobicContact SD-CD2 4.21Å; G286-L288 VanDerWaalsContact C-N 3.32Å; G286-L288 PolarHBondContact O-N 3.45Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.32Å; L288-A291 PolarHBondContact O-N 3.47Å; L288-A291 VanDerWaalsContact O-N 3.1Å; L288-E292 PolarHBondContact O-N 3.2Å |
| 289 | K | 91 | Very high | 88.6 | Confident | 20 Ų | 20 | 20.9 Ų | 20.9 | 9% | 0.087 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 175.9 | -72.7 | -54.6 | -170 | 179.5 | 0 | 113.2 | I31 L32 E35 M285 G286 A291 E292 V293 | I31-K289 HydrophobicContact CG2-CB 3.79Å; I31-K289 HydrophobicContact CG2-CD 3.81Å; I31-K289 HydrophobicContact CG2-CG 3.77Å; L32-K289 HydrophobicContact CD2-CB 4.34Å; L32-K289 HydrophobicContact CD2-CG 3.53Å; L32-K289 HydrophobicContact CG-CG 4.46Å; E35-K289 WeakPolarHBondContact OE1-CE 3.5Å; E35-K289 IonicContact OE1-NZ 3.34Å; E35-K289 PolarHBondContact OE1-NZ 3.36Å; M285-K289 WeakPolarHBondContact O-CB 3.27Å; M285-K289 WeakPolarHBondContact O-CG 3.28Å; M285-K289 PolarHBondContact O-N 3.05Å; G286-K289 CarbonylContact O-C 3.44Å; G286-K289 PolarHBondContact O-N 3.34Å; K289-A291 VanDerWaalsContact C-N 3.32Å; K289-A291 PolarHBondContact O-N 2.85Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 WeakPolarHBondContact CD-OE2 3.41Å; K289-E292 WeakPolarHBondContact CE-OE2 3.43Å; K289-E292 VanDerWaalsContact NZ-CD 3.32Å; K289-E292 IonicContact NZ-OE1 3.38Å; K289-E292 PolarHBondContact NZ-OE1 2.98Å; K289-E292 VanDerWaalsContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 2.66Å; K289-E292 PolarHBondContact NZ-OE2 3.44Å; K289-E292 PolarHBondContact O-N 3.48Å; K289-V293 WeakPolarHBondContact O-CG2 3.37Å; K289-V293 PolarHBondContact O-N 3.27Å |
| 290 | V | 89.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.2 | -48 | 169.4 | 172.4 | 0 | 0 | 0 | 0 | 109.9 | V86 G286 W287 L288 L294 V612 Y613 V616 | V86-V290 HydrophobicContact CG1-CG1 4.25Å; G286-V290 VanDerWaalsContact O-CG2 3.31Å; G286-V290 WeakPolarHBondContact O-CG2 3.33Å; G286-V290 PolarHBondContact O-N 3.44Å; W287-V290 WeakPolarHBondContact O-CB 3.27Å; W287-V290 PolarHBondContact O-N 3.44Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.32Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CD1 3.01Å; V290-L294 WeakPolarHBondContact O-CG 3.4Å; V290-L294 PolarHBondContact O-N 3.2Å; V290-V612 HydrophobicContact CG2-CB 4.26Å; V290-V612 HydrophobicContact CG2-CG1 3.95Å; V290-V612 HydrophobicContact CG2-CG2 3.68Å; V290-Y613 HydrophobicContact CG1-CD1 4.37Å; V290-Y613 HydrophobicContact CG1-CD2 4.34Å; V290-Y613 HydrophobicContact CG1-CG 3.96Å; V290-V616 HydrophobicContact CG2-CB 4.46Å; V290-V616 HydrophobicContact CG2-CG2 3.73Å |
| 291 | A | 90.9 | Very high | 88 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -67.2 | -39 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F85 V86 V89 W287 L288 K289 L294 I295 | F85-A291 HydrophobicContact CD1-CB 3.71Å; F85-A291 HydrophobicContact CE1-CB 3.39Å; F85-A291 HydrophobicContact CZ-CB 4.35Å; V86-A291 HydrophobicContact CG2-CB 3.94Å; V89-A291 HydrophobicContact CB-CB 4.39Å; V89-A291 HydrophobicContact CG1-CB 4.46Å; V89-A291 WeakPolarHBondContact CG1-O 3.47Å; V89-A291 HydrophobicContact CG2-CB 4.06Å; W287-A291 PolarHBondContact O-N 3.47Å; L288-A291 PolarHBondContact O-N 3.47Å; L288-A291 VanDerWaalsContact O-N 3.1Å; K289-A291 VanDerWaalsContact C-N 3.32Å; K289-A291 PolarHBondContact O-N 2.85Å; A291-L294 PolarHBondContact O-N 3.18Å; A291-I295 WeakPolarHBondContact O-CB 2.99Å; A291-I295 PolarHBondContact O-N 3.49Å |
| 292 | E | 89.3 | Confident | 87.6 | Confident | 103 Ų | 103 | 29.7 Ų | 29.7 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58 | -50 | 178 | -170.5 | 179.7 | 143.7 | 0 | 0 | 111.5 | L288 K289 L294 I295 | L288-E292 PolarHBondContact O-N 3.2Å; K289-E292 HydrophobicContact CD-CB 4.48Å; K289-E292 WeakPolarHBondContact CD-OE2 3.41Å; K289-E292 WeakPolarHBondContact CE-OE2 3.43Å; K289-E292 VanDerWaalsContact NZ-CD 3.32Å; K289-E292 IonicContact NZ-OE1 3.38Å; K289-E292 PolarHBondContact NZ-OE1 2.98Å; K289-E292 VanDerWaalsContact NZ-OE1 3.1Å; K289-E292 IonicContact NZ-OE2 2.66Å; K289-E292 PolarHBondContact NZ-OE2 3.44Å; K289-E292 PolarHBondContact O-N 3.48Å; E292-L294 VanDerWaalsContact C-N 3.28Å; E292-L294 PolarHBondContact O-N 2.86Å; E292-I295 WeakPolarHBondContact O-CG2 3.19Å; E292-I295 PolarHBondContact O-N 3.2Å |
| 293 | V | 86.6 | Confident | 87.2 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 4% | 0.036 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -32.3 | 179 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | I31 K289 D301 D303 | I31-V293 HydrophobicContact CD1-CG2 3.93Å; K289-V293 WeakPolarHBondContact O-CG2 3.37Å; K289-V293 PolarHBondContact O-N 3.27Å; V293-D301 HydrophobicContact CG1-CB 4.16Å; V293-D303 HydrophobicContact CG1-CB 3.77Å |
| 294 | L | 90 | Very high | 87.2 | Confident | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -86.3 | -14.8 | -176.7 | -62.4 | 176.3 | 0 | 0 | 0 | 114.6 | V89 Y90 W93 V290 A291 E292 I296 P610 | V89-L294 HydrophobicContact CG1-CB 3.68Å; Y90-L294 HydrophobicContact CD2-CD1 4.16Å; W93-L294 HydrophobicContact CB-CB 4.26Å; W93-L294 VanDerWaalsContact CD1-CD2 3.48Å; W93-L294 HydrophobicContact CD2-CD2 4.07Å; W93-L294 HydrophobicContact CG-CB 4.25Å; W93-L294 HydrophobicContact CG-CD2 3.9Å; V290-L294 HydrophobicContact CG1-CD1 3.86Å; V290-L294 WeakPolarHBondContact O-CB 3.24Å; V290-L294 WeakPolarHBondContact O-CD1 3.01Å; V290-L294 WeakPolarHBondContact O-CG 3.4Å; V290-L294 PolarHBondContact O-N 3.2Å; A291-L294 PolarHBondContact O-N 3.18Å; E292-L294 VanDerWaalsContact C-N 3.28Å; E292-L294 PolarHBondContact O-N 2.86Å; L294-I296 VanDerWaalsContact C-N 3.32Å; L294-I296 PolarHBondContact O-N 2.98Å; L294-P610 HydrophobicContact CD1-CG 3.99Å; L294-P610 HydrophobicContact CD2-CB 4.08Å; L294-P610 HydrophobicContact CD2-CG 3.31Å; L294-P610 HydrophobicContact CG-CG 4.2Å |
| 295 | I | 86.7 | Confident | 87.1 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 22% | 0.221 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.2 | -29.3 | -175.8 | -157.5 | 168.3 | 0 | 0 | 0 | 112.3 | F85 V89 L235 A291 E292 | F85-I295 HydrophobicContact CZ-CD1 4.47Å; V89-I295 HydrophobicContact CG1-CB 4.18Å; L235-I295 HydrophobicContact CB-CD1 4.44Å; L235-I295 HydrophobicContact CD1-CD1 4.13Å; L235-I295 HydrophobicContact CD1-CG1 4.2Å; A291-I295 WeakPolarHBondContact O-CB 2.99Å; A291-I295 PolarHBondContact O-N 3.49Å; E292-I295 WeakPolarHBondContact O-CG2 3.19Å; E292-I295 PolarHBondContact O-N 3.2Å |
| 296 | I | 83.8 | Confident | 86.8 | Confident | 113 Ų | 113 | 30.2 Ų | 30.2 | 58% | 0.579 | 15% | 0.154 | S | C | * | . | trans | -126.2 | 77.6 | 179.5 | -56.2 | 168.4 | 0 | 0 | 0 | 109.3 | L294 F298 G299 | L294-I296 VanDerWaalsContact C-N 3.32Å; L294-I296 PolarHBondContact O-N 2.98Å; I296-F298 PolarHBondContact O-N 3.36Å; I296-G299 PolarHBondContact O-N 3.27Å | ||
| 297 | P | 87.7 | Confident | 86.7 | Confident | 5 Ų | 5 | 30.3 Ų | 30.3 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 4.2 | -175.5 | 29.3 | -36 | 0 | 0 | 0 | 115.5 | N96 D304 F305 | N96-P297 HydrophobicContact CB-CG 4.13Å; P297-D304 VanDerWaalsContact C-OD1 3.26Å; P297-D304 WeakPolarHBondContact CA-OD1 3.44Å; P297-F305 HydrophobicContact CB-CD2 3.78Å; P297-F305 HydrophobicContact CB-CE1 4.36Å; P297-F305 HydrophobicContact CB-CE2 3.44Å; P297-F305 VanDerWaalsContact CB-CE2 3.44Å; P297-F305 HydrophobicContact CB-CG 4.36Å; P297-F305 HydrophobicContact CB-CZ 3.72Å; P297-F305 HydrophobicContact CG-CD2 4.34Å; P297-F305 HydrophobicContact CG-CE2 3.82Å; P297-F305 HydrophobicContact CG-CZ 4.38Å; P297-F305 PolarHBondContact O-N 2.87Å |
| 298 | F | 85.7 | Confident | 86.7 | Confident | 13 Ų | 13 | 32.5 Ų | 32.5 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 13.3 | -174.8 | -60 | -73.5 | 0 | 0 | 0 | 112.3 | N96 L100 S144 L227 I296 F305 I307 | N96-F298 HydrophobicContact CB-CE2 4.2Å; N96-F298 HydrophobicContact CB-CZ 4.15Å; L100-F298 HydrophobicContact CD2-CE1 3.93Å; S144-F298 PolarHBondContact OG-O 3.44Å; L227-F298 HydrophobicContact CD2-CZ 3.77Å; I296-F298 PolarHBondContact O-N 3.36Å; F298-F305 HydrophobicContact CD1-CD2 4.45Å; F298-F305 HydrophobicContact CE1-CD2 4.06Å; F298-F305 HydrophobicContact CZ-CD2 4.4Å; F298-I307 HydrophobicContact CD1-CD1 3.71Å; F298-I307 HydrophobicContact CD1-CG1 3.89Å; F298-I307 HydrophobicContact CE1-CD1 3.89Å |
| 299 | G | 82.7 | Confident | 86.5 | Confident | 17 Ų | 17 | 36.2 Ų | 36.2 | 18% | 0.175 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -84.6 | -143.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V146 I296 D304 | V146-G299 WeakPolarHBondContact CG2-O 3.31Å; I296-G299 PolarHBondContact O-N 3.27Å; G299-D304 WeakPolarHBondContact CA-OD2 3.38Å; G299-D304 PolarHBondContact N-OD2 3.05Å |
| 300 | E | 81.2 | Confident | 86.5 | Confident | 109 Ų | 109 | 35.2 Ų | 35.2 | 51% | 0.509 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -124.6 | 8.9 | -175.5 | -74.7 | 173.2 | -155.5 | 0 | 0 | 113.5 | V146 K149 D304 | V146-E300 HydrophobicContact CG2-CG 3.35Å; K149-E300 WeakPolarHBondContact CD-OE1 3.1Å; K149-E300 WeakPolarHBondContact CE-OE1 2.99Å; K149-E300 IonicContact NZ-OE1 2.82Å; K149-E300 PolarHBondContact NZ-OE1 3.4Å; K149-E300 IonicContact NZ-OE2 2.97Å; K149-E300 PolarHBondContact NZ-OE2 2.96Å; E300-D304 PolarHBondContact N-OD2 3.33Å |
| 301 | D | 82.4 | Confident | 86.5 | Confident | 88 Ų | 88 | 35.4 Ų | 35.4 | 47% | 0.471 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -72.5 | 162.4 | 178.6 | -69.8 | -32.1 | 0 | 0 | 0 | 111.4 | V293 D303 D304 | V293-D301 HydrophobicContact CG1-CB 4.16Å; D301-D303 PolarHBondContact O-N 2.85Å; D301-D304 PolarHBondContact N-OD2 3.39Å; D301-D304 WeakPolarHBondContact O-CB 3.17Å; D301-D304 PolarHBondContact O-N 2.93Å |
| 302 | D | 81.4 | Confident | 86.5 | Confident | 35 Ų | 35 | 38 Ų | 38 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27 | -175.8 | -71.6 | -20.7 | 0 | 0 | 0 | 112.8 | I3 G26 K30 | I3-D302 HydrophobicContact CD1-CB 4.15Å; G26-D302 WeakPolarHBondContact CA-OD2 3.33Å; G26-D302 PolarHBondContact N-OD2 3.17Å; K30-D302 IonicContact NZ-OD1 2.91Å; K30-D302 PolarHBondContact NZ-OD1 3.44Å; K30-D302 IonicContact NZ-OD2 3.27Å; K30-D302 PolarHBondContact NZ-OD2 3.24Å |
| 303 | D | 81.5 | Confident | 86.5 | Confident | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 0.1 | -178.6 | -64.6 | -78.3 | 0 | 0 | 0 | 113.5 | V293 D301 | V293-D303 HydrophobicContact CG1-CB 3.77Å; D301-D303 PolarHBondContact O-N 2.85Å |
| 304 | D | 85.2 | Confident | 86.9 | Confident | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -70.4 | 156.4 | 179 | -76.4 | -29.9 | 0 | 0 | 0 | 112.7 | T2 P297 G299 E300 D301 | T2-D304 PolarHBondContact OG1-O 3.3Å; T2-D304 VanDerWaalsContact OG1-O 3.11Å; P297-D304 VanDerWaalsContact C-OD1 3.26Å; P297-D304 WeakPolarHBondContact CA-OD1 3.44Å; G299-D304 WeakPolarHBondContact CA-OD2 3.38Å; G299-D304 PolarHBondContact N-OD2 3.05Å; E300-D304 PolarHBondContact N-OD2 3.33Å; D301-D304 PolarHBondContact N-OD2 3.39Å; D301-D304 WeakPolarHBondContact O-CB 3.17Å; D301-D304 PolarHBondContact O-N 2.93Å |
| 305 | F | 88.8 | Confident | 87 | Confident | 10 Ų | 10 | 34.8 Ų | 34.8 | 4% | 0.044 | 18% | 0.177 | C | C | . | . | trans | -70.6 | 135.6 | 179.2 | -58 | -31 | 0 | 0 | 0 | 111 | W93 N96 F97 L100 P297 F298 I307 V607 | W93-F305 HydrophobicContact CD2-CE1 4.43Å; W93-F305 HydrophobicContact CD2-CZ 4.2Å; W93-F305 AromaticContact CE2-CE1 3.54Å; W93-F305 AromaticContact CE2-CZ 3.7Å; W93-F305 HydrophobicContact CG-CZ 4.36Å; W93-F305 HydrophobicContact CH2-CE1 4.47Å; W93-F305 AromaticContact CZ2-CE1 3.57Å; W93-F305 HydrophobicContact CZ2-CE1 3.57Å; W93-F305 HydrophobicContact CZ2-CZ 4.15Å; W93-F305 AromaticContact NE1-CE1 3.54Å; W93-F305 AromaticContact NE1-CZ 3.57Å; N96-F305 HydrophobicContact CB-CE2 4.25Å; F97-F305 HydrophobicContact CB-CE1 4.02Å; F97-F305 HydrophobicContact CB-CE2 3.93Å; F97-F305 HydrophobicContact CB-CZ 3.47Å; F97-F305 VanDerWaalsContact CB-CZ 3.47Å; F97-F305 AromaticContact CD2-CD1 3.98Å; F97-F305 HydrophobicContact CD2-CD1 3.98Å; F97-F305 AromaticContact CD2-CE1 3.72Å; F97-F305 HydrophobicContact CD2-CE1 3.72Å; F97-F305 HydrophobicContact CD2-CE2 4.34Å; F97-F305 HydrophobicContact CD2-CG 4.43Å; F97-F305 AromaticContact CD2-CZ 3.95Å; F97-F305 HydrophobicContact CD2-CZ 3.95Å; F97-F305 HydrophobicContact CG-CE1 4.19Å; F97-F305 HydrophobicContact CG-CZ 4.13Å; L100-F305 HydrophobicContact CD1-CD2 3.96Å; L100-F305 HydrophobicContact CD1-CE2 4.5Å; L100-F305 HydrophobicContact CD1-CG 4.28Å; P297-F305 HydrophobicContact CB-CD2 3.78Å; P297-F305 HydrophobicContact CB-CE1 4.36Å; P297-F305 HydrophobicContact CB-CE2 3.44Å; P297-F305 VanDerWaalsContact CB-CE2 3.44Å; P297-F305 HydrophobicContact CB-CG 4.36Å; P297-F305 HydrophobicContact CB-CZ 3.72Å; P297-F305 HydrophobicContact CG-CD2 4.34Å; P297-F305 HydrophobicContact CG-CE2 3.82Å; P297-F305 HydrophobicContact CG-CZ 4.38Å; P297-F305 PolarHBondContact O-N 2.87Å; F298-F305 HydrophobicContact CD1-CD2 4.45Å; F298-F305 HydrophobicContact CE1-CD2 4.06Å; F298-F305 HydrophobicContact CZ-CD2 4.4Å; F305-I307 VanDerWaalsContact C-N 3.29Å; F305-I307 HydrophobicContact CB-CD1 3.55Å; F305-I307 HydrophobicContact CB-CG1 4.38Å; F305-I307 WeakPolarHBondContact O-CG1 3.44Å; F305-I307 PolarHBondContact O-N 3.12Å; F305-V607 HydrophobicContact CD1-CG1 4.2Å; F305-V607 HydrophobicContact CE1-CG1 3.93Å | ||
| 306 | E | 86.1 | Confident | 87.2 | Confident | 47 Ų | 47 | 36 Ų | 36 | 22% | 0.22 | 18% | 0.182 | C | C | . | . | trans | -77.5 | 74.9 | 178.1 | -59.8 | -169.9 | -167.7 | 0 | 0 | 112.5 | M1 T2 N308 Y309 I310 W606 | M1-E306 VanDerWaalsContact C-OE1 3.27Å; M1-E306 WeakPolarHBondContact CA-OE1 3.47Å; M1-E306 WeakPolarHBondContact CB-OE1 3.16Å; M1-E306 VanDerWaalsContact CG-OE1 3.3Å; M1-E306 WeakPolarHBondContact CG-OE1 3.36Å; T2-E306 PolarHBondContact N-OE1 2.91Å; E306-N308 PolarHBondContact O-N 3.18Å; E306-Y309 PolarHBondContact O-N 3.36Å; E306-I310 PolarHBondContact O-N 2.81Å; E306-W606 HydrophobicContact CB-CH2 3.97Å; E306-W606 HydrophobicContact CB-CZ2 3.81Å; E306-W606 HydrophobicContact CG-CZ2 4.15Å | ||
| 307 | I | 88.3 | Confident | 87.5 | Confident | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.4 | -35.1 | -173.3 | -51.6 | -52.1 | 0 | 0 | 0 | 112.8 | L100 L140 V147 F298 F305 Y309 I310 V311 | L100-I307 HydrophobicContact CD2-CD1 3.8Å; L140-I307 HydrophobicContact CB-CG2 4.04Å; L140-I307 HydrophobicContact CD1-CG2 3.82Å; L140-I307 HydrophobicContact CD2-CG2 3.76Å; L140-I307 HydrophobicContact CG-CG2 4.07Å; V147-I307 HydrophobicContact CG2-CB 3.81Å; V147-I307 HydrophobicContact CG2-CG2 3.33Å; F298-I307 HydrophobicContact CD1-CD1 3.71Å; F298-I307 HydrophobicContact CD1-CG1 3.89Å; F298-I307 HydrophobicContact CE1-CD1 3.89Å; F305-I307 VanDerWaalsContact C-N 3.29Å; F305-I307 HydrophobicContact CB-CD1 3.55Å; F305-I307 HydrophobicContact CB-CG1 4.38Å; F305-I307 WeakPolarHBondContact O-CG1 3.44Å; F305-I307 PolarHBondContact O-N 3.12Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 2.92Å; I307-I310 HydrophobicContact CD1-CD1 4.15Å; I307-I310 WeakPolarHBondContact O-CB 3.4Å; I307-I310 PolarHBondContact O-N 3.44Å; I307-I310 VanDerWaalsContact O-N 3.14Å; I307-V311 HydrophobicContact CG2-CG2 4.49Å; I307-V311 WeakPolarHBondContact O-CG2 3.21Å; I307-V311 PolarHBondContact O-N 3.04Å |
| 308 | N | 89.3 | Confident | 87.8 | Confident | 45 Ų | 45 | 30.4 Ų | 30.4 | 24% | 0.241 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 176.1 | -87.3 | -22.5 | 0 | 0 | 0 | 111.8 | V146 R150 E306 I310 V311 D312 | V146-N308 WeakPolarHBondContact CG1-ND2 3.42Å; R150-N308 WeakPolarHBondContact CD-OD1 3.19Å; R150-N308 PolarHBondContact NH1-O 2.99Å; E306-N308 PolarHBondContact O-N 3.18Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.4Å; N308-V311 PolarHBondContact O-N 3.39Å; N308-D312 PolarHBondContact O-N 2.93Å; N308-D312 VanDerWaalsContact O-OD2 3.13Å |
| 309 | Y | 88.5 | Confident | 88.1 | Confident | 84 Ų | 84 | 31.9 Ų | 31.9 | 33% | 0.329 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 173.8 | 166.8 | -99.2 | 0 | 0 | 0 | 111.1 | E306 I307 V311 D312 R313 W606 | E306-Y309 PolarHBondContact O-N 3.36Å; I307-Y309 VanDerWaalsContact C-N 3.33Å; I307-Y309 PolarHBondContact O-N 2.92Å; Y309-V311 VanDerWaalsContact C-N 3.33Å; Y309-V311 PolarHBondContact O-N 3.49Å; Y309-D312 PolarHBondContact O-N 3.49Å; Y309-R313 HydrophobicContact CE1-CB 4.38Å; Y309-R313 HydrophobicContact CE2-CB 4.23Å; Y309-R313 WeakPolarHBondContact O-CB 3.11Å; Y309-R313 PolarHBondContact O-N 2.6Å; Y309-W606 AromaticContact CD1-CH2 3.43Å; Y309-W606 HydrophobicContact CD1-CH2 3.43Å; Y309-W606 VanDerWaalsContact CD1-CH2 3.43Å; Y309-W606 AromaticContact CD1-CZ2 3.59Å; Y309-W606 HydrophobicContact CD1-CZ2 3.59Å; Y309-W606 HydrophobicContact CD1-CZ3 4.27Å; Y309-W606 AromaticContact CE1-CH2 3.85Å; Y309-W606 HydrophobicContact CE1-CH2 3.85Å; Y309-W606 AromaticContact CE1-CZ2 3.94Å; Y309-W606 HydrophobicContact CE1-CZ2 3.94Å; Y309-W606 HydrophobicContact CE1-CZ3 4.32Å; Y309-W606 HydrophobicContact CG-CH2 4.5Å; Y309-W606 HydrophobicContact CG-CZ2 4.42Å |
| 310 | I | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | 178 | -65.9 | 170.1 | 0 | 0 | 0 | 111.2 | L100 W102 E306 I307 N308 N314 W606 | L100-I310 HydrophobicContact CD1-CD1 3.75Å; L100-I310 HydrophobicContact CD2-CD1 4.24Å; L100-I310 HydrophobicContact CG-CD1 4.46Å; W102-I310 HydrophobicContact CH2-CD1 4.49Å; W102-I310 HydrophobicContact CH2-CG1 4.01Å; W102-I310 HydrophobicContact CZ2-CD1 4.24Å; W102-I310 HydrophobicContact CZ2-CG1 4.24Å; E306-I310 PolarHBondContact O-N 2.81Å; I307-I310 HydrophobicContact CD1-CD1 4.15Å; I307-I310 WeakPolarHBondContact O-CB 3.4Å; I307-I310 PolarHBondContact O-N 3.44Å; I307-I310 VanDerWaalsContact O-N 3.14Å; N308-I310 VanDerWaalsContact C-N 3.32Å; N308-I310 PolarHBondContact O-N 3.4Å; I310-N314 WeakPolarHBondContact O-CB 3.49Å; I310-N314 VanDerWaalsContact O-CG 3.23Å; I310-N314 PolarHBondContact O-N 2.87Å; I310-N314 PolarHBondContact O-ND2 2.77Å; I310-W606 HydrophobicContact CD1-CH2 4.38Å; I310-W606 HydrophobicContact CD1-CZ3 4.28Å; I310-W606 HydrophobicContact CG1-CH2 4.11Å; I310-W606 HydrophobicContact CG1-CZ3 4.21Å |
| 311 | V | 90.1 | Very high | 89 | Confident | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.024 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.8 | -52.3 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | V137 L140 F151 I307 N308 Y309 R313 N314 V315 | V137-V311 HydrophobicContact CG2-CG1 3.75Å; V137-V311 HydrophobicContact CG2-CG2 4.19Å; L140-V311 HydrophobicContact CD1-CG2 3.84Å; F151-V311 HydrophobicContact CE2-CG1 4.19Å; F151-V311 HydrophobicContact CZ-CG1 4.44Å; I307-V311 HydrophobicContact CG2-CG2 4.49Å; I307-V311 WeakPolarHBondContact O-CG2 3.21Å; I307-V311 PolarHBondContact O-N 3.04Å; N308-V311 PolarHBondContact O-N 3.39Å; Y309-V311 VanDerWaalsContact C-N 3.33Å; Y309-V311 PolarHBondContact O-N 3.49Å; V311-R313 PolarHBondContact O-N 3.05Å; V311-N314 PolarHBondContact O-N 3.44Å; V311-V315 WeakPolarHBondContact O-CG2 3.41Å; V311-V315 PolarHBondContact O-N 2.83Å |
| 312 | D | 90.7 | Very high | 89.5 | Confident | 54 Ų | 54 | 22 Ų | 22 | 29% | 0.289 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -60.5 | -49.7 | -178.7 | -73.7 | -37.8 | 0 | 0 | 0 | 112 | R150 N308 Y309 N314 V315 Q316 | R150-D312 IonicContact CZ-OD1 3.3Å; R150-D312 VanDerWaalsContact CZ-OD1 3.29Å; R150-D312 IonicContact CZ-OD2 3.88Å; R150-D312 IonicContact NH1-OD1 2.78Å; R150-D312 PolarHBondContact NH1-OD1 3.25Å; R150-D312 IonicContact NH1-OD2 3.17Å; R150-D312 PolarHBondContact NH1-OD2 3.13Å; R150-D312 IonicContact NH2-OD1 2.69Å; R150-D312 PolarHBondContact NH2-OD1 2.8Å; R150-D312 IonicContact NH2-OD2 2.72Å; N308-D312 PolarHBondContact O-N 2.93Å; N308-D312 VanDerWaalsContact O-OD2 3.13Å; Y309-D312 PolarHBondContact O-N 3.49Å; D312-N314 VanDerWaalsContact C-N 3.33Å; D312-N314 PolarHBondContact O-N 2.65Å; D312-V315 PolarHBondContact O-N 3.27Å; D312-Q316 WeakPolarHBondContact O-CB 3.47Å; D312-Q316 WeakPolarHBondContact O-CG 3.4Å; D312-Q316 PolarHBondContact O-N 2.97Å |
| 313 | R | 90.8 | Very high | 89.9 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 6% | 0.057 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 179 | -179 | -85.4 | -176.9 | -168.5 | -3.1 | 110.7 | D104 Y309 V311 V317 | D104-R313 IonicContact OD1-CZ 3.72Å; D104-R313 IonicContact OD1-NH1 3.3Å; D104-R313 PolarHBondContact OD1-NH1 2.7Å; D104-R313 IonicContact OD1-NH2 2.9Å; D104-R313 PolarHBondContact OD1-NH2 3.46Å; D104-R313 IonicContact OD2-CZ 2.62Å; D104-R313 IonicContact OD2-NH1 2.65Å; D104-R313 IonicContact OD2-NH2 3.65Å; D104-R313 PolarHBondContact OD2-NH2 3.12Å; Y309-R313 HydrophobicContact CE1-CB 4.38Å; Y309-R313 HydrophobicContact CE2-CB 4.23Å; Y309-R313 WeakPolarHBondContact O-CB 3.11Å; Y309-R313 PolarHBondContact O-N 2.6Å; V311-R313 PolarHBondContact O-N 3.05Å; R313-V317 HydrophobicContact CG-CG2 4.22Å; R313-V317 VanDerWaalsContact O-CB 3.24Å; R313-V317 WeakPolarHBondContact O-CB 3.21Å; R313-V317 VanDerWaalsContact O-CG2 3.24Å; R313-V317 WeakPolarHBondContact O-CG2 3.23Å; R313-V317 PolarHBondContact O-N 2.8Å |
| 314 | N | 93.9 | Very high | 90.1 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.6 | -48.6 | -179.8 | -80.8 | -14 | 0 | 0 | 0 | 111 | P101 I103 N133 I310 V311 D312 Q316 S318 | P101-N314 PolarHBondContact O-ND2 3.01Å; I103-N314 HydrophobicContact CD1-CB 3.87Å; I103-N314 WeakPolarHBondContact CD1-O 3.49Å; I103-N314 HydrophobicContact CG1-CB 3.91Å; N133-N314 WeakPolarHBondContact OD1-CB 3.43Å; I310-N314 WeakPolarHBondContact O-CB 3.49Å; I310-N314 VanDerWaalsContact O-CG 3.23Å; I310-N314 PolarHBondContact O-N 2.87Å; I310-N314 PolarHBondContact O-ND2 2.77Å; V311-N314 PolarHBondContact O-N 3.44Å; D312-N314 VanDerWaalsContact C-N 3.33Å; D312-N314 PolarHBondContact O-N 2.65Å; N314-Q316 PolarHBondContact O-N 2.98Å; N314-S318 WeakPolarHBondContact O-CB 3.46Å; N314-S318 PolarHBondContact O-N 3.3Å; N314-S318 PolarHBondContact O-OG 3.47Å |
| 315 | V | 92.7 | Very high | 90.1 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 16% | 0.164 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | 177.8 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | N133 V311 D312 S318 Y319 | N133-V315 HydrophobicContact CB-CG2 4.11Å; N133-V315 PolarHBondContact OD1-N 3.1Å; V311-V315 WeakPolarHBondContact O-CG2 3.41Å; V311-V315 PolarHBondContact O-N 2.83Å; D312-V315 PolarHBondContact O-N 3.27Å; V315-S318 PolarHBondContact O-N 3.15Å; V315-S318 PolarHBondContact O-OG 3.42Å; V315-Y319 HydrophobicContact CG1-CD2 3.92Å; V315-Y319 HydrophobicContact CG1-CE2 3.6Å; V315-Y319 WeakPolarHBondContact O-CD2 3.41Å; V315-Y319 PolarHBondContact O-N 3.46Å |
| 316 | Q | 90.7 | Very high | 90.1 | Very high | 68 Ų | 68 | 25.2 Ų | 25.2 | 32% | 0.318 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -60.2 | -57.3 | 179.4 | -69.9 | 170.4 | 25.9 | 0 | 0 | 111.7 | D312 N314 S318 Y319 L320 V555 | D312-Q316 WeakPolarHBondContact O-CB 3.47Å; D312-Q316 WeakPolarHBondContact O-CG 3.4Å; D312-Q316 PolarHBondContact O-N 2.97Å; N314-Q316 PolarHBondContact O-N 2.98Å; Q316-S318 PolarHBondContact O-N 3.38Å; Q316-Y319 PolarHBondContact O-N 2.88Å; Q316-L320 VanDerWaalsContact O-CG 3.29Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; Q316-L320 PolarHBondContact O-N 2.81Å; Q316-V555 HydrophobicContact CB-CG2 4.42Å |
| 317 | V | 88.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.6 | -34.5 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | D104 R313 L320 M321 V555 W559 | D104-V317 HydrophobicContact CB-CG1 4.17Å; R313-V317 HydrophobicContact CG-CG2 4.22Å; R313-V317 VanDerWaalsContact O-CB 3.24Å; R313-V317 WeakPolarHBondContact O-CB 3.21Å; R313-V317 VanDerWaalsContact O-CG2 3.24Å; R313-V317 WeakPolarHBondContact O-CG2 3.23Å; R313-V317 PolarHBondContact O-N 2.8Å; V317-L320 PolarHBondContact O-N 3.1Å; V317-M321 HydrophobicContact CG1-CE 3.72Å; V317-M321 HydrophobicContact CG1-CG 4.26Å; V317-M321 HydrophobicContact CG1-SD 3.8Å; V317-M321 WeakPolarHBondContact O-CB 3.37Å; V317-M321 VanDerWaalsContact O-CG 3.31Å; V317-M321 WeakPolarHBondContact O-CG 3.34Å; V317-M321 PolarHBondContact O-N 2.92Å; V317-V555 HydrophobicContact CG2-CG1 3.87Å; V317-W559 HydrophobicContact CG1-CZ2 4.21Å |
| 318 | S | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.5 | -48.9 | 177.6 | 72.1 | 0 | 0 | 0 | 0 | 113.2 | N133 N314 V315 Q316 L320 M321 V322 | N133-S318 PolarHBondContact ND2-OG 3.34Å; N314-S318 WeakPolarHBondContact O-CB 3.46Å; N314-S318 PolarHBondContact O-N 3.3Å; N314-S318 PolarHBondContact O-OG 3.47Å; V315-S318 PolarHBondContact O-N 3.15Å; V315-S318 PolarHBondContact O-OG 3.42Å; Q316-S318 PolarHBondContact O-N 3.38Å; S318-L320 VanDerWaalsContact C-N 3.34Å; S318-M321 PolarHBondContact O-N 3.36Å; S318-V322 WeakPolarHBondContact O-CG1 3.49Å; S318-V322 VanDerWaalsContact O-CG2 3.25Å; S318-V322 WeakPolarHBondContact O-CG2 3.5Å; S318-V322 PolarHBondContact O-N 3.41Å; S318-V322 VanDerWaalsContact O-N 3.1Å |
| 319 | Y | 93.6 | Very high | 89.6 | Confident | 44 Ų | 44 | 31 Ų | 31 | 17% | 0.173 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -67.8 | -36.7 | 178.3 | -68.6 | -46.1 | 0 | 0 | 0 | 111.7 | R126 A129 R130 V315 Q316 M321 D323 | R126-Y319 HydrophobicContact CB-CE1 4.34Å; R126-Y319 HydrophobicContact CG-CD1 4.38Å; A129-Y319 HydrophobicContact CB-CE1 4.39Å; R130-Y319 WeakPolarHBondContact CD-OH 3.47Å; V315-Y319 HydrophobicContact CG1-CD2 3.92Å; V315-Y319 HydrophobicContact CG1-CE2 3.6Å; V315-Y319 WeakPolarHBondContact O-CD2 3.41Å; V315-Y319 PolarHBondContact O-N 3.46Å; Q316-Y319 PolarHBondContact O-N 2.88Å; Y319-M321 PolarHBondContact O-N 2.95Å; Y319-D323 WeakPolarHBondContact O-CA 3.34Å; Y319-D323 WeakPolarHBondContact O-CB 3.2Å; Y319-D323 PolarHBondContact O-N 2.96Å |
| 320 | L | 90.3 | Very high | 89.5 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -56.4 | -50.7 | 172.8 | -69 | 178.6 | 0 | 0 | 0 | 112 | Q316 V317 S318 D324 Y325 Y551 V555 W559 | Q316-L320 VanDerWaalsContact O-CG 3.29Å; Q316-L320 WeakPolarHBondContact O-CG 3.35Å; Q316-L320 PolarHBondContact O-N 2.81Å; V317-L320 PolarHBondContact O-N 3.1Å; S318-L320 VanDerWaalsContact C-N 3.34Å; L320-D324 HydrophobicContact CD2-CB 4.17Å; L320-D324 VanDerWaalsContact CD2-OD2 3.27Å; L320-D324 WeakPolarHBondContact CD2-OD2 3.23Å; L320-D324 PolarHBondContact O-N 3.39Å; L320-Y325 HydrophobicContact CB-CD2 4.04Å; L320-Y325 HydrophobicContact CB-CE2 4.16Å; L320-Y325 HydrophobicContact CD2-CE2 4.31Å; L320-Y325 VanDerWaalsContact O-CD2 3.31Å; L320-Y325 WeakPolarHBondContact O-CD2 3.42Å; L320-Y325 PolarHBondContact O-N 3.41Å; L320-Y551 HydrophobicContact CD2-CE1 3.63Å; L320-Y551 HydrophobicContact CD2-CE2 3.97Å; L320-Y551 WeakPolarHBondContact CD2-OH 3.45Å; L320-V555 HydrophobicContact CD1-CG1 3.97Å; L320-V555 HydrophobicContact CD1-CG2 4.17Å; L320-W559 HydrophobicContact CB-CH2 3.93Å; L320-W559 HydrophobicContact CB-CZ2 4.26Å; L320-W559 HydrophobicContact CD1-CH2 4.38Å; L320-W559 HydrophobicContact CD1-CZ2 3.97Å |
| 321 | M | 91.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -67 | -42.3 | -176.1 | -73.8 | 177.2 | 165.8 | 0 | 0 | 112.9 | D104 M107 I108 V317 S318 Y319 W559 | D104-M321 HydrophobicContact CB-CE 3.5Å; D104-M321 VanDerWaalsContact CB-CE 3.5Å; D104-M321 HydrophobicContact CB-SD 3.64Å; M107-M321 HydrophobicContact CB-CB 4.03Å; M107-M321 HydrophobicContact CB-SD 3.83Å; I108-M321 HydrophobicContact CD1-CE 4.05Å; I108-M321 HydrophobicContact CD1-SD 4.45Å; I108-M321 HydrophobicContact CG1-CE 3.92Å; I108-M321 HydrophobicContact CG1-SD 3.75Å; V317-M321 HydrophobicContact CG1-CE 3.72Å; V317-M321 HydrophobicContact CG1-CG 4.26Å; V317-M321 HydrophobicContact CG1-SD 3.8Å; V317-M321 WeakPolarHBondContact O-CB 3.37Å; V317-M321 VanDerWaalsContact O-CG 3.31Å; V317-M321 WeakPolarHBondContact O-CG 3.34Å; V317-M321 PolarHBondContact O-N 2.92Å; S318-M321 PolarHBondContact O-N 3.36Å; Y319-M321 PolarHBondContact O-N 2.95Å; M321-W559 HydrophobicContact CE-CB 4.14Å; M321-W559 HydrophobicContact CE-CD2 3.41Å; M321-W559 VanDerWaalsContact CE-CD2 3.41Å; M321-W559 HydrophobicContact CE-CE3 3.2Å; M321-W559 HydrophobicContact CE-CG 3.83Å; M321-W559 HydrophobicContact CE-CH2 4.43Å; M321-W559 HydrophobicContact CE-CZ3 3.77Å; M321-W559 HydrophobicContact CG-CE3 4.13Å; M321-W559 HydrophobicContact CG-CH2 4.01Å; M321-W559 HydrophobicContact CG-CZ3 3.68Å |
| 322 | V | 92.5 | Very high | 89 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -90 | -14.1 | -171.8 | -52.4 | 0 | 0 | 0 | 0 | 114.3 | M107 A110 A111 R125 R126 A129 S318 | M107-V322 HydrophobicContact CB-CG1 4.01Å; M107-V322 HydrophobicContact SD-CG1 3.96Å; A110-V322 HydrophobicContact CB-CG1 4.29Å; A111-V322 HydrophobicContact CB-CG1 4.49Å; R125-V322 HydrophobicContact CB-CB 4.07Å; R125-V322 HydrophobicContact CB-CG2 4.37Å; R125-V322 WeakPolarHBondContact CD-O 3.37Å; R125-V322 PolarHBondContact NE-O 3.42Å; R126-V322 HydrophobicContact CG-CG2 4.4Å; A129-V322 HydrophobicContact CB-CG1 4.48Å; A129-V322 HydrophobicContact CB-CG2 4.11Å; S318-V322 WeakPolarHBondContact O-CG1 3.49Å; S318-V322 VanDerWaalsContact O-CG2 3.25Å; S318-V322 WeakPolarHBondContact O-CG2 3.5Å; S318-V322 PolarHBondContact O-N 3.41Å; S318-V322 VanDerWaalsContact O-N 3.1Å |
| 323 | D | 90 | Very high | 88.6 | Confident | 30 Ų | 30 | 32.8 Ų | 32.8 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -121.1 | -75.9 | -178.6 | -157 | 6 | 0 | 0 | 0 | 109.9 | R122 R126 Y319 Y325 Y326 | R122-D323 WeakPolarHBondContact CD-OD1 3.41Å; R122-D323 IonicContact CZ-OD1 3.38Å; R122-D323 IonicContact CZ-OD2 2.73Å; R122-D323 VanDerWaalsContact CZ-OD2 3.31Å; R122-D323 VanDerWaalsContact NE-CG 3.3Å; R122-D323 IonicContact NE-OD1 3.25Å; R122-D323 PolarHBondContact NE-OD1 2.88Å; R122-D323 IonicContact NE-OD2 3.23Å; R122-D323 PolarHBondContact NE-OD2 3.43Å; R122-D323 IonicContact NH2-OD2 2.75Å; R122-D323 PolarHBondContact NH2-OD2 3.37Å; R126-D323 WeakPolarHBondContact CD-OD2 3.37Å; R126-D323 IonicContact CZ-OD2 2.59Å; R126-D323 IonicContact NE-OD2 3.72Å; R126-D323 IonicContact NH1-OD2 3.25Å; R126-D323 PolarHBondContact NH1-OD2 3.28Å; Y319-D323 WeakPolarHBondContact O-CA 3.34Å; Y319-D323 WeakPolarHBondContact O-CB 3.2Å; Y319-D323 PolarHBondContact O-N 2.96Å; D323-Y325 VanDerWaalsContact C-N 3.28Å; D323-Y325 PolarHBondContact O-N 3.36Å; D323-Y325 VanDerWaalsContact O-N 3.15Å; D323-Y326 WeakPolarHBondContact O-CB 3.44Å; D323-Y326 PolarHBondContact O-N 3.34Å; D323-Y326 VanDerWaalsContact O-N 3.15Å |
| 324 | D | 86.5 | Confident | 88.5 | Confident | 60 Ų | 60 | 38.2 Ų | 38.2 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -62.8 | -31.2 | -169.2 | -66 | -2.1 | 0 | 0 | 0 | 113.5 | L320 K328 Y551 | L320-D324 HydrophobicContact CD2-CB 4.17Å; L320-D324 VanDerWaalsContact CD2-OD2 3.27Å; L320-D324 WeakPolarHBondContact CD2-OD2 3.23Å; L320-D324 PolarHBondContact O-N 3.39Å; D324-K328 VanDerWaalsContact O-CD 3.22Å; D324-K328 WeakPolarHBondContact O-CD 3.29Å; D324-K328 WeakPolarHBondContact O-CE 3.41Å; D324-K328 PolarHBondContact O-NZ 3.31Å; D324-Y551 PolarHBondContact OD2-OH 3.47Å |
| 325 | Y | 84.2 | Confident | 88.1 | Confident | 8 Ų | 8 | 38.4 Ų | 38.4 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 8.5 | 179.9 | -65.7 | -70.9 | 0 | 0 | 0 | 114.4 | L320 D323 G327 K328 K547 W559 L560 N567 | L320-Y325 HydrophobicContact CB-CD2 4.04Å; L320-Y325 HydrophobicContact CB-CE2 4.16Å; L320-Y325 HydrophobicContact CD2-CE2 4.31Å; L320-Y325 VanDerWaalsContact O-CD2 3.31Å; L320-Y325 WeakPolarHBondContact O-CD2 3.42Å; L320-Y325 PolarHBondContact O-N 3.41Å; D323-Y325 VanDerWaalsContact C-N 3.28Å; D323-Y325 PolarHBondContact O-N 3.36Å; D323-Y325 VanDerWaalsContact O-N 3.15Å; Y325-G327 PolarHBondContact O-N 3.39Å; Y325-G327 VanDerWaalsContact O-N 3.09Å; Y325-K328 PolarHBondContact O-N 2.64Å; Y325-K547 HydrophobicContact CE1-CG 4.4Å; Y325-K547 WeakPolarHBondContact OH-CB 3.25Å; Y325-K547 VanDerWaalsContact OH-CG 3.25Å; Y325-K547 WeakPolarHBondContact OH-CG 3.38Å; Y325-W559 AromaticContact CD2-CH2 3.7Å; Y325-W559 HydrophobicContact CD2-CH2 3.7Å; Y325-W559 HydrophobicContact CD2-CZ3 4.09Å; Y325-W559 AromaticContact CE2-CH2 3.75Å; Y325-W559 HydrophobicContact CE2-CH2 3.75Å; Y325-W559 HydrophobicContact CE2-CZ3 4.42Å; Y325-L560 HydrophobicContact CD1-CD1 3.61Å; Y325-L560 HydrophobicContact CD2-CD1 4.28Å; Y325-L560 HydrophobicContact CE1-CD1 3.43Å; Y325-L560 VanDerWaalsContact CE1-CD1 3.43Å; Y325-L560 HydrophobicContact CE1-CD2 4.2Å; Y325-L560 HydrophobicContact CE1-CG 4.48Å; Y325-L560 HydrophobicContact CE2-CD1 4.14Å; Y325-L560 HydrophobicContact CG-CD1 4.03Å; Y325-N567 PolarHBondContact O-ND2 2.77Å |
| 326 | Y | 89 | Confident | 87.8 | Confident | 31 Ų | 31 | 43.1 Ų | 43.1 | 12% | 0.122 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 117.4 | 176.8 | 172.9 | -107 | 0 | 0 | 0 | 110.6 | A111 H115 G116 L117 D323 K328 | A111-Y326 HydrophobicContact CB-CD2 4.33Å; A111-Y326 VanDerWaalsContact O-CD2 3.26Å; A111-Y326 WeakPolarHBondContact O-CD2 3.35Å; A111-Y326 WeakPolarHBondContact O-CE2 3.5Å; H115-Y326 WeakPolarHBondContact CA-OH 3.5Å; G116-Y326 PolarHBondContact N-OH 3.13Å; L117-Y326 HydrophobicContact CD2-CD1 4.02Å; L117-Y326 HydrophobicContact CD2-CE1 3.67Å; L117-Y326 HydrophobicContact CG-CE1 4.36Å; D323-Y326 WeakPolarHBondContact O-CB 3.44Å; D323-Y326 PolarHBondContact O-N 3.34Å; D323-Y326 VanDerWaalsContact O-N 3.15Å; Y326-K328 PolarHBondContact O-N 3.29Å; Y326-K328 VanDerWaalsContact O-N 3.09Å |
| 327 | G | 82.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 40 Ų | 40 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 0.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y325 | Y325-G327 PolarHBondContact O-N 3.39Å; Y325-G327 VanDerWaalsContact O-N 3.09Å |
| 328 | K | 85.6 | Confident | 87.4 | Confident | 124 Ų | 124 | 40.4 Ų | 40.4 | 54% | 0.539 | 21% | 0.212 | S | C | . | . | trans | -84.3 | 131.9 | -178 | -61.5 | -173.8 | -171.2 | 164.3 | 0 | 111.8 | D324 Y325 Y326 N567 | D324-K328 VanDerWaalsContact O-CD 3.22Å; D324-K328 WeakPolarHBondContact O-CD 3.29Å; D324-K328 WeakPolarHBondContact O-CE 3.41Å; D324-K328 PolarHBondContact O-NZ 3.31Å; Y325-K328 PolarHBondContact O-N 2.64Å; Y326-K328 PolarHBondContact O-N 3.29Å; Y326-K328 VanDerWaalsContact O-N 3.09Å; K328-N567 PolarHBondContact N-ND2 3.03Å; K328-N567 PolarHBondContact O-ND2 3.18Å | ||
| 329 | I | 85.8 | Confident | 87 | Confident | 42 Ų | 42 | 48.2 Ų | 48.2 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | -133.6 | 148.2 | 171.1 | 55.5 | 173 | 0 | 0 | 0 | 110.2 | L332 W564 N567 L568 K571 | I329-L332 HydrophobicContact CD1-CD1 4.46Å; I329-W564 WeakPolarHBondContact CG2-O 3.42Å; I329-N567 HydrophobicContact CG2-CB 3.33Å; I329-L568 HydrophobicContact CD1-CD1 4.15Å; I329-L568 HydrophobicContact CG2-CB 4.35Å; I329-K571 HydrophobicContact CD1-CD 3.38Å | ||
| 330 | P | 86.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.019 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 158.2 | 167.1 | -24.1 | 35.5 | 0 | 0 | 0 | 112.4 | L332 E540 I543 W564 | P330-L332 PolarHBondContact O-N 3.04Å; P330-E540 HydrophobicContact CB-CG 3.55Å; P330-E540 HydrophobicContact CG-CG 3.89Å; P330-I543 HydrophobicContact CB-CD1 3.87Å; P330-I543 HydrophobicContact CG-CD1 4.19Å; P330-W564 HydrophobicContact CG-CD2 3.59Å; P330-W564 HydrophobicContact CG-CE3 3.8Å; P330-W564 HydrophobicContact CG-CG 4.05Å; P330-W564 HydrophobicContact CG-CH2 4.16Å; P330-W564 HydrophobicContact CG-CZ2 3.97Å; P330-W564 HydrophobicContact CG-CZ3 4.09Å |
| 331 | T | 85 | Confident | 85.2 | Confident | 113 Ų | 113 | 56.1 Ų | 56.1 | 69% | 0.693 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -62 | 125.3 | 175.5 | -52.8 | 0 | 0 | 0 | 0 | 110.2 | ||
| 332 | L | 84.7 | Confident | 84.1 | Confident | 28 Ų | 28 | 59.6 Ų | 59.6 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 131.7 | 178.9 | -65.3 | 168.6 | 0 | 0 | 0 | 110.4 | I329 P330 R493 M496 T500 L568 | I329-L332 HydrophobicContact CD1-CD1 4.46Å; P330-L332 PolarHBondContact O-N 3.04Å; L332-R493 VanDerWaalsContact CD1-CZ 3.47Å; L332-M496 HydrophobicContact CB-CG 4.37Å; L332-M496 HydrophobicContact CB-SD 3.71Å; L332-T500 HydrophobicContact CD2-CG2 3.79Å; L332-L568 HydrophobicContact CD1-CD1 3.65Å; L332-L568 HydrophobicContact CD2-CD1 3.98Å; L332-L568 HydrophobicContact CD2-CD2 4.01Å; L332-L568 HydrophobicContact CG-CD1 4.37Å |
| 333 | G | 82.4 | Confident | 83 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | trans | -150.8 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | D335 | G333-D335 PolarHBondContact O-N 3.36Š| ||
| 334 | R | 87.8 | Confident | 82.3 | Confident | 129 Ų | 129 | 61 Ų | 61 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | trans | -64.3 | 129.5 | 175.1 | -64.2 | -179.3 | 176.9 | 172.1 | -0.9 | 109.4 | W338 E492 M496 | R334-W338 HydrophobicContact CB-CB 4.17Å; R334-W338 HydrophobicContact CB-CD2 3.82Å; R334-W338 HydrophobicContact CB-CE3 4.03Å; R334-W338 HydrophobicContact CB-CG 3.88Å; R334-W338 HydrophobicContact CG-CD2 3.75Å; R334-W338 HydrophobicContact CG-CE3 4.24Å; R334-W338 HydrophobicContact CG-CG 3.97Å; R334-W338 HydrophobicContact CG-CZ2 4.26Å; R334-E492 IonicContact CZ-OE1 3.64Å; R334-E492 IonicContact CZ-OE2 3.73Å; R334-E492 IonicContact NE-OE1 3.75Å; R334-E492 PolarHBondContact NE-OE1 2.97Å; R334-E492 IonicContact NH2-OE1 2.7Å; R334-E492 PolarHBondContact NH2-OE1 3.48Å; R334-E492 IonicContact NH2-OE2 2.82Å; R334-E492 PolarHBondContact NH2-OE2 2.96Å; R334-M496 HydrophobicContact CG-CE 4.37Å | ||
| 335 | D | 85.9 | Confident | 82 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 30% | 0.3 | C | S | . | . | trans | -75.5 | 167.8 | 173.7 | 70.7 | 86.7 | 0 | 0 | 0 | 111.7 | G333 H337 W338 R499 | G333-D335 PolarHBondContact O-N 3.36Å; D335-H337 PolarHBondContact O-N 3.01Å; D335-H337 VanDerWaalsContact O-N 3.15Å; D335-H337 WeakPolarHBondContact OD1-CA 3.45Å; D335-H337 WeakPolarHBondContact OD1-CB 3.44Å; D335-H337 PolarHBondContact OD1-N 3.12Å; D335-W338 VanDerWaalsContact O-CB 3.31Å; D335-W338 WeakPolarHBondContact O-CB 3.23Å; D335-W338 PolarHBondContact O-N 3.5Å; D335-W338 PolarHBondContact OD1-N 3.28Å; D335-R499 IonicContact OD1-CZ 3.77Å; D335-R499 IonicContact OD1-NH2 3.15Å; D335-R499 PolarHBondContact OD1-NH2 3.39Å; D335-R499 IonicContact OD2-CZ 2.77Å; D335-R499 VanDerWaalsContact OD2-CZ 3.25Å; D335-R499 IonicContact OD2-NE 2.86Å; D335-R499 PolarHBondContact OD2-NE 3.03Å; D335-R499 IonicContact OD2-NH2 3.41Å; D335-R499 PolarHBondContact OD2-NH2 3.38Å | ||
| 336 | K | 87 | Confident | 81.8 | Confident | 125 Ų | 125 | 61 Ų | 61 | 54% | 0.543 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -31.6 | -177 | -176.8 | 168.3 | -176.8 | 166.3 | 0 | 113.7 | W338 H532 | K336-W338 VanDerWaalsContact C-N 3.34Å; K336-H532 WeakPolarHBondContact CD-O 3.46Å; K336-H532 WeakPolarHBondContact CE-O 3.32Å; K336-H532 PolarHBondContact NZ-O 2.6Å |
| 337 | H | 85.3 | Confident | 81.2 | Confident | 4 Ų | 4 | 61.1 Ų | 61.1 | 2% | 0.019 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 22 | -175.4 | -60.2 | -68.7 | 0 | 0 | 0 | 112.7 | D335 F339 E340 T343 R499 S533 Y692 | D335-H337 PolarHBondContact O-N 3.01Å; D335-H337 VanDerWaalsContact O-N 3.15Å; D335-H337 WeakPolarHBondContact OD1-CA 3.45Å; D335-H337 WeakPolarHBondContact OD1-CB 3.44Å; D335-H337 PolarHBondContact OD1-N 3.12Å; H337-F339 PolarHBondContact O-N 3.24Å; H337-F339 VanDerWaalsContact O-N 3.09Å; H337-E340 HydrophobicContact CB-CB 4.41Å; H337-E340 IonicContact CE1-OE2 2.61Å; H337-E340 IonicContact CG-OE2 2.67Å; H337-E340 VanDerWaalsContact ND1-CD 3.28Å; H337-E340 IonicContact ND1-OE1 3.44Å; H337-E340 PolarHBondContact ND1-OE1 3.35Å; H337-E340 IonicContact ND1-OE2 2.98Å; H337-E340 PolarHBondContact ND1-OE2 2.9Å; H337-E340 PolarHBondContact O-N 2.98Å; H337-E340 VanDerWaalsContact O-N 3.12Å; H337-T343 HydrophobicContact CB-CG2 3.41Å; H337-T343 VanDerWaalsContact CB-CG2 3.41Å; H337-R499 VanDerWaalsContact C-NH2 3.29Å; H337-R499 PolarHBondContact O-NH2 3.3Å; H337-S533 PolarHBondContact NE2-O 3.49Å; H337-S533 VanDerWaalsContact NE2-O 3.11Å; H337-Y692 HydrophobicContact CB-CE2 4.16Å |
| 338 | W | 85.4 | Confident | 80.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.3 | -171.9 | -166.6 | -103 | 0 | 0 | 0 | 114.7 | R334 D335 K336 E492 R495 M496 | R334-W338 HydrophobicContact CB-CB 4.17Å; R334-W338 HydrophobicContact CB-CD2 3.82Å; R334-W338 HydrophobicContact CB-CE3 4.03Å; R334-W338 HydrophobicContact CB-CG 3.88Å; R334-W338 HydrophobicContact CG-CD2 3.75Å; R334-W338 HydrophobicContact CG-CE3 4.24Å; R334-W338 HydrophobicContact CG-CG 3.97Å; R334-W338 HydrophobicContact CG-CZ2 4.26Å; D335-W338 VanDerWaalsContact O-CB 3.31Å; D335-W338 WeakPolarHBondContact O-CB 3.23Å; D335-W338 PolarHBondContact O-N 3.5Å; D335-W338 PolarHBondContact OD1-N 3.28Å; K336-W338 VanDerWaalsContact C-N 3.34Å; W338-E492 HydrophobicContact CH2-CG 4.49Å; W338-E492 HydrophobicContact CZ2-CG 3.72Å; W338-R495 HydrophobicContact CH2-CB 4.25Å; W338-R495 HydrophobicContact CH2-CG 3.94Å; W338-R495 HydrophobicContact CZ2-CG 4.2Å; W338-R495 PolarHBondContact O-NH1 3.2Å; W338-R495 PolarHBondContact O-NH2 3.41Å; W338-M496 HydrophobicContact CH2-CB 3.78Å; W338-M496 HydrophobicContact CH2-CE 4.46Å; W338-M496 HydrophobicContact CH2-CG 4.35Å; W338-M496 HydrophobicContact CZ3-CB 4.28Å; W338-M496 HydrophobicContact CZ3-CG 4.46Å |
| 339 | F | 85.4 | Confident | 79.9 | Confident | 165 Ų | 165 | 60.8 Ų | 60.8 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.8 | 6.9 | -177.3 | -56.7 | -70.6 | 0 | 0 | 0 | 113.4 | H337 | H337-F339 PolarHBondContact O-N 3.24Å; H337-F339 VanDerWaalsContact O-N 3.09Å |
| 340 | E | 78.1 | Confident | 78.7 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | trans | -95.9 | 124.8 | 178.8 | -66.5 | 176.5 | -159 | 0 | 0 | 110.5 | H337 T343 | H337-E340 HydrophobicContact CB-CB 4.41Å; H337-E340 IonicContact CE1-OE2 2.61Å; H337-E340 IonicContact CG-OE2 2.67Å; H337-E340 VanDerWaalsContact ND1-CD 3.28Å; H337-E340 IonicContact ND1-OE1 3.44Å; H337-E340 PolarHBondContact ND1-OE1 3.35Å; H337-E340 IonicContact ND1-OE2 2.98Å; H337-E340 PolarHBondContact ND1-OE2 2.9Å; H337-E340 PolarHBondContact O-N 2.98Å; H337-E340 VanDerWaalsContact O-N 3.12Å; E340-T343 HydrophobicContact CB-CG2 4.25Å; E340-T343 WeakPolarHBondContact OE2-CA 3.28Å | ||
| 341 | E | 68.2 | Low | 77.8 | Confident | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -70.3 | -41 | 173.5 | -67.6 | 174.4 | -174.4 | 0 | 0 | 111.5 | L693 | E341-L693 WeakPolarHBondContact O-CD2 3.48Š|
| 342 | V | 67.9 | Low | 77.2 | Confident | 72 Ų | 72 | 61.2 Ų | 61.2 | 44% | 0.436 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -127.6 | 110 | 176.4 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 343 | T | 70.7 | Confident | 76.3 | Confident | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | trans | -72.6 | 137.1 | -174.9 | 58.2 | 0 | 0 | 0 | 0 | 112.3 | H337 E340 Q689 Y692 | H337-T343 HydrophobicContact CB-CG2 3.41Å; H337-T343 VanDerWaalsContact CB-CG2 3.41Å; E340-T343 HydrophobicContact CB-CG2 4.25Å; E340-T343 WeakPolarHBondContact OE2-CA 3.28Å; T343-Q689 VanDerWaalsContact O-CG 3.26Å; T343-Q689 WeakPolarHBondContact O-CG 3.47Å; T343-Q689 PolarHBondContact O-NE2 3.41Å; T343-Q689 WeakPolarHBondContact OG1-CG 3.36Å; T343-Y692 HydrophobicContact CG2-CD2 3.49Å; T343-Y692 VanDerWaalsContact CG2-CD2 3.49Å; T343-Y692 HydrophobicContact CG2-CE2 3.92Å | ||
| 344 | T | 74 | Confident | 75.7 | Confident | 59 Ų | 59 | 61.2 Ų | 61.2 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | trans | -120.3 | 107.8 | 173.8 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | R727 | T344-R727 PolarHBondContact OG1-NH1 2.82Å; T344-R727 VanDerWaalsContact OG1-NH1 3.1Å; T344-R727 PolarHBondContact OG1-NH2 3.33Å | ||
| 345 | I | 80.5 | Confident | 74.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | trans | -80.6 | 131.2 | -178.7 | -60.8 | 155.3 | 0 | 0 | 0 | 109.5 | R523 F524 S533 F535 D685 L688 | I345-R523 VanDerWaalsContact CB-NH2 3.28Å; I345-R523 PolarHBondContact O-NH2 2.88Å; I345-F524 HydrophobicContact CG2-CE1 4.13Å; I345-F524 HydrophobicContact CG2-CZ 4.1Å; I345-S533 WeakPolarHBondContact CG2-OG 3.28Å; I345-F535 HydrophobicContact CD1-CE2 3.77Å; I345-F535 HydrophobicContact CD1-CZ 3.59Å; I345-F535 HydrophobicContact CG1-CE2 4.22Å; I345-F535 HydrophobicContact CG1-CZ 4.46Å; I345-F535 HydrophobicContact CG2-CE2 4.03Å; I345-D685 WeakPolarHBondContact CD1-OD1 3.37Å; I345-L688 HydrophobicContact CD1-CB 4.18Å; I345-L688 HydrophobicContact CD1-CD2 3.7Å; I345-L688 HydrophobicContact CG1-CD2 4.01Å | ||
| 346 | P | 80.2 | Confident | 73.9 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 43% | 0.429 | 33% | 0.328 | S | S | . | . | trans | -65.1 | 160.9 | -179.6 | 25.6 | -33.5 | 0 | 0 | 0 | 113.2 | R523 | P346-R523 PolarHBondContact O-NE 3.1Å; P346-R523 PolarHBondContact O-NH2 3.32Å | ||
| 347 | H | 75.5 | Confident | 72.9 | Confident | 35 Ų | 35 | 61 Ų | 61 | 16% | 0.162 | 33% | 0.329 | C | S | . | . | trans | -119.1 | 143.8 | 171.4 | -81.4 | -101.8 | 0 | 0 | 0 | 109.2 | S351 M352 R523 | H347-S351 WeakPolarHBondContact CB-OG 3.18Å; H347-S351 PolarHBondContact ND1-O 2.82Å; H347-S351 VanDerWaalsContact ND1-O 3.16Å; H347-S351 PolarHBondContact ND1-OG 2.65Å; H347-M352 HydrophobicContact CB-SD 4.3Å; H347-R523 PolarHBondContact CE1-NE 3.21Å; H347-R523 PolarHBondContact NE2-NH2 2.94Å | ||
| 348 | T | 69.9 | Low | 71.7 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 17% | 0.166 | 35% | 0.353 | C | S | . | . | trans | -68.5 | 161.7 | 164.1 | 58.3 | 0 | 0 | 0 | 0 | 110.7 | A350 S351 M352 K522 R523 P525 H529 | T348-A350 VanDerWaalsContact C-N 3.25Å; T348-A350 PolarHBondContact O-N 3.28Å; T348-S351 PolarHBondContact N-OG 3.08Å; T348-S351 CarbonylContact O-C 3.6Å; T348-S351 PolarHBondContact O-N 3.24Å; T348-S351 PolarHBondContact O-OG 2.73Å; T348-S351 VanDerWaalsContact O-OG 3.13Å; T348-S351 WeakPolarHBondContact OG1-CB 3.15Å; T348-S351 PolarHBondContact OG1-N 3.16Å; T348-S351 PolarHBondContact OG1-OG 3.47Å; T348-M352 PolarHBondContact O-N 3.31Å; T348-K522 PolarHBondContact OG1-O 3.21Å; T348-R523 VanDerWaalsContact CG2-O 3.28Å; T348-R523 WeakPolarHBondContact CG2-O 3.33Å; T348-P525 HydrophobicContact CG2-CG 4.41Å; T348-H529 VanDerWaalsContact CG2-CD2 3.44Å; T348-H529 WeakPolarHBondContact CG2-CD2 3.45Å; T348-H529 WeakPolarHBondContact CG2-NE2 3.31Å | ||
| 349 | V | 71.7 | Confident | 70.5 | Confident | 141 Ų | 141 | 69 Ų | 69 | 86% | 0.855 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -53.9 | -44.7 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | S351 M352 | V349-S351 VanDerWaalsContact C-N 3.27Å; V349-S351 PolarHBondContact O-N 2.67Å; V349-M352 WeakPolarHBondContact O-CB 3.31Å; V349-M352 PolarHBondContact O-N 2.99Å |
| 350 | A | 60.4 | Low | 69.1 | Low | 69 Ų | 69 | 62.6 Ų | 62.6 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -64.6 | -27 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | T348 K522 | T348-A350 VanDerWaalsContact C-N 3.25Å; T348-A350 PolarHBondContact O-N 3.28Å; A350-K522 HydrophobicContact CB-CB 4.44Å |
| 351 | S | 68.5 | Low | 67.9 | Low | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -100.4 | -1.4 | 179.2 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | H347 T348 V349 G353 L354 K355 R523 | H347-S351 WeakPolarHBondContact CB-OG 3.18Å; H347-S351 PolarHBondContact ND1-O 2.82Å; H347-S351 VanDerWaalsContact ND1-O 3.16Å; H347-S351 PolarHBondContact ND1-OG 2.65Å; T348-S351 PolarHBondContact N-OG 3.08Å; T348-S351 CarbonylContact O-C 3.6Å; T348-S351 PolarHBondContact O-N 3.24Å; T348-S351 PolarHBondContact O-OG 2.73Å; T348-S351 VanDerWaalsContact O-OG 3.13Å; T348-S351 WeakPolarHBondContact OG1-CB 3.15Å; T348-S351 PolarHBondContact OG1-N 3.16Å; T348-S351 PolarHBondContact OG1-OG 3.47Å; V349-S351 VanDerWaalsContact C-N 3.27Å; V349-S351 PolarHBondContact O-N 2.67Å; S351-G353 VanDerWaalsContact C-N 3.28Å; S351-G353 PolarHBondContact O-N 3.43Å; S351-L354 CarbonylContact O-C 3.54Å; S351-L354 WeakPolarHBondContact O-CA 3.37Å; S351-L354 WeakPolarHBondContact O-CB 3.43Å; S351-L354 PolarHBondContact O-N 3.16Å; S351-K355 PolarHBondContact O-N 3.17Å; S351-R523 WeakPolarHBondContact OG-CA 3.48Å |
| 352 | M | 71.3 | Confident | 67.1 | Low | 98 Ų | 98 | 54.6 Ų | 54.6 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -61.8 | -37.4 | -176.9 | -167.4 | 65.7 | -104.5 | 0 | 0 | 111.8 | H347 T348 V349 L354 K355 | H347-M352 HydrophobicContact CB-SD 4.3Å; T348-M352 PolarHBondContact O-N 3.31Å; V349-M352 WeakPolarHBondContact O-CB 3.31Å; V349-M352 PolarHBondContact O-N 2.99Å; M352-L354 PolarHBondContact O-N 3.42Å; M352-K355 HydrophobicContact CE-CB 3.71Å; M352-K355 HydrophobicContact CE-CD 3.35Å; M352-K355 HydrophobicContact CE-CG 4.16Å; M352-K355 WeakPolarHBondContact O-CB 3.44Å; M352-K355 PolarHBondContact O-N 3.02Å |
| 353 | G | 66.9 | Low | 66.3 | Low | 46 Ų | 46 | 52.7 Ų | 52.7 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -70.2 | -15.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S351 R356 | S351-G353 VanDerWaalsContact C-N 3.28Å; S351-G353 PolarHBondContact O-N 3.43Å; G353-R356 PolarHBondContact O-NH1 3.22Å; G353-R356 PolarHBondContact O-NH2 3.29Å |
| 354 | L | 69.5 | Low | 65.5 | Low | 15 Ų | 15 | 54.8 Ų | 54.8 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -95.5 | -4.3 | 177.1 | -56.1 | 174 | 0 | 0 | 0 | 112.4 | S351 M352 R356 M374 A519 K522 | S351-L354 CarbonylContact O-C 3.54Å; S351-L354 WeakPolarHBondContact O-CA 3.37Å; S351-L354 WeakPolarHBondContact O-CB 3.43Å; S351-L354 PolarHBondContact O-N 3.16Å; M352-L354 PolarHBondContact O-N 3.42Å; L354-R356 PolarHBondContact O-N 3.24Å; L354-M374 HydrophobicContact CD2-CE 4.4Å; L354-M374 HydrophobicContact CD2-SD 4.25Å; L354-A519 HydrophobicContact CD1-CB 3.92Å; L354-K522 HydrophobicContact CD1-CD 4.32Å |
| 355 | K | 70 | Confident | 64.3 | Low | 93 Ų | 93 | 56 Ų | 56 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | trans | -64.6 | 134.3 | 171.4 | -173.3 | 174.5 | -174.6 | 175.5 | 0 | 109.7 | S351 M352 | S351-K355 PolarHBondContact O-N 3.17Å; M352-K355 HydrophobicContact CE-CB 3.71Å; M352-K355 HydrophobicContact CE-CD 3.35Å; M352-K355 HydrophobicContact CE-CG 4.16Å; M352-K355 WeakPolarHBondContact O-CB 3.44Å; M352-K355 PolarHBondContact O-N 3.02Å | ||
| 356 | R | 66.4 | Low | 62.8 | Low | 33 Ų | 33 | 61.8 Ų | 61.8 | 13% | 0.125 | 36% | 0.358 | C | S | . | . | trans | -120 | 155.6 | -180 | -59.6 | -66 | 168.5 | -113.2 | -1.2 | 110.8 | G353 L354 M374 E679 | G353-R356 PolarHBondContact O-NH1 3.22Å; G353-R356 PolarHBondContact O-NH2 3.29Å; L354-R356 PolarHBondContact O-N 3.24Å; R356-M374 PolarHBondContact NH2-SD 3.41Å; R356-M374 VanDerWaalsContact NH2-SD 3.36Å; R356-E679 WeakPolarHBondContact CD-OE1 3.22Å; R356-E679 VanDerWaalsContact CG-OE2 3.28Å; R356-E679 WeakPolarHBondContact CG-OE2 3.43Å; R356-E679 IonicContact NE-OE1 3.74Å; R356-E679 PolarHBondContact NE-OE1 2.99Å; R356-E679 VanDerWaalsContact NE-OE1 3.14Å; R356-E679 IonicContact NE-OE2 2.93Å; R356-E679 PolarHBondContact NE-OE2 3.19Å; R356-E679 VanDerWaalsContact NE-OE2 3.13Å | ||
| 357 | K | 65.2 | Low | 61 | Low | 130 Ų | 130 | 67.8 Ų | 67.8 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 160.5 | 164.6 | -68.6 | -172.1 | 179.3 | -174.2 | 0 | 109 | F359 Q371 | K357-F359 PolarHBondContact O-N 3.39Å; K357-Q371 VanDerWaalsContact CD-OE1 3.29Å; K357-Q371 VanDerWaalsContact CE-OE1 3.29Å |
| 358 | P | 60.8 | Low | 59.1 | Low | 80 Ų | 80 | 75.6 Ų | 75.6 | 52% | 0.519 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 142.5 | 171.3 | -26 | 34.7 | 0 | 0 | 0 | 111.7 | A360 Y682 | P358-A360 PolarHBondContact O-N 3.32Å; P358-Y682 VanDerWaalsContact CA-CE2 3.46Å; P358-Y682 HydrophobicContact CB-CE2 4.2Å |
| 359 | F | 60 | Low | 57.5 | Low | 100 Ų | 100 | 83.2 Ų | 83.2 | 44% | 0.439 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 124 | 177.5 | 167.8 | -105.4 | 0 | 0 | 0 | 110.3 | K357 P361 Y682 | K357-F359 PolarHBondContact O-N 3.39Å; F359-P361 HydrophobicContact CE1-CB 3.67Å; F359-P361 HydrophobicContact CZ-CB 3.98Å; F359-Y682 HydrophobicContact CB-CD1 4.44Å; F359-Y682 HydrophobicContact CB-CE1 3.57Å; F359-Y682 WeakPolarHBondContact CB-OH 3.44Å; F359-Y682 VanDerWaalsContact N-CZ 3.32Å; F359-Y682 PolarHBondContact N-OH 3.11Å |
| 360 | A | 54.3 | Low | 55.9 | Low | 31 Ų | 31 | 83.6 Ų | 83.6 | 26% | 0.256 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -99.3 | 120 | 169 | 0 | 0 | 0 | 0 | 0 | 107.7 | P358 | P358-A360 PolarHBondContact O-N 3.32Š|
| 361 | P | 54 | Low | 55.1 | Low | 16 Ų | 16 | 86.5 Ų | 86.5 | 10% | 0.104 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -72 | 155.5 | 179.3 | 33.2 | -38 | 0 | 0 | 0 | 110.9 | F359 T363 A364 S733 | F359-P361 HydrophobicContact CE1-CB 3.67Å; F359-P361 HydrophobicContact CZ-CB 3.98Å; P361-T363 VanDerWaalsContact C-N 3.29Å; P361-T363 PolarHBondContact O-N 3.15Å; P361-A364 HydrophobicContact CG-CB 4.16Å; P361-A364 VanDerWaalsContact O-CB 3.23Å; P361-A364 WeakPolarHBondContact O-CB 3.28Å; P361-A364 PolarHBondContact O-N 3.41Å; P361-S733 VanDerWaalsContact CG-CB 3.49Å |
| 362 | S | 50.8 | Low | 54.2 | Low | 33 Ų | 33 | 93.8 Ų | 93.8 | 23% | 0.231 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -35.6 | -161.7 | 61.6 | 0 | 0 | 0 | 0 | 115.8 | S380 | S362-S380 WeakPolarHBondContact O-CB 3.48Å; S362-S380 PolarHBondContact O-OG 3.37Å |
| 363 | T | 51.5 | Low | 53.2 | Low | 33 Ų | 33 | 91.8 Ų | 91.8 | 20% | 0.202 | 46% | 0.459 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.9 | 179.7 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | P361 D365 S733 | P361-T363 VanDerWaalsContact C-N 3.29Å; P361-T363 PolarHBondContact O-N 3.15Å; T363-D365 VanDerWaalsContact C-N 3.27Å; T363-D365 PolarHBondContact O-N 3.28Å; T363-S733 CarbonylContact C-O 3.56Å; T363-S733 VanDerWaalsContact C-O 3.26Å; T363-S733 VanDerWaalsContact OG1-CA 3.32Å; T363-S733 WeakPolarHBondContact OG1-CA 3.5Å; T363-S733 WeakPolarHBondContact OG1-CB 3.33Å; T363-S733 PolarHBondContact OG1-O 3.34Å; T363-S733 PolarHBondContact OG1-OG 2.89Å |
| 364 | A | 54.4 | Low | 52.5 | Low | 45 Ų | 45 | 90.2 Ų | 90.2 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -30.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | P361 L366 | P361-A364 HydrophobicContact CG-CB 4.16Å; P361-A364 VanDerWaalsContact O-CB 3.23Å; P361-A364 WeakPolarHBondContact O-CB 3.28Å; P361-A364 PolarHBondContact O-N 3.41Å; A364-L366 PolarHBondContact O-N 3.17Å |
| 365 | D | 49 | Very low | 52.2 | Low | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 19.7 | -173.9 | -82.3 | -22.6 | 0 | 0 | 0 | 114.5 | T363 K367 Y368 | T363-D365 VanDerWaalsContact C-N 3.27Å; T363-D365 PolarHBondContact O-N 3.28Å; D365-K367 PolarHBondContact O-N 3.38Å; D365-Y368 PolarHBondContact O-N 2.68Å |
| 366 | L | 48.2 | Very low | 51.9 | Low | 123 Ų | 123 | 89 Ų | 89 | 64% | 0.644 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 6.5 | 174.6 | -95.1 | 163.8 | 0 | 0 | 0 | 114.5 | A364 L737 | A364-L366 PolarHBondContact O-N 3.17Å; L366-L737 HydrophobicContact CD1-CD1 4.38Å |
| 367 | K | 41.7 | Very low | 51.9 | Low | 192 Ų | 192 | 90.1 Ų | 90.1 | 84% | 0.835 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | 0.7 | 169.8 | -90.6 | -174.3 | 176.6 | 177.3 | 0 | 118.2 | D365 | D365-K367 PolarHBondContact O-N 3.38Š|
| 368 | Y | 37.5 | Very low | 51.9 | Low | 199 Ų | 199 | 89.5 Ų | 89.5 | 78% | 0.78 | 45% | 0.446 | S | S | * | . | trans | -142.9 | 137.7 | -179.7 | -93.3 | -85.9 | 0 | 0 | 0 | 115.2 | D365 | D365-Y368 PolarHBondContact O-N 2.68Š| ||
| 369 | F | 36.3 | Very low | 52.1 | Low | 187 Ų | 187 | 89.1 Ų | 89.1 | 82% | 0.82 | 45% | 0.445 | S | S | * | . | trans | -79.1 | 137.6 | -177.5 | -113.4 | -106.1 | 0 | 0 | 0 | 112.4 | ||||
| 370 | L | 36.8 | Very low | 52 | Low | 149 Ų | 149 | 86 Ų | 86 | 78% | 0.78 | 44% | 0.435 | S | S | * | . | trans | 41.4 | 95.3 | 149.7 | -58.4 | 176.9 | 0 | 0 | 0 | 117.9 | ||||
| 371 | Q | 43.9 | Very low | 52.4 | Low | 131 Ų | 131 | 86.8 Ų | 86.8 | 61% | 0.612 | 44% | 0.439 | S | S | * | . | trans | -119.5 | 153.7 | 163.6 | -150.1 | 155 | 53.3 | 0 | 0 | 111.8 | K357 I373 | K357-Q371 VanDerWaalsContact CD-OE1 3.29Å; K357-Q371 VanDerWaalsContact CE-OE1 3.29Å; Q371-I373 VanDerWaalsContact C-N 3.31Å; Q371-I373 PolarHBondContact O-N 2.89Å | ||
| 372 | K | 48.7 | Very low | 52.7 | Low | 153 Ų | 153 | 87.6 Ų | 87.6 | 67% | 0.665 | 45% | 0.445 | S | S | * | . | trans | -68.9 | 67.2 | -165.5 | -161.6 | -179.1 | -174.6 | -179.2 | 0 | 114 | ||||
| 373 | I | 50.3 | Low | 52.9 | Low | 55 Ų | 55 | 90.1 Ų | 90.1 | 28% | 0.282 | 46% | 0.462 | S | S | . | . | trans | -95.4 | 136 | 170.3 | -52.9 | 173.7 | 0 | 0 | 0 | 108 | Q371 T375 R398 | Q371-I373 VanDerWaalsContact C-N 3.31Å; Q371-I373 PolarHBondContact O-N 2.89Å; I373-T375 VanDerWaalsContact CG2-O 3.28Å; I373-T375 WeakPolarHBondContact CG2-O 3.38Å; I373-R398 PolarHBondContact O-NH1 3.49Å; I373-R398 PolarHBondContact O-NH2 3.46Å | ||
| 374 | M | 54.1 | Low | 53.1 | Low | 13 Ų | 13 | 92.9 Ų | 92.9 | 6% | 0.064 | 48% | 0.479 | C | S | . | . | S | Bend | trans | -60.2 | -57.6 | 173.1 | -54.7 | -138.1 | -69 | 0 | 0 | 109 | L354 R356 V376 R398 D675 E679 | L354-M374 HydrophobicContact CD2-CE 4.4Å; L354-M374 HydrophobicContact CD2-SD 4.25Å; R356-M374 PolarHBondContact NH2-SD 3.41Å; R356-M374 VanDerWaalsContact NH2-SD 3.36Å; M374-V376 PolarHBondContact O-N 3.18Å; M374-V376 VanDerWaalsContact O-N 3.12Å; M374-R398 VanDerWaalsContact CA-NH2 3.3Å; M374-D675 CarbonylContact C-O 3.59Å; M374-D675 CarbonylContact O-C 3.55Å; M374-E679 WeakPolarHBondContact CA-OE1 3.15Å; M374-E679 WeakPolarHBondContact CB-OE1 3.32Å; M374-E679 WeakPolarHBondContact CG-OE1 3.5Å; M374-E679 PolarHBondContact N-OE1 2.89Å |
| 375 | T | 62.9 | Low | 53.4 | Low | 52 Ų | 52 | 95.7 Ų | 95.7 | 32% | 0.319 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -61.4 | 115.2 | 178.6 | -44 | 0 | 0 | 0 | 0 | 110.6 | I373 T377 D675 D677 E679 | I373-T375 VanDerWaalsContact CG2-O 3.28Å; I373-T375 WeakPolarHBondContact CG2-O 3.38Å; T375-T377 PolarHBondContact O-N 3.14Å; T375-D675 WeakPolarHBondContact CA-O 3.35Å; T375-D675 PolarHBondContact N-O 3.36Å; T375-D677 PolarHBondContact OG1-O 3.03Å; T375-E679 PolarHBondContact N-OE1 2.79Å; T375-E679 WeakPolarHBondContact OG1-CG 3.46Å |
| 376 | V | 63.8 | Low | 54.4 | Low | 31 Ų | 31 | 95.1 Ų | 95.1 | 19% | 0.188 | 50% | 0.502 | C | S | . | . | trans | -79.5 | 99.9 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | M374 Y378 L396 R398 | M374-V376 PolarHBondContact O-N 3.18Å; M374-V376 VanDerWaalsContact O-N 3.12Å; V376-Y378 VanDerWaalsContact O-CD1 3.31Å; V376-Y378 WeakPolarHBondContact O-CD1 3.43Å; V376-Y378 PolarHBondContact O-N 3.27Å; V376-L396 HydrophobicContact CG1-CD1 4.24Å; V376-R398 HydrophobicContact CG2-CB 4Å; V376-R398 HydrophobicContact CG2-CG 3.74Å | ||
| 377 | T | 64.8 | Low | 55.3 | Low | 56 Ų | 56 | 98 Ų | 98 | 34% | 0.344 | 52% | 0.517 | S | S | . | . | trans | -78.3 | 105.9 | 177.4 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | T375 | T375-T377 PolarHBondContact O-N 3.14Š| ||
| 378 | Y | 66.4 | Low | 56.7 | Low | 118 Ų | 118 | 91.3 Ų | 91.3 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | trans | -108.9 | -2 | 178.1 | 59.2 | -96.7 | 0 | 0 | 0 | 114 | V376 S380 S381 C382 L393 | V376-Y378 VanDerWaalsContact O-CD1 3.31Å; V376-Y378 WeakPolarHBondContact O-CD1 3.43Å; V376-Y378 PolarHBondContact O-N 3.27Å; Y378-S380 PolarHBondContact O-N 3.37Å; Y378-S380 VanDerWaalsContact O-N 3.1Å; Y378-S381 WeakPolarHBondContact O-CA 3.09Å; Y378-S381 VanDerWaalsContact O-CB 3.32Å; Y378-S381 WeakPolarHBondContact O-CB 3.44Å; Y378-S381 PolarHBondContact O-N 2.78Å; Y378-C382 PolarHBondContact O-N 2.88Å; Y378-C382 VanDerWaalsContact O-N 3.13Å; Y378-L393 HydrophobicContact CD2-CD1 3.64Å; Y378-L393 HydrophobicContact CD2-CD2 4.48Å; Y378-L393 HydrophobicContact CE2-CD1 4.16Å; Y378-L393 HydrophobicContact CG-CD1 3.97Å; Y378-L393 HydrophobicContact CG-CD2 4.24Å | ||
| 379 | S | 64.3 | Low | 58.1 | Low | 71 Ų | 71 | 82.1 Ų | 82.1 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.5 | -173.1 | -43.8 | 0 | 0 | 0 | 0 | 113.7 | C382 S383 | S379-C382 CarbonylContact O-C 3.56Å; S379-C382 PolarHBondContact O-N 3.14Å; S379-S383 PolarHBondContact O-N 3.15Å |
| 380 | S | 59.4 | Low | 59.8 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 24% | 0.238 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -27 | 174.8 | 48 | 0 | 0 | 0 | 0 | 113.5 | S362 Y378 C382 S383 | S362-S380 WeakPolarHBondContact O-CB 3.48Å; S362-S380 PolarHBondContact O-OG 3.37Å; Y378-S380 PolarHBondContact O-N 3.37Å; Y378-S380 VanDerWaalsContact O-N 3.1Å; S380-C382 PolarHBondContact O-N 2.71Å; S380-S383 PolarHBondContact O-N 3.42Å; S380-S383 PolarHBondContact O-OG 3.14Å; S380-S383 VanDerWaalsContact O-OG 3.05Å |
| 381 | S | 61.4 | Low | 61.7 | Low | 49 Ų | 49 | 76 Ų | 76 | 34% | 0.343 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -24.5 | 171.8 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | Y378 R392 | Y378-S381 WeakPolarHBondContact O-CA 3.09Å; Y378-S381 VanDerWaalsContact O-CB 3.32Å; Y378-S381 WeakPolarHBondContact O-CB 3.44Å; Y378-S381 PolarHBondContact O-N 2.78Å; S381-R392 PolarHBondContact O-NH2 2.97Å |
| 382 | C | 59.6 | Low | 63 | Low | 33 Ų | 33 | 75.4 Ų | 75.4 | 22% | 0.223 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 6.5 | 176.7 | -64 | 0 | 0 | 0 | 0 | 114.4 | Y378 S379 S380 T384 L393 | Y378-C382 PolarHBondContact O-N 2.88Å; Y378-C382 VanDerWaalsContact O-N 3.13Å; S379-C382 CarbonylContact O-C 3.56Å; S379-C382 PolarHBondContact O-N 3.14Å; S380-C382 PolarHBondContact O-N 2.71Å; C382-T384 PolarHBondContact O-N 3.48Å; C382-L393 VanDerWaalsContact SG-CD1 3.55Å |
| 383 | S | 56.6 | Low | 64.4 | Low | 85 Ų | 85 | 69.7 Ų | 69.7 | 59% | 0.594 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -64.4 | -25.2 | -176.2 | 61.8 | 0 | 0 | 0 | 0 | 112.7 | S379 S380 | S379-S383 PolarHBondContact O-N 3.15Å; S380-S383 PolarHBondContact O-N 3.42Å; S380-S383 PolarHBondContact O-OG 3.14Å; S380-S383 VanDerWaalsContact O-OG 3.05Å |
| 384 | T | 55.4 | Low | 65.9 | Low | 91 Ų | 91 | 72 Ų | 72 | 56% | 0.558 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -116.1 | 122 | 174.7 | -39.1 | 0 | 0 | 0 | 0 | 108.3 | C382 T386 S389 | C382-T384 PolarHBondContact O-N 3.48Å; T384-T386 HydrophobicContact CG2-CG2 4.23Å; T384-T386 PolarHBondContact O-N 2.66Å; T384-T386 VanDerWaalsContact O-N 3.11Å; T384-S389 PolarHBondContact O-OG 2.78Å |
| 385 | A | 60.6 | Low | 67.3 | Low | 105 Ų | 105 | 78.6 Ų | 78.6 | 87% | 0.868 | 45% | 0.449 | S | S | * | . | trans | -71 | 104.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 386 | T | 70 | Confident | 68.1 | Low | 71 Ų | 71 | 79.1 Ų | 79.1 | 44% | 0.436 | 45% | 0.45 | S | S | . | . | trans | -123.8 | 159.1 | 171.1 | 69.9 | 0 | 0 | 0 | 0 | 108 | T384 S388 S389 | T384-T386 HydrophobicContact CG2-CG2 4.23Å; T384-T386 PolarHBondContact O-N 2.66Å; T384-T386 VanDerWaalsContact O-N 3.11Å; T386-S388 PolarHBondContact O-N 3.48Å; T386-S389 PolarHBondContact N-OG 2.84Å; T386-S389 VanDerWaalsContact N-OG 3.08Å; T386-S389 PolarHBondContact O-N 3.01Å; T386-S389 PolarHBondContact O-OG 3.46Å; T386-S389 PolarHBondContact OG1-N 3.42Å; T386-S389 PolarHBondContact OG1-OG 3.36Å | ||
| 387 | L | 67.2 | Low | 69.1 | Low | 182 Ų | 182 | 84.6 Ų | 84.6 | 95% | 0.953 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -33.4 | 177 | -175.1 | 69.1 | 0 | 0 | 0 | 112.2 | ||
| 388 | S | 70.9 | Confident | 69.7 | Low | 53 Ų | 53 | 85.6 Ų | 85.6 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 0.4 | -177.2 | -170.7 | 0 | 0 | 0 | 0 | 114.9 | T386 S391 R392 | T386-S388 PolarHBondContact O-N 3.48Å; S388-S391 WeakPolarHBondContact CA-OG 3.49Å; S388-S391 PolarHBondContact O-N 2.9Å; S388-S391 PolarHBondContact O-OG 3.12Å; S388-S391 PolarHBondContact OG-OG 2.57Å; S388-R392 WeakPolarHBondContact O-CG 3.44Å; S388-R392 PolarHBondContact O-N 3.4Å; S388-R392 PolarHBondContact O-NE 3.41Å |
| 389 | S | 66.4 | Low | 70.3 | Confident | 5 Ų | 5 | 81.3 Ų | 81.3 | 4% | 0.035 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -63.3 | -48.3 | -173.7 | -65 | 0 | 0 | 0 | 0 | 112.4 | T384 T386 | T384-S389 PolarHBondContact O-OG 2.78Å; T386-S389 PolarHBondContact N-OG 2.84Å; T386-S389 VanDerWaalsContact N-OG 3.08Å; T386-S389 PolarHBondContact O-N 3.01Å; T386-S389 PolarHBondContact O-OG 3.46Å; T386-S389 PolarHBondContact OG1-N 3.42Å; T386-S389 PolarHBondContact OG1-OG 3.36Å |
| 390 | F | 72.1 | Confident | 71.4 | Confident | 155 Ų | 155 | 78.5 Ų | 78.5 | 68% | 0.68 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -77 | -30.3 | 174.8 | -69.7 | -45.3 | 0 | 0 | 0 | 113.4 | R392 L393 L394 | F390-R392 VanDerWaalsContact C-N 3.25Å; F390-R392 PolarHBondContact O-N 2.78Å; F390-L393 HydrophobicContact CD1-CD1 4.02Å; F390-L393 WeakPolarHBondContact O-CB 3.36Å; F390-L393 PolarHBondContact O-N 2.94Å; F390-L394 PolarHBondContact O-N 3.02Å |
| 391 | S | 76.4 | Confident | 72.7 | Confident | 53 Ų | 53 | 78.7 Ų | 78.7 | 37% | 0.371 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.6 | -33 | 177.6 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | S388 L393 L394 | S388-S391 WeakPolarHBondContact CA-OG 3.49Å; S388-S391 PolarHBondContact O-N 2.9Å; S388-S391 PolarHBondContact O-OG 3.12Å; S388-S391 PolarHBondContact OG-OG 2.57Å; S391-L393 VanDerWaalsContact C-N 3.3Å; S391-L393 PolarHBondContact O-N 2.77Å; S391-L394 WeakPolarHBondContact O-CB 3.26Å; S391-L394 PolarHBondContact O-N 2.85Å |
| 392 | R | 71.6 | Confident | 74.1 | Confident | 118 Ų | 118 | 80.3 Ų | 80.3 | 45% | 0.445 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 171.8 | -74.3 | -177.9 | -68.6 | 161.9 | 0.2 | 112.8 | S381 S388 F390 L394 L395 | S381-R392 PolarHBondContact O-NH2 2.97Å; S388-R392 WeakPolarHBondContact O-CG 3.44Å; S388-R392 PolarHBondContact O-N 3.4Å; S388-R392 PolarHBondContact O-NE 3.41Å; F390-R392 VanDerWaalsContact C-N 3.25Å; F390-R392 PolarHBondContact O-N 2.78Å; R392-L394 VanDerWaalsContact C-N 3.32Å; R392-L395 PolarHBondContact O-N 2.83Å |
| 393 | L | 78.5 | Confident | 75.5 | Confident | 34 Ų | 34 | 82.1 Ų | 82.1 | 18% | 0.178 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68.5 | -33.3 | 176.4 | -57.6 | -164.4 | 0 | 0 | 0 | 112.1 | Y378 C382 F390 S391 L395 L396 | Y378-L393 HydrophobicContact CD2-CD1 3.64Å; Y378-L393 HydrophobicContact CD2-CD2 4.48Å; Y378-L393 HydrophobicContact CE2-CD1 4.16Å; Y378-L393 HydrophobicContact CG-CD1 3.97Å; Y378-L393 HydrophobicContact CG-CD2 4.24Å; C382-L393 VanDerWaalsContact SG-CD1 3.55Å; F390-L393 HydrophobicContact CD1-CD1 4.02Å; F390-L393 WeakPolarHBondContact O-CB 3.36Å; F390-L393 PolarHBondContact O-N 2.94Å; S391-L393 VanDerWaalsContact C-N 3.3Å; S391-L393 PolarHBondContact O-N 2.77Å; L393-L395 PolarHBondContact O-N 3.04Å; L393-L396 HydrophobicContact CD2-CD1 3.94Å; L393-L396 WeakPolarHBondContact O-CB 3.07Å; L393-L396 PolarHBondContact O-N 2.96Å; L393-L396 VanDerWaalsContact O-N 3.09Å |
| 394 | L | 81.9 | Confident | 77 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 53% | 0.534 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.3 | -21.2 | 174.9 | -62 | 176.1 | 0 | 0 | 0 | 112.4 | F390 S391 R392 Y402 | F390-L394 PolarHBondContact O-N 3.02Å; S391-L394 WeakPolarHBondContact O-CB 3.26Å; S391-L394 PolarHBondContact O-N 2.85Å; R392-L394 VanDerWaalsContact C-N 3.32Å; L394-Y402 WeakPolarHBondContact O-CE2 3.27Å |
| 395 | L | 82.5 | Confident | 78.7 | Confident | 152 Ų | 152 | 75.3 Ų | 75.3 | 80% | 0.796 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -5.3 | 178.1 | -61.4 | 176.9 | 0 | 0 | 0 | 113.3 | R392 L393 | R392-L395 PolarHBondContact O-N 2.83Å; L393-L395 PolarHBondContact O-N 3.04Å |
| 396 | L | 80 | Confident | 80.3 | Confident | 64 Ų | 64 | 74.7 Ų | 74.7 | 34% | 0.335 | 37% | 0.371 | S | S | . | . | trans | -72.6 | 130.9 | 174.6 | -64.8 | 175 | 0 | 0 | 0 | 109.3 | V376 L393 S400 | V376-L396 HydrophobicContact CG1-CD1 4.24Å; L393-L396 HydrophobicContact CD2-CD1 3.94Å; L393-L396 WeakPolarHBondContact O-CB 3.07Å; L393-L396 PolarHBondContact O-N 2.96Å; L393-L396 VanDerWaalsContact O-N 3.09Å; L396-S400 WeakPolarHBondContact O-CB 3.33Å; L396-S400 PolarHBondContact O-OG 3.42Å | ||
| 397 | W | 84.7 | Confident | 81.3 | Confident | 146 Ų | 146 | 76.5 Ų | 76.5 | 55% | 0.553 | 37% | 0.373 | S | S | * | . | trans | -84.4 | -40 | 174.3 | -178.6 | -109.5 | 0 | 0 | 0 | 112.1 | S400 K403 F406 | W397-S400 PolarHBondContact O-OG 3.29Å; W397-K403 HydrophobicContact CD2-CB 4.15Å; W397-K403 HydrophobicContact CH2-CB 4.42Å; W397-K403 HydrophobicContact CZ2-CB 4.03Å; W397-K403 HydrophobicContact CZ2-CG 4.22Å; W397-K403 WeakPolarHBondContact O-CB 3.38Å; W397-F406 HydrophobicContact CH2-CB 4.2Å; W397-F406 HydrophobicContact CH2-CD1 4.08Å; W397-F406 HydrophobicContact CH2-CG 4.15Å; W397-F406 HydrophobicContact CZ2-CD1 4.16Å; W397-F406 HydrophobicContact CZ2-CE1 4.39Å | ||
| 398 | R | 78.7 | Confident | 82.5 | Confident | 76 Ų | 76 | 68.3 Ų | 68.3 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 139.8 | 179.8 | -163.5 | 177.9 | -169.5 | -179.3 | -2.8 | 110.2 | I373 M374 V376 S400 D675 | I373-R398 PolarHBondContact O-NH1 3.49Å; I373-R398 PolarHBondContact O-NH2 3.46Å; M374-R398 VanDerWaalsContact CA-NH2 3.3Å; V376-R398 HydrophobicContact CG2-CB 4Å; V376-R398 HydrophobicContact CG2-CG 3.74Å; R398-S400 PolarHBondContact O-N 3.29Å; R398-D675 HydrophobicContact CG-CB 4.38Å; R398-D675 VanDerWaalsContact CG-CG 3.43Å; R398-D675 WeakPolarHBondContact CG-OD1 3.49Å; R398-D675 WeakPolarHBondContact CG-OD2 3.48Å; R398-D675 IonicContact CZ-OD1 3.57Å; R398-D675 IonicContact NE-OD1 3.69Å; R398-D675 PolarHBondContact NE-OD1 3.35Å; R398-D675 IonicContact NH2-OD1 3.59Å |
| 399 | G | 77.4 | Confident | 83.7 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 16.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | D675 | G399-D675 PolarHBondContact N-OD2 2.85Š|
| 400 | S | 87.8 | Confident | 85 | Confident | 12 Ų | 12 | 74 Ų | 74 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -103.1 | 154.1 | -176.3 | 78.2 | 0 | 0 | 0 | 0 | 113 | L396 W397 R398 Y402 K403 I404 | L396-S400 WeakPolarHBondContact O-CB 3.33Å; L396-S400 PolarHBondContact O-OG 3.42Å; W397-S400 PolarHBondContact O-OG 3.29Å; R398-S400 PolarHBondContact O-N 3.29Å; S400-Y402 PolarHBondContact O-N 2.92Å; S400-K403 PolarHBondContact O-N 2.91Å; S400-K403 VanDerWaalsContact O-N 3.13Å; S400-I404 PolarHBondContact O-N 2.91Å |
| 401 | V | 87.7 | Confident | 86.1 | Confident | 39 Ų | 39 | 70 Ų | 70 | 24% | 0.236 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.1 | -36.4 | 176.1 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | K403 I404 I405 I655 G659 | V401-K403 PolarHBondContact O-N 2.8Å; V401-I404 WeakPolarHBondContact O-CG1 3.48Å; V401-I404 PolarHBondContact O-N 3.34Å; V401-I405 HydrophobicContact CG2-CD1 4.37Å; V401-I405 HydrophobicContact CG2-CG2 4.18Å; V401-I405 VanDerWaalsContact O-CG1 3.25Å; V401-I405 WeakPolarHBondContact O-CG1 3.45Å; V401-I405 WeakPolarHBondContact O-CG2 3.49Å; V401-I405 PolarHBondContact O-N 3.32Å; V401-I405 VanDerWaalsContact O-N 3.08Å; V401-I655 HydrophobicContact CG1-CG2 4.29Å; V401-G659 VanDerWaalsContact CG2-CA 3.42Å |
| 402 | Y | 89.2 | Confident | 86.9 | Confident | 82 Ų | 82 | 68 Ų | 68 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 179.8 | -51.1 | -69.7 | 0 | 0 | 0 | 112.1 | L394 S400 I404 I405 F406 | L394-Y402 WeakPolarHBondContact O-CE2 3.27Å; S400-Y402 PolarHBondContact O-N 2.92Å; Y402-I404 VanDerWaalsContact C-N 3.31Å; Y402-I404 PolarHBondContact O-N 3.14Å; Y402-I405 PolarHBondContact O-N 3.12Å; Y402-F406 WeakPolarHBondContact O-CB 3.27Å; Y402-F406 PolarHBondContact O-N 3.38Å |
| 403 | K | 89.2 | Confident | 88 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 31% | 0.309 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.5 | -32.6 | 179.6 | 176.5 | -173.1 | 169.4 | -165.8 | 0 | 112.8 | W397 S400 V401 F406 D675 | W397-K403 HydrophobicContact CD2-CB 4.15Å; W397-K403 HydrophobicContact CH2-CB 4.42Å; W397-K403 HydrophobicContact CZ2-CB 4.03Å; W397-K403 HydrophobicContact CZ2-CG 4.22Å; W397-K403 WeakPolarHBondContact O-CB 3.38Å; S400-K403 PolarHBondContact O-N 2.91Å; S400-K403 VanDerWaalsContact O-N 3.13Å; V401-K403 PolarHBondContact O-N 2.8Å; K403-F406 WeakPolarHBondContact O-CD1 3.37Å; K403-F406 VanDerWaalsContact O-CE1 3.31Å; K403-F406 WeakPolarHBondContact O-CE1 3.25Å; K403-D675 VanDerWaalsContact NZ-CG 3.29Å; K403-D675 IonicContact NZ-OD1 3.1Å; K403-D675 PolarHBondContact NZ-OD1 3.48Å; K403-D675 IonicContact NZ-OD2 2.71Å; K403-D675 PolarHBondContact NZ-OD2 3.48Å |
| 404 | I | 88.4 | Confident | 88.8 | Confident | 31 Ų | 31 | 64.6 Ų | 64.6 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -85.6 | -22.8 | -179 | 62.7 | -177.7 | 0 | 0 | 0 | 112.9 | V12 S400 V401 Y402 K662 | V12-I404 HydrophobicContact CG1-CB 4.18Å; V12-I404 HydrophobicContact CG1-CG2 4.41Å; S400-I404 PolarHBondContact O-N 2.91Å; V401-I404 WeakPolarHBondContact O-CG1 3.48Å; V401-I404 PolarHBondContact O-N 3.34Å; Y402-I404 VanDerWaalsContact C-N 3.31Å; Y402-I404 PolarHBondContact O-N 3.14Å; I404-K662 HydrophobicContact CB-CB 4.41Å; I404-K662 HydrophobicContact CD1-CB 3.58Å; I404-K662 HydrophobicContact CG1-CB 3.94Å |
| 405 | I | 92.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -102.4 | -16.5 | -179.7 | 74.9 | -175.9 | 0 | 0 | 0 | 114.7 | V401 Y402 K407 D408 L409 I655 I658 K662 | V401-I405 HydrophobicContact CG2-CD1 4.37Å; V401-I405 HydrophobicContact CG2-CG2 4.18Å; V401-I405 VanDerWaalsContact O-CG1 3.25Å; V401-I405 WeakPolarHBondContact O-CG1 3.45Å; V401-I405 WeakPolarHBondContact O-CG2 3.49Å; V401-I405 PolarHBondContact O-N 3.32Å; V401-I405 VanDerWaalsContact O-N 3.08Å; Y402-I405 PolarHBondContact O-N 3.12Å; I405-K407 PolarHBondContact O-N 3.36Å; I405-D408 PolarHBondContact O-N 3.4Å; I405-L409 WeakPolarHBondContact O-CB 3.42Å; I405-L409 PolarHBondContact O-N 3.17Å; I405-I655 HydrophobicContact CD1-CB 4.08Å; I405-I655 HydrophobicContact CD1-CG1 3.69Å; I405-I655 HydrophobicContact CD1-CG2 4.18Å; I405-I658 HydrophobicContact CB-CG2 4.34Å; I405-I658 HydrophobicContact CG2-CG2 3.91Å; I405-K662 HydrophobicContact CG2-CG 4.13Å |
| 406 | F | 92.9 | Very high | 89.7 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.2 | -34 | -166.7 | 78.7 | -80.6 | 0 | 0 | 0 | 113.7 | W397 Y402 K403 F410 | W397-F406 HydrophobicContact CH2-CB 4.2Å; W397-F406 HydrophobicContact CH2-CD1 4.08Å; W397-F406 HydrophobicContact CH2-CG 4.15Å; W397-F406 HydrophobicContact CZ2-CD1 4.16Å; W397-F406 HydrophobicContact CZ2-CE1 4.39Å; Y402-F406 WeakPolarHBondContact O-CB 3.27Å; Y402-F406 PolarHBondContact O-N 3.38Å; K403-F406 WeakPolarHBondContact O-CD1 3.37Å; K403-F406 VanDerWaalsContact O-CE1 3.31Å; K403-F406 WeakPolarHBondContact O-CE1 3.25Å; F406-F410 WeakPolarHBondContact O-CB 3.2Å; F406-F410 PolarHBondContact O-N 3.19Å |
| 407 | K | 92.6 | Very high | 90.2 | Very high | 109 Ų | 109 | 57.2 Ų | 57.2 | 47% | 0.474 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.2 | -46.7 | 176.7 | -64.1 | -175.2 | -179.6 | 179.3 | 0 | 111.3 | L14 I405 L409 F410 I411 | L14-K407 HydrophobicContact CB-CD 4.44Å; L14-K407 HydrophobicContact CD1-CB 4.14Å; I405-K407 PolarHBondContact O-N 3.36Å; K407-L409 VanDerWaalsContact C-N 3.32Å; K407-F410 PolarHBondContact O-N 3.1Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 3.13Å |
| 408 | D | 92.6 | Very high | 90.6 | Very high | 11 Ų | 11 | 54.3 Ų | 54.3 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.5 | -57.6 | -106.3 | 0 | 0 | 0 | 110.3 | L14 I405 I411 F412 Y622 F654 I658 K662 | L14-D408 HydrophobicContact CD1-CB 4.36Å; I405-D408 PolarHBondContact O-N 3.4Å; D408-I411 PolarHBondContact O-N 3.4Å; D408-F412 WeakPolarHBondContact O-CB 3.25Å; D408-F412 PolarHBondContact O-N 3.32Å; D408-Y622 PolarHBondContact OD1-OH 3.34Å; D408-F654 VanDerWaalsContact C-CZ 3.48Å; D408-F654 HydrophobicContact CB-CE1 4.03Å; D408-F654 HydrophobicContact CB-CZ 3.84Å; D408-F654 WeakPolarHBondContact O-CZ 3.19Å; D408-I658 HydrophobicContact CB-CG2 4.35Å; D408-K662 VanDerWaalsContact CG-NZ 3.3Å; D408-K662 WeakPolarHBondContact OD1-CE 3.13Å; D408-K662 IonicContact OD1-NZ 2.72Å; D408-K662 PolarHBondContact OD1-NZ 3.11Å; D408-K662 VanDerWaalsContact OD2-CE 3.25Å; D408-K662 WeakPolarHBondContact OD2-CE 2.99Å; D408-K662 IonicContact OD2-NZ 2.78Å; D408-K662 PolarHBondContact OD2-NZ 3.26Å |
| 409 | L | 94.5 | Very high | 91.1 | Very high | 30 Ų | 30 | 53 Ų | 53 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.2 | -179.7 | 62.6 | 0 | 0 | 0 | 111.8 | I405 K407 I411 F412 L413 I651 F654 | I405-L409 WeakPolarHBondContact O-CB 3.42Å; I405-L409 PolarHBondContact O-N 3.17Å; K407-L409 VanDerWaalsContact C-N 3.32Å; L409-I411 PolarHBondContact O-N 3.11Å; L409-F412 PolarHBondContact O-N 3.23Å; L409-L413 HydrophobicContact CD1-CD1 4.21Å; L409-L413 HydrophobicContact CD1-CG 4.16Å; L409-L413 HydrophobicContact CG-CD1 4.08Å; L409-L413 HydrophobicContact CG-CG 4.43Å; L409-L413 WeakPolarHBondContact O-CB 3.18Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.41Å; L409-L413 PolarHBondContact O-N 3.31Å; L409-I651 HydrophobicContact CD1-CG1 4.49Å; L409-I651 HydrophobicContact CD1-CG2 4.34Å; L409-I651 HydrophobicContact CD2-CG2 4.44Å; L409-F654 HydrophobicContact CB-CD1 4.05Å; L409-F654 HydrophobicContact CB-CE1 3.79Å; L409-F654 HydrophobicContact CD1-CB 4.3Å; L409-F654 HydrophobicContact CD1-CD1 3.75Å; L409-F654 HydrophobicContact CD1-CE1 4.22Å; L409-F654 HydrophobicContact CD1-CG 3.98Å; L409-F654 HydrophobicContact CG-CD1 4.47Å |
| 410 | F | 95.2 | Very high | 91.5 | Very high | 147 Ų | 147 | 53 Ų | 53 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 176.4 | 176.9 | -96.6 | 0 | 0 | 0 | 111.4 | F406 K407 L413 A414 | F406-F410 WeakPolarHBondContact O-CB 3.2Å; F406-F410 PolarHBondContact O-N 3.19Å; K407-F410 PolarHBondContact O-N 3.1Å; F410-L413 PolarHBondContact O-N 3.11Å; F410-A414 VanDerWaalsContact O-CB 3.3Å; F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.93Å |
| 411 | I | 94.2 | Very high | 91.5 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 36% | 0.359 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 177.1 | -70.6 | 164.4 | 0 | 0 | 0 | 110.7 | L14 K407 D408 L409 L413 A414 I415 | L14-I411 HydrophobicContact CD1-CD1 3.64Å; L14-I411 HydrophobicContact CD2-CD1 3.37Å; L14-I411 HydrophobicContact CG-CD1 4.11Å; K407-I411 WeakPolarHBondContact O-CG1 3.45Å; K407-I411 PolarHBondContact O-N 3.13Å; D408-I411 PolarHBondContact O-N 3.4Å; L409-I411 PolarHBondContact O-N 3.11Å; I411-L413 PolarHBondContact O-N 3.35Å; I411-A414 PolarHBondContact O-N 3.44Å; I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 WeakPolarHBondContact O-CG1 3.25Å; I411-I415 PolarHBondContact O-N 3.49Å |
| 412 | F | 94.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 176.1 | 177.9 | -92.8 | 0 | 0 | 0 | 111.5 | D408 L409 I415 Y416 F625 C628 L629 V650 F654 | D408-F412 WeakPolarHBondContact O-CB 3.25Å; D408-F412 PolarHBondContact O-N 3.32Å; L409-F412 PolarHBondContact O-N 3.23Å; F412-I415 PolarHBondContact O-N 3.28Å; F412-Y416 VanDerWaalsContact O-CB 3.29Å; F412-Y416 WeakPolarHBondContact O-CB 3.22Å; F412-Y416 PolarHBondContact O-N 3.38Å; F412-F625 HydrophobicContact CD2-CB 4.23Å; F412-F625 HydrophobicContact CE2-CB 3.92Å; F412-F625 AromaticContact CE2-CD1 3.98Å; F412-F625 HydrophobicContact CE2-CD1 3.98Å; F412-F625 HydrophobicContact CE2-CG 4.37Å; F412-F625 HydrophobicContact CZ-CD1 4.28Å; F412-C628 HydrophobicContact CZ-CB 4.43Å; F412-L629 HydrophobicContact CD2-CD1 4.49Å; F412-L629 HydrophobicContact CD2-CD2 3.79Å; F412-L629 HydrophobicContact CD2-CG 4.05Å; F412-L629 HydrophobicContact CE1-CD2 4.5Å; F412-L629 HydrophobicContact CE2-CD1 4.46Å; F412-L629 HydrophobicContact CE2-CD2 3.53Å; F412-L629 HydrophobicContact CE2-CG 3.62Å; F412-L629 HydrophobicContact CG-CD2 4.39Å; F412-L629 HydrophobicContact CZ-CD2 3.9Å; F412-L629 HydrophobicContact CZ-CG 4.31Å; F412-V650 HydrophobicContact CE1-CG1 3.7Å; F412-V650 HydrophobicContact CZ-CG1 3.54Å; F412-F654 HydrophobicContact CB-CD2 4.13Å; F412-F654 HydrophobicContact CB-CE2 3.48Å; F412-F654 VanDerWaalsContact CB-CE2 3.48Å; F412-F654 HydrophobicContact CB-CZ 3.93Å; F412-F654 AromaticContact CD1-CD2 3.99Å; F412-F654 HydrophobicContact CD1-CD2 3.99Å; F412-F654 HydrophobicContact CD1-CE2 4.22Å; F412-F654 AromaticContact CD2-CD2 3.92Å; F412-F654 HydrophobicContact CD2-CD2 3.92Å; F412-F654 AromaticContact CD2-CE2 3.67Å; F412-F654 HydrophobicContact CD2-CE2 3.67Å; F412-F654 HydrophobicContact CE1-CD2 4.44Å; F412-F654 HydrophobicContact CE2-CD2 4.35Å; F412-F654 HydrophobicContact CE2-CE2 4.48Å; F412-F654 AromaticContact CG-CD2 3.73Å; F412-F654 HydrophobicContact CG-CD2 3.73Å; F412-F654 AromaticContact CG-CE2 3.51Å; F412-F654 HydrophobicContact CG-CE2 3.51Å; F412-F654 HydrophobicContact CG-CZ 4.41Å |
| 413 | L | 93.7 | Very high | 91.4 | Very high | 38 Ų | 38 | 53.9 Ų | 53.9 | 20% | 0.199 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 177.6 | -70.8 | 176 | 0 | 0 | 0 | 112.2 | L409 F410 I411 I415 Y416 Y417 P647 I651 | L409-L413 HydrophobicContact CD1-CD1 4.21Å; L409-L413 HydrophobicContact CD1-CG 4.16Å; L409-L413 HydrophobicContact CG-CD1 4.08Å; L409-L413 HydrophobicContact CG-CG 4.43Å; L409-L413 WeakPolarHBondContact O-CB 3.18Å; L409-L413 VanDerWaalsContact O-CG 3.31Å; L409-L413 WeakPolarHBondContact O-CG 3.41Å; L409-L413 PolarHBondContact O-N 3.31Å; F410-L413 PolarHBondContact O-N 3.11Å; I411-L413 PolarHBondContact O-N 3.35Å; L413-I415 PolarHBondContact O-N 3.27Å; L413-Y416 PolarHBondContact O-N 3.07Å; L413-Y417 HydrophobicContact CB-CD2 4.3Å; L413-Y417 HydrophobicContact CB-CE2 4.3Å; L413-Y417 HydrophobicContact CD2-CE2 4.2Å; L413-Y417 WeakPolarHBondContact O-CB 3.42Å; L413-Y417 WeakPolarHBondContact O-CD2 3.35Å; L413-Y417 PolarHBondContact O-N 3.08Å; L413-P647 HydrophobicContact CD2-CG 4.16Å; L413-I651 HydrophobicContact CD2-CD1 4.06Å; L413-I651 HydrophobicContact CD2-CG1 4.01Å |
| 414 | A | 94.6 | Very high | 91.1 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | F410 I411 T418 | F410-A414 VanDerWaalsContact O-CB 3.3Å; F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.93Å; I411-A414 PolarHBondContact O-N 3.44Å; A414-T418 VanDerWaalsContact O-CB 3.28Å; A414-T418 WeakPolarHBondContact O-CB 3.29Å; A414-T418 PolarHBondContact O-N 3.24Å; A414-T418 PolarHBondContact O-OG1 3.07Å |
| 415 | I | 94.1 | Very high | 91.1 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 175.9 | -62 | 166.5 | 0 | 0 | 0 | 110.4 | I411 F412 L413 Y417 T418 L419 L629 | I411-I415 HydrophobicContact CG2-CD1 3.86Å; I411-I415 WeakPolarHBondContact O-CG1 3.25Å; I411-I415 PolarHBondContact O-N 3.49Å; F412-I415 PolarHBondContact O-N 3.28Å; L413-I415 PolarHBondContact O-N 3.27Å; I415-Y417 PolarHBondContact O-N 3.18Å; I415-T418 PolarHBondContact O-N 2.98Å; I415-L419 HydrophobicContact CG2-CD1 4.12Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.41Å; I415-L419 PolarHBondContact O-N 3.45Å; I415-L629 HydrophobicContact CB-CD1 4.35Å; I415-L629 HydrophobicContact CB-CD2 4.22Å; I415-L629 HydrophobicContact CG2-CD1 3.73Å; I415-L629 HydrophobicContact CG2-CD2 4.03Å; I415-L629 HydrophobicContact CG2-CG 4.45Å |
| 416 | Y | 91 | Very high | 91.1 | Very high | 5 Ų | 5 | 64 Ų | 64 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56 | -51.5 | 178.9 | -177.6 | -90.3 | 0 | 0 | 0 | 111.6 | F412 L413 L419 N420 L629 R632 Q633 P647 | F412-Y416 VanDerWaalsContact O-CB 3.29Å; F412-Y416 WeakPolarHBondContact O-CB 3.22Å; F412-Y416 PolarHBondContact O-N 3.38Å; L413-Y416 PolarHBondContact O-N 3.07Å; Y416-L419 PolarHBondContact O-N 3.35Å; Y416-N420 WeakPolarHBondContact O-CB 3.37Å; Y416-N420 PolarHBondContact O-N 3.31Å; Y416-L629 HydrophobicContact CD2-CD2 4.37Å; Y416-R632 PolarHBondContact OH-O 3.45Å; Y416-Q633 HydrophobicContact CE2-CG 4.49Å; Y416-Q633 PolarHBondContact O-NE2 2.86Å; Y416-Q633 VanDerWaalsContact O-NE2 3.09Å; Y416-P647 HydrophobicContact CD1-CG 3.93Å; Y416-P647 HydrophobicContact CE1-CB 3.96Å; Y416-P647 HydrophobicContact CE1-CG 3.65Å; Y416-P647 HydrophobicContact CE2-CB 4.2Å; Y416-P647 HydrophobicContact CE2-CG 4.37Å; Y416-P647 HydrophobicContact CG-CG 4.41Å |
| 417 | Y | 90.5 | Very high | 90.8 | Very high | 83 Ų | 83 | 62.5 Ų | 62.5 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.3 | -31.7 | 179.1 | -73 | -61.3 | 0 | 0 | 0 | 112.7 | L413 I415 L419 N420 L421 | L413-Y417 HydrophobicContact CB-CD2 4.3Å; L413-Y417 HydrophobicContact CB-CE2 4.3Å; L413-Y417 HydrophobicContact CD2-CE2 4.2Å; L413-Y417 WeakPolarHBondContact O-CB 3.42Å; L413-Y417 WeakPolarHBondContact O-CD2 3.35Å; L413-Y417 PolarHBondContact O-N 3.08Å; I415-Y417 PolarHBondContact O-N 3.18Å; Y417-L419 VanDerWaalsContact C-N 3.35Å; Y417-N420 PolarHBondContact O-N 3.1Å; Y417-L421 WeakPolarHBondContact O-CB 3.34Å; Y417-L421 VanDerWaalsContact O-CG 3.22Å; Y417-L421 WeakPolarHBondContact O-CG 3.48Å; Y417-L421 PolarHBondContact O-N 3.35Å |
| 418 | T | 91.6 | Very high | 90.8 | Very high | 84 Ų | 84 | 61.1 Ų | 61.1 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 173.1 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | A414 I415 T422 | A414-T418 VanDerWaalsContact O-CB 3.28Å; A414-T418 WeakPolarHBondContact O-CB 3.29Å; A414-T418 PolarHBondContact O-N 3.24Å; A414-T418 PolarHBondContact O-OG1 3.07Å; I415-T418 PolarHBondContact O-N 2.98Å; T418-T422 VanDerWaalsContact O-CB 3.31Å; T418-T422 WeakPolarHBondContact O-CB 3.44Å; T418-T422 PolarHBondContact O-N 3.48Å; T418-T422 PolarHBondContact O-OG1 3.11Å |
| 419 | L | 88.8 | Confident | 90.6 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 26% | 0.257 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.6 | -72.5 | 172.5 | 0 | 0 | 0 | 111.5 | I415 Y416 Y417 T422 Y423 L629 L630 | I415-L419 HydrophobicContact CG2-CD1 4.12Å; I415-L419 HydrophobicContact CG2-CG 4.46Å; I415-L419 WeakPolarHBondContact O-CG 3.41Å; I415-L419 PolarHBondContact O-N 3.45Å; Y416-L419 PolarHBondContact O-N 3.35Å; Y417-L419 VanDerWaalsContact C-N 3.35Å; L419-T422 PolarHBondContact O-N 3.06Å; L419-Y423 WeakPolarHBondContact O-CB 3.45Å; L419-Y423 PolarHBondContact O-N 3.47Å; L419-L629 HydrophobicContact CD1-CB 4.19Å; L419-L630 HydrophobicContact CD1-CD2 4.25Å |
| 420 | N | 86.8 | Confident | 90.2 | Very high | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.8 | -48.9 | 177.7 | -174.7 | -92.6 | 0 | 0 | 0 | 112.1 | Y416 Y417 Y423 H424 | Y416-N420 WeakPolarHBondContact O-CB 3.37Å; Y416-N420 PolarHBondContact O-N 3.31Å; Y417-N420 PolarHBondContact O-N 3.1Å; N420-Y423 WeakPolarHBondContact O-CB 3.38Å; N420-Y423 PolarHBondContact O-N 2.94Å; N420-H424 PolarHBondContact O-CD2 3.36Å; N420-H424 PolarHBondContact O-N 3.16Å; N420-H424 PolarHBondContact OD1-CD2 3.04Å |
| 421 | L | 87.9 | Confident | 89.9 | Confident | 93 Ų | 93 | 71 Ų | 71 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 177.8 | -70.8 | 171.5 | 0 | 0 | 0 | 111.9 | Y417 Y423 H424 H425 | Y417-L421 WeakPolarHBondContact O-CB 3.34Å; Y417-L421 VanDerWaalsContact O-CG 3.22Å; Y417-L421 WeakPolarHBondContact O-CG 3.48Å; Y417-L421 PolarHBondContact O-N 3.35Å; L421-Y423 VanDerWaalsContact C-N 3.3Å; L421-Y423 PolarHBondContact O-N 3.16Å; L421-H424 PolarHBondContact O-N 2.99Å; L421-H425 WeakPolarHBondContact O-CB 3.46Å; L421-H425 PolarHBondContact O-CD2 3.31Å; L421-H425 PolarHBondContact O-N 3.33Å |
| 422 | T | 88.6 | Confident | 89.5 | Confident | 49 Ų | 49 | 69.7 Ų | 69.7 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | T418 L419 C426 F427 | T418-T422 VanDerWaalsContact O-CB 3.31Å; T418-T422 WeakPolarHBondContact O-CB 3.44Å; T418-T422 PolarHBondContact O-N 3.48Å; T418-T422 PolarHBondContact O-OG1 3.11Å; L419-T422 PolarHBondContact O-N 3.06Å; T422-C426 HydrophobicContact CG2-CB 3.96Å; T422-C426 CarbonylContact O-C 3.51Å; T422-C426 WeakPolarHBondContact O-CA 3.41Å; T422-C426 WeakPolarHBondContact O-CB 3.48Å; T422-C426 PolarHBondContact O-N 3.38Å; T422-F427 HydrophobicContact CG2-CD1 4.08Å; T422-F427 HydrophobicContact CG2-CE1 3.61Å; T422-F427 HydrophobicContact CG2-CZ 4.23Å; T422-F427 PolarHBondContact O-N 3.44Å |
| 423 | Y | 85.5 | Confident | 89 | Confident | 10 Ų | 10 | 75.1 Ų | 75.1 | 4% | 0.039 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -46 | 176.2 | 167.9 | -84 | 0 | 0 | 0 | 112.5 | L419 N420 L421 F427 Q432 F435 K436 F634 | L419-Y423 WeakPolarHBondContact O-CB 3.45Å; L419-Y423 PolarHBondContact O-N 3.47Å; N420-Y423 WeakPolarHBondContact O-CB 3.38Å; N420-Y423 PolarHBondContact O-N 2.94Å; L421-Y423 VanDerWaalsContact C-N 3.3Å; L421-Y423 PolarHBondContact O-N 3.16Å; Y423-F427 AromaticContact CD2-CD2 3.92Å; Y423-F427 HydrophobicContact CD2-CD2 3.92Å; Y423-F427 HydrophobicContact CD2-CE2 4.42Å; Y423-F427 HydrophobicContact CG-CD2 4.39Å; Y423-F427 WeakPolarHBondContact O-CB 3.44Å; Y423-Q432 HydrophobicContact CD2-CB 4.26Å; Y423-Q432 HydrophobicContact CD2-CG 3.95Å; Y423-Q432 HydrophobicContact CE1-CG 4.35Å; Y423-Q432 HydrophobicContact CE2-CB 3.54Å; Y423-Q432 HydrophobicContact CE2-CG 3.61Å; Y423-Q432 HydrophobicContact CG-CG 4.46Å; Y423-Q432 PolarHBondContact O-NE2 2.88Å; Y423-F435 HydrophobicContact CD2-CB 4.23Å; Y423-F435 AromaticContact CD2-CD1 3.99Å; Y423-F435 HydrophobicContact CD2-CD1 3.99Å; Y423-F435 HydrophobicContact CD2-CG 4.24Å; Y423-F435 HydrophobicContact CE2-CB 4.49Å; Y423-F435 HydrophobicContact CE2-CD1 4.43Å; Y423-K436 WeakPolarHBondContact OH-CE 3.41Å; Y423-F634 HydrophobicContact CD1-CD1 4.42Å; Y423-F634 AromaticContact CD1-CE1 3.31Å; Y423-F634 HydrophobicContact CD1-CE1 3.31Å; Y423-F634 AromaticContact CD1-CE2 4Å; Y423-F634 HydrophobicContact CD1-CE2 4Å; Y423-F634 AromaticContact CD1-CZ 3.07Å; Y423-F634 HydrophobicContact CD1-CZ 3.07Å; Y423-F634 HydrophobicContact CD2-CD2 4.43Å; Y423-F634 HydrophobicContact CD2-CE1 4.27Å; Y423-F634 AromaticContact CD2-CE2 3.44Å; Y423-F634 HydrophobicContact CD2-CE2 3.44Å; Y423-F634 VanDerWaalsContact CD2-CE2 3.44Å; Y423-F634 AromaticContact CD2-CZ 3.4Å; Y423-F634 HydrophobicContact CD2-CZ 3.4Å; Y423-F634 VanDerWaalsContact CD2-CZ 3.4Å; Y423-F634 AromaticContact CE1-CD1 4Å; Y423-F634 HydrophobicContact CE1-CD1 4Å; Y423-F634 AromaticContact CE1-CE1 3.26Å; Y423-F634 HydrophobicContact CE1-CE1 3.26Å; Y423-F634 HydrophobicContact CE1-CE2 4.16Å; Y423-F634 AromaticContact CE1-CZ 3.41Å; Y423-F634 HydrophobicContact CE1-CZ 3.41Å; Y423-F634 VanDerWaalsContact CE1-CZ 3.41Å; Y423-F634 HydrophobicContact CE2-CD2 4.18Å; Y423-F634 HydrophobicContact CE2-CE1 4.21Å; Y423-F634 AromaticContact CE2-CE2 3.6Å; Y423-F634 HydrophobicContact CE2-CE2 3.6Å; Y423-F634 AromaticContact CE2-CZ 3.68Å; Y423-F634 HydrophobicContact CE2-CZ 3.68Å; Y423-F634 AromaticContact CG-CE1 3.86Å; Y423-F634 HydrophobicContact CG-CE1 3.86Å; Y423-F634 AromaticContact CG-CE2 3.66Å; Y423-F634 HydrophobicContact CG-CE2 3.66Å; Y423-F634 AromaticContact CG-CZ 3.09Å; Y423-F634 HydrophobicContact CG-CZ 3.09Å; Y423-F634 AromaticContact CZ-CE1 3.74Å; Y423-F634 AromaticContact CZ-CE2 3.97Å; Y423-F634 AromaticContact CZ-CZ 3.7Å |
| 424 | H | 84.6 | Confident | 88.5 | Confident | 77 Ų | 77 | 77.8 Ų | 77.8 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -76.9 | -32.4 | -175.6 | -77.3 | -66.9 | 0 | 0 | 0 | 113.5 | N420 L421 F634 | N420-H424 PolarHBondContact O-CD2 3.36Å; N420-H424 PolarHBondContact O-N 3.16Å; N420-H424 PolarHBondContact OD1-CD2 3.04Å; L421-H424 PolarHBondContact O-N 2.99Å; H424-F634 AromaticContact NE2-CE1 3.82Å |
| 425 | H | 87.9 | Confident | 88 | Confident | 149 Ų | 149 | 77 Ų | 77 | 69% | 0.69 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -113.8 | -19.9 | -170.4 | -60 | -60.6 | 0 | 0 | 0 | 114.9 | L421 | L421-H425 WeakPolarHBondContact O-CB 3.46Å; L421-H425 PolarHBondContact O-CD2 3.31Å; L421-H425 PolarHBondContact O-N 3.33Å |
| 426 | C | 90.7 | Very high | 87.4 | Confident | 90 Ų | 90 | 77.9 Ų | 77.9 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -27.4 | -176.8 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | T422 | T422-C426 HydrophobicContact CG2-CB 3.96Å; T422-C426 CarbonylContact O-C 3.51Å; T422-C426 WeakPolarHBondContact O-CA 3.41Å; T422-C426 WeakPolarHBondContact O-CB 3.48Å; T422-C426 PolarHBondContact O-N 3.38Å |
| 427 | F | 88.1 | Confident | 86.8 | Confident | 62 Ų | 62 | 80 Ų | 80 | 27% | 0.272 | 41% | 0.405 | S | S | . | . | trans | -80.4 | 136 | -178.6 | -72.4 | 1.5 | 0 | 0 | 0 | 112.4 | T422 Y423 Q431 Q432 F435 | T422-F427 HydrophobicContact CG2-CD1 4.08Å; T422-F427 HydrophobicContact CG2-CE1 3.61Å; T422-F427 HydrophobicContact CG2-CZ 4.23Å; T422-F427 PolarHBondContact O-N 3.44Å; Y423-F427 AromaticContact CD2-CD2 3.92Å; Y423-F427 HydrophobicContact CD2-CD2 3.92Å; Y423-F427 HydrophobicContact CD2-CE2 4.42Å; Y423-F427 HydrophobicContact CG-CD2 4.39Å; Y423-F427 WeakPolarHBondContact O-CB 3.44Å; F427-Q431 HydrophobicContact CB-CB 3.83Å; F427-Q431 HydrophobicContact CD1-CB 4.48Å; F427-Q431 HydrophobicContact CD2-CB 4.22Å; F427-Q431 HydrophobicContact CG-CB 3.95Å; F427-Q432 HydrophobicContact CB-CG 3.68Å; F427-F435 HydrophobicContact CD2-CB 4.29Å; F427-F435 HydrophobicContact CE2-CB 3.96Å; F427-F435 AromaticContact CE2-CD2 3.72Å; F427-F435 HydrophobicContact CE2-CD2 3.72Å; F427-F435 HydrophobicContact CE2-CE2 4.49Å; F427-F435 AromaticContact CE2-CG 3.97Å; F427-F435 HydrophobicContact CE2-CG 3.97Å; F427-F435 HydrophobicContact CZ-CD2 4.39Å | ||
| 428 | T | 92.6 | Very high | 86.4 | Confident | 80 Ų | 80 | 77.7 Ų | 77.7 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | trans | -68.1 | 161.1 | 164.9 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | K430 Q431 Q432 | T428-K430 PolarHBondContact O-N 2.78Å; T428-Q431 WeakPolarHBondContact O-CA 3.44Å; T428-Q431 WeakPolarHBondContact O-CB 3.14Å; T428-Q431 PolarHBondContact O-N 2.82Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.1Å; T428-Q431 PolarHBondContact OG1-N 3.38Å; T428-Q431 PolarHBondContact OG1-OE1 3.01Å; T428-Q431 VanDerWaalsContact OG1-OE1 3.04Å; T428-Q432 WeakPolarHBondContact O-CG 3.47Å; T428-Q432 PolarHBondContact O-N 2.8Å | ||
| 429 | E | 87 | Confident | 86 | Confident | 153 Ų | 153 | 73.9 Ų | 73.9 | 72% | 0.715 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -53.9 | -40.9 | 179.2 | -64.2 | -174.1 | 166.8 | 0 | 0 | 112.8 | Q432 Q433 | E429-Q432 PolarHBondContact O-N 3.28Å; E429-Q433 WeakPolarHBondContact O-CG 3.28Å; E429-Q433 PolarHBondContact O-N 2.99Å |
| 430 | K | 87.8 | Confident | 85.5 | Confident | 151 Ų | 151 | 74.3 Ų | 74.3 | 66% | 0.657 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.9 | -42.7 | 175.4 | -173.8 | 174.6 | -178.3 | 176.2 | 0 | 112 | T428 Q433 N434 | T428-K430 PolarHBondContact O-N 2.78Å; K430-Q433 PolarHBondContact O-N 3.42Å; K430-N434 VanDerWaalsContact O-CG 3.32Å; K430-N434 PolarHBondContact O-N 3.47Å; K430-N434 PolarHBondContact O-OD1 3.09Å |
| 431 | Q | 88.5 | Confident | 85.1 | Confident | 91 Ų | 91 | 73.9 Ų | 73.9 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 176.6 | -73.5 | 168.8 | -38.7 | 0 | 0 | 112 | F427 T428 N434 F435 | F427-Q431 HydrophobicContact CB-CB 3.83Å; F427-Q431 HydrophobicContact CD1-CB 4.48Å; F427-Q431 HydrophobicContact CD2-CB 4.22Å; F427-Q431 HydrophobicContact CG-CB 3.95Å; T428-Q431 WeakPolarHBondContact O-CA 3.44Å; T428-Q431 WeakPolarHBondContact O-CB 3.14Å; T428-Q431 PolarHBondContact O-N 2.82Å; T428-Q431 WeakPolarHBondContact OG1-CG 3.1Å; T428-Q431 PolarHBondContact OG1-N 3.38Å; T428-Q431 PolarHBondContact OG1-OE1 3.01Å; T428-Q431 VanDerWaalsContact OG1-OE1 3.04Å; Q431-N434 PolarHBondContact O-N 3.26Å; Q431-F435 WeakPolarHBondContact O-CB 3.41Å; Q431-F435 PolarHBondContact O-N 2.96Å |
| 432 | Q | 85.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 70.9 Ų | 70.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.6 | -69.9 | -177.8 | -4.2 | 0 | 0 | 111.8 | Y423 F427 T428 E429 F435 K436 | Y423-Q432 HydrophobicContact CD2-CB 4.26Å; Y423-Q432 HydrophobicContact CD2-CG 3.95Å; Y423-Q432 HydrophobicContact CE1-CG 4.35Å; Y423-Q432 HydrophobicContact CE2-CB 3.54Å; Y423-Q432 HydrophobicContact CE2-CG 3.61Å; Y423-Q432 HydrophobicContact CG-CG 4.46Å; Y423-Q432 PolarHBondContact O-NE2 2.88Å; F427-Q432 HydrophobicContact CB-CG 3.68Å; T428-Q432 WeakPolarHBondContact O-CG 3.47Å; T428-Q432 PolarHBondContact O-N 2.8Å; E429-Q432 PolarHBondContact O-N 3.28Å; Q432-F435 PolarHBondContact O-N 3.17Å; Q432-K436 WeakPolarHBondContact O-CG 3.45Å; Q432-K436 PolarHBondContact O-N 3.38Å |
| 433 | Q | 82.4 | Confident | 84.6 | Confident | 126 Ų | 126 | 73 Ų | 73 | 59% | 0.589 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.8 | -46.7 | 174.6 | -72.1 | 172.2 | 3.2 | 0 | 0 | 111.6 | E429 K430 F435 K436 A437 | E429-Q433 WeakPolarHBondContact O-CG 3.28Å; E429-Q433 PolarHBondContact O-N 2.99Å; K430-Q433 PolarHBondContact O-N 3.42Å; Q433-F435 VanDerWaalsContact C-N 3.34Å; Q433-F435 PolarHBondContact O-N 2.77Å; Q433-K436 WeakPolarHBondContact O-CB 2.96Å; Q433-K436 PolarHBondContact O-N 3.22Å; Q433-A437 PolarHBondContact O-N 3.48Å; Q433-A437 VanDerWaalsContact O-N 3.11Å |
| 434 | N | 82.7 | Confident | 84.1 | Confident | 93 Ų | 93 | 77.4 Ų | 77.4 | 50% | 0.497 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 175.7 | -69.7 | -4.6 | 0 | 0 | 0 | 111.7 | K430 Q431 K436 A437 V438 | K430-N434 VanDerWaalsContact O-CG 3.32Å; K430-N434 PolarHBondContact O-N 3.47Å; K430-N434 PolarHBondContact O-OD1 3.09Å; Q431-N434 PolarHBondContact O-N 3.26Å; N434-K436 VanDerWaalsContact C-N 3.33Å; N434-K436 PolarHBondContact O-N 3.13Å; N434-A437 WeakPolarHBondContact O-CB 3.44Å; N434-A437 PolarHBondContact O-N 3.09Å; N434-V438 WeakPolarHBondContact O-CG2 3.39Å; N434-V438 PolarHBondContact O-N 3.41Å |
| 435 | F | 84.9 | Confident | 83.7 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 12% | 0.118 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 178.5 | -168.8 | -84 | 0 | 0 | 0 | 112.2 | Y423 F427 Q431 Q432 Q433 A437 V438 S439 L630 Q633 F634 | Y423-F435 HydrophobicContact CD2-CB 4.23Å; Y423-F435 AromaticContact CD2-CD1 3.99Å; Y423-F435 HydrophobicContact CD2-CD1 3.99Å; Y423-F435 HydrophobicContact CD2-CG 4.24Å; Y423-F435 HydrophobicContact CE2-CB 4.49Å; Y423-F435 HydrophobicContact CE2-CD1 4.43Å; F427-F435 HydrophobicContact CD2-CB 4.29Å; F427-F435 HydrophobicContact CE2-CB 3.96Å; F427-F435 AromaticContact CE2-CD2 3.72Å; F427-F435 HydrophobicContact CE2-CD2 3.72Å; F427-F435 HydrophobicContact CE2-CE2 4.49Å; F427-F435 AromaticContact CE2-CG 3.97Å; F427-F435 HydrophobicContact CE2-CG 3.97Å; F427-F435 HydrophobicContact CZ-CD2 4.39Å; Q431-F435 WeakPolarHBondContact O-CB 3.41Å; Q431-F435 PolarHBondContact O-N 2.96Å; Q432-F435 PolarHBondContact O-N 3.17Å; Q433-F435 VanDerWaalsContact C-N 3.34Å; Q433-F435 PolarHBondContact O-N 2.77Å; F435-A437 VanDerWaalsContact C-N 3.35Å; F435-V438 WeakPolarHBondContact O-CB 3.38Å; F435-V438 PolarHBondContact O-N 3.13Å; F435-S439 WeakPolarHBondContact O-CB 3.35Å; F435-S439 PolarHBondContact O-N 3.1Å; F435-L630 HydrophobicContact CE2-CD2 4.14Å; F435-L630 HydrophobicContact CZ-CD2 4.05Å; F435-Q633 HydrophobicContact CE1-CB 4.05Å; F435-Q633 HydrophobicContact CE1-CG 4.06Å; F435-Q633 HydrophobicContact CZ-CG 4.21Å; F435-F634 AromaticContact CD1-CD2 3.9Å; F435-F634 HydrophobicContact CD1-CD2 3.9Å; F435-F634 AromaticContact CD1-CE2 3.41Å; F435-F634 HydrophobicContact CD1-CE2 3.41Å; F435-F634 VanDerWaalsContact CD1-CE2 3.41Å; F435-F634 AromaticContact CE1-CD2 3.94Å; F435-F634 HydrophobicContact CE1-CD2 3.94Å; F435-F634 AromaticContact CE1-CE2 3.38Å; F435-F634 HydrophobicContact CE1-CE2 3.38Å; F435-F634 HydrophobicContact CE1-CZ 4.47Å |
| 436 | K | 82.1 | Confident | 83.4 | Confident | 94 Ų | 94 | 67.2 Ų | 67.2 | 41% | 0.409 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 172.9 | -75.3 | 176.8 | -174.7 | 176.3 | 0 | 111.9 | Y423 Q432 Q433 N434 V438 S439 V440 | Y423-K436 WeakPolarHBondContact OH-CE 3.41Å; Q432-K436 WeakPolarHBondContact O-CG 3.45Å; Q432-K436 PolarHBondContact O-N 3.38Å; Q433-K436 WeakPolarHBondContact O-CB 2.96Å; Q433-K436 PolarHBondContact O-N 3.22Å; N434-K436 VanDerWaalsContact C-N 3.33Å; N434-K436 PolarHBondContact O-N 3.13Å; K436-V438 VanDerWaalsContact C-N 3.34Å; K436-V438 PolarHBondContact O-N 3.47Å; K436-S439 WeakPolarHBondContact O-CB 3.49Å; K436-S439 PolarHBondContact O-N 2.73Å; K436-V440 WeakPolarHBondContact O-CG2 3.43Å; K436-V440 PolarHBondContact O-N 3.14Å |
| 437 | A | 78.6 | Confident | 82.7 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I269 Q433 N434 F435 S439 V440 L441 | I269-A437 HydrophobicContact CD1-CB 4.17Å; Q433-A437 PolarHBondContact O-N 3.48Å; Q433-A437 VanDerWaalsContact O-N 3.11Å; N434-A437 WeakPolarHBondContact O-CB 3.44Å; N434-A437 PolarHBondContact O-N 3.09Å; F435-A437 VanDerWaalsContact C-N 3.35Å; A437-S439 PolarHBondContact O-N 3.48Å; A437-V440 PolarHBondContact O-N 2.98Å; A437-L441 PolarHBondContact O-N 3.48Å |
| 438 | V | 81 | Confident | 82.1 | Confident | 33 Ų | 33 | 69 Ų | 69 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 173.3 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | I269 N434 F435 K436 L441 F442 | I269-V438 HydrophobicContact CD1-CB 4.29Å; I269-V438 HydrophobicContact CD1-CG2 3.46Å; I269-V438 VanDerWaalsContact CD1-CG2 3.46Å; I269-V438 HydrophobicContact CG1-CG2 4.31Å; N434-V438 WeakPolarHBondContact O-CG2 3.39Å; N434-V438 PolarHBondContact O-N 3.41Å; F435-V438 WeakPolarHBondContact O-CB 3.38Å; F435-V438 PolarHBondContact O-N 3.13Å; K436-V438 VanDerWaalsContact C-N 3.34Å; K436-V438 PolarHBondContact O-N 3.47Å; V438-L441 WeakPolarHBondContact O-CB 3.29Å; V438-L441 PolarHBondContact O-N 3.18Å; V438-F442 HydrophobicContact CG1-CD2 3.49Å; V438-F442 VanDerWaalsContact CG1-CD2 3.49Å; V438-F442 HydrophobicContact CG1-CE2 3.33Å; V438-F442 VanDerWaalsContact O-CD2 3.23Å; V438-F442 WeakPolarHBondContact O-CD2 3.48Å; V438-F442 PolarHBondContact O-N 2.85Å |
| 439 | S | 82.6 | Confident | 81.4 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.028 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 178.8 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | F435 K436 A437 L441 F442 M443 L630 S631 | F435-S439 WeakPolarHBondContact O-CB 3.35Å; F435-S439 PolarHBondContact O-N 3.1Å; K436-S439 WeakPolarHBondContact O-CB 3.49Å; K436-S439 PolarHBondContact O-N 2.73Å; A437-S439 PolarHBondContact O-N 3.48Å; S439-L441 VanDerWaalsContact C-N 3.3Å; S439-L441 PolarHBondContact O-N 3.5Å; S439-F442 PolarHBondContact O-N 2.97Å; S439-M443 WeakPolarHBondContact O-CB 3.5Å; S439-M443 PolarHBondContact O-N 3.11Å; S439-L630 WeakPolarHBondContact CB-O 3.46Å; S439-L630 PolarHBondContact OG-O 3.32Å; S439-S631 WeakPolarHBondContact O-CA 3.46Å; S439-S631 WeakPolarHBondContact OG-CA 3.47Å; S439-S631 PolarHBondContact OG-O 3.19Å |
| 440 | V | 79.9 | Confident | 81 | Confident | 58 Ų | 58 | 59.2 Ų | 59.2 | 35% | 0.352 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 178.1 | 171.7 | 0 | 0 | 0 | 0 | 111 | K436 A437 M443 K444 | K436-V440 WeakPolarHBondContact O-CG2 3.43Å; K436-V440 PolarHBondContact O-N 3.14Å; A437-V440 PolarHBondContact O-N 2.98Å; V440-M443 WeakPolarHBondContact O-CB 3.28Å; V440-M443 PolarHBondContact O-N 2.88Å; V440-K444 PolarHBondContact O-N 3.18Å |
| 441 | L | 78.7 | Confident | 80.9 | Confident | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.1 | -52 | 176.1 | 174.3 | 63.2 | 0 | 0 | 0 | 111.7 | I269 E270 I276 A437 V438 S439 M443 K444 G445 | I269-L441 HydrophobicContact CB-CD2 3.92Å; I269-L441 HydrophobicContact CG2-CD2 3.81Å; E270-L441 HydrophobicContact CG-CD1 3.64Å; E270-L441 HydrophobicContact CG-CD2 3.7Å; E270-L441 HydrophobicContact CG-CG 4.23Å; I276-L441 HydrophobicContact CD1-CD1 4Å; I276-L441 HydrophobicContact CD1-CG 3.86Å; I276-L441 WeakPolarHBondContact CD1-O 3.4Å; A437-L441 PolarHBondContact O-N 3.48Å; V438-L441 WeakPolarHBondContact O-CB 3.29Å; V438-L441 PolarHBondContact O-N 3.18Å; S439-L441 VanDerWaalsContact C-N 3.3Å; S439-L441 PolarHBondContact O-N 3.5Å; L441-M443 VanDerWaalsContact C-N 3.26Å; L441-M443 PolarHBondContact O-N 3.12Å; L441-K444 PolarHBondContact O-N 3.18Å; L441-G445 PolarHBondContact O-N 2.86Å; L441-G445 VanDerWaalsContact O-N 3.1Å |
| 442 | F | 83 | Confident | 80.8 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.1 | -25.5 | -179.9 | -73.4 | -56.3 | 0 | 0 | 0 | 113.4 | I276 V438 S439 G445 N446 L627 L630 | I276-F442 HydrophobicContact CD1-CD1 3.82Å; I276-F442 HydrophobicContact CD1-CE1 4.31Å; I276-F442 HydrophobicContact CG1-CD1 3.82Å; I276-F442 HydrophobicContact CG1-CE1 4.04Å; V438-F442 HydrophobicContact CG1-CD2 3.49Å; V438-F442 VanDerWaalsContact CG1-CD2 3.49Å; V438-F442 HydrophobicContact CG1-CE2 3.33Å; V438-F442 VanDerWaalsContact O-CD2 3.23Å; V438-F442 WeakPolarHBondContact O-CD2 3.48Å; V438-F442 PolarHBondContact O-N 2.85Å; S439-F442 PolarHBondContact O-N 2.97Å; F442-G445 WeakPolarHBondContact O-CA 3.46Å; F442-G445 PolarHBondContact O-N 3.39Å; F442-G445 VanDerWaalsContact O-N 3.17Å; F442-N446 PolarHBondContact O-N 3.06Å; F442-L627 HydrophobicContact CB-CD2 4.34Å; F442-L627 HydrophobicContact CD1-CD2 3.3Å; F442-L627 HydrophobicContact CE1-CD2 3.79Å; F442-L627 HydrophobicContact CG-CD2 4.07Å; F442-L630 HydrophobicContact CB-CB 4.41Å; F442-L630 HydrophobicContact CD2-CB 3.71Å; F442-L630 HydrophobicContact CD2-CD1 3.6Å; F442-L630 HydrophobicContact CD2-CG 4.3Å; F442-L630 HydrophobicContact CE2-CB 4.33Å; F442-L630 HydrophobicContact CE2-CD1 3.35Å; F442-L630 HydrophobicContact CE2-CG 4.46Å; F442-L630 HydrophobicContact CG-CB 4.32Å; F442-L630 HydrophobicContact CG-CD1 4.39Å; F442-L630 HydrophobicContact CZ-CD1 3.97Å |
| 443 | M | 81.3 | Confident | 80.8 | Confident | 92 Ų | 92 | 52 Ų | 52 | 45% | 0.453 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 173.1 | -170 | 179.9 | 72.2 | 0 | 0 | 110.8 | S439 V440 L441 G445 N446 S631 | S439-M443 WeakPolarHBondContact O-CB 3.5Å; S439-M443 PolarHBondContact O-N 3.11Å; V440-M443 WeakPolarHBondContact O-CB 3.28Å; V440-M443 PolarHBondContact O-N 2.88Å; L441-M443 VanDerWaalsContact C-N 3.26Å; L441-M443 PolarHBondContact O-N 3.12Å; M443-G445 VanDerWaalsContact C-N 3.25Å; M443-G445 PolarHBondContact O-N 3.11Å; M443-N446 WeakPolarHBondContact O-CB 3.42Å; M443-N446 PolarHBondContact O-N 3.19Å; M443-N446 VanDerWaalsContact O-N 3.17Å; M443-S631 VanDerWaalsContact CA-CB 3.45Å |
| 444 | K | 76.4 | Confident | 80.9 | Confident | 104 Ų | 104 | 46 Ų | 46 | 45% | 0.452 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.9 | -34.9 | 172.7 | -64 | 176.4 | -177.3 | 174.3 | 0 | 111.7 | V440 L441 N446 L448 | V440-K444 PolarHBondContact O-N 3.18Å; L441-K444 PolarHBondContact O-N 3.18Å; K444-N446 VanDerWaalsContact C-N 3.31Å; K444-N446 PolarHBondContact O-N 3.17Å; K444-L448 WeakPolarHBondContact O-CD1 3.36Å |
| 445 | G | 76.6 | Confident | 81.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | I276 L441 F442 M443 L448 | I276-G445 VanDerWaalsContact CG2-CA 3.49Å; L441-G445 PolarHBondContact O-N 2.86Å; L441-G445 VanDerWaalsContact O-N 3.1Å; F442-G445 WeakPolarHBondContact O-CA 3.46Å; F442-G445 PolarHBondContact O-N 3.39Å; F442-G445 VanDerWaalsContact O-N 3.17Å; M443-G445 VanDerWaalsContact C-N 3.25Å; M443-G445 PolarHBondContact O-N 3.11Å; G445-L448 WeakPolarHBondContact O-CB 3.17Å; G445-L448 PolarHBondContact O-N 3.2Å |
| 446 | N | 79.7 | Confident | 81.5 | Confident | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.5 | -36.2 | -174.5 | -154.3 | 32.1 | 0 | 0 | 0 | 113.1 | F442 M443 K444 L448 I449 F624 C628 | F442-N446 PolarHBondContact O-N 3.06Å; M443-N446 WeakPolarHBondContact O-CB 3.42Å; M443-N446 PolarHBondContact O-N 3.19Å; M443-N446 VanDerWaalsContact O-N 3.17Å; K444-N446 VanDerWaalsContact C-N 3.31Å; K444-N446 PolarHBondContact O-N 3.17Å; N446-L448 PolarHBondContact O-N 3.35Å; N446-I449 PolarHBondContact O-N 3.41Å; N446-F624 VanDerWaalsContact CG-CE2 3.47Å; N446-F624 VanDerWaalsContact ND2-CE2 3.32Å; N446-F624 WeakPolarHBondContact ND2-CE2 3.33Å; N446-F624 WeakPolarHBondContact OD1-CD2 3.46Å; N446-F624 WeakPolarHBondContact OD1-CE2 3.3Å; N446-C628 PolarHBondContact ND2-SG 3.24Å |
| 447 | E | 77.1 | Confident | 81.9 | Confident | 162 Ų | 162 | 41 Ų | 41 | 76% | 0.757 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.5 | 178.4 | -65.2 | 179.2 | 170.9 | 0 | 0 | 113.1 | ||
| 448 | L | 74.7 | Confident | 82.6 | Confident | 27 Ų | 27 | 38.6 Ų | 38.6 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -5.7 | -174.3 | -60.3 | 160.7 | 0 | 0 | 0 | 113 | L74 I276 Q280 K444 G445 N446 P450 | L74-L448 HydrophobicContact CD2-CD2 4.17Å; I276-L448 HydrophobicContact CG2-CD1 4.21Å; Q280-L448 HydrophobicContact CG-CB 4.11Å; K444-L448 WeakPolarHBondContact O-CD1 3.36Å; G445-L448 WeakPolarHBondContact O-CB 3.17Å; G445-L448 PolarHBondContact O-N 3.2Å; N446-L448 PolarHBondContact O-N 3.35Å; L448-P450 WeakPolarHBondContact O-CD 3.44Å |
| 449 | I | 78.1 | Confident | 83.2 | Confident | 10 Ų | 10 | 38 Ų | 38 | 5% | 0.051 | 20% | 0.196 | C | C | . | . | trans | -100.6 | 104.7 | 175.8 | -49.2 | 179.8 | 0 | 0 | 0 | 108.8 | I279 N446 I451 A620 L627 | I279-I449 HydrophobicContact CG2-CD1 3.76Å; I279-I449 HydrophobicContact CG2-CG1 4.49Å; N446-I449 PolarHBondContact O-N 3.41Å; I449-I451 VanDerWaalsContact C-N 3.29Å; I449-I451 HydrophobicContact CB-CG1 4.38Å; I449-I451 HydrophobicContact CG2-CD1 4.26Å; I449-I451 HydrophobicContact CG2-CG1 3.7Å; I449-I451 PolarHBondContact O-N 2.87Å; I449-A620 HydrophobicContact CG2-CB 4.37Å; I449-L627 HydrophobicContact CD1-CD1 3.68Å | ||
| 450 | P | 79.1 | Confident | 83.7 | Confident | 18 Ų | 18 | 40.8 Ų | 40.8 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | trans | -85.7 | 66.1 | -173 | 39 | -42.7 | 0 | 0 | 0 | 112.2 | T79 F283 Y284 L448 T452 F453 V454 | T79-P450 HydrophobicContact CG2-CB 3.43Å; T79-P450 VanDerWaalsContact CG2-CB 3.43Å; T79-P450 HydrophobicContact CG2-CG 3.47Å; T79-P450 VanDerWaalsContact CG2-CG 3.47Å; T79-P450 WeakPolarHBondContact OG1-CB 3.28Å; T79-P450 WeakPolarHBondContact OG1-CG 3.22Å; F283-P450 VanDerWaalsContact CE1-CD 3.41Å; F283-P450 HydrophobicContact CE1-CG 3.39Å; F283-P450 HydrophobicContact CZ-CG 3.59Å; Y284-P450 HydrophobicContact CE1-CG 4.2Å; Y284-P450 WeakPolarHBondContact OH-CD 3.36Å; Y284-P450 WeakPolarHBondContact OH-CG 3.48Å; L448-P450 WeakPolarHBondContact O-CD 3.44Å; P450-T452 VanDerWaalsContact C-N 3.32Å; P450-T452 PolarHBondContact O-N 3.42Å; P450-F453 HydrophobicContact CB-CD2 4.26Å; P450-F453 PolarHBondContact O-N 2.81Å; P450-V454 PolarHBondContact O-N 3.24Å | ||
| 451 | I | 85 | Confident | 84.2 | Confident | 6 Ų | 6 | 38.7 Ų | 38.7 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | -170.4 | -62.7 | 151.9 | 0 | 0 | 0 | 112.5 | I449 F453 V454 L455 V621 F624 Y657 | I449-I451 VanDerWaalsContact C-N 3.29Å; I449-I451 HydrophobicContact CB-CG1 4.38Å; I449-I451 HydrophobicContact CG2-CD1 4.26Å; I449-I451 HydrophobicContact CG2-CG1 3.7Å; I449-I451 PolarHBondContact O-N 2.87Å; I451-F453 PolarHBondContact O-N 3.15Å; I451-V454 PolarHBondContact O-N 3.12Å; I451-L455 HydrophobicContact CG2-CB 4.25Å; I451-L455 HydrophobicContact CG2-CD2 4.24Å; I451-L455 WeakPolarHBondContact O-CB 3.17Å; I451-L455 PolarHBondContact O-N 3.46Å; I451-V621 HydrophobicContact CG2-CG2 3.85Å; I451-F624 HydrophobicContact CD1-CB 3.1Å; I451-F624 HydrophobicContact CD1-CD1 3.61Å; I451-F624 HydrophobicContact CD1-CD2 3Å; I451-F624 HydrophobicContact CD1-CE1 4.22Å; I451-F624 HydrophobicContact CD1-CE2 3.69Å; I451-F624 HydrophobicContact CD1-CG 2.95Å; I451-F624 HydrophobicContact CD1-CZ 4.25Å; I451-F624 HydrophobicContact CG1-CB 4.18Å; I451-F624 HydrophobicContact CG1-CD2 4.38Å; I451-F624 HydrophobicContact CG1-CG 4.36Å; I451-Y657 HydrophobicContact CD1-CD2 4.45Å; I451-Y657 HydrophobicContact CG2-CD1 4.31Å; I451-Y657 HydrophobicContact CG2-CD2 4.3Å; I451-Y657 HydrophobicContact CG2-CG 4.08Å |
| 452 | T | 87.4 | Confident | 84.9 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 36% | 0.362 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -52.2 | -46.4 | -178.1 | 49.5 | 0 | 0 | 0 | 0 | 110.8 | P450 S456 Y657 | P450-T452 VanDerWaalsContact C-N 3.32Å; P450-T452 PolarHBondContact O-N 3.42Å; T452-S456 WeakPolarHBondContact O-CB 3.24Å; T452-S456 PolarHBondContact O-N 3.4Å; T452-S456 VanDerWaalsContact O-N 3.07Å; T452-S456 PolarHBondContact O-OG 3.19Å; T452-Y657 HydrophobicContact CG2-CE1 3.84Å; T452-Y657 WeakPolarHBondContact CG2-OH 3.42Å |
| 453 | F | 84.7 | Confident | 85.4 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 29% | 0.294 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.7 | -54.3 | -179.9 | -64.9 | -77.8 | 0 | 0 | 0 | 112 | T79 F80 P450 I451 L455 S456 F457 | T79-F453 HydrophobicContact CG2-CB 3.49Å; T79-F453 VanDerWaalsContact CG2-CB 3.49Å; T79-F453 HydrophobicContact CG2-CD2 3.69Å; T79-F453 HydrophobicContact CG2-CG 3.72Å; F80-F453 HydrophobicContact CD1-CD1 4.41Å; F80-F453 AromaticContact CD1-CE1 3.97Å; F80-F453 HydrophobicContact CD1-CE1 3.97Å; F80-F453 HydrophobicContact CE1-CD1 4.1Å; F80-F453 AromaticContact CE1-CE1 3.24Å; F80-F453 HydrophobicContact CE1-CE1 3.24Å; F80-F453 AromaticContact CE1-CZ 3.65Å; F80-F453 HydrophobicContact CE1-CZ 3.65Å; F80-F453 HydrophobicContact CE2-CE1 4.07Å; F80-F453 HydrophobicContact CE2-CE2 4.19Å; F80-F453 AromaticContact CE2-CZ 3.65Å; F80-F453 HydrophobicContact CE2-CZ 3.65Å; F80-F453 HydrophobicContact CZ-CD1 4.38Å; F80-F453 AromaticContact CZ-CE1 3.32Å; F80-F453 HydrophobicContact CZ-CE1 3.32Å; F80-F453 HydrophobicContact CZ-CE2 4.12Å; F80-F453 AromaticContact CZ-CZ 3.15Å; F80-F453 HydrophobicContact CZ-CZ 3.15Å; P450-F453 HydrophobicContact CB-CD2 4.26Å; P450-F453 PolarHBondContact O-N 2.81Å; I451-F453 PolarHBondContact O-N 3.15Å; F453-L455 VanDerWaalsContact C-N 3.33Å; F453-L455 PolarHBondContact O-N 3.48Å; F453-S456 PolarHBondContact O-N 3.4Å; F453-F457 WeakPolarHBondContact O-CD2 3.17Å; F453-F457 PolarHBondContact O-N 3.4Å |
| 454 | V | 84.8 | Confident | 86 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | -176.7 | 165.3 | 0 | 0 | 0 | 0 | 112.1 | F283 W287 P450 I451 F458 V617 | F283-V454 HydrophobicContact CE1-CG2 4.23Å; F283-V454 HydrophobicContact CE2-CB 3.95Å; F283-V454 HydrophobicContact CE2-CG1 4.04Å; F283-V454 HydrophobicContact CE2-CG2 3.45Å; F283-V454 VanDerWaalsContact CE2-CG2 3.45Å; F283-V454 HydrophobicContact CZ-CB 3.99Å; F283-V454 HydrophobicContact CZ-CG2 3.16Å; W287-V454 HydrophobicContact CD2-CG2 3.78Å; W287-V454 HydrophobicContact CE3-CG2 3.49Å; W287-V454 VanDerWaalsContact CE3-CG2 3.49Å; W287-V454 HydrophobicContact CH2-CB 4.34Å; W287-V454 HydrophobicContact CH2-CG2 3.24Å; W287-V454 HydrophobicContact CZ2-CB 4.39Å; W287-V454 HydrophobicContact CZ2-CG2 3.51Å; W287-V454 HydrophobicContact CZ3-CG2 3.23Å; P450-V454 PolarHBondContact O-N 3.24Å; I451-V454 PolarHBondContact O-N 3.12Å; V454-F458 WeakPolarHBondContact O-CB 3.44Å; V454-F458 PolarHBondContact O-N 2.83Å; V454-V617 HydrophobicContact CG1-CB 4.12Å; V454-V617 HydrophobicContact CG1-CG1 4.23Å; V454-V617 HydrophobicContact CG1-CG2 3.55Å |
| 455 | L | 92.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | 179.4 | -173.2 | 57.8 | 0 | 0 | 0 | 111.4 | I451 F453 F458 V459 V617 V621 Y657 L660 L661 | I451-L455 HydrophobicContact CG2-CB 4.25Å; I451-L455 HydrophobicContact CG2-CD2 4.24Å; I451-L455 WeakPolarHBondContact O-CB 3.17Å; I451-L455 PolarHBondContact O-N 3.46Å; F453-L455 VanDerWaalsContact C-N 3.33Å; F453-L455 PolarHBondContact O-N 3.48Å; L455-F458 PolarHBondContact O-N 3.36Å; L455-V459 HydrophobicContact CD1-CG2 4.1Å; L455-V459 HydrophobicContact CG-CG2 4.3Å; L455-V459 WeakPolarHBondContact O-CB 3.18Å; L455-V459 WeakPolarHBondContact O-CG2 3.35Å; L455-V459 PolarHBondContact O-N 2.95Å; L455-V617 HydrophobicContact CD1-CG1 3.85Å; L455-V621 HydrophobicContact CD1-CG2 4.31Å; L455-V621 HydrophobicContact CD2-CG2 4.23Å; L455-Y657 HydrophobicContact CD2-CD1 4.39Å; L455-Y657 WeakPolarHBondContact CD2-O 3.33Å; L455-L660 HydrophobicContact CD1-CB 4.39Å; L455-L660 HydrophobicContact CD2-CB 3.6Å; L455-L660 HydrophobicContact CD2-CD1 4.18Å; L455-L660 HydrophobicContact CG-CB 3.93Å; L455-L661 HydrophobicContact CD1-CB 4.1Å; L455-L661 HydrophobicContact CD1-CD1 4.15Å |
| 456 | S | 89.6 | Confident | 87.6 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -63.9 | -45.3 | 178.9 | -62.2 | 0 | 0 | 0 | 0 | 112.2 | T452 F453 F458 V459 D460 | T452-S456 WeakPolarHBondContact O-CB 3.24Å; T452-S456 PolarHBondContact O-N 3.4Å; T452-S456 VanDerWaalsContact O-N 3.07Å; T452-S456 PolarHBondContact O-OG 3.19Å; F453-S456 PolarHBondContact O-N 3.4Å; S456-F458 VanDerWaalsContact C-N 3.34Å; S456-F458 PolarHBondContact O-N 3Å; S456-V459 PolarHBondContact O-N 3.48Å; S456-D460 WeakPolarHBondContact O-CB 3.38Å; S456-D460 PolarHBondContact O-N 3.33Å |
| 457 | F | 89 | Confident | 88.2 | Confident | 40 Ų | 40 | 44 Ų | 44 | 18% | 0.175 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.6 | -40.4 | 176.8 | -78.1 | -68 | 0 | 0 | 0 | 111.9 | N87 W287 F453 Q461 | N87-F457 HydrophobicContact CB-CD1 4.03Å; N87-F457 HydrophobicContact CB-CE1 4.23Å; W287-F457 HydrophobicContact CH2-CD2 4.36Å; W287-F457 HydrophobicContact CZ2-CD2 4.36Å; F453-F457 WeakPolarHBondContact O-CD2 3.17Å; F453-F457 PolarHBondContact O-N 3.4Å; F457-Q461 WeakPolarHBondContact O-CG 3.22Å; F457-Q461 PolarHBondContact O-N 3.12Å; F457-Q461 VanDerWaalsContact O-N 3.14Å |
| 458 | F | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -49.4 | 177.3 | -179.2 | -110.3 | 0 | 0 | 0 | 111.9 | F17 V454 L455 S456 D460 Q461 V462 V609 Y613 T614 V617 A664 L668 | F17-F458 HydrophobicContact CE2-CE1 4.47Å; V454-F458 WeakPolarHBondContact O-CB 3.44Å; V454-F458 PolarHBondContact O-N 2.83Å; L455-F458 PolarHBondContact O-N 3.36Å; S456-F458 VanDerWaalsContact C-N 3.34Å; S456-F458 PolarHBondContact O-N 3Å; F458-D460 VanDerWaalsContact C-N 3.33Å; F458-D460 PolarHBondContact O-N 3.5Å; F458-Q461 PolarHBondContact O-N 3.21Å; F458-V462 HydrophobicContact CD1-CG2 4.39Å; F458-V462 HydrophobicContact CD2-CG2 4.3Å; F458-V462 HydrophobicContact CE1-CG2 4.08Å; F458-V462 HydrophobicContact CE2-CG2 3.97Å; F458-V462 HydrophobicContact CZ-CG2 3.85Å; F458-V462 WeakPolarHBondContact O-CG2 3.2Å; F458-V462 PolarHBondContact O-N 2.87Å; F458-V609 HydrophobicContact CE2-CG1 4.14Å; F458-Y613 HydrophobicContact CB-CE2 4.26Å; F458-Y613 HydrophobicContact CD2-CD1 4.21Å; F458-Y613 HydrophobicContact CD2-CD2 4.01Å; F458-Y613 HydrophobicContact CD2-CE1 4.19Å; F458-Y613 AromaticContact CD2-CE2 3.97Å; F458-Y613 HydrophobicContact CD2-CE2 3.97Å; F458-Y613 HydrophobicContact CD2-CG 4.12Å; F458-Y613 HydrophobicContact CE2-CG 4.4Å; F458-T614 HydrophobicContact CZ-CG2 4.29Å; F458-V617 HydrophobicContact CB-CB 4.48Å; F458-V617 HydrophobicContact CB-CG1 4.13Å; F458-V617 HydrophobicContact CB-CG2 3.63Å; F458-V617 HydrophobicContact CD1-CB 4.3Å; F458-V617 HydrophobicContact CD1-CG1 3.84Å; F458-V617 HydrophobicContact CD1-CG2 4.21Å; F458-V617 HydrophobicContact CD2-CG2 3.83Å; F458-V617 HydrophobicContact CE1-CG1 4.47Å; F458-V617 HydrophobicContact CG-CB 4.23Å; F458-V617 HydrophobicContact CG-CG1 4.07Å; F458-V617 HydrophobicContact CG-CG2 3.63Å; F458-A664 HydrophobicContact CD1-CB 3.76Å; F458-A664 HydrophobicContact CE1-CB 3.56Å; F458-L668 HydrophobicContact CZ-CD1 4.29Å |
| 459 | V | 94.2 | Very high | 89.8 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 13% | 0.133 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.3 | -44.7 | 178.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L455 S456 Q461 V462 A463 L660 A664 | L455-V459 HydrophobicContact CD1-CG2 4.1Å; L455-V459 HydrophobicContact CG-CG2 4.3Å; L455-V459 WeakPolarHBondContact O-CB 3.18Å; L455-V459 WeakPolarHBondContact O-CG2 3.35Å; L455-V459 PolarHBondContact O-N 2.95Å; S456-V459 PolarHBondContact O-N 3.48Å; V459-Q461 PolarHBondContact O-N 2.71Å; V459-V462 PolarHBondContact O-N 3.46Å; V459-A463 VanDerWaalsContact O-CB 3.27Å; V459-A463 WeakPolarHBondContact O-CB 3.24Å; V459-A463 PolarHBondContact O-N 3.35Å; V459-L660 HydrophobicContact CG2-CB 4.32Å; V459-L660 HydrophobicContact CG2-CD2 4.47Å; V459-A664 HydrophobicContact CG2-CB 3.96Å |
| 460 | D | 92.2 | Very high | 90.4 | Very high | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.7 | 174.8 | 63.8 | 0 | 0 | 0 | 112 | S456 F458 A463 K464 | S456-D460 WeakPolarHBondContact O-CB 3.38Å; S456-D460 PolarHBondContact O-N 3.33Å; F458-D460 VanDerWaalsContact C-N 3.33Å; F458-D460 PolarHBondContact O-N 3.5Å; D460-A463 PolarHBondContact O-N 2.89Å; D460-K464 WeakPolarHBondContact O-CG 3.37Å; D460-K464 PolarHBondContact O-N 2.87Å; D460-K464 WeakPolarHBondContact OD1-CE 3.3Å; D460-K464 IonicContact OD1-NZ 3.06Å; D460-K464 PolarHBondContact OD1-NZ 3.37Å; D460-K464 WeakPolarHBondContact OD2-CE 3.46Å; D460-K464 IonicContact OD2-NZ 2.67Å; D460-K464 PolarHBondContact OD2-NZ 3.48Å |
| 461 | Q | 91.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.065 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.8 | -39.7 | 179.3 | -71.7 | -61.4 | -16.5 | 0 | 0 | 112.9 | N87 Y90 F457 F458 V459 R465 | N87-Q461 PolarHBondContact OD1-NE2 3.38Å; Y90-Q461 HydrophobicContact CD1-CB 4.21Å; Y90-Q461 VanDerWaalsContact CD1-CD 3.41Å; Y90-Q461 HydrophobicContact CD1-CG 3.83Å; Y90-Q461 HydrophobicContact CE1-CB 3.89Å; Y90-Q461 HydrophobicContact CE1-CG 4.01Å; F457-Q461 WeakPolarHBondContact O-CG 3.22Å; F457-Q461 PolarHBondContact O-N 3.12Å; F457-Q461 VanDerWaalsContact O-N 3.14Å; F458-Q461 PolarHBondContact O-N 3.21Å; V459-Q461 PolarHBondContact O-N 2.71Å; Q461-R465 WeakPolarHBondContact O-CB 3.49Å; Q461-R465 PolarHBondContact O-N 2.95Å; Q461-R465 VanDerWaalsContact O-N 3.12Å |
| 462 | V | 93.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | 175.3 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | F458 V459 K464 R465 W466 A664 L667 L668 | F458-V462 HydrophobicContact CD1-CG2 4.39Å; F458-V462 HydrophobicContact CD2-CG2 4.3Å; F458-V462 HydrophobicContact CE1-CG2 4.08Å; F458-V462 HydrophobicContact CE2-CG2 3.97Å; F458-V462 HydrophobicContact CZ-CG2 3.85Å; F458-V462 WeakPolarHBondContact O-CG2 3.2Å; F458-V462 PolarHBondContact O-N 2.87Å; V459-V462 PolarHBondContact O-N 3.46Å; V462-K464 PolarHBondContact O-N 2.88Å; V462-R465 WeakPolarHBondContact O-CB 3.29Å; V462-R465 PolarHBondContact O-N 2.81Å; V462-R465 VanDerWaalsContact O-N 3.15Å; V462-W466 WeakPolarHBondContact O-CB 3.38Å; V462-W466 PolarHBondContact O-N 2.73Å; V462-A664 WeakPolarHBondContact CG1-O 3.41Å; V462-L667 HydrophobicContact CG1-CB 3.63Å; V462-L668 HydrophobicContact CG1-CB 4.18Å |
| 463 | A | 93.6 | Very high | 91.8 | Very high | 35 Ų | 35 | 41.7 Ų | 41.7 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V459 D460 R465 W466 W467 L667 | V459-A463 VanDerWaalsContact O-CB 3.27Å; V459-A463 WeakPolarHBondContact O-CB 3.24Å; V459-A463 PolarHBondContact O-N 3.35Å; D460-A463 PolarHBondContact O-N 2.89Å; A463-R465 VanDerWaalsContact C-N 3.3Å; A463-R465 PolarHBondContact O-N 3.3Å; A463-W466 WeakPolarHBondContact O-CB 3.43Å; A463-W466 PolarHBondContact O-N 3.25Å; A463-W467 PolarHBondContact O-N 3.41Å; A463-L667 HydrophobicContact CB-CD1 4.13Å |
| 464 | K | 94 | Very high | 92 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.5 | -40.4 | 173.6 | -75.7 | 169.7 | 178.8 | 163.6 | 0 | 111.9 | D460 V462 K468 | D460-K464 WeakPolarHBondContact O-CG 3.37Å; D460-K464 PolarHBondContact O-N 2.87Å; D460-K464 WeakPolarHBondContact OD1-CE 3.3Å; D460-K464 IonicContact OD1-NZ 3.06Å; D460-K464 PolarHBondContact OD1-NZ 3.37Å; D460-K464 WeakPolarHBondContact OD2-CE 3.46Å; D460-K464 IonicContact OD2-NZ 2.67Å; D460-K464 PolarHBondContact OD2-NZ 3.48Å; V462-K464 PolarHBondContact O-N 2.88Å; K464-K468 WeakPolarHBondContact O-CB 3.13Å; K464-K468 PolarHBondContact O-N 3.26Å; K464-K468 VanDerWaalsContact O-N 3.16Å |
| 465 | R | 92.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 43.4 Ų | 43.4 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 175.4 | -173.7 | -176 | 179.7 | 93.7 | 3.6 | 111.1 | Q461 V462 A463 W467 K468 I469 L604 V607 | Q461-R465 WeakPolarHBondContact O-CB 3.49Å; Q461-R465 PolarHBondContact O-N 2.95Å; Q461-R465 VanDerWaalsContact O-N 3.12Å; V462-R465 WeakPolarHBondContact O-CB 3.29Å; V462-R465 PolarHBondContact O-N 2.81Å; V462-R465 VanDerWaalsContact O-N 3.15Å; A463-R465 VanDerWaalsContact C-N 3.3Å; A463-R465 PolarHBondContact O-N 3.3Å; R465-W467 PolarHBondContact O-N 2.66Å; R465-K468 WeakPolarHBondContact O-CB 3.42Å; R465-K468 PolarHBondContact O-N 3.33Å; R465-K468 VanDerWaalsContact O-N 3.16Å; R465-I469 HydrophobicContact CG-CD1 4.18Å; R465-I469 WeakPolarHBondContact O-CG1 3.36Å; R465-I469 PolarHBondContact O-N 3.1Å; R465-L604 PolarHBondContact NH2-O 3.41Å; R465-V607 PolarHBondContact NH1-O 3.16Å; R465-V607 PolarHBondContact NH2-O 2.61Å |
| 466 | W | 93.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 21% | 0.208 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 177.3 | -178.7 | 93.7 | 0 | 0 | 0 | 112 | V462 A463 K468 I469 F470 L667 F678 | V462-W466 WeakPolarHBondContact O-CB 3.38Å; V462-W466 PolarHBondContact O-N 2.73Å; A463-W466 WeakPolarHBondContact O-CB 3.43Å; A463-W466 PolarHBondContact O-N 3.25Å; W466-K468 VanDerWaalsContact C-N 3.3Å; W466-K468 PolarHBondContact O-N 2.91Å; W466-I469 WeakPolarHBondContact O-CB 3.46Å; W466-I469 PolarHBondContact O-N 3.02Å; W466-I469 VanDerWaalsContact O-N 3.11Å; W466-F470 PolarHBondContact O-N 3.36Å; W466-L667 HydrophobicContact CB-CB 4.23Å; W466-L667 HydrophobicContact CB-CD2 4.38Å; W466-L667 HydrophobicContact CD2-CD2 3.85Å; W466-L667 HydrophobicContact CG-CB 4.25Å; W466-L667 HydrophobicContact CG-CD2 3.7Å; W466-F678 HydrophobicContact CD2-CE1 4.37Å; W466-F678 HydrophobicContact CD2-CZ 4.11Å; W466-F678 AromaticContact CE2-CE1 3.55Å; W466-F678 AromaticContact CE2-CZ 3.63Å; W466-F678 HydrophobicContact CG-CZ 4.47Å; W466-F678 AromaticContact CH2-CE1 3.95Å; W466-F678 HydrophobicContact CH2-CE1 3.95Å; W466-F678 HydrophobicContact CZ2-CD1 4.26Å; W466-F678 AromaticContact CZ2-CE1 3.31Å; W466-F678 HydrophobicContact CZ2-CE1 3.31Å; W466-F678 AromaticContact CZ2-CZ 3.89Å; W466-F678 HydrophobicContact CZ2-CZ 3.89Å; W466-F678 AromaticContact NE1-CE1 3.89Å; W466-F678 AromaticContact NE1-CZ 3.75Å |
| 467 | W | 92.9 | Very high | 92.7 | Very high | 142 Ų | 142 | 42.4 Ų | 42.4 | 54% | 0.538 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.9 | -39.3 | 178 | -167.5 | -116 | 0 | 0 | 0 | 112.4 | A463 R465 I469 F470 L471 | A463-W467 PolarHBondContact O-N 3.41Å; R465-W467 PolarHBondContact O-N 2.66Å; W467-I469 VanDerWaalsContact C-N 3.33Å; W467-I469 PolarHBondContact O-N 3.26Å; W467-F470 HydrophobicContact CE3-CD1 4.41Å; W467-F470 HydrophobicContact CH2-CD1 4.46Å; W467-F470 HydrophobicContact CZ3-CD1 4.19Å; W467-F470 WeakPolarHBondContact O-CB 3.34Å; W467-F470 PolarHBondContact O-N 3.28Å; W467-L471 WeakPolarHBondContact O-CG 3.24Å; W467-L471 PolarHBondContact O-N 3.32Å |
| 468 | K | 91.9 | Very high | 92.9 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 19% | 0.191 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 175.3 | -174.7 | -170.9 | 179.7 | -155.3 | 0 | 111.9 | K464 R465 W466 T472 K600 | K464-K468 WeakPolarHBondContact O-CB 3.13Å; K464-K468 PolarHBondContact O-N 3.26Å; K464-K468 VanDerWaalsContact O-N 3.16Å; R465-K468 WeakPolarHBondContact O-CB 3.42Å; R465-K468 PolarHBondContact O-N 3.33Å; R465-K468 VanDerWaalsContact O-N 3.16Å; W466-K468 VanDerWaalsContact C-N 3.3Å; W466-K468 PolarHBondContact O-N 2.91Å; K468-T472 WeakPolarHBondContact O-CB 3.4Å; K468-T472 PolarHBondContact O-N 2.87Å; K468-T472 PolarHBondContact O-OG1 2.94Å; K468-K600 VanDerWaalsContact CE-CE 3.45Å |
| 469 | I | 93.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.5 | -49 | 175.8 | -65.8 | 167.2 | 0 | 0 | 0 | 109.3 | R465 W466 W467 L471 T472 I473 L601 L604 P670 F671 F678 | R465-I469 HydrophobicContact CG-CD1 4.18Å; R465-I469 WeakPolarHBondContact O-CG1 3.36Å; R465-I469 PolarHBondContact O-N 3.1Å; W466-I469 WeakPolarHBondContact O-CB 3.46Å; W466-I469 PolarHBondContact O-N 3.02Å; W466-I469 VanDerWaalsContact O-N 3.11Å; W467-I469 VanDerWaalsContact C-N 3.33Å; W467-I469 PolarHBondContact O-N 3.26Å; I469-L471 PolarHBondContact O-N 2.98Å; I469-T472 WeakPolarHBondContact O-CB 3.34Å; I469-T472 PolarHBondContact O-N 3.42Å; I469-I473 PolarHBondContact O-N 3.26Å; I469-L601 HydrophobicContact CG2-CD1 3.99Å; I469-L604 HydrophobicContact CG1-CB 4.39Å; I469-L604 HydrophobicContact CG1-CD1 4.03Å; I469-P670 HydrophobicContact CB-CG 4.36Å; I469-P670 HydrophobicContact CD1-CG 3.92Å; I469-P670 HydrophobicContact CG2-CG 3.92Å; I469-F671 HydrophobicContact CG2-CE1 3.92Å; I469-F671 HydrophobicContact CG2-CE2 3.7Å; I469-F671 HydrophobicContact CG2-CZ 3.2Å; I469-F678 HydrophobicContact CB-CE2 4.32Å; I469-F678 HydrophobicContact CG2-CE2 3.8Å |
| 470 | F | 90.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 30% | 0.303 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -53.5 | -50.9 | 177.3 | -178.7 | -108.8 | 0 | 0 | 0 | 112.5 | W466 W467 T472 I473 F678 | W466-F470 PolarHBondContact O-N 3.36Å; W467-F470 HydrophobicContact CE3-CD1 4.41Å; W467-F470 HydrophobicContact CH2-CD1 4.46Å; W467-F470 HydrophobicContact CZ3-CD1 4.19Å; W467-F470 WeakPolarHBondContact O-CB 3.34Å; W467-F470 PolarHBondContact O-N 3.28Å; F470-T472 PolarHBondContact O-N 2.92Å; F470-T472 VanDerWaalsContact O-N 3.15Å; F470-I473 HydrophobicContact CD2-CD1 4.26Å; F470-I473 WeakPolarHBondContact O-CB 3.45Å; F470-I473 PolarHBondContact O-N 2.72Å; F470-I473 VanDerWaalsContact O-N 3.13Å; F470-F678 HydrophobicContact CB-CE1 3.89Å; F470-F678 HydrophobicContact CB-CE2 4.17Å; F470-F678 HydrophobicContact CB-CZ 3.5Å; F470-F678 VanDerWaalsContact CB-CZ 3.5Å; F470-F678 AromaticContact CD2-CD1 3.88Å; F470-F678 HydrophobicContact CD2-CD1 3.88Å; F470-F678 AromaticContact CD2-CE1 3.54Å; F470-F678 HydrophobicContact CD2-CE1 3.54Å; F470-F678 AromaticContact CD2-CZ 3.96Å; F470-F678 HydrophobicContact CD2-CZ 3.96Å; F470-F678 HydrophobicContact CE2-CE1 4.5Å; F470-F678 HydrophobicContact CG-CE1 4.1Å; F470-F678 HydrophobicContact CG-CZ 4.19Å |
| 471 | L | 92.3 | Very high | 93.3 | Very high | 109 Ų | 109 | 46.6 Ų | 46.6 | 57% | 0.571 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -67.6 | -12.4 | 179.7 | -66.9 | 177.4 | 0 | 0 | 0 | 114 | W467 I469 | W467-L471 WeakPolarHBondContact O-CG 3.24Å; W467-L471 PolarHBondContact O-N 3.32Å; I469-L471 PolarHBondContact O-N 2.98Å |
| 472 | T | 93.7 | Very high | 93.5 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -93.4 | -13.4 | 177.5 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | K468 I469 F470 S474 N597 K600 L601 | K468-T472 WeakPolarHBondContact O-CB 3.4Å; K468-T472 PolarHBondContact O-N 2.87Å; K468-T472 PolarHBondContact O-OG1 2.94Å; I469-T472 WeakPolarHBondContact O-CB 3.34Å; I469-T472 PolarHBondContact O-N 3.42Å; F470-T472 PolarHBondContact O-N 2.92Å; F470-T472 VanDerWaalsContact O-N 3.15Å; T472-S474 PolarHBondContact O-N 3.18Å; T472-N597 HydrophobicContact CG2-CB 4.39Å; T472-N597 WeakPolarHBondContact CG2-O 3.5Å; T472-K600 HydrophobicContact CG2-CB 3.88Å; T472-K600 HydrophobicContact CG2-CD 3.92Å; T472-K600 HydrophobicContact CG2-CG 3.97Å; T472-L601 HydrophobicContact CG2-CB 4.23Å; T472-L601 HydrophobicContact CG2-CD1 4.12Å |
| 473 | I | 93.4 | Very high | 93.7 | Very high | 5 Ų | 5 | 47.1 Ų | 47.1 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -58 | 131.2 | 174 | -64.2 | 173.8 | 0 | 0 | 0 | 109.4 | I469 F470 F678 L680 I683 | I469-I473 PolarHBondContact O-N 3.26Å; F470-I473 HydrophobicContact CD2-CD1 4.26Å; F470-I473 WeakPolarHBondContact O-CB 3.45Å; F470-I473 PolarHBondContact O-N 2.72Å; F470-I473 VanDerWaalsContact O-N 3.13Å; I473-F678 HydrophobicContact CD1-CB 4.29Å; I473-F678 HydrophobicContact CD1-CD2 3.63Å; I473-F678 HydrophobicContact CD1-CE2 4.13Å; I473-F678 HydrophobicContact CD1-CG 3.98Å; I473-L680 HydrophobicContact CD1-CD2 4.06Å; I473-I683 HydrophobicContact CG2-CD1 4.28Å; I473-I683 HydrophobicContact CG2-CG2 4.32Å |
| 474 | S | 89.4 | Confident | 93.7 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.028 | 21% | 0.207 | C | C | . | . | trans | -82.2 | 126.6 | -174.2 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | T472 I598 N687 | T472-S474 PolarHBondContact O-N 3.18Å; S474-I598 VanDerWaalsContact OG-CG2 3.24Å; S474-I598 WeakPolarHBondContact OG-CG2 3.14Å; S474-N687 PolarHBondContact O-ND2 3.43Å | ||
| 475 | W | 92.1 | Very high | 93.6 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 38% | 0.383 | 22% | 0.215 | S | C | . | . | trans | -113.4 | 108.6 | 176.1 | -63.3 | 93.4 | 0 | 0 | 0 | 108.9 | D477 I683 | W475-D477 VanDerWaalsContact C-N 3.26Å; W475-D477 PolarHBondContact O-N 3.28Å; W475-I683 HydrophobicContact CH2-CD1 3.97Å; W475-I683 HydrophobicContact CH2-CG1 3.84Å; W475-I683 HydrophobicContact CH2-CG2 4.24Å; W475-I683 HydrophobicContact CZ2-CD1 4.01Å; W475-I683 HydrophobicContact CZ2-CG1 4.38Å; W475-I683 HydrophobicContact CZ3-CG1 4.45Å; W475-I683 HydrophobicContact CZ3-CG2 4.23Å | ||
| 476 | P | 95 | Very high | 93.8 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | trans | -83.3 | 5.8 | -170.7 | 34.2 | -36.2 | 0 | 0 | 0 | 114 | R478 A479 A480 I505 N687 C691 | P476-R478 PolarHBondContact O-N 3.35Å; P476-A479 CarbonylContact O-C 3.31Å; P476-A479 WeakPolarHBondContact O-CA 3.38Å; P476-A479 WeakPolarHBondContact O-CB 3.39Å; P476-A479 PolarHBondContact O-N 2.83Å; P476-A479 VanDerWaalsContact O-N 3.13Å; P476-A480 WeakPolarHBondContact O-CB 3.1Å; P476-A480 PolarHBondContact O-N 3.48Å; P476-I505 HydrophobicContact CB-CG2 3.88Å; P476-N687 WeakPolarHBondContact CD-ND2 3.28Å; P476-N687 HydrophobicContact CG-CB 3.7Å; P476-C691 VanDerWaalsContact CG-SG 3.51Å | ||
| 477 | D | 93.3 | Very high | 93.9 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 23% | 0.225 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -51.9 | -54 | -177.8 | -60.4 | -117.6 | 0 | 0 | 0 | 112.9 | W475 A479 A480 S481 R686 L690 | W475-D477 VanDerWaalsContact C-N 3.26Å; W475-D477 PolarHBondContact O-N 3.28Å; D477-A479 PolarHBondContact O-N 2.92Å; D477-A480 PolarHBondContact O-N 3.2Å; D477-A480 VanDerWaalsContact O-N 3.11Å; D477-S481 PolarHBondContact O-N 2.92Å; D477-S481 PolarHBondContact O-OG 3.47Å; D477-R686 IonicContact OD1-CZ 2.72Å; D477-R686 IonicContact OD1-NH1 2.83Å; D477-R686 PolarHBondContact OD1-NH1 3.12Å; D477-R686 IonicContact OD1-NH2 3.69Å; D477-R686 PolarHBondContact OD1-NH2 3.45Å; D477-R686 IonicContact OD2-CZ 3.27Å; D477-R686 IonicContact OD2-NH1 2.66Å; D477-R686 PolarHBondContact OD2-NH1 3.36Å; D477-R686 IonicContact OD2-NH2 3.63Å; D477-L690 HydrophobicContact CB-CD2 4.16Å; D477-L690 WeakPolarHBondContact OD1-CD1 3.44Å; D477-L690 WeakPolarHBondContact OD1-CD2 3.39Å |
| 478 | R | 94.9 | Very high | 93.7 | Very high | 145 Ų | 145 | 43.5 Ų | 43.5 | 55% | 0.547 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63 | -38.1 | -178.3 | -172.2 | 165.8 | 61.6 | 88 | 9 | 110.3 | P476 I482 E590 | P476-R478 PolarHBondContact O-N 3.35Å; R478-I482 HydrophobicContact CG-CD1 3.97Å; R478-I482 WeakPolarHBondContact O-CB 3.22Å; R478-I482 WeakPolarHBondContact O-CD1 3.42Å; R478-I482 WeakPolarHBondContact O-CG1 3.46Å; R478-I482 PolarHBondContact O-N 3.29Å; R478-E590 IonicContact CZ-OE1 3Å; R478-E590 IonicContact CZ-OE2 2.89Å; R478-E590 IonicContact NE-OE1 3.34Å; R478-E590 PolarHBondContact NE-OE1 3.08Å; R478-E590 IonicContact NE-OE2 3.22Å; R478-E590 IonicContact NH1-OE1 2.66Å; R478-E590 IonicContact NH1-OE2 2.7Å; R478-E590 PolarHBondContact NH1-OE2 2.72Å; R478-E590 IonicContact NH2-OE1 3.58Å; R478-E590 PolarHBondContact NH2-OE1 3.34Å; R478-E590 IonicContact NH2-OE2 3.97Å; R478-E590 PolarHBondContact NH2-OE2 3.46Å |
| 479 | A | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P476 D477 I482 V483 I505 E590 I594 | P476-A479 CarbonylContact O-C 3.31Å; P476-A479 WeakPolarHBondContact O-CA 3.38Å; P476-A479 WeakPolarHBondContact O-CB 3.39Å; P476-A479 PolarHBondContact O-N 2.83Å; P476-A479 VanDerWaalsContact O-N 3.13Å; D477-A479 PolarHBondContact O-N 2.92Å; A479-I482 PolarHBondContact O-N 3.34Å; A479-V483 VanDerWaalsContact O-CB 3.29Å; A479-V483 WeakPolarHBondContact O-CB 3.5Å; A479-V483 WeakPolarHBondContact O-CG2 3.33Å; A479-V483 PolarHBondContact O-N 2.69Å; A479-I505 HydrophobicContact CB-CD1 3.88Å; A479-E590 VanDerWaalsContact CA-CG 3.49Å; A479-E590 HydrophobicContact CB-CG 3.47Å; A479-E590 VanDerWaalsContact CB-CG 3.47Å; A479-I594 HydrophobicContact CB-CD1 3.76Å |
| 480 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | P476 D477 V483 S484 V502 C691 V694 V695 | P476-A480 WeakPolarHBondContact O-CB 3.1Å; P476-A480 PolarHBondContact O-N 3.48Å; D477-A480 PolarHBondContact O-N 3.2Å; D477-A480 VanDerWaalsContact O-N 3.11Å; A480-V483 PolarHBondContact O-N 3.45Å; A480-S484 VanDerWaalsContact O-CB 3.26Å; A480-S484 WeakPolarHBondContact O-CB 3.41Å; A480-S484 PolarHBondContact O-N 3.15Å; A480-V502 HydrophobicContact CB-CG1 3.99Å; A480-C691 HydrophobicContact CB-CB 4.31Å; A480-V694 HydrophobicContact CB-CB 4.17Å; A480-V694 HydrophobicContact CB-CG1 4.02Å; A480-V695 HydrophobicContact CB-CG1 4.28Å |
| 481 | S | 94.2 | Very high | 93.2 | Very high | 66 Ų | 66 | 48.6 Ų | 48.6 | 46% | 0.462 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.7 | -45 | 175.5 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | D477 S484 L485 | D477-S481 PolarHBondContact O-N 2.92Å; D477-S481 PolarHBondContact O-OG 3.47Å; S481-S484 PolarHBondContact O-N 3.28Å; S481-L485 VanDerWaalsContact O-CB 3.28Å; S481-L485 WeakPolarHBondContact O-CB 3.23Å; S481-L485 PolarHBondContact O-N 3.35Å |
| 482 | I | 96.7 | Very high | 93.1 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 12% | 0.123 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 177.9 | -73.3 | 169.3 | 0 | 0 | 0 | 111.2 | R478 A479 L485 Y486 T586 V587 E590 | R478-I482 HydrophobicContact CG-CD1 3.97Å; R478-I482 WeakPolarHBondContact O-CB 3.22Å; R478-I482 WeakPolarHBondContact O-CD1 3.42Å; R478-I482 WeakPolarHBondContact O-CG1 3.46Å; R478-I482 PolarHBondContact O-N 3.29Å; A479-I482 PolarHBondContact O-N 3.34Å; I482-L485 PolarHBondContact O-N 3.17Å; I482-Y486 HydrophobicContact CG2-CD2 3.65Å; I482-Y486 HydrophobicContact CG2-CE2 3.96Å; I482-Y486 WeakPolarHBondContact O-CB 3.44Å; I482-Y486 PolarHBondContact O-N 2.84Å; I482-T586 HydrophobicContact CD1-CG2 4.15Å; I482-T586 HydrophobicContact CG2-CG2 4.26Å; I482-V587 HydrophobicContact CG2-CB 4.38Å; I482-V587 HydrophobicContact CG2-CG2 3.85Å; I482-E590 HydrophobicContact CD1-CB 4.49Å; I482-E590 HydrophobicContact CD1-CG 4.31Å |
| 483 | V | 97.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.012 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 175.8 | 165.9 | 0 | 0 | 0 | 0 | 110.8 | A479 A480 L485 I487 R498 L501 V502 V587 V695 | A479-V483 VanDerWaalsContact O-CB 3.29Å; A479-V483 WeakPolarHBondContact O-CB 3.5Å; A479-V483 WeakPolarHBondContact O-CG2 3.33Å; A479-V483 PolarHBondContact O-N 2.69Å; A480-V483 PolarHBondContact O-N 3.45Å; V483-L485 VanDerWaalsContact C-N 3.31Å; V483-L485 PolarHBondContact O-N 3.13Å; V483-I487 HydrophobicContact CG1-CG1 4.03Å; V483-I487 VanDerWaalsContact O-CB 3.29Å; V483-I487 WeakPolarHBondContact O-CB 2.98Å; V483-I487 WeakPolarHBondContact O-CG1 3.26Å; V483-I487 PolarHBondContact O-N 3.12Å; V483-R498 HydrophobicContact CG1-CB 3.91Å; V483-R498 HydrophobicContact CG1-CG 3.9Å; V483-L501 HydrophobicContact CG1-CB 4.22Å; V483-L501 HydrophobicContact CG1-CD1 3.96Å; V483-L501 HydrophobicContact CG2-CB 4.34Å; V483-L501 HydrophobicContact CG2-CD1 4.16Å; V483-V502 HydrophobicContact CG1-CG1 4.47Å; V483-V587 HydrophobicContact CG2-CG1 4.11Å; V483-V695 HydrophobicContact CB-CG1 4.5Å; V483-V695 HydrophobicContact CG1-CG1 4.11Å |
| 484 | S | 94.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 50.4 Ų | 50.4 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 176 | -167.4 | 0 | 0 | 0 | 0 | 111.9 | A480 S481 V694 H699 | A480-S484 VanDerWaalsContact O-CB 3.26Å; A480-S484 WeakPolarHBondContact O-CB 3.41Å; A480-S484 PolarHBondContact O-N 3.15Å; S481-S484 PolarHBondContact O-N 3.28Å; S484-V694 WeakPolarHBondContact CB-O 3.23Å; S484-V694 PolarHBondContact OG-O 2.85Å; S484-H699 PolarHBondContact O-CE1 2.78Å; S484-H699 PolarHBondContact O-ND1 3.14Å; S484-H699 PolarHBondContact OG-ND1 3.2Å; S484-H699 VanDerWaalsContact OG-ND1 3.14Å |
| 485 | L | 92.3 | Very high | 93.3 | Very high | 122 Ų | 122 | 53 Ų | 53 | 64% | 0.639 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -75 | -42.8 | -179 | -176.2 | 62.6 | 0 | 0 | 0 | 113.2 | S481 I482 V483 | S481-L485 VanDerWaalsContact O-CB 3.28Å; S481-L485 WeakPolarHBondContact O-CB 3.23Å; S481-L485 PolarHBondContact O-N 3.35Å; I482-L485 PolarHBondContact O-N 3.17Å; V483-L485 VanDerWaalsContact C-N 3.31Å; V483-L485 PolarHBondContact O-N 3.13Å |
| 486 | Y | 95.7 | Very high | 93.4 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -102 | -15.2 | -167.8 | -64 | -24.7 | 0 | 0 | 0 | 115.4 | I482 Q583 T586 V587 | I482-Y486 HydrophobicContact CG2-CD2 3.65Å; I482-Y486 HydrophobicContact CG2-CE2 3.96Å; I482-Y486 WeakPolarHBondContact O-CB 3.44Å; I482-Y486 PolarHBondContact O-N 2.84Å; Y486-Q583 HydrophobicContact CD1-CB 4.2Å; Y486-Q583 HydrophobicContact CD1-CG 3.64Å; Y486-Q583 HydrophobicContact CD2-CB 4.03Å; Y486-Q583 HydrophobicContact CD2-CG 4.24Å; Y486-Q583 HydrophobicContact CE1-CG 3.87Å; Y486-Q583 HydrophobicContact CE2-CG 4.45Å; Y486-Q583 HydrophobicContact CG-CB 3.87Å; Y486-Q583 HydrophobicContact CG-CG 3.86Å; Y486-T586 HydrophobicContact CE2-CG2 3.76Å; Y486-V587 HydrophobicContact CD2-CG2 3.98Å |
| 487 | I | 95.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -94.5 | 102.4 | 172.5 | -52.8 | -55.4 | 0 | 0 | 0 | 109.2 | V483 I497 R498 L501 A572 I578 | V483-I487 HydrophobicContact CG1-CG1 4.03Å; V483-I487 VanDerWaalsContact O-CB 3.29Å; V483-I487 WeakPolarHBondContact O-CB 2.98Å; V483-I487 WeakPolarHBondContact O-CG1 3.26Å; V483-I487 PolarHBondContact O-N 3.12Å; I487-I497 HydrophobicContact CG2-CB 4.16Å; I487-I497 HydrophobicContact CG2-CG2 3.69Å; I487-R498 HydrophobicContact CB-CG 3.65Å; I487-R498 HydrophobicContact CG1-CG 4.37Å; I487-R498 HydrophobicContact CG2-CG 3.7Å; I487-R498 PolarHBondContact O-NH1 2.87Å; I487-L501 HydrophobicContact CD1-CD1 4.21Å; I487-L501 HydrophobicContact CG1-CD1 3.95Å; I487-A572 HydrophobicContact CD1-CB 4.39Å; I487-I578 HydrophobicContact CD1-CD1 3.51Å; I487-I578 HydrophobicContact CD1-CG1 3.61Å |
| 488 | K | 90.2 | Very high | 93.7 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | trans | -73.6 | 156 | -178.6 | -69.4 | -170.7 | 164.8 | -166.3 | 0 | 113.8 | R577 E579 | K488-R577 WeakPolarHBondContact CB-O 3.4Å; K488-R577 PolarHBondContact N-O 3.3Å; K488-R577 PolarHBondContact O-NH1 2.81Å; K488-E579 HydrophobicContact CD-CG 3.97Å; K488-E579 VanDerWaalsContact CE-CG 3.45Å; K488-E579 WeakPolarHBondContact CE-OE1 3.43Å; K488-E579 IonicContact NZ-OE1 2.52Å; K488-E579 PolarHBondContact NZ-OE1 2.74Å; K488-E579 IonicContact NZ-OE2 3.91Å | ||
| 489 | G | 86.4 | Confident | 93.7 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 20% | 0.196 | 21% | 0.21 | C | C | . | . | trans | 122.4 | 115.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | D491 R498 | G489-D491 WeakPolarHBondContact CA-OD1 3.3Å; G489-R498 PolarHBondContact O-NH1 3.01Å; G489-R498 PolarHBondContact O-NH2 3.05Å | ||
| 490 | T | 86.6 | Confident | 93.8 | Very high | 139 Ų | 139 | 40.3 Ų | 40.3 | 85% | 0.853 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -82.9 | -6.2 | 166.8 | 51.6 | 0 | 0 | 0 | 0 | 111.7 | ||
| 491 | D | 91.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -73.6 | 165.3 | 175 | 66.4 | -38.7 | 0 | 0 | 0 | 112.4 | G489 R493 G494 R495 R577 | G489-D491 WeakPolarHBondContact CA-OD1 3.3Å; D491-R493 PolarHBondContact O-N 3.17Å; D491-R493 WeakPolarHBondContact OD2-CB 3.3Å; D491-G494 PolarHBondContact O-N 2.91Å; D491-G494 VanDerWaalsContact O-N 3.16Å; D491-G494 PolarHBondContact OD1-N 2.86Å; D491-R495 PolarHBondContact O-N 3.19Å; D491-R495 VanDerWaalsContact O-N 3.07Å; D491-R577 IonicContact OD1-CZ 2.79Å; D491-R577 IonicContact OD1-NH1 2.86Å; D491-R577 PolarHBondContact OD1-NH1 3.39Å; D491-R577 IonicContact OD1-NH2 3.9Å; D491-R577 IonicContact OD2-CZ 3.31Å; D491-R577 IonicContact OD2-NH1 3.74Å; D491-R577 PolarHBondContact OD2-NH1 3.14Å; D491-R577 IonicContact OD2-NH2 3Å; D491-R577 PolarHBondContact OD2-NH2 3.2Å |
| 492 | E | 90.5 | Very high | 94 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -57.4 | -37.9 | -178.1 | -163.6 | -179.5 | 158.5 | 0 | 0 | 112.1 | R334 W338 R495 M496 | R334-E492 IonicContact CZ-OE1 3.64Å; R334-E492 IonicContact CZ-OE2 3.73Å; R334-E492 IonicContact NE-OE1 3.75Å; R334-E492 PolarHBondContact NE-OE1 2.97Å; R334-E492 IonicContact NH2-OE1 2.7Å; R334-E492 PolarHBondContact NH2-OE1 3.48Å; R334-E492 IonicContact NH2-OE2 2.82Å; R334-E492 PolarHBondContact NH2-OE2 2.96Å; W338-E492 HydrophobicContact CH2-CG 4.49Å; W338-E492 HydrophobicContact CZ2-CG 3.72Å; E492-R495 PolarHBondContact O-N 3.41Å; E492-M496 VanDerWaalsContact O-CB 3.28Å; E492-M496 WeakPolarHBondContact O-CB 3.47Å; E492-M496 PolarHBondContact O-N 3.41Å |
| 493 | R | 93.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 36.2 Ų | 36.2 | 25% | 0.253 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.9 | -43.5 | 179.1 | 175.8 | 59.7 | 171.3 | -160 | -3 | 112.1 | L332 D491 M496 I497 E575 | L332-R493 VanDerWaalsContact CD1-CZ 3.47Å; D491-R493 PolarHBondContact O-N 3.17Å; D491-R493 WeakPolarHBondContact OD2-CB 3.3Å; R493-M496 PolarHBondContact O-N 2.67Å; R493-I497 HydrophobicContact CG-CD1 4.23Å; R493-I497 WeakPolarHBondContact O-CG1 3.35Å; R493-I497 PolarHBondContact O-N 3.24Å; R493-E575 IonicContact CZ-OE1 2.82Å; R493-E575 IonicContact CZ-OE2 3.49Å; R493-E575 IonicContact NE-OE1 2.75Å; R493-E575 IonicContact NE-OE2 3.16Å; R493-E575 PolarHBondContact NE-OE2 3.01Å; R493-E575 VanDerWaalsContact NE-OE2 3.09Å; R493-E575 IonicContact NH2-OE1 3.51Å; R493-E575 PolarHBondContact NH2-OE1 3.39Å; R493-E575 IonicContact NH2-OE2 3.68Å |
| 494 | G | 93.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D491 M496 I497 R498 | D491-G494 PolarHBondContact O-N 2.91Å; D491-G494 VanDerWaalsContact O-N 3.16Å; D491-G494 PolarHBondContact OD1-N 2.86Å; G494-M496 VanDerWaalsContact C-N 3.33Å; G494-M496 PolarHBondContact O-N 2.77Å; G494-I497 PolarHBondContact O-N 3.18Å; G494-R498 WeakPolarHBondContact O-CG 3.2Å; G494-R498 PolarHBondContact O-N 3.49Å; G494-R498 VanDerWaalsContact O-N 3.13Å; G494-R498 PolarHBondContact O-NH1 3.38Å |
| 495 | R | 93.7 | Very high | 94.3 | Very high | 57 Ų | 57 | 35.6 Ų | 35.6 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 174.2 | -174.1 | -177.8 | -174.6 | -139.4 | -1.8 | 111.9 | W338 D491 E492 R498 R499 D696 | W338-R495 HydrophobicContact CH2-CB 4.25Å; W338-R495 HydrophobicContact CH2-CG 3.94Å; W338-R495 HydrophobicContact CZ2-CG 4.2Å; W338-R495 PolarHBondContact O-NH1 3.2Å; W338-R495 PolarHBondContact O-NH2 3.41Å; D491-R495 PolarHBondContact O-N 3.19Å; D491-R495 VanDerWaalsContact O-N 3.07Å; E492-R495 PolarHBondContact O-N 3.41Å; R495-R498 PolarHBondContact O-N 2.72Å; R495-R499 HydrophobicContact CG-CG 4.43Å; R495-R499 WeakPolarHBondContact O-CB 3.32Å; R495-R499 WeakPolarHBondContact O-CG 3.47Å; R495-R499 PolarHBondContact O-N 2.72Å; R495-D696 WeakPolarHBondContact CD-OD1 3.47Å; R495-D696 IonicContact CZ-OD1 3.97Å; R495-D696 IonicContact CZ-OD2 2.71Å; R495-D696 VanDerWaalsContact CZ-OD2 3.23Å; R495-D696 IonicContact NE-OD1 2.68Å; R495-D696 PolarHBondContact NE-OD1 3.22Å; R495-D696 IonicContact NE-OD2 3.53Å; R495-D696 PolarHBondContact NE-OD2 3.49Å; R495-D696 IonicContact NH2-OD1 3.49Å; R495-D696 IonicContact NH2-OD2 2.91Å; R495-D696 PolarHBondContact NH2-OD2 3.02Å |
| 496 | M | 94.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 30.2 Ų | 30.2 | 10% | 0.099 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.4 | -44.2 | -178.6 | -171.8 | 178.8 | -69.2 | 0 | 0 | 112.4 | L332 R334 W338 E492 R493 G494 T500 | L332-M496 HydrophobicContact CB-CG 4.37Å; L332-M496 HydrophobicContact CB-SD 3.71Å; R334-M496 HydrophobicContact CG-CE 4.37Å; W338-M496 HydrophobicContact CH2-CB 3.78Å; W338-M496 HydrophobicContact CH2-CE 4.46Å; W338-M496 HydrophobicContact CH2-CG 4.35Å; W338-M496 HydrophobicContact CZ3-CB 4.28Å; W338-M496 HydrophobicContact CZ3-CG 4.46Å; E492-M496 VanDerWaalsContact O-CB 3.28Å; E492-M496 WeakPolarHBondContact O-CB 3.47Å; E492-M496 PolarHBondContact O-N 3.41Å; R493-M496 PolarHBondContact O-N 2.67Å; G494-M496 VanDerWaalsContact C-N 3.33Å; G494-M496 PolarHBondContact O-N 2.77Å; M496-T500 VanDerWaalsContact O-CB 3.24Å; M496-T500 WeakPolarHBondContact O-CB 3.35Å; M496-T500 PolarHBondContact O-N 3.22Å; M496-T500 PolarHBondContact O-OG1 2.93Å |
| 497 | I | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 177.2 | -67.2 | 167.8 | 0 | 0 | 0 | 109.7 | I487 R493 G494 R499 T500 L501 L568 A572 | I487-I497 HydrophobicContact CG2-CB 4.16Å; I487-I497 HydrophobicContact CG2-CG2 3.69Å; R493-I497 HydrophobicContact CG-CD1 4.23Å; R493-I497 WeakPolarHBondContact O-CG1 3.35Å; R493-I497 PolarHBondContact O-N 3.24Å; G494-I497 PolarHBondContact O-N 3.18Å; I497-R499 PolarHBondContact O-N 3.21Å; I497-T500 PolarHBondContact O-N 2.85Å; I497-L501 HydrophobicContact CG2-CD1 3.97Å; I497-L501 HydrophobicContact CG2-CG 4.41Å; I497-L501 VanDerWaalsContact O-CG 3.31Å; I497-L501 WeakPolarHBondContact O-CG 3.16Å; I497-L501 PolarHBondContact O-N 3.37Å; I497-L568 HydrophobicContact CG1-CD1 4.32Å; I497-L568 HydrophobicContact CG2-CD1 4.37Å; I497-L568 HydrophobicContact CG2-CD2 4.45Å; I497-L568 HydrophobicContact CG2-CG 4.2Å; I497-A572 HydrophobicContact CD1-CB 4.3Å; I497-A572 HydrophobicContact CG2-CB 4.07Å |
| 498 | R | 96.6 | Very high | 94.7 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.4 | -48.2 | -178.5 | -70 | -168 | -66.2 | -81.1 | -1.2 | 112.9 | V483 I487 G489 G494 R495 T500 L501 V502 V695 H699 | V483-R498 HydrophobicContact CG1-CB 3.91Å; V483-R498 HydrophobicContact CG1-CG 3.9Å; I487-R498 HydrophobicContact CB-CG 3.65Å; I487-R498 HydrophobicContact CG1-CG 4.37Å; I487-R498 HydrophobicContact CG2-CG 3.7Å; I487-R498 PolarHBondContact O-NH1 2.87Å; G489-R498 PolarHBondContact O-NH1 3.01Å; G489-R498 PolarHBondContact O-NH2 3.05Å; G494-R498 WeakPolarHBondContact O-CG 3.2Å; G494-R498 PolarHBondContact O-N 3.49Å; G494-R498 VanDerWaalsContact O-N 3.13Å; G494-R498 PolarHBondContact O-NH1 3.38Å; R495-R498 PolarHBondContact O-N 2.72Å; R498-T500 VanDerWaalsContact C-N 3.34Å; R498-T500 PolarHBondContact O-N 2.93Å; R498-L501 PolarHBondContact O-N 3.45Å; R498-V502 PolarHBondContact O-N 3.25Å; R498-V695 HydrophobicContact CB-CB 3.9Å; R498-V695 HydrophobicContact CB-CG1 4.41Å; R498-V695 HydrophobicContact CB-CG2 4.29Å; R498-V695 PolarHBondContact NE-O 3.2Å; R498-H699 VanDerWaalsContact CZ-CD2 3.47Å; R498-H699 PolarHBondContact NH1-NE2 3.37Å; R498-H699 PolarHBondContact NH2-CD2 3.46Å; R498-H699 PolarHBondContact NH2-NE2 3.48Å |
| 499 | R | 95.2 | Very high | 95.1 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 178.5 | -71.8 | 178.6 | 64.2 | 93.4 | 3.9 | 111.8 | D335 H337 R495 I497 V502 R503 Y692 V695 D696 | D335-R499 IonicContact OD1-CZ 3.77Å; D335-R499 IonicContact OD1-NH2 3.15Å; D335-R499 PolarHBondContact OD1-NH2 3.39Å; D335-R499 IonicContact OD2-CZ 2.77Å; D335-R499 VanDerWaalsContact OD2-CZ 3.25Å; D335-R499 IonicContact OD2-NE 2.86Å; D335-R499 PolarHBondContact OD2-NE 3.03Å; D335-R499 IonicContact OD2-NH2 3.41Å; D335-R499 PolarHBondContact OD2-NH2 3.38Å; H337-R499 VanDerWaalsContact C-NH2 3.29Å; H337-R499 PolarHBondContact O-NH2 3.3Å; R495-R499 HydrophobicContact CG-CG 4.43Å; R495-R499 WeakPolarHBondContact O-CB 3.32Å; R495-R499 WeakPolarHBondContact O-CG 3.47Å; R495-R499 PolarHBondContact O-N 2.72Å; I497-R499 PolarHBondContact O-N 3.21Å; R499-V502 VanDerWaalsContact O-CG2 3.3Å; R499-V502 WeakPolarHBondContact O-CG2 3.42Å; R499-R503 VanDerWaalsContact O-CB 3.23Å; R499-R503 WeakPolarHBondContact O-CB 3.24Å; R499-R503 PolarHBondContact O-N 3.47Å; R499-Y692 HydrophobicContact CB-CD1 4.47Å; R499-Y692 HydrophobicContact CB-CE1 4.15Å; R499-Y692 HydrophobicContact CG-CD1 4.24Å; R499-Y692 HydrophobicContact CG-CE1 4.38Å; R499-V695 HydrophobicContact CG-CG2 3.99Å; R499-D696 IonicContact CZ-OD2 3.7Å; R499-D696 IonicContact NH1-OD2 3.51Å; R499-D696 PolarHBondContact NH1-OD2 3.25Å |
| 500 | T | 97.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 178.2 | -57.9 | 0 | 0 | 0 | 0 | 111.9 | L332 M496 I497 R498 R503 Y504 L568 | L332-T500 HydrophobicContact CD2-CG2 3.79Å; M496-T500 VanDerWaalsContact O-CB 3.24Å; M496-T500 WeakPolarHBondContact O-CB 3.35Å; M496-T500 PolarHBondContact O-N 3.22Å; M496-T500 PolarHBondContact O-OG1 2.93Å; I497-T500 PolarHBondContact O-N 2.85Å; R498-T500 VanDerWaalsContact C-N 3.34Å; R498-T500 PolarHBondContact O-N 2.93Å; T500-R503 PolarHBondContact O-N 3.04Å; T500-Y504 HydrophobicContact CG2-CD1 4.32Å; T500-Y504 HydrophobicContact CG2-CD2 3.91Å; T500-Y504 HydrophobicContact CG2-CE1 3.89Å; T500-Y504 HydrophobicContact CG2-CE2 3.44Å; T500-Y504 VanDerWaalsContact CG2-CE2 3.44Å; T500-Y504 HydrophobicContact CG2-CG 4.33Å; T500-Y504 VanDerWaalsContact CG2-CZ 3.41Å; T500-Y504 PolarHBondContact O-N 3.48Å; T500-L568 HydrophobicContact CG2-CD2 3.67Å |
| 501 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 178.2 | -74.5 | 172.6 | 0 | 0 | 0 | 112.2 | V483 I487 I497 R498 R503 Y504 I505 A565 L568 V569 | V483-L501 HydrophobicContact CG1-CB 4.22Å; V483-L501 HydrophobicContact CG1-CD1 3.96Å; V483-L501 HydrophobicContact CG2-CB 4.34Å; V483-L501 HydrophobicContact CG2-CD1 4.16Å; I487-L501 HydrophobicContact CD1-CD1 4.21Å; I487-L501 HydrophobicContact CG1-CD1 3.95Å; I497-L501 HydrophobicContact CG2-CD1 3.97Å; I497-L501 HydrophobicContact CG2-CG 4.41Å; I497-L501 VanDerWaalsContact O-CG 3.31Å; I497-L501 WeakPolarHBondContact O-CG 3.16Å; I497-L501 PolarHBondContact O-N 3.37Å; R498-L501 PolarHBondContact O-N 3.45Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.41Å; L501-Y504 PolarHBondContact O-N 2.96Å; L501-I505 WeakPolarHBondContact O-CG1 3.28Å; L501-I505 PolarHBondContact O-N 3.06Å; L501-I505 VanDerWaalsContact O-N 3.11Å; L501-A565 HydrophobicContact CD2-CB 3.98Å; L501-A565 WeakPolarHBondContact CD2-O 3.41Å; L501-L568 HydrophobicContact CD2-CB 4.05Å; L501-L568 HydrophobicContact CD2-CD2 3.86Å; L501-L568 HydrophobicContact CD2-CG 4.01Å; L501-L568 HydrophobicContact CG-CD2 3.91Å; L501-L568 HydrophobicContact CG-CG 4.32Å; L501-V569 HydrophobicContact CD1-CG2 4.03Å; L501-V569 HydrophobicContact CD2-CG2 3.6Å; L501-V569 HydrophobicContact CG-CG2 4.5Å |
| 502 | V | 97.5 | Very high | 96.1 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.8 | -31.6 | 179 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | A480 V483 R498 R499 I505 N506 C691 Y692 V695 | A480-V502 HydrophobicContact CB-CG1 3.99Å; V483-V502 HydrophobicContact CG1-CG1 4.47Å; R498-V502 PolarHBondContact O-N 3.25Å; R499-V502 VanDerWaalsContact O-CG2 3.3Å; R499-V502 WeakPolarHBondContact O-CG2 3.42Å; V502-I505 PolarHBondContact O-N 3.01Å; V502-N506 PolarHBondContact O-N 2.86Å; V502-N506 PolarHBondContact O-ND2 2.95Å; V502-C691 HydrophobicContact CB-CB 3.71Å; V502-C691 HydrophobicContact CG1-CB 4.19Å; V502-C691 HydrophobicContact CG2-CB 3.81Å; V502-Y692 HydrophobicContact CG2-CD1 4.04Å; V502-Y692 HydrophobicContact CG2-CE1 4.09Å; V502-V695 HydrophobicContact CG1-CG1 3.66Å; V502-V695 HydrophobicContact CG2-CG1 4.39Å; V502-V695 HydrophobicContact CG2-CG2 3.95Å |
| 503 | R | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 9 Ų | 9 | 1% | 0.011 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 174.1 | -175.3 | 174.6 | 58.5 | 79.9 | -4.3 | 111.8 | R499 T500 L501 I505 N506 L507 G534 F535 E540 Y692 | R499-R503 VanDerWaalsContact O-CB 3.23Å; R499-R503 WeakPolarHBondContact O-CB 3.24Å; R499-R503 PolarHBondContact O-N 3.47Å; T500-R503 PolarHBondContact O-N 3.04Å; L501-R503 VanDerWaalsContact C-N 3.31Å; L501-R503 PolarHBondContact O-N 3.41Å; R503-I505 PolarHBondContact O-N 3.36Å; R503-N506 PolarHBondContact O-N 3.31Å; R503-L507 VanDerWaalsContact O-CB 3.26Å; R503-L507 WeakPolarHBondContact O-CB 3.08Å; R503-L507 PolarHBondContact O-N 3.31Å; R503-G534 VanDerWaalsContact CD-O 3.29Å; R503-G534 WeakPolarHBondContact CD-O 3.45Å; R503-F535 WeakPolarHBondContact CD-O 3.41Å; R503-F535 VanDerWaalsContact CG-O 3.22Å; R503-F535 WeakPolarHBondContact CG-O 3.4Å; R503-F535 PolarHBondContact NH1-O 3.12Å; R503-E540 IonicContact CZ-OE1 3.81Å; R503-E540 IonicContact CZ-OE2 2.95Å; R503-E540 IonicContact NH1-OE1 2.7Å; R503-E540 IonicContact NH1-OE2 2.88Å; R503-E540 PolarHBondContact NH1-OE2 3.27Å; R503-E540 IonicContact NH2-OE1 3.42Å; R503-E540 PolarHBondContact NH2-OE1 2.79Å; R503-E540 IonicContact NH2-OE2 2.64Å; R503-E540 PolarHBondContact NH2-OE2 3.05Å; R503-Y692 WeakPolarHBondContact CD-OH 3.15Å |
| 504 | Y | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 7 Ų | 7 | 0% | 0.004 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -63.2 | -39 | 175.3 | -73.1 | -12.8 | 0 | 0 | 0 | 113.3 | T500 L501 L507 S508 E540 P561 W564 A565 | T500-Y504 HydrophobicContact CG2-CD1 4.32Å; T500-Y504 HydrophobicContact CG2-CD2 3.91Å; T500-Y504 HydrophobicContact CG2-CE1 3.89Å; T500-Y504 HydrophobicContact CG2-CE2 3.44Å; T500-Y504 VanDerWaalsContact CG2-CE2 3.44Å; T500-Y504 HydrophobicContact CG2-CG 4.33Å; T500-Y504 VanDerWaalsContact CG2-CZ 3.41Å; T500-Y504 PolarHBondContact O-N 3.48Å; L501-Y504 PolarHBondContact O-N 2.96Å; Y504-L507 PolarHBondContact O-N 3.03Å; Y504-S508 PolarHBondContact O-N 3.12Å; Y504-E540 WeakPolarHBondContact CE1-OE1 3.47Å; Y504-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y504-E540 PolarHBondContact OH-OE1 3.35Å; Y504-P561 WeakPolarHBondContact CB-O 3.16Å; Y504-P561 HydrophobicContact CG-CB 4.45Å; Y504-W564 HydrophobicContact CD1-CE3 4.41Å; Y504-W564 HydrophobicContact CD2-CB 3.81Å; Y504-W564 HydrophobicContact CE1-CE3 4.01Å; Y504-W564 HydrophobicContact CE2-CB 3.56Å; Y504-W564 HydrophobicContact CE2-CE3 4.44Å; Y504-A565 HydrophobicContact CD2-CB 4.14Å |
| 505 | I | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 173.1 | -70.2 | 168.6 | 0 | 0 | 0 | 110.9 | P476 A479 L501 V502 R503 T509 L562 I591 I594 | P476-I505 HydrophobicContact CB-CG2 3.88Å; A479-I505 HydrophobicContact CB-CD1 3.88Å; L501-I505 WeakPolarHBondContact O-CG1 3.28Å; L501-I505 PolarHBondContact O-N 3.06Å; L501-I505 VanDerWaalsContact O-N 3.11Å; V502-I505 PolarHBondContact O-N 3.01Å; R503-I505 PolarHBondContact O-N 3.36Å; I505-T509 PolarHBondContact O-N 2.94Å; I505-T509 PolarHBondContact O-OG1 3.16Å; I505-L562 HydrophobicContact CG1-CD2 4.13Å; I505-I591 HydrophobicContact CD1-CG1 4.2Å; I505-I594 HydrophobicContact CD1-CD1 4.31Å; I505-I594 HydrophobicContact CG2-CD1 3.61Å; I505-I594 HydrophobicContact CG2-CG2 4.16Å |
| 506 | N | 97.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 8.3 Ų | 8.3 | 4% | 0.043 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -67.6 | -39.1 | 179 | -79.3 | -71.4 | 0 | 0 | 0 | 112.3 | V502 R503 T509 L510 F535 N687 L688 C691 | V502-N506 PolarHBondContact O-N 2.86Å; V502-N506 PolarHBondContact O-ND2 2.95Å; R503-N506 PolarHBondContact O-N 3.31Å; N506-T509 PolarHBondContact O-N 3.44Å; N506-L510 WeakPolarHBondContact O-CB 3.33Å; N506-L510 PolarHBondContact O-N 3.43Å; N506-F535 HydrophobicContact CB-CD1 4.36Å; N506-F535 HydrophobicContact CB-CE1 4.13Å; N506-N687 WeakPolarHBondContact OD1-CB 3.29Å; N506-L688 HydrophobicContact CB-CD1 4.25Å; N506-C691 PolarHBondContact ND2-SG 2.95Å; N506-C691 VanDerWaalsContact ND2-SG 3.41Å |
| 507 | L | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 177.9 | 174.6 | 62.1 | 0 | 0 | 0 | 111.9 | R503 Y504 T509 L510 F511 L530 F535 I536 P561 | R503-L507 VanDerWaalsContact O-CB 3.26Å; R503-L507 WeakPolarHBondContact O-CB 3.08Å; R503-L507 PolarHBondContact O-N 3.31Å; Y504-L507 PolarHBondContact O-N 3.03Å; L507-T509 VanDerWaalsContact C-N 3.32Å; L507-T509 PolarHBondContact O-N 2.96Å; L507-L510 PolarHBondContact O-N 3.33Å; L507-L510 VanDerWaalsContact O-N 3.17Å; L507-F511 HydrophobicContact CD1-CD1 4.31Å; L507-F511 HydrophobicContact CD1-CE1 3.78Å; L507-F511 HydrophobicContact CD1-CE2 4.29Å; L507-F511 HydrophobicContact CD1-CZ 3.77Å; L507-F511 HydrophobicContact CD2-CZ 4.41Å; L507-F511 HydrophobicContact CG-CE1 4.47Å; L507-F511 HydrophobicContact CG-CE2 4.11Å; L507-F511 HydrophobicContact CG-CZ 4.05Å; L507-F511 PolarHBondContact O-N 3.42Å; L507-L530 HydrophobicContact CD1-CD2 3.61Å; L507-F535 HydrophobicContact CD1-CB 3.99Å; L507-I536 HydrophobicContact CD1-CB 4.02Å; L507-I536 HydrophobicContact CD2-CB 3.86Å; L507-I536 HydrophobicContact CD2-CD1 4Å; L507-I536 HydrophobicContact CD2-CG1 3.9Å; L507-P561 HydrophobicContact CD2-CB 4.06Å; L507-P561 HydrophobicContact CD2-CG 3.82Å; L507-P561 HydrophobicContact CG-CB 4.34Å; L507-P561 HydrophobicContact CG-CG 3.98Å |
| 508 | S | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | 177.3 | -175.9 | 0 | 0 | 0 | 0 | 112.1 | Y504 F511 V512 F558 L562 I598 | Y504-S508 PolarHBondContact O-N 3.12Å; S508-F511 PolarHBondContact O-N 3.41Å; S508-V512 PolarHBondContact O-N 3.47Å; S508-F558 WeakPolarHBondContact CB-O 3.31Å; S508-F558 PolarHBondContact OG-O 3.45Å; S508-L562 WeakPolarHBondContact OG-CD1 3.47Å; S508-L562 WeakPolarHBondContact OG-CG 3.36Å; S508-I598 WeakPolarHBondContact OG-CD1 3.43Å |
| 509 | T | 97.2 | Very high | 93.9 | Very high | 10 Ų | 10 | 9.4 Ų | 9.4 | 6% | 0.061 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 172.7 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | I505 N506 L507 F511 V512 L513 I598 | I505-T509 PolarHBondContact O-N 2.94Å; I505-T509 PolarHBondContact O-OG1 3.16Å; N506-T509 PolarHBondContact O-N 3.44Å; L507-T509 VanDerWaalsContact C-N 3.32Å; L507-T509 PolarHBondContact O-N 2.96Å; T509-F511 PolarHBondContact O-N 3.25Å; T509-V512 PolarHBondContact O-N 3.42Å; T509-L513 HydrophobicContact CG2-CD1 3.93Å; T509-L513 HydrophobicContact CG2-CG 4.21Å; T509-L513 WeakPolarHBondContact O-CG 3.46Å; T509-L513 PolarHBondContact O-N 2.68Å; T509-I598 HydrophobicContact CG2-CG2 4.26Å |
| 510 | L | 96.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.7 | -36.9 | 179.9 | 179.4 | 57.5 | 0 | 0 | 0 | 112.6 | N506 L507 V512 L513 R514 V520 F524 L530 F535 I684 | N506-L510 WeakPolarHBondContact O-CB 3.33Å; N506-L510 PolarHBondContact O-N 3.43Å; L507-L510 PolarHBondContact O-N 3.33Å; L507-L510 VanDerWaalsContact O-N 3.17Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.48Å; L510-L513 PolarHBondContact O-N 2.77Å; L510-R514 WeakPolarHBondContact O-CB 3.36Å; L510-R514 PolarHBondContact O-N 2.94Å; L510-V520 HydrophobicContact CD1-CG1 3.75Å; L510-F524 HydrophobicContact CD1-CD2 3.68Å; L510-F524 HydrophobicContact CD1-CE2 3.72Å; L510-F524 HydrophobicContact CD1-CG 4.38Å; L510-F524 HydrophobicContact CD1-CZ 4.46Å; L510-F524 HydrophobicContact CD2-CD2 4.44Å; L510-F524 HydrophobicContact CD2-CE1 4.42Å; L510-F524 HydrophobicContact CD2-CE2 4.34Å; L510-F524 HydrophobicContact CD2-CZ 4.33Å; L510-L530 HydrophobicContact CD2-CD2 3.63Å; L510-L530 HydrophobicContact CD2-CG 4.1Å; L510-L530 HydrophobicContact CG-CD2 3.98Å; L510-F535 HydrophobicContact CD2-CB 4.25Å; L510-F535 HydrophobicContact CD2-CD1 3.87Å; L510-F535 HydrophobicContact CD2-CD2 3.54Å; L510-F535 HydrophobicContact CD2-CE1 4.05Å; L510-F535 HydrophobicContact CD2-CE2 3.74Å; L510-F535 HydrophobicContact CD2-CG 3.61Å; L510-F535 HydrophobicContact CD2-CZ 4Å; L510-I684 HydrophobicContact CD1-CD1 3.69Å; L510-I684 HydrophobicContact CD1-CG1 4.33Å; L510-I684 HydrophobicContact CD1-CG2 4.5Å |
| 511 | F | 94.5 | Very high | 93 | Very high | 5 Ų | 5 | 13 Ų | 13 | 2% | 0.022 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -55.1 | -50.2 | 173.4 | -73.6 | -28.2 | 0 | 0 | 0 | 111.4 | L507 S508 T509 D515 M527 L530 I536 F544 F558 P561 | L507-F511 HydrophobicContact CD1-CD1 4.31Å; L507-F511 HydrophobicContact CD1-CE1 3.78Å; L507-F511 HydrophobicContact CD1-CE2 4.29Å; L507-F511 HydrophobicContact CD1-CZ 3.77Å; L507-F511 HydrophobicContact CD2-CZ 4.41Å; L507-F511 HydrophobicContact CG-CE1 4.47Å; L507-F511 HydrophobicContact CG-CE2 4.11Å; L507-F511 HydrophobicContact CG-CZ 4.05Å; L507-F511 PolarHBondContact O-N 3.42Å; S508-F511 PolarHBondContact O-N 3.41Å; T509-F511 PolarHBondContact O-N 3.25Å; F511-D515 PolarHBondContact O-N 3.06Å; F511-M527 HydrophobicContact CD1-CE 4.38Å; F511-M527 HydrophobicContact CD1-SD 4.5Å; F511-M527 HydrophobicContact CE1-CE 4.21Å; F511-M527 HydrophobicContact CE1-SD 3.76Å; F511-L530 HydrophobicContact CD1-CD2 3.95Å; F511-L530 HydrophobicContact CE1-CD2 3.77Å; F511-I536 HydrophobicContact CZ-CD1 4.49Å; F511-F544 HydrophobicContact CD2-CE2 4.41Å; F511-F544 HydrophobicContact CE2-CD2 4.13Å; F511-F544 AromaticContact CE2-CE2 3.58Å; F511-F544 HydrophobicContact CE2-CE2 3.58Å; F511-F544 AromaticContact CE2-CZ 3.9Å; F511-F544 HydrophobicContact CE2-CZ 3.9Å; F511-F544 HydrophobicContact CZ-CD2 4.23Å; F511-F544 HydrophobicContact CZ-CE1 4.3Å; F511-F544 AromaticContact CZ-CE2 3.9Å; F511-F544 HydrophobicContact CZ-CE2 3.9Å; F511-F544 AromaticContact CZ-CZ 3.94Å; F511-F544 HydrophobicContact CZ-CZ 3.94Å; F511-F558 HydrophobicContact CB-CB 4.11Å; F511-P561 HydrophobicContact CD2-CG 4.1Å; F511-P561 HydrophobicContact CE2-CG 3.58Å |
| 512 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.7 | -48.9 | 177.9 | 178.7 | 0 | 0 | 0 | 0 | 111.6 | S508 T509 L510 R514 D515 I516 Y556 F558 I598 L601 | S508-V512 PolarHBondContact O-N 3.47Å; T509-V512 PolarHBondContact O-N 3.42Å; L510-V512 VanDerWaalsContact C-N 3.33Å; L510-V512 PolarHBondContact O-N 3.48Å; V512-R514 VanDerWaalsContact C-N 3.3Å; V512-R514 PolarHBondContact O-N 3.2Å; V512-D515 PolarHBondContact O-N 3.39Å; V512-D515 VanDerWaalsContact O-N 3.1Å; V512-I516 HydrophobicContact CG1-CD1 4.05Å; V512-I516 HydrophobicContact CG1-CG2 4.41Å; V512-I516 WeakPolarHBondContact O-CG1 3.43Å; V512-I516 PolarHBondContact O-N 3.35Å; V512-I516 VanDerWaalsContact O-N 3.1Å; V512-Y556 WeakPolarHBondContact CA-OH 3.32Å; V512-F558 HydrophobicContact CG2-CB 3.74Å; V512-F558 HydrophobicContact CG2-CD1 4.41Å; V512-F558 HydrophobicContact CG2-CD2 3.64Å; V512-F558 HydrophobicContact CG2-CE2 4.4Å; V512-F558 HydrophobicContact CG2-CG 3.66Å; V512-I598 HydrophobicContact CG2-CB 4.34Å; V512-L601 HydrophobicContact CG1-CB 4.43Å; V512-L601 HydrophobicContact CG1-CD2 4.37Å |
| 513 | L | 94.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | -178.6 | -67.8 | -177.8 | 0 | 0 | 0 | 112.6 | T509 L510 D515 I516 S517 V520 L601 L680 I684 | T509-L513 HydrophobicContact CG2-CD1 3.93Å; T509-L513 HydrophobicContact CG2-CG 4.21Å; T509-L513 WeakPolarHBondContact O-CG 3.46Å; T509-L513 PolarHBondContact O-N 2.68Å; L510-L513 PolarHBondContact O-N 2.77Å; L513-D515 VanDerWaalsContact C-N 3.27Å; L513-D515 PolarHBondContact O-N 2.85Å; L513-I516 HydrophobicContact CD2-CD1 4.39Å; L513-S517 VanDerWaalsContact O-CB 3.23Å; L513-S517 WeakPolarHBondContact O-CB 3.37Å; L513-S517 PolarHBondContact O-N 2.86Å; L513-V520 HydrophobicContact CB-CG1 4.3Å; L513-V520 HydrophobicContact CB-CG2 4.42Å; L513-L601 HydrophobicContact CD2-CD2 3.76Å; L513-L680 HydrophobicContact CD1-CD2 4.43Å; L513-L680 HydrophobicContact CD2-CD1 3.89Å; L513-L680 HydrophobicContact CD2-CD2 4.03Å; L513-I684 HydrophobicContact CD1-CD1 4.06Å; L513-I684 HydrophobicContact CD1-CG1 3.9Å |
| 514 | R | 90.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 17 Ų | 17 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.7 | 174.4 | -175.2 | 165.4 | -99.1 | 9.3 | 111.5 | L510 V512 V520 K521 F524 P525 | L510-R514 WeakPolarHBondContact O-CB 3.36Å; L510-R514 PolarHBondContact O-N 2.94Å; V512-R514 VanDerWaalsContact C-N 3.3Å; V512-R514 PolarHBondContact O-N 3.2Å; R514-V520 HydrophobicContact CB-CG1 4.2Å; R514-K521 HydrophobicContact CG-CD 3.73Å; R514-K521 WeakPolarHBondContact O-CB 3.44Å; R514-K521 WeakPolarHBondContact O-CD 3.04Å; R514-F524 WeakPolarHBondContact CD-O 3.28Å; R514-F524 HydrophobicContact CG-CB 4.49Å; R514-F524 WeakPolarHBondContact CG-O 3.2Å; R514-F524 PolarHBondContact NE-O 3.17Å; R514-P525 PolarHBondContact NH2-O 3.32Å |
| 515 | D | 88.9 | Confident | 90.3 | Very high | 69 Ų | 69 | 19.4 Ų | 19.4 | 37% | 0.369 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -88.6 | -19.9 | -173.2 | -67 | -23.6 | 0 | 0 | 0 | 113.5 | F511 V512 L513 K521 | F511-D515 PolarHBondContact O-N 3.06Å; V512-D515 PolarHBondContact O-N 3.39Å; V512-D515 VanDerWaalsContact O-N 3.1Å; L513-D515 VanDerWaalsContact C-N 3.27Å; L513-D515 PolarHBondContact O-N 2.85Å; D515-K521 IonicContact OD1-NZ 2.6Å; D515-K521 PolarHBondContact OD1-NZ 3.02Å |
| 516 | I | 90.1 | Very high | 89.7 | Confident | 15 Ų | 15 | 22 Ų | 22 | 8% | 0.077 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -102.9 | -18.4 | 177 | 73.8 | -176.7 | 0 | 0 | 0 | 114.4 | V512 L513 L601 D605 F671 | V512-I516 HydrophobicContact CG1-CD1 4.05Å; V512-I516 HydrophobicContact CG1-CG2 4.41Å; V512-I516 WeakPolarHBondContact O-CG1 3.43Å; V512-I516 PolarHBondContact O-N 3.35Å; V512-I516 VanDerWaalsContact O-N 3.1Å; L513-I516 HydrophobicContact CD2-CD1 4.39Å; I516-L601 HydrophobicContact CD1-CD2 3.76Å; I516-L601 HydrophobicContact CD1-CG 3.74Å; I516-D605 HydrophobicContact CB-CB 4.1Å; I516-D605 HydrophobicContact CG2-CB 3.6Å; I516-F671 HydrophobicContact CB-CD2 4.41Å; I516-F671 HydrophobicContact CD1-CD2 3.94Å; I516-F671 HydrophobicContact CD1-CE1 4.19Å; I516-F671 HydrophobicContact CD1-CE2 3.54Å; I516-F671 HydrophobicContact CD1-CG 4.42Å; I516-F671 HydrophobicContact CD1-CZ 3.65Å; I516-F671 HydrophobicContact CG1-CD2 4.01Å; I516-F671 HydrophobicContact CG1-CE2 4.14Å; I516-F671 HydrophobicContact CG1-CG 4.27Å; I516-F671 HydrophobicContact CG1-CZ 4.48Å; I516-F671 WeakPolarHBondContact O-CB 3.32Å |
| 517 | S | 88.6 | Confident | 89.3 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | trans | -111.9 | 125 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 112.7 | L513 A519 V520 K521 F671 | L513-S517 VanDerWaalsContact O-CB 3.23Å; L513-S517 WeakPolarHBondContact O-CB 3.37Å; L513-S517 PolarHBondContact O-N 2.86Å; S517-A519 VanDerWaalsContact C-N 3.33Å; S517-A519 PolarHBondContact O-N 3.49Å; S517-A519 PolarHBondContact OG-N 3.34Å; S517-V520 PolarHBondContact O-N 2.95Å; S517-V520 PolarHBondContact OG-N 3.25Å; S517-K521 WeakPolarHBondContact O-CB 3.27Å; S517-K521 PolarHBondContact O-N 3.17Å; S517-F671 WeakPolarHBondContact CA-O 3.13Å; S517-F671 WeakPolarHBondContact CB-O 3.14Å; S517-F671 PolarHBondContact OG-O 2.9Å | ||
| 518 | T | 82.3 | Confident | 88.8 | Confident | 41 Ų | 41 | 29.8 Ų | 29.8 | 25% | 0.252 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 175 | 54.6 | 0 | 0 | 0 | 0 | 111.4 | A10 V520 K521 K522 F671 E673 | A10-T518 HydrophobicContact CB-CG2 3.68Å; T518-V520 VanDerWaalsContact C-N 3.34Å; T518-V520 PolarHBondContact O-N 2.85Å; T518-K521 PolarHBondContact O-N 3.35Å; T518-K522 WeakPolarHBondContact O-CG 3.29Å; T518-K522 PolarHBondContact O-N 3.01Å; T518-F671 PolarHBondContact N-O 2.98Å; T518-E673 PolarHBondContact OG1-OE1 3.15Å |
| 519 | A | 80.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.3 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L354 S517 E673 N681 | L354-A519 HydrophobicContact CD1-CB 3.92Å; S517-A519 VanDerWaalsContact C-N 3.33Å; S517-A519 PolarHBondContact O-N 3.49Å; S517-A519 PolarHBondContact OG-N 3.34Å; A519-E673 HydrophobicContact CB-CG 4.1Å; A519-N681 PolarHBondContact O-ND2 2.91Å |
| 520 | V | 86.4 | Confident | 88.2 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.2 | -39 | 177.4 | -177 | 0 | 0 | 0 | 0 | 110.8 | L510 L513 R514 S517 T518 K522 R523 F524 L680 I684 | L510-V520 HydrophobicContact CD1-CG1 3.75Å; L513-V520 HydrophobicContact CB-CG1 4.3Å; L513-V520 HydrophobicContact CB-CG2 4.42Å; R514-V520 HydrophobicContact CB-CG1 4.2Å; S517-V520 PolarHBondContact O-N 2.95Å; S517-V520 PolarHBondContact OG-N 3.25Å; T518-V520 VanDerWaalsContact C-N 3.34Å; T518-V520 PolarHBondContact O-N 2.85Å; V520-K522 VanDerWaalsContact C-N 3.29Å; V520-K522 PolarHBondContact O-N 2.97Å; V520-R523 WeakPolarHBondContact O-CA 3.49Å; V520-R523 WeakPolarHBondContact O-CB 3.36Å; V520-R523 PolarHBondContact O-N 3.46Å; V520-F524 HydrophobicContact CG1-CD2 3.78Å; V520-F524 HydrophobicContact CG1-CE2 4.23Å; V520-F524 PolarHBondContact O-N 2.86Å; V520-L680 HydrophobicContact CG2-CB 3.6Å; V520-L680 HydrophobicContact CG2-CD1 3.98Å; V520-L680 HydrophobicContact CG2-CG 4.49Å; V520-I684 HydrophobicContact CB-CD1 4.46Å; V520-I684 HydrophobicContact CG1-CD1 3.69Å; V520-I684 HydrophobicContact CG2-CD1 3.84Å |
| 521 | K | 86.2 | Confident | 88 | Confident | 78 Ų | 78 | 32.9 Ų | 32.9 | 34% | 0.339 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.5 | -39 | 175 | -166.8 | 65.1 | 161.2 | -156.4 | 0 | 112.4 | R514 D515 S517 T518 R523 F524 P525 | R514-K521 HydrophobicContact CG-CD 3.73Å; R514-K521 WeakPolarHBondContact O-CB 3.44Å; R514-K521 WeakPolarHBondContact O-CD 3.04Å; D515-K521 IonicContact OD1-NZ 2.6Å; D515-K521 PolarHBondContact OD1-NZ 3.02Å; S517-K521 WeakPolarHBondContact O-CB 3.27Å; S517-K521 PolarHBondContact O-N 3.17Å; T518-K521 PolarHBondContact O-N 3.35Å; K521-R523 PolarHBondContact O-N 2.99Å; K521-F524 CarbonylContact O-C 3.55Å; K521-F524 VanDerWaalsContact O-C 3.31Å; K521-F524 PolarHBondContact O-N 3.46Å; K521-P525 VanDerWaalsContact O-CA 3.23Å; K521-P525 WeakPolarHBondContact O-CA 3.49Å; K521-P525 VanDerWaalsContact O-N 3.09Å |
| 522 | K | 81.9 | Confident | 87.5 | Confident | 85 Ų | 85 | 38.1 Ų | 38.1 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.7 | -32.4 | 173.7 | -77.3 | 177.1 | 177.8 | 175.7 | 0 | 112.4 | T348 A350 L354 T518 V520 E673 | T348-K522 PolarHBondContact OG1-O 3.21Å; A350-K522 HydrophobicContact CB-CB 4.44Å; L354-K522 HydrophobicContact CD1-CD 4.32Å; T518-K522 WeakPolarHBondContact O-CG 3.29Å; T518-K522 PolarHBondContact O-N 3.01Å; V520-K522 VanDerWaalsContact C-N 3.29Å; V520-K522 PolarHBondContact O-N 2.97Å; K522-E673 VanDerWaalsContact CE-OE1 3.24Å; K522-E673 WeakPolarHBondContact CE-OE1 3.11Å; K522-E673 IonicContact NZ-OE1 2.65Å; K522-E673 PolarHBondContact NZ-OE1 2.95Å; K522-E673 IonicContact NZ-OE2 3.58Å; K522-E673 PolarHBondContact NZ-OE2 2.64Å |
| 523 | R | 85 | Confident | 87.2 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -80.8 | -38.5 | 178.1 | -172.9 | 175.1 | 179 | -168.1 | 7.7 | 113 | I345 P346 H347 T348 S351 V520 K521 P525 N681 D685 | I345-R523 VanDerWaalsContact CB-NH2 3.28Å; I345-R523 PolarHBondContact O-NH2 2.88Å; P346-R523 PolarHBondContact O-NE 3.1Å; P346-R523 PolarHBondContact O-NH2 3.32Å; H347-R523 PolarHBondContact CE1-NE 3.21Å; H347-R523 PolarHBondContact NE2-NH2 2.94Å; T348-R523 VanDerWaalsContact CG2-O 3.28Å; T348-R523 WeakPolarHBondContact CG2-O 3.33Å; S351-R523 WeakPolarHBondContact OG-CA 3.48Å; V520-R523 WeakPolarHBondContact O-CA 3.49Å; V520-R523 WeakPolarHBondContact O-CB 3.36Å; V520-R523 PolarHBondContact O-N 3.46Å; K521-R523 PolarHBondContact O-N 2.99Å; R523-P525 VanDerWaalsContact C-CD 3.41Å; R523-P525 WeakPolarHBondContact O-CD 3.31Å; R523-N681 WeakPolarHBondContact CD-OD1 3.25Å; R523-N681 PolarHBondContact NH1-O 2.98Å; R523-D685 IonicContact CZ-OD1 2.68Å; R523-D685 IonicContact CZ-OD2 3.01Å; R523-D685 IonicContact NH1-OD1 3.83Å; R523-D685 PolarHBondContact NH1-OD1 3.3Å; R523-D685 IonicContact NH1-OD2 3.59Å; R523-D685 IonicContact NH2-OD1 2.97Å; R523-D685 PolarHBondContact NH2-OD1 3.33Å; R523-D685 IonicContact NH2-OD2 3.93Å; R523-D685 PolarHBondContact NH2-OD2 3.41Å |
| 524 | F | 86.5 | Confident | 87 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -124.5 | 66.7 | -178.4 | -52 | -79.4 | 0 | 0 | 0 | 110.8 | I345 L510 R514 V520 K521 H529 L530 S533 F535 I684 | I345-F524 HydrophobicContact CG2-CE1 4.13Å; I345-F524 HydrophobicContact CG2-CZ 4.1Å; L510-F524 HydrophobicContact CD1-CD2 3.68Å; L510-F524 HydrophobicContact CD1-CE2 3.72Å; L510-F524 HydrophobicContact CD1-CG 4.38Å; L510-F524 HydrophobicContact CD1-CZ 4.46Å; L510-F524 HydrophobicContact CD2-CD2 4.44Å; L510-F524 HydrophobicContact CD2-CE1 4.42Å; L510-F524 HydrophobicContact CD2-CE2 4.34Å; L510-F524 HydrophobicContact CD2-CZ 4.33Å; R514-F524 WeakPolarHBondContact CD-O 3.28Å; R514-F524 HydrophobicContact CG-CB 4.49Å; R514-F524 WeakPolarHBondContact CG-O 3.2Å; R514-F524 PolarHBondContact NE-O 3.17Å; V520-F524 HydrophobicContact CG1-CD2 3.78Å; V520-F524 HydrophobicContact CG1-CE2 4.23Å; V520-F524 PolarHBondContact O-N 2.86Å; K521-F524 CarbonylContact O-C 3.55Å; K521-F524 VanDerWaalsContact O-C 3.31Å; K521-F524 PolarHBondContact O-N 3.46Å; F524-H529 HydrophobicContact CB-CB 4.48Å; F524-H529 HydrophobicContact CD1-CB 4.32Å; F524-L530 HydrophobicContact CB-CD1 4.4Å; F524-S533 WeakPolarHBondContact CE1-OG 3.41Å; F524-F535 HydrophobicContact CE1-CD2 4.44Å; F524-F535 HydrophobicContact CE1-CE2 4.15Å; F524-F535 HydrophobicContact CZ-CE2 4.06Å; F524-I684 HydrophobicContact CE2-CD1 4.31Å; F524-I684 HydrophobicContact CE2-CG2 4.42Å; F524-I684 HydrophobicContact CZ-CG2 4.4Å |
| 525 | P | 81.5 | Confident | 87.2 | Confident | 50 Ų | 50 | 37.1 Ų | 37.1 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | trans | -66.8 | -41.2 | -174 | 24.6 | -33.6 | 0 | 0 | 0 | 112.2 | T348 R514 K521 R523 | T348-P525 HydrophobicContact CG2-CG 4.41Å; R514-P525 PolarHBondContact NH2-O 3.32Å; K521-P525 VanDerWaalsContact O-CA 3.23Å; K521-P525 WeakPolarHBondContact O-CA 3.49Å; K521-P525 VanDerWaalsContact O-N 3.09Å; R523-P525 VanDerWaalsContact C-CD 3.41Å; R523-P525 WeakPolarHBondContact O-CD 3.31Å | ||
| 526 | T | 86.3 | Confident | 87.5 | Confident | 57 Ų | 57 | 34 Ų | 34 | 35% | 0.35 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -115.9 | 163.4 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | E528 H529 L530 | T526-E528 PolarHBondContact O-N 2.96Å; T526-H529 WeakPolarHBondContact O-CB 3.37Å; T526-H529 PolarHBondContact O-N 3.04Å; T526-H529 VanDerWaalsContact O-N 3.17Å; T526-H529 PolarHBondContact OG1-ND1 3.22Å; T526-L530 WeakPolarHBondContact O-CD1 3.23Å |
| 527 | M | 87.7 | Confident | 87.7 | Confident | 46 Ų | 46 | 34.8 Ų | 34.8 | 23% | 0.227 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -30.6 | 176 | -71 | -64.6 | 131.3 | 0 | 0 | 113 | F511 H529 L530 V531 L541 | F511-M527 HydrophobicContact CD1-CE 4.38Å; F511-M527 HydrophobicContact CD1-SD 4.5Å; F511-M527 HydrophobicContact CE1-CE 4.21Å; F511-M527 HydrophobicContact CE1-SD 3.76Å; M527-H529 PolarHBondContact O-N 2.92Å; M527-L530 HydrophobicContact CE-CD1 4.23Å; M527-L530 WeakPolarHBondContact O-CB 3.25Å; M527-L530 PolarHBondContact O-N 2.8Å; M527-L530 HydrophobicContact SD-CD1 3.99Å; M527-V531 PolarHBondContact O-N 3.48Å; M527-L541 HydrophobicContact CB-CD1 3.68Å; M527-L541 HydrophobicContact CB-CD2 4.06Å; M527-L541 HydrophobicContact CG-CD1 4.09Å; M527-L541 HydrophobicContact SD-CD1 4.48Å |
| 528 | E | 88.7 | Confident | 87.9 | Confident | 125 Ų | 125 | 41.8 Ų | 41.8 | 58% | 0.584 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -59.6 | -33 | 174.5 | -61.7 | 171.4 | 158.5 | 0 | 0 | 112.1 | T526 L530 V531 H532 | T526-E528 PolarHBondContact O-N 2.96Å; E528-L530 PolarHBondContact O-N 3.07Å; E528-V531 WeakPolarHBondContact O-CB 3.39Å; E528-V531 PolarHBondContact O-N 2.9Å; E528-V531 VanDerWaalsContact O-N 3.12Å; E528-H532 PolarHBondContact O-CD2 3.1Å; E528-H532 PolarHBondContact O-N 3.25Å |
| 529 | H | 87.7 | Confident | 88.4 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.259 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.9 | -33.2 | 175.1 | -69.6 | 72.7 | 0 | 0 | 0 | 111.3 | T348 F524 T526 M527 S533 | T348-H529 VanDerWaalsContact CG2-CD2 3.44Å; T348-H529 WeakPolarHBondContact CG2-CD2 3.45Å; T348-H529 WeakPolarHBondContact CG2-NE2 3.31Å; F524-H529 HydrophobicContact CB-CB 4.48Å; F524-H529 HydrophobicContact CD1-CB 4.32Å; T526-H529 WeakPolarHBondContact O-CB 3.37Å; T526-H529 PolarHBondContact O-N 3.04Å; T526-H529 VanDerWaalsContact O-N 3.17Å; T526-H529 PolarHBondContact OG1-ND1 3.22Å; M527-H529 PolarHBondContact O-N 2.92Å; H529-S533 WeakPolarHBondContact O-CB 3.34Å; H529-S533 PolarHBondContact O-N 3.05Å; H529-S533 PolarHBondContact O-OG 3.04Å |
| 530 | L | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 174.7 | -68 | 96.5 | 0 | 0 | 0 | 111.9 | L507 L510 F511 F524 T526 M527 E528 G534 F535 I536 | L507-L530 HydrophobicContact CD1-CD2 3.61Å; L510-L530 HydrophobicContact CD2-CD2 3.63Å; L510-L530 HydrophobicContact CD2-CG 4.1Å; L510-L530 HydrophobicContact CG-CD2 3.98Å; F511-L530 HydrophobicContact CD1-CD2 3.95Å; F511-L530 HydrophobicContact CE1-CD2 3.77Å; F524-L530 HydrophobicContact CB-CD1 4.4Å; T526-L530 WeakPolarHBondContact O-CD1 3.23Å; M527-L530 HydrophobicContact CE-CD1 4.23Å; M527-L530 WeakPolarHBondContact O-CB 3.25Å; M527-L530 PolarHBondContact O-N 2.8Å; M527-L530 HydrophobicContact SD-CD1 3.99Å; E528-L530 PolarHBondContact O-N 3.07Å; L530-G534 PolarHBondContact O-N 3.03Å; L530-F535 HydrophobicContact CB-CB 4.38Å; L530-F535 PolarHBondContact O-N 3.27Å; L530-I536 HydrophobicContact CB-CG2 3.79Å; L530-I536 PolarHBondContact O-N 3.34Å |
| 531 | V | 91.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 13% | 0.127 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.6 | -52.6 | 173.6 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | M527 E528 S533 G534 I536 E538 L541 | M527-V531 PolarHBondContact O-N 3.48Å; E528-V531 WeakPolarHBondContact O-CB 3.39Å; E528-V531 PolarHBondContact O-N 2.9Å; E528-V531 VanDerWaalsContact O-N 3.12Å; V531-S533 PolarHBondContact O-N 2.94Å; V531-G534 PolarHBondContact O-N 2.9Å; V531-I536 WeakPolarHBondContact CA-O 3.25Å; V531-I536 HydrophobicContact CB-CG2 4.49Å; V531-I536 HydrophobicContact CG2-CG2 3.65Å; V531-E538 HydrophobicContact CG1-CG 3.71Å; V531-L541 HydrophobicContact CG2-CB 4.12Å; V531-L541 HydrophobicContact CG2-CD2 3.48Å; V531-L541 VanDerWaalsContact CG2-CD2 3.48Å; V531-L541 HydrophobicContact CG2-CG 4.4Å |
| 532 | H | 85.6 | Confident | 89.8 | Confident | 115 Ų | 115 | 43.9 Ų | 43.9 | 53% | 0.532 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -29.4 | 178.2 | -68.8 | -48.3 | 0 | 0 | 0 | 112.7 | K336 E528 G534 | K336-H532 WeakPolarHBondContact CD-O 3.46Å; K336-H532 WeakPolarHBondContact CE-O 3.32Å; K336-H532 PolarHBondContact NZ-O 2.6Å; E528-H532 PolarHBondContact O-CD2 3.1Å; E528-H532 PolarHBondContact O-N 3.25Å; H532-G534 VanDerWaalsContact C-N 3.34Å |
| 533 | S | 88.6 | Confident | 90.2 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -1.6 | 174.4 | -72.1 | 0 | 0 | 0 | 0 | 114.7 | H337 I345 F524 H529 V531 F535 | H337-S533 PolarHBondContact NE2-O 3.49Å; H337-S533 VanDerWaalsContact NE2-O 3.11Å; I345-S533 WeakPolarHBondContact CG2-OG 3.28Å; F524-S533 WeakPolarHBondContact CE1-OG 3.41Å; H529-S533 WeakPolarHBondContact O-CB 3.34Å; H529-S533 PolarHBondContact O-N 3.05Å; H529-S533 PolarHBondContact O-OG 3.04Å; V531-S533 PolarHBondContact O-N 2.94Å; S533-F535 VanDerWaalsContact C-N 3.33Å; S533-F535 PolarHBondContact O-N 3.11Å |
| 534 | G | 90 | Very high | 90.4 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 15.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R503 L530 V531 H532 | R503-G534 VanDerWaalsContact CD-O 3.29Å; R503-G534 WeakPolarHBondContact CD-O 3.45Å; L530-G534 PolarHBondContact O-N 3.03Å; V531-G534 PolarHBondContact O-N 2.9Å; H532-G534 VanDerWaalsContact C-N 3.34Å |
| 535 | F | 94.7 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -78.9 | -33.5 | 175.1 | -77.7 | -82.4 | 0 | 0 | 0 | 112.2 | I345 R503 N506 L507 L510 F524 L530 S533 I684 L688 | I345-F535 HydrophobicContact CD1-CE2 3.77Å; I345-F535 HydrophobicContact CD1-CZ 3.59Å; I345-F535 HydrophobicContact CG1-CE2 4.22Å; I345-F535 HydrophobicContact CG1-CZ 4.46Å; I345-F535 HydrophobicContact CG2-CE2 4.03Å; R503-F535 WeakPolarHBondContact CD-O 3.41Å; R503-F535 VanDerWaalsContact CG-O 3.22Å; R503-F535 WeakPolarHBondContact CG-O 3.4Å; R503-F535 PolarHBondContact NH1-O 3.12Å; N506-F535 HydrophobicContact CB-CD1 4.36Å; N506-F535 HydrophobicContact CB-CE1 4.13Å; L507-F535 HydrophobicContact CD1-CB 3.99Å; L510-F535 HydrophobicContact CD2-CB 4.25Å; L510-F535 HydrophobicContact CD2-CD1 3.87Å; L510-F535 HydrophobicContact CD2-CD2 3.54Å; L510-F535 HydrophobicContact CD2-CE1 4.05Å; L510-F535 HydrophobicContact CD2-CE2 3.74Å; L510-F535 HydrophobicContact CD2-CG 3.61Å; L510-F535 HydrophobicContact CD2-CZ 4Å; F524-F535 HydrophobicContact CE1-CD2 4.44Å; F524-F535 HydrophobicContact CE1-CE2 4.15Å; F524-F535 HydrophobicContact CZ-CE2 4.06Å; L530-F535 HydrophobicContact CB-CB 4.38Å; L530-F535 PolarHBondContact O-N 3.27Å; S533-F535 VanDerWaalsContact C-N 3.33Å; S533-F535 PolarHBondContact O-N 3.11Å; F535-I684 HydrophobicContact CE1-CG2 4.27Å; F535-I684 HydrophobicContact CE2-CG2 4.23Å; F535-I684 HydrophobicContact CZ-CG2 3.5Å; F535-I684 VanDerWaalsContact CZ-CG2 3.5Å; F535-L688 HydrophobicContact CD1-CD2 4.45Å; F535-L688 HydrophobicContact CE1-CB 4.32Å; F535-L688 HydrophobicContact CE1-CD1 4.21Å; F535-L688 HydrophobicContact CE1-CD2 3.92Å; F535-L688 HydrophobicContact CE1-CG 4.38Å; F535-L688 HydrophobicContact CE2-CD2 4.39Å; F535-L688 HydrophobicContact CZ-CB 4.43Å; F535-L688 HydrophobicContact CZ-CD2 3.88Å |
| 536 | I | 95.6 | Very high | 90.8 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -133.8 | 144.9 | 178.7 | -165.5 | 171.7 | 0 | 0 | 0 | 109.1 | L507 F511 L530 V531 E540 L541 | L507-I536 HydrophobicContact CD1-CB 4.02Å; L507-I536 HydrophobicContact CD2-CB 3.86Å; L507-I536 HydrophobicContact CD2-CD1 4Å; L507-I536 HydrophobicContact CD2-CG1 3.9Å; F511-I536 HydrophobicContact CZ-CD1 4.49Å; L530-I536 HydrophobicContact CB-CG2 3.79Å; L530-I536 PolarHBondContact O-N 3.34Å; V531-I536 WeakPolarHBondContact CA-O 3.25Å; V531-I536 HydrophobicContact CB-CG2 4.49Å; V531-I536 HydrophobicContact CG2-CG2 3.65Å; I536-E540 HydrophobicContact CD1-CB 4.05Å; I536-E540 HydrophobicContact CG1-CB 3.47Å; I536-E540 VanDerWaalsContact CG1-CB 3.47Å; I536-L541 HydrophobicContact CD1-CB 4.04Å; I536-L541 HydrophobicContact CD1-CD1 4.35Å; I536-L541 HydrophobicContact CG1-CB 4.39Å; I536-L541 HydrophobicContact CG2-CB 4.46Å |
| 537 | T | 94.5 | Very high | 90.5 | Very high | 33 Ų | 33 | 48.8 Ų | 48.8 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | trans | -83.5 | 164.2 | 172.3 | 68.1 | 0 | 0 | 0 | 0 | 110.7 | T539 E540 L541 | T537-T539 VanDerWaalsContact C-N 3.29Å; T537-T539 PolarHBondContact O-N 3.41Å; T537-T539 PolarHBondContact OG1-OG1 3.32Å; T537-E540 PolarHBondContact N-OE2 3.48Å; T537-E540 PolarHBondContact O-N 2.9Å; T537-E540 WeakPolarHBondContact OG1-CB 3.05Å; T537-E540 WeakPolarHBondContact OG1-CG 3.45Å; T537-E540 PolarHBondContact OG1-N 3.02Å; T537-E540 VanDerWaalsContact OG1-N 3.11Å; T537-E540 PolarHBondContact OG1-OE2 2.92Å; T537-L541 WeakPolarHBondContact O-CB 3.37Å; T537-L541 PolarHBondContact O-N 3.2Å | ||
| 538 | E | 92.3 | Very high | 90.2 | Very high | 150 Ų | 150 | 48.2 Ų | 48.2 | 70% | 0.701 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.8 | -40.7 | 174.6 | -68.8 | 174.1 | -174.1 | 0 | 0 | 112 | V531 E540 L541 S542 | V531-E538 HydrophobicContact CG1-CG 3.71Å; E538-E540 PolarHBondContact O-N 3.43Å; E538-L541 PolarHBondContact O-N 3.26Å; E538-S542 PolarHBondContact O-N 3.42Å |
| 539 | T | 92.4 | Very high | 89.9 | Confident | 74 Ų | 74 | 45.9 Ų | 45.9 | 45% | 0.454 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 176.8 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | T537 S542 I543 | T537-T539 VanDerWaalsContact C-N 3.29Å; T537-T539 PolarHBondContact O-N 3.41Å; T537-T539 PolarHBondContact OG1-OG1 3.32Å; T539-S542 PolarHBondContact O-OG 3.04Å; T539-I543 WeakPolarHBondContact O-CD1 3.22Å; T539-I543 VanDerWaalsContact O-CG1 3.28Å; T539-I543 WeakPolarHBondContact O-CG1 3.46Å; T539-I543 PolarHBondContact O-N 2.85Å |
| 540 | E | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.7 | -36.7 | 175.9 | -72.4 | 164 | 169.7 | 0 | 0 | 111.4 | P330 R503 Y504 I536 T537 E538 I543 F544 W564 | P330-E540 HydrophobicContact CB-CG 3.55Å; P330-E540 HydrophobicContact CG-CG 3.89Å; R503-E540 IonicContact CZ-OE1 3.81Å; R503-E540 IonicContact CZ-OE2 2.95Å; R503-E540 IonicContact NH1-OE1 2.7Å; R503-E540 IonicContact NH1-OE2 2.88Å; R503-E540 PolarHBondContact NH1-OE2 3.27Å; R503-E540 IonicContact NH2-OE1 3.42Å; R503-E540 PolarHBondContact NH2-OE1 2.79Å; R503-E540 IonicContact NH2-OE2 2.64Å; R503-E540 PolarHBondContact NH2-OE2 3.05Å; Y504-E540 WeakPolarHBondContact CE1-OE1 3.47Å; Y504-E540 VanDerWaalsContact CZ-OE1 3.31Å; Y504-E540 PolarHBondContact OH-OE1 3.35Å; I536-E540 HydrophobicContact CD1-CB 4.05Å; I536-E540 HydrophobicContact CG1-CB 3.47Å; I536-E540 VanDerWaalsContact CG1-CB 3.47Å; T537-E540 PolarHBondContact N-OE2 3.48Å; T537-E540 PolarHBondContact O-N 2.9Å; T537-E540 WeakPolarHBondContact OG1-CB 3.05Å; T537-E540 WeakPolarHBondContact OG1-CG 3.45Å; T537-E540 PolarHBondContact OG1-N 3.02Å; T537-E540 VanDerWaalsContact OG1-N 3.11Å; T537-E540 PolarHBondContact OG1-OE2 2.92Å; E538-E540 PolarHBondContact O-N 3.43Å; E540-I543 PolarHBondContact O-N 2.95Å; E540-F544 WeakPolarHBondContact O-CB 3.29Å; E540-F544 PolarHBondContact O-N 3.11Å; E540-W564 HydrophobicContact CB-CH2 4.48Å; E540-W564 HydrophobicContact CB-CZ3 4.26Å |
| 541 | L | 94.3 | Very high | 88.6 | Confident | 24 Ų | 24 | 49.9 Ų | 49.9 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 176.3 | 179.4 | 60.6 | 0 | 0 | 0 | 111.6 | M527 V531 I536 T537 E538 F544 S545 | M527-L541 HydrophobicContact CB-CD1 3.68Å; M527-L541 HydrophobicContact CB-CD2 4.06Å; M527-L541 HydrophobicContact CG-CD1 4.09Å; M527-L541 HydrophobicContact SD-CD1 4.48Å; V531-L541 HydrophobicContact CG2-CB 4.12Å; V531-L541 HydrophobicContact CG2-CD2 3.48Å; V531-L541 VanDerWaalsContact CG2-CD2 3.48Å; V531-L541 HydrophobicContact CG2-CG 4.4Å; I536-L541 HydrophobicContact CD1-CB 4.04Å; I536-L541 HydrophobicContact CD1-CD1 4.35Å; I536-L541 HydrophobicContact CG1-CB 4.39Å; I536-L541 HydrophobicContact CG2-CB 4.46Å; T537-L541 WeakPolarHBondContact O-CB 3.37Å; T537-L541 PolarHBondContact O-N 3.2Å; E538-L541 PolarHBondContact O-N 3.26Å; L541-F544 PolarHBondContact O-N 3.28Å; L541-S545 VanDerWaalsContact O-CB 3.29Å; L541-S545 WeakPolarHBondContact O-CB 3.36Å; L541-S545 PolarHBondContact O-N 3.44Å; L541-S545 PolarHBondContact O-OG 3.41Å |
| 542 | S | 92.5 | Very high | 87.3 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 48% | 0.483 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 176.1 | 66.3 | 0 | 0 | 0 | 0 | 111.3 | E538 T539 F544 S545 E546 | E538-S542 PolarHBondContact O-N 3.42Å; T539-S542 PolarHBondContact O-OG 3.04Å; S542-F544 VanDerWaalsContact C-N 3.34Å; S542-F544 PolarHBondContact O-N 3.43Å; S542-S545 PolarHBondContact O-N 2.66Å; S542-E546 WeakPolarHBondContact O-CB 3.11Å; S542-E546 PolarHBondContact O-N 3.13Å |
| 543 | I | 89.9 | Confident | 86.5 | Confident | 51 Ų | 51 | 55.6 Ų | 55.6 | 26% | 0.262 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 174.5 | -64.6 | 165.7 | 0 | 0 | 0 | 110.5 | P330 T539 E540 K547 W564 | P330-I543 HydrophobicContact CB-CD1 3.87Å; P330-I543 HydrophobicContact CG-CD1 4.19Å; T539-I543 WeakPolarHBondContact O-CD1 3.22Å; T539-I543 VanDerWaalsContact O-CG1 3.28Å; T539-I543 WeakPolarHBondContact O-CG1 3.46Å; T539-I543 PolarHBondContact O-N 2.85Å; E540-I543 PolarHBondContact O-N 2.95Å; I543-K547 VanDerWaalsContact O-CG 3.23Å; I543-K547 WeakPolarHBondContact O-CG 3.26Å; I543-K547 PolarHBondContact O-N 3.41Å; I543-W564 HydrophobicContact CG2-CZ2 4Å |
| 544 | F | 90.2 | Very high | 85.6 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 9% | 0.092 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 178 | -176.3 | -93.2 | 0 | 0 | 0 | 111.7 | F511 E540 L541 S542 K547 V548 M557 L560 W564 | F511-F544 HydrophobicContact CD2-CE2 4.41Å; F511-F544 HydrophobicContact CE2-CD2 4.13Å; F511-F544 AromaticContact CE2-CE2 3.58Å; F511-F544 HydrophobicContact CE2-CE2 3.58Å; F511-F544 AromaticContact CE2-CZ 3.9Å; F511-F544 HydrophobicContact CE2-CZ 3.9Å; F511-F544 HydrophobicContact CZ-CD2 4.23Å; F511-F544 HydrophobicContact CZ-CE1 4.3Å; F511-F544 AromaticContact CZ-CE2 3.9Å; F511-F544 HydrophobicContact CZ-CE2 3.9Å; F511-F544 AromaticContact CZ-CZ 3.94Å; F511-F544 HydrophobicContact CZ-CZ 3.94Å; E540-F544 WeakPolarHBondContact O-CB 3.29Å; E540-F544 PolarHBondContact O-N 3.11Å; L541-F544 PolarHBondContact O-N 3.28Å; S542-F544 VanDerWaalsContact C-N 3.34Å; S542-F544 PolarHBondContact O-N 3.43Å; F544-K547 PolarHBondContact O-N 3.47Å; F544-V548 HydrophobicContact CD1-CG2 3.92Å; F544-V548 HydrophobicContact CE1-CG2 3.51Å; F544-V548 HydrophobicContact CE2-CG2 4.4Å; F544-V548 HydrophobicContact CZ-CG2 3.77Å; F544-V548 WeakPolarHBondContact O-CG2 3.33Å; F544-V548 PolarHBondContact O-N 3.34Å; F544-M557 HydrophobicContact CE2-CB 3.96Å; F544-M557 HydrophobicContact CZ-CB 4.18Å; F544-L560 HydrophobicContact CD2-CD2 3.91Å; F544-L560 HydrophobicContact CE2-CD2 4.43Å; F544-W564 HydrophobicContact CB-CH2 4.18Å; F544-W564 HydrophobicContact CD2-CH2 4.49Å |
| 545 | S | 89 | Confident | 84.8 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -42.8 | -174 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | L541 S542 K547 V548 A549 | L541-S545 VanDerWaalsContact O-CB 3.29Å; L541-S545 WeakPolarHBondContact O-CB 3.36Å; L541-S545 PolarHBondContact O-N 3.44Å; L541-S545 PolarHBondContact O-OG 3.41Å; S542-S545 PolarHBondContact O-N 2.66Å; S545-K547 PolarHBondContact O-N 2.87Å; S545-V548 PolarHBondContact O-N 2.96Å; S545-A549 WeakPolarHBondContact O-CB 3.23Å; S545-A549 PolarHBondContact O-N 2.82Å |
| 546 | E | 88 | Confident | 84.3 | Confident | 114 Ų | 114 | 65.6 Ų | 65.6 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -54.4 | -41.6 | 173.2 | -173.8 | -155.2 | 126.8 | 0 | 0 | 110.7 | S542 T550 | S542-E546 WeakPolarHBondContact O-CB 3.11Å; S542-E546 PolarHBondContact O-N 3.13Å; E546-T550 PolarHBondContact O-N 2.97Å; E546-T550 VanDerWaalsContact O-N 3.13Å; E546-T550 PolarHBondContact O-OG1 3.01Å |
| 547 | K | 80 | Confident | 83.9 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -76.2 | -40.9 | -178.9 | -63.4 | -61 | 174.8 | -136.5 | 0 | 113.1 | Y325 I543 F544 S545 A549 T550 Y551 M557 | Y325-K547 HydrophobicContact CE1-CG 4.4Å; Y325-K547 WeakPolarHBondContact OH-CB 3.25Å; Y325-K547 VanDerWaalsContact OH-CG 3.25Å; Y325-K547 WeakPolarHBondContact OH-CG 3.38Å; I543-K547 VanDerWaalsContact O-CG 3.23Å; I543-K547 WeakPolarHBondContact O-CG 3.26Å; I543-K547 PolarHBondContact O-N 3.41Å; F544-K547 PolarHBondContact O-N 3.47Å; S545-K547 PolarHBondContact O-N 2.87Å; K547-A549 VanDerWaalsContact C-N 3.26Å; K547-A549 PolarHBondContact O-N 3.32Å; K547-T550 WeakPolarHBondContact O-CB 3.18Å; K547-T550 PolarHBondContact O-N 3.1Å; K547-T550 VanDerWaalsContact O-N 3.11Å; K547-Y551 WeakPolarHBondContact O-CD2 3.42Å; K547-Y551 PolarHBondContact O-N 2.62Å; K547-M557 HydrophobicContact CB-CE 4.41Å; K547-M557 HydrophobicContact CB-SD 4.25Å; K547-M557 WeakPolarHBondContact O-CE 3.49Å |
| 548 | V | 79.7 | Confident | 83.7 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | F544 S545 T550 Y551 D552 M557 | F544-V548 HydrophobicContact CD1-CG2 3.92Å; F544-V548 HydrophobicContact CE1-CG2 3.51Å; F544-V548 HydrophobicContact CE2-CG2 4.4Å; F544-V548 HydrophobicContact CZ-CG2 3.77Å; F544-V548 WeakPolarHBondContact O-CG2 3.33Å; F544-V548 PolarHBondContact O-N 3.34Å; S545-V548 PolarHBondContact O-N 2.96Å; V548-T550 VanDerWaalsContact C-N 3.29Å; V548-T550 PolarHBondContact O-N 3.07Å; V548-Y551 PolarHBondContact O-N 2.88Å; V548-D552 PolarHBondContact O-N 3.23Å; V548-M557 HydrophobicContact CG2-CB 4.39Å; V548-M557 HydrophobicContact CG2-CG 4.33Å; V548-M557 HydrophobicContact CG2-SD 3.87Å |
| 549 | A | 82.5 | Confident | 83.6 | Confident | 75 Ų | 75 | 57.4 Ų | 57.4 | 62% | 0.62 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -61.9 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S545 K547 Y551 D552 | S545-A549 WeakPolarHBondContact O-CB 3.23Å; S545-A549 PolarHBondContact O-N 2.82Å; K547-A549 VanDerWaalsContact C-N 3.26Å; K547-A549 PolarHBondContact O-N 3.32Å; A549-Y551 VanDerWaalsContact C-N 3.27Å; A549-Y551 PolarHBondContact O-N 2.76Å; A549-D552 PolarHBondContact O-N 2.76Å |
| 550 | T | 80 | Confident | 83.6 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 52% | 0.515 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.8 | -32 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | E546 K547 V548 | E546-T550 PolarHBondContact O-N 2.97Å; E546-T550 VanDerWaalsContact O-N 3.13Å; E546-T550 PolarHBondContact O-OG1 3.01Å; K547-T550 WeakPolarHBondContact O-CB 3.18Å; K547-T550 PolarHBondContact O-N 3.1Å; K547-T550 VanDerWaalsContact O-N 3.11Å; V548-T550 VanDerWaalsContact C-N 3.29Å; V548-T550 PolarHBondContact O-N 3.07Å |
| 551 | Y | 73 | Confident | 83.6 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 11.1 | -176.5 | -56.3 | -87.5 | 0 | 0 | 0 | 113.6 | L320 D324 K547 V548 A549 D553 K554 V555 M557 | L320-Y551 HydrophobicContact CD2-CE1 3.63Å; L320-Y551 HydrophobicContact CD2-CE2 3.97Å; L320-Y551 WeakPolarHBondContact CD2-OH 3.45Å; D324-Y551 PolarHBondContact OD2-OH 3.47Å; K547-Y551 WeakPolarHBondContact O-CD2 3.42Å; K547-Y551 PolarHBondContact O-N 2.62Å; V548-Y551 PolarHBondContact O-N 2.88Å; A549-Y551 VanDerWaalsContact C-N 3.27Å; A549-Y551 PolarHBondContact O-N 2.76Å; Y551-D553 VanDerWaalsContact C-N 3.34Å; Y551-D553 PolarHBondContact O-N 3.04Å; Y551-K554 WeakPolarHBondContact O-CB 3.41Å; Y551-K554 VanDerWaalsContact O-CG 3.25Å; Y551-K554 WeakPolarHBondContact O-CG 3.26Å; Y551-K554 PolarHBondContact O-N 3.16Å; Y551-V555 HydrophobicContact CG-CG2 4.39Å; Y551-M557 HydrophobicContact CD2-CE 3.24Å; Y551-M557 HydrophobicContact CE2-CE 3.84Å; Y551-M557 HydrophobicContact CG-CE 4.04Å |
| 552 | D | 66.4 | Low | 83.7 | Confident | 119 Ų | 119 | 52.7 Ų | 52.7 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 51.3 | 169.6 | -167.1 | 38.9 | 0 | 0 | 0 | 113.2 | V548 A549 K554 | V548-D552 PolarHBondContact O-N 3.23Å; A549-D552 PolarHBondContact O-N 2.76Å; D552-K554 PolarHBondContact O-N 2.95Å |
| 553 | D | 67.7 | Low | 83.8 | Confident | 137 Ų | 137 | 49.4 Ų | 49.4 | 73% | 0.733 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 4.9 | -177.7 | -64.6 | -33.9 | 0 | 0 | 0 | 116.8 | Y551 V555 | Y551-D553 VanDerWaalsContact C-N 3.34Å; Y551-D553 PolarHBondContact O-N 3.04Å; D553-V555 PolarHBondContact O-N 3.4Å |
| 554 | K | 69.5 | Low | 84.1 | Confident | 135 Ų | 135 | 47.1 Ų | 47.1 | 59% | 0.587 | 25% | 0.248 | S | C | * | . | trans | -66.7 | -24.9 | 179.1 | -62.3 | 172 | -173.1 | 172 | 0 | 113 | Y551 D552 | Y551-K554 WeakPolarHBondContact O-CB 3.41Å; Y551-K554 VanDerWaalsContact O-CG 3.25Å; Y551-K554 WeakPolarHBondContact O-CG 3.26Å; Y551-K554 PolarHBondContact O-N 3.16Å; D552-K554 PolarHBondContact O-N 2.95Å | ||
| 555 | V | 73.9 | Confident | 84.5 | Confident | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -117.6 | 115.4 | -176.8 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | Q316 V317 L320 Y551 D553 M557 W559 | Q316-V555 HydrophobicContact CB-CG2 4.42Å; V317-V555 HydrophobicContact CG2-CG1 3.87Å; L320-V555 HydrophobicContact CD1-CG1 3.97Å; L320-V555 HydrophobicContact CD1-CG2 4.17Å; Y551-V555 HydrophobicContact CG-CG2 4.39Å; D553-V555 PolarHBondContact O-N 3.4Å; V555-M557 HydrophobicContact CB-CE 4.32Å; V555-M557 HydrophobicContact CB-CG 4.41Å; V555-M557 HydrophobicContact CG1-CE 4.49Å; V555-M557 HydrophobicContact CG1-CG 4.09Å; V555-M557 WeakPolarHBondContact O-CG 2.83Å; V555-M557 PolarHBondContact O-N 3Å; V555-W559 HydrophobicContact CG1-CZ2 4.37Å |
| 556 | Y | 84.4 | Confident | 84.9 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.225 | S | C | . | . | trans | -73.4 | 101.1 | 172.5 | -176.5 | -148.3 | 0 | 0 | 0 | 111 | V512 F558 W559 | V512-Y556 WeakPolarHBondContact CA-OH 3.32Å; Y556-F558 VanDerWaalsContact C-N 3.33Å; Y556-F558 AromaticContact CD1-CD1 3.36Å; Y556-F558 HydrophobicContact CD1-CD1 3.36Å; Y556-F558 AromaticContact CD1-CE1 3.83Å; Y556-F558 HydrophobicContact CD1-CE1 3.83Å; Y556-F558 HydrophobicContact CD1-CG 4.42Å; Y556-F558 HydrophobicContact CD2-CD1 4.36Å; Y556-F558 HydrophobicContact CE1-CB 4.26Å; Y556-F558 AromaticContact CE1-CD1 3.38Å; Y556-F558 HydrophobicContact CE1-CD1 3.38Å; Y556-F558 HydrophobicContact CE1-CE1 4.03Å; Y556-F558 HydrophobicContact CE1-CG 4.09Å; Y556-F558 HydrophobicContact CE2-CB 4.08Å; Y556-F558 HydrophobicContact CE2-CD1 4.37Å; Y556-F558 AromaticContact CG-CD1 3.87Å; Y556-F558 HydrophobicContact CG-CD1 3.87Å; Y556-F558 AromaticContact CZ-CD1 3.91Å; Y556-F558 PolarHBondContact O-N 2.92Å; Y556-W559 PolarHBondContact O-NE1 2.68Å | ||
| 557 | M | 87 | Confident | 85.2 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.03 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -86.7 | 23 | -167.5 | -64.7 | -160.2 | 178 | 0 | 0 | 115.9 | F544 K547 V548 Y551 V555 W559 L560 | F544-M557 HydrophobicContact CE2-CB 3.96Å; F544-M557 HydrophobicContact CZ-CB 4.18Å; K547-M557 HydrophobicContact CB-CE 4.41Å; K547-M557 HydrophobicContact CB-SD 4.25Å; K547-M557 WeakPolarHBondContact O-CE 3.49Å; V548-M557 HydrophobicContact CG2-CB 4.39Å; V548-M557 HydrophobicContact CG2-CG 4.33Å; V548-M557 HydrophobicContact CG2-SD 3.87Å; Y551-M557 HydrophobicContact CD2-CE 3.24Å; Y551-M557 HydrophobicContact CE2-CE 3.84Å; Y551-M557 HydrophobicContact CG-CE 4.04Å; V555-M557 HydrophobicContact CB-CE 4.32Å; V555-M557 HydrophobicContact CB-CG 4.41Å; V555-M557 HydrophobicContact CG1-CE 4.49Å; V555-M557 HydrophobicContact CG1-CG 4.09Å; V555-M557 WeakPolarHBondContact O-CG 2.83Å; V555-M557 PolarHBondContact O-N 3Å; M557-W559 PolarHBondContact O-N 3.49Å; M557-L560 WeakPolarHBondContact O-CB 3.29Å; M557-L560 PolarHBondContact O-N 2.91Å; M557-L560 VanDerWaalsContact O-N 3.1Å; M557-L560 HydrophobicContact SD-CD2 4.35Å |
| 558 | F | 90.1 | Very high | 86 | Confident | 7 Ų | 7 | 35.9 Ų | 35.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -56.2 | -26.9 | 178.3 | 74.7 | -89.1 | 0 | 0 | 0 | 113.2 | S508 F511 V512 Y556 L560 P561 I598 | S508-F558 WeakPolarHBondContact CB-O 3.31Å; S508-F558 PolarHBondContact OG-O 3.45Å; F511-F558 HydrophobicContact CB-CB 4.11Å; V512-F558 HydrophobicContact CG2-CB 3.74Å; V512-F558 HydrophobicContact CG2-CD1 4.41Å; V512-F558 HydrophobicContact CG2-CD2 3.64Å; V512-F558 HydrophobicContact CG2-CE2 4.4Å; V512-F558 HydrophobicContact CG2-CG 3.66Å; Y556-F558 VanDerWaalsContact C-N 3.33Å; Y556-F558 AromaticContact CD1-CD1 3.36Å; Y556-F558 HydrophobicContact CD1-CD1 3.36Å; Y556-F558 AromaticContact CD1-CE1 3.83Å; Y556-F558 HydrophobicContact CD1-CE1 3.83Å; Y556-F558 HydrophobicContact CD1-CG 4.42Å; Y556-F558 HydrophobicContact CD2-CD1 4.36Å; Y556-F558 HydrophobicContact CE1-CB 4.26Å; Y556-F558 AromaticContact CE1-CD1 3.38Å; Y556-F558 HydrophobicContact CE1-CD1 3.38Å; Y556-F558 HydrophobicContact CE1-CE1 4.03Å; Y556-F558 HydrophobicContact CE1-CG 4.09Å; Y556-F558 HydrophobicContact CE2-CB 4.08Å; Y556-F558 HydrophobicContact CE2-CD1 4.37Å; Y556-F558 AromaticContact CG-CD1 3.87Å; Y556-F558 HydrophobicContact CG-CD1 3.87Å; Y556-F558 AromaticContact CZ-CD1 3.91Å; Y556-F558 PolarHBondContact O-N 2.92Å; F558-L560 VanDerWaalsContact C-N 3.35Å; F558-P561 WeakPolarHBondContact O-CD 3.39Å; F558-I598 HydrophobicContact CD2-CD1 3.66Å; F558-I598 HydrophobicContact CD2-CG1 4.09Å; F558-I598 HydrophobicContact CE2-CD1 3.79Å; F558-I598 HydrophobicContact CE2-CG1 3.79Å |
| 559 | W | 90.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -76.7 | -16.2 | -176.9 | 57.4 | -95.8 | 0 | 0 | 0 | 114 | V317 L320 M321 Y325 V555 Y556 M557 L562 Q563 | V317-W559 HydrophobicContact CG1-CZ2 4.21Å; L320-W559 HydrophobicContact CB-CH2 3.93Å; L320-W559 HydrophobicContact CB-CZ2 4.26Å; L320-W559 HydrophobicContact CD1-CH2 4.38Å; L320-W559 HydrophobicContact CD1-CZ2 3.97Å; M321-W559 HydrophobicContact CE-CB 4.14Å; M321-W559 HydrophobicContact CE-CD2 3.41Å; M321-W559 VanDerWaalsContact CE-CD2 3.41Å; M321-W559 HydrophobicContact CE-CE3 3.2Å; M321-W559 HydrophobicContact CE-CG 3.83Å; M321-W559 HydrophobicContact CE-CH2 4.43Å; M321-W559 HydrophobicContact CE-CZ3 3.77Å; M321-W559 HydrophobicContact CG-CE3 4.13Å; M321-W559 HydrophobicContact CG-CH2 4.01Å; M321-W559 HydrophobicContact CG-CZ3 3.68Å; Y325-W559 AromaticContact CD2-CH2 3.7Å; Y325-W559 HydrophobicContact CD2-CH2 3.7Å; Y325-W559 HydrophobicContact CD2-CZ3 4.09Å; Y325-W559 AromaticContact CE2-CH2 3.75Å; Y325-W559 HydrophobicContact CE2-CH2 3.75Å; Y325-W559 HydrophobicContact CE2-CZ3 4.42Å; V555-W559 HydrophobicContact CG1-CZ2 4.37Å; Y556-W559 PolarHBondContact O-NE1 2.68Å; M557-W559 PolarHBondContact O-N 3.49Å; W559-L562 WeakPolarHBondContact O-CB 3.45Å; W559-L562 PolarHBondContact O-N 3.48Å; W559-Q563 HydrophobicContact CE3-CB 4.1Å; W559-Q563 HydrophobicContact CZ3-CB 4.09Å; W559-Q563 HydrophobicContact CZ3-CG 4.42Å; W559-Q563 PolarHBondContact O-N 3.25Å; W559-Q563 VanDerWaalsContact O-N 3.1Å |
| 560 | L | 92.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | -171.7 | 179.6 | 57.2 | 0 | 0 | 0 | 113.4 | Y325 F544 M557 F558 L562 Q563 W564 | Y325-L560 HydrophobicContact CD1-CD1 3.61Å; Y325-L560 HydrophobicContact CD2-CD1 4.28Å; Y325-L560 HydrophobicContact CE1-CD1 3.43Å; Y325-L560 VanDerWaalsContact CE1-CD1 3.43Å; Y325-L560 HydrophobicContact CE1-CD2 4.2Å; Y325-L560 HydrophobicContact CE1-CG 4.48Å; Y325-L560 HydrophobicContact CE2-CD1 4.14Å; Y325-L560 HydrophobicContact CG-CD1 4.03Å; F544-L560 HydrophobicContact CD2-CD2 3.91Å; F544-L560 HydrophobicContact CE2-CD2 4.43Å; M557-L560 WeakPolarHBondContact O-CB 3.29Å; M557-L560 PolarHBondContact O-N 2.91Å; M557-L560 VanDerWaalsContact O-N 3.1Å; M557-L560 HydrophobicContact SD-CD2 4.35Å; F558-L560 VanDerWaalsContact C-N 3.35Å; L560-L562 PolarHBondContact O-N 2.58Å; L560-Q563 WeakPolarHBondContact O-CB 3.32Å; L560-Q563 PolarHBondContact O-N 2.78Å; L560-Q563 VanDerWaalsContact O-N 3.07Å; L560-W564 HydrophobicContact CD1-CZ2 4.28Å; L560-W564 HydrophobicContact CD2-CH2 4.37Å; L560-W564 HydrophobicContact CD2-CZ2 3.68Å; L560-W564 HydrophobicContact CG-CD2 4.35Å; L560-W564 HydrophobicContact CG-CH2 4.36Å; L560-W564 HydrophobicContact CG-CZ2 3.66Å; L560-W564 PolarHBondContact O-N 3Å |
| 561 | P | 96 | Very high | 88 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.7 | -30.9 | 174 | -23.1 | 33.5 | 0 | 0 | 0 | 114 | Y504 L507 F511 F558 W564 A565 | Y504-P561 WeakPolarHBondContact CB-O 3.16Å; Y504-P561 HydrophobicContact CG-CB 4.45Å; L507-P561 HydrophobicContact CD2-CB 4.06Å; L507-P561 HydrophobicContact CD2-CG 3.82Å; L507-P561 HydrophobicContact CG-CB 4.34Å; L507-P561 HydrophobicContact CG-CG 3.98Å; F511-P561 HydrophobicContact CD2-CG 4.1Å; F511-P561 HydrophobicContact CE2-CG 3.58Å; F558-P561 WeakPolarHBondContact O-CD 3.39Å; P561-W564 HydrophobicContact CB-CE3 4.13Å; P561-W564 HydrophobicContact CG-CE3 4.39Å; P561-W564 HydrophobicContact CG-CZ3 4.33Å; P561-W564 WeakPolarHBondContact O-CB 3.37Å; P561-W564 PolarHBondContact O-N 2.97Å; P561-A565 WeakPolarHBondContact O-CB 3.43Å; P561-A565 PolarHBondContact O-N 3.42Å |
| 562 | L | 96.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.5 | -35 | 175.2 | -61.1 | 178.6 | 0 | 0 | 0 | 111.5 | I505 S508 W559 L560 W564 A565 C566 I591 R595 I598 | I505-L562 HydrophobicContact CG1-CD2 4.13Å; S508-L562 WeakPolarHBondContact OG-CD1 3.47Å; S508-L562 WeakPolarHBondContact OG-CG 3.36Å; W559-L562 WeakPolarHBondContact O-CB 3.45Å; W559-L562 PolarHBondContact O-N 3.48Å; L560-L562 PolarHBondContact O-N 2.58Å; L562-W564 VanDerWaalsContact C-N 3.33Å; L562-A565 WeakPolarHBondContact O-CB 3.44Å; L562-A565 PolarHBondContact O-N 3.29Å; L562-C566 PolarHBondContact O-N 2.88Å; L562-C566 PolarHBondContact O-SG 2.98Å; L562-I591 HydrophobicContact CB-CG2 4.22Å; L562-I591 HydrophobicContact CD2-CG2 4.11Å; L562-R595 HydrophobicContact CD1-CB 3.52Å; L562-R595 HydrophobicContact CD1-CG 3.82Å; L562-I598 HydrophobicContact CD1-CD1 3.53Å; L562-I598 HydrophobicContact CD1-CG1 4.45Å |
| 563 | Q | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 170 | -176.9 | 63.8 | 62.6 | 0 | 0 | 110.9 | W559 L560 A565 C566 N567 | W559-Q563 HydrophobicContact CE3-CB 4.1Å; W559-Q563 HydrophobicContact CZ3-CB 4.09Å; W559-Q563 HydrophobicContact CZ3-CG 4.42Å; W559-Q563 PolarHBondContact O-N 3.25Å; W559-Q563 VanDerWaalsContact O-N 3.1Å; L560-Q563 WeakPolarHBondContact O-CB 3.32Å; L560-Q563 PolarHBondContact O-N 2.78Å; L560-Q563 VanDerWaalsContact O-N 3.07Å; Q563-A565 VanDerWaalsContact C-N 3.31Å; Q563-A565 PolarHBondContact O-N 2.92Å; Q563-C566 PolarHBondContact O-N 2.89Å; Q563-N567 PolarHBondContact NE2-OD1 3.36Å; Q563-N567 WeakPolarHBondContact O-CB 3.44Å; Q563-N567 VanDerWaalsContact O-CG 3.26Å; Q563-N567 PolarHBondContact O-N 2.92Å |
| 564 | W | 96.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.6 | -41 | 172.5 | -60.8 | -25 | 0 | 0 | 0 | 112 | I329 P330 Y504 E540 I543 F544 L560 P561 L562 N567 L568 | I329-W564 WeakPolarHBondContact CG2-O 3.42Å; P330-W564 HydrophobicContact CG-CD2 3.59Å; P330-W564 HydrophobicContact CG-CE3 3.8Å; P330-W564 HydrophobicContact CG-CG 4.05Å; P330-W564 HydrophobicContact CG-CH2 4.16Å; P330-W564 HydrophobicContact CG-CZ2 3.97Å; P330-W564 HydrophobicContact CG-CZ3 4.09Å; Y504-W564 HydrophobicContact CD1-CE3 4.41Å; Y504-W564 HydrophobicContact CD2-CB 3.81Å; Y504-W564 HydrophobicContact CE1-CE3 4.01Å; Y504-W564 HydrophobicContact CE2-CB 3.56Å; Y504-W564 HydrophobicContact CE2-CE3 4.44Å; E540-W564 HydrophobicContact CB-CH2 4.48Å; E540-W564 HydrophobicContact CB-CZ3 4.26Å; I543-W564 HydrophobicContact CG2-CZ2 4Å; F544-W564 HydrophobicContact CB-CH2 4.18Å; F544-W564 HydrophobicContact CD2-CH2 4.49Å; L560-W564 HydrophobicContact CD1-CZ2 4.28Å; L560-W564 HydrophobicContact CD2-CH2 4.37Å; L560-W564 HydrophobicContact CD2-CZ2 3.68Å; L560-W564 HydrophobicContact CG-CD2 4.35Å; L560-W564 HydrophobicContact CG-CH2 4.36Å; L560-W564 HydrophobicContact CG-CZ2 3.66Å; L560-W564 PolarHBondContact O-N 3Å; P561-W564 HydrophobicContact CB-CE3 4.13Å; P561-W564 HydrophobicContact CG-CE3 4.39Å; P561-W564 HydrophobicContact CG-CZ3 4.33Å; P561-W564 WeakPolarHBondContact O-CB 3.37Å; P561-W564 PolarHBondContact O-N 2.97Å; L562-W564 VanDerWaalsContact C-N 3.33Å; W564-N567 PolarHBondContact O-N 3Å; W564-L568 VanDerWaalsContact O-CB 3.26Å; W564-L568 WeakPolarHBondContact O-CB 3.37Å; W564-L568 PolarHBondContact O-N 3.37Å |
| 565 | A | 97.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L501 Y504 P561 L562 Q563 N567 L568 V569 I591 | L501-A565 HydrophobicContact CD2-CB 3.98Å; L501-A565 WeakPolarHBondContact CD2-O 3.41Å; Y504-A565 HydrophobicContact CD2-CB 4.14Å; P561-A565 WeakPolarHBondContact O-CB 3.43Å; P561-A565 PolarHBondContact O-N 3.42Å; L562-A565 WeakPolarHBondContact O-CB 3.44Å; L562-A565 PolarHBondContact O-N 3.29Å; Q563-A565 VanDerWaalsContact C-N 3.31Å; Q563-A565 PolarHBondContact O-N 2.92Å; A565-N567 PolarHBondContact O-N 2.86Å; A565-L568 WeakPolarHBondContact O-CB 3.46Å; A565-L568 PolarHBondContact O-N 2.92Å; A565-V569 WeakPolarHBondContact O-CG2 3.25Å; A565-V569 PolarHBondContact O-N 3.27Å; A565-I591 HydrophobicContact CB-CD1 4.1Å; A565-I591 HydrophobicContact CB-CG2 4.36Å |
| 566 | C | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -47.3 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 111.9 | I108 I112 L562 Q563 L568 V569 T570 M588 | I108-C566 HydrophobicContact CG2-CB 3.85Å; I108-C566 WeakPolarHBondContact CG2-SG 3.46Å; I112-C566 HydrophobicContact CG2-CB 4.17Å; L562-C566 PolarHBondContact O-N 2.88Å; L562-C566 PolarHBondContact O-SG 2.98Å; Q563-C566 PolarHBondContact O-N 2.89Å; C566-L568 VanDerWaalsContact C-N 3.28Å; C566-L568 PolarHBondContact O-N 2.89Å; C566-V569 PolarHBondContact O-N 3.13Å; C566-T570 PolarHBondContact O-N 3.47Å; C566-T570 PolarHBondContact O-OG1 2.74Å; C566-M588 HydrophobicContact CB-CE 4.04Å; C566-M588 HydrophobicContact CB-SD 3.7Å; C566-M588 PolarHBondContact SG-SD 2.79Å |
| 567 | N | 95.5 | Very high | 94.3 | Very high | 9 Ų | 9 | 29.2 Ų | 29.2 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.3 | -35.5 | 177.4 | -67.5 | -14 | 0 | 0 | 0 | 111.7 | Y325 K328 I329 Q563 W564 A565 T570 K571 | Y325-N567 PolarHBondContact O-ND2 2.77Å; K328-N567 PolarHBondContact N-ND2 3.03Å; K328-N567 PolarHBondContact O-ND2 3.18Å; I329-N567 HydrophobicContact CG2-CB 3.33Å; Q563-N567 PolarHBondContact NE2-OD1 3.36Å; Q563-N567 WeakPolarHBondContact O-CB 3.44Å; Q563-N567 VanDerWaalsContact O-CG 3.26Å; Q563-N567 PolarHBondContact O-N 2.92Å; W564-N567 PolarHBondContact O-N 3Å; A565-N567 PolarHBondContact O-N 2.86Å; N567-T570 PolarHBondContact O-N 2.92Å; N567-K571 PolarHBondContact O-N 3.41Å |
| 568 | L | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.9 | -38.4 | 175.4 | 179.9 | 57.8 | 0 | 0 | 0 | 112.1 | I329 L332 I497 T500 L501 W564 A565 C566 K571 A572 | I329-L568 HydrophobicContact CD1-CD1 4.15Å; I329-L568 HydrophobicContact CG2-CB 4.35Å; L332-L568 HydrophobicContact CD1-CD1 3.65Å; L332-L568 HydrophobicContact CD2-CD1 3.98Å; L332-L568 HydrophobicContact CD2-CD2 4.01Å; L332-L568 HydrophobicContact CG-CD1 4.37Å; I497-L568 HydrophobicContact CG1-CD1 4.32Å; I497-L568 HydrophobicContact CG2-CD1 4.37Å; I497-L568 HydrophobicContact CG2-CD2 4.45Å; I497-L568 HydrophobicContact CG2-CG 4.2Å; T500-L568 HydrophobicContact CG2-CD2 3.67Å; L501-L568 HydrophobicContact CD2-CB 4.05Å; L501-L568 HydrophobicContact CD2-CD2 3.86Å; L501-L568 HydrophobicContact CD2-CG 4.01Å; L501-L568 HydrophobicContact CG-CD2 3.91Å; L501-L568 HydrophobicContact CG-CG 4.32Å; W564-L568 VanDerWaalsContact O-CB 3.26Å; W564-L568 WeakPolarHBondContact O-CB 3.37Å; W564-L568 PolarHBondContact O-N 3.37Å; A565-L568 WeakPolarHBondContact O-CB 3.46Å; A565-L568 PolarHBondContact O-N 2.92Å; C566-L568 VanDerWaalsContact C-N 3.28Å; C566-L568 PolarHBondContact O-N 2.89Å; L568-K571 PolarHBondContact O-N 3.34Å; L568-A572 WeakPolarHBondContact O-CB 3.48Å; L568-A572 PolarHBondContact O-N 2.93Å |
| 569 | V | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.5 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | L501 A565 C566 K571 A572 K573 I578 Y584 V587 M588 I591 | L501-V569 HydrophobicContact CD1-CG2 4.03Å; L501-V569 HydrophobicContact CD2-CG2 3.6Å; L501-V569 HydrophobicContact CG-CG2 4.5Å; A565-V569 WeakPolarHBondContact O-CG2 3.25Å; A565-V569 PolarHBondContact O-N 3.27Å; C566-V569 PolarHBondContact O-N 3.13Å; V569-K571 VanDerWaalsContact C-N 3.31Å; V569-K571 PolarHBondContact O-N 3.22Å; V569-A572 PolarHBondContact O-N 3.24Å; V569-K573 PolarHBondContact O-N 3.35Å; V569-I578 HydrophobicContact CG1-CD1 3.73Å; V569-Y584 HydrophobicContact CB-CE2 4.47Å; V569-Y584 HydrophobicContact CG1-CD2 3.6Å; V569-Y584 HydrophobicContact CG1-CE2 3.69Å; V569-V587 HydrophobicContact CG1-CB 4.19Å; V569-V587 HydrophobicContact CG1-CG1 4.03Å; V569-V587 HydrophobicContact CG2-CG1 3.64Å; V569-M588 HydrophobicContact CB-CE 4.07Å; V569-M588 HydrophobicContact CG1-CE 4.12Å; V569-I591 HydrophobicContact CG2-CD1 3.71Å |
| 570 | T | 93.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 36 Ų | 36 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -41.1 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | C566 N567 K573 K574 Y584 | C566-T570 PolarHBondContact O-N 3.47Å; C566-T570 PolarHBondContact O-OG1 2.74Å; N567-T570 PolarHBondContact O-N 2.92Å; T570-K573 PolarHBondContact O-N 3Å; T570-K574 WeakPolarHBondContact O-CG 3.46Å; T570-K574 PolarHBondContact O-N 2.91Å; T570-K574 VanDerWaalsContact O-N 3.12Å; T570-Y584 PolarHBondContact OG1-OH 2.73Å |
| 571 | K | 93.9 | Very high | 94.7 | Very high | 86 Ų | 86 | 38.6 Ų | 38.6 | 37% | 0.374 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 174.6 | -170.4 | 174.9 | -177 | 169.3 | 0 | 112 | I329 N567 L568 V569 K573 K574 E575 | I329-K571 HydrophobicContact CD1-CD 3.38Å; N567-K571 PolarHBondContact O-N 3.41Å; L568-K571 PolarHBondContact O-N 3.34Å; V569-K571 VanDerWaalsContact C-N 3.31Å; V569-K571 PolarHBondContact O-N 3.22Å; K571-K573 VanDerWaalsContact C-N 3.28Å; K571-K573 PolarHBondContact O-N 3.43Å; K571-K574 PolarHBondContact O-N 3.15Å; K571-K574 VanDerWaalsContact O-N 3.13Å; K571-E575 WeakPolarHBondContact CE-OE1 3.45Å; K571-E575 WeakPolarHBondContact CG-OE1 3.46Å; K571-E575 WeakPolarHBondContact O-CG 3.48Å; K571-E575 PolarHBondContact O-N 2.87Å |
| 572 | A | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I487 I497 L568 V569 E575 E576 R577 I578 | I487-A572 HydrophobicContact CD1-CB 4.39Å; I497-A572 HydrophobicContact CD1-CB 4.3Å; I497-A572 HydrophobicContact CG2-CB 4.07Å; L568-A572 WeakPolarHBondContact O-CB 3.48Å; L568-A572 PolarHBondContact O-N 2.93Å; V569-A572 PolarHBondContact O-N 3.24Å; A572-E575 CarbonylContact O-C 2.79Å; A572-E575 PolarHBondContact O-N 3.27Å; A572-E576 PolarHBondContact O-N 3.09Å; A572-R577 HydrophobicContact CB-CB 4.41Å; A572-R577 WeakPolarHBondContact O-CB 3.35Å; A572-R577 PolarHBondContact O-N 3.37Å; A572-I578 HydrophobicContact CB-CD1 4.18Å; A572-I578 HydrophobicContact CB-CG1 4.34Å |
| 573 | K | 94.2 | Very high | 94.3 | Very high | 54 Ų | 54 | 44.7 Ų | 44.7 | 24% | 0.235 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.4 | -42.9 | 172.8 | 179.9 | 57.4 | -178.8 | 164.1 | 0 | 111.9 | V569 T570 K571 E575 E576 I578 E579 D581 Y584 | V569-K573 PolarHBondContact O-N 3.35Å; T570-K573 PolarHBondContact O-N 3Å; K571-K573 VanDerWaalsContact C-N 3.28Å; K571-K573 PolarHBondContact O-N 3.43Å; K573-E575 VanDerWaalsContact C-N 3.31Å; K573-E575 PolarHBondContact O-N 3.49Å; K573-E576 PolarHBondContact O-N 3.42Å; K573-E576 VanDerWaalsContact O-N 3.07Å; K573-I578 HydrophobicContact CB-CB 4.4Å; K573-I578 HydrophobicContact CB-CD1 4.3Å; K573-I578 HydrophobicContact CD-CB 3.93Å; K573-I578 HydrophobicContact CD-CG2 4.29Å; K573-I578 VanDerWaalsContact CD-O 3.22Å; K573-I578 WeakPolarHBondContact CD-O 3.33Å; K573-I578 PolarHBondContact NZ-O 3.17Å; K573-E579 PolarHBondContact NZ-O 3.15Å; K573-D581 WeakPolarHBondContact CE-OD1 3.44Å; K573-D581 IonicContact NZ-OD1 2.73Å; K573-Y584 HydrophobicContact CB-CD2 3.9Å; K573-Y584 HydrophobicContact CB-CE2 4.3Å; K573-Y584 HydrophobicContact CG-CD2 4.27Å; K573-Y584 HydrophobicContact CG-CG 4.45Å |
| 574 | K | 91.4 | Very high | 94.3 | Very high | 151 Ų | 151 | 45 Ų | 45 | 66% | 0.657 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.6 | -31 | 175.6 | -68.7 | -179.9 | 179.8 | -175.2 | 0 | 113 | T570 K571 E576 | T570-K574 WeakPolarHBondContact O-CG 3.46Å; T570-K574 PolarHBondContact O-N 2.91Å; T570-K574 VanDerWaalsContact O-N 3.12Å; K571-K574 PolarHBondContact O-N 3.15Å; K571-K574 VanDerWaalsContact O-N 3.13Å; K574-E576 PolarHBondContact O-N 3.01Å |
| 575 | E | 94.5 | Very high | 93.9 | Very high | 65 Ų | 65 | 46.6 Ų | 46.6 | 30% | 0.304 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 10.6 | 171.6 | -67.6 | 177 | -157.9 | 0 | 0 | 112.7 | R493 K571 A572 K573 R577 | R493-E575 IonicContact CZ-OE1 2.82Å; R493-E575 IonicContact CZ-OE2 3.49Å; R493-E575 IonicContact NE-OE1 2.75Å; R493-E575 IonicContact NE-OE2 3.16Å; R493-E575 PolarHBondContact NE-OE2 3.01Å; R493-E575 VanDerWaalsContact NE-OE2 3.09Å; R493-E575 IonicContact NH2-OE1 3.51Å; R493-E575 PolarHBondContact NH2-OE1 3.39Å; R493-E575 IonicContact NH2-OE2 3.68Å; K571-E575 WeakPolarHBondContact CE-OE1 3.45Å; K571-E575 WeakPolarHBondContact CG-OE1 3.46Å; K571-E575 WeakPolarHBondContact O-CG 3.48Å; K571-E575 PolarHBondContact O-N 2.87Å; A572-E575 CarbonylContact O-C 2.79Å; A572-E575 PolarHBondContact O-N 3.27Å; K573-E575 VanDerWaalsContact C-N 3.31Å; K573-E575 PolarHBondContact O-N 3.49Å; E575-R577 HydrophobicContact CB-CG 4.22Å; E575-R577 PolarHBondContact O-N 3.22Å; E575-R577 IonicContact OE2-NE 3.33Å |
| 576 | E | 94.9 | Very high | 93.8 | Very high | 168 Ų | 168 | 48.4 Ų | 48.4 | 79% | 0.785 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 20.2 | -179.3 | -57.6 | -176 | 164.9 | 0 | 0 | 114.7 | A572 K573 K574 I578 | A572-E576 PolarHBondContact O-N 3.09Å; K573-E576 PolarHBondContact O-N 3.42Å; K573-E576 VanDerWaalsContact O-N 3.07Å; K574-E576 PolarHBondContact O-N 3.01Å; E576-I578 PolarHBondContact O-N 3Å |
| 577 | R | 95.5 | Very high | 93.8 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 15% | 0.151 | 23% | 0.233 | C | C | . | . | trans | -81.9 | -5.1 | 176.6 | -63.6 | -177.9 | 177.9 | -84.8 | -5.5 | 113.4 | K488 D491 A572 E575 | K488-R577 WeakPolarHBondContact CB-O 3.4Å; K488-R577 PolarHBondContact N-O 3.3Å; K488-R577 PolarHBondContact O-NH1 2.81Å; D491-R577 IonicContact OD1-CZ 2.79Å; D491-R577 IonicContact OD1-NH1 2.86Å; D491-R577 PolarHBondContact OD1-NH1 3.39Å; D491-R577 IonicContact OD1-NH2 3.9Å; D491-R577 IonicContact OD2-CZ 3.31Å; D491-R577 IonicContact OD2-NH1 3.74Å; D491-R577 PolarHBondContact OD2-NH1 3.14Å; D491-R577 IonicContact OD2-NH2 3Å; D491-R577 PolarHBondContact OD2-NH2 3.2Å; A572-R577 HydrophobicContact CB-CB 4.41Å; A572-R577 WeakPolarHBondContact O-CB 3.35Å; A572-R577 PolarHBondContact O-N 3.37Å; E575-R577 HydrophobicContact CB-CG 4.22Å; E575-R577 PolarHBondContact O-N 3.22Å; E575-R577 IonicContact OE2-NE 3.33Å | ||
| 578 | I | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -126 | 116.9 | 173.9 | -54.4 | 179.5 | 0 | 0 | 0 | 107.2 | I487 V569 A572 K573 E576 Q583 Y584 | I487-I578 HydrophobicContact CD1-CD1 3.51Å; I487-I578 HydrophobicContact CD1-CG1 3.61Å; V569-I578 HydrophobicContact CG1-CD1 3.73Å; A572-I578 HydrophobicContact CB-CD1 4.18Å; A572-I578 HydrophobicContact CB-CG1 4.34Å; K573-I578 HydrophobicContact CB-CB 4.4Å; K573-I578 HydrophobicContact CB-CD1 4.3Å; K573-I578 HydrophobicContact CD-CB 3.93Å; K573-I578 HydrophobicContact CD-CG2 4.29Å; K573-I578 VanDerWaalsContact CD-O 3.22Å; K573-I578 WeakPolarHBondContact CD-O 3.33Å; K573-I578 PolarHBondContact NZ-O 3.17Å; E576-I578 PolarHBondContact O-N 3Å; I578-Q583 HydrophobicContact CG2-CB 3.67Å; I578-Y584 HydrophobicContact CD1-CD2 4.21Å |
| 579 | E | 91 | Very high | 93.5 | Very high | 112 Ų | 112 | 50.1 Ų | 50.1 | 52% | 0.523 | 24% | 0.242 | S | C | . | . | trans | -70.3 | -47.2 | -168.6 | -58.6 | 173.3 | 122.5 | 0 | 0 | 111.8 | K488 K573 Q583 | K488-E579 HydrophobicContact CD-CG 3.97Å; K488-E579 VanDerWaalsContact CE-CG 3.45Å; K488-E579 WeakPolarHBondContact CE-OE1 3.43Å; K488-E579 IonicContact NZ-OE1 2.52Å; K488-E579 PolarHBondContact NZ-OE1 2.74Å; K488-E579 IonicContact NZ-OE2 3.91Å; K573-E579 PolarHBondContact NZ-O 3.15Å; E579-Q583 PolarHBondContact OE2-NE2 2.87Å | ||
| 580 | S | 91.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 50.6 Ų | 50.6 | 31% | 0.308 | 24% | 0.244 | S | C | . | . | trans | -123.1 | 155.1 | -170.7 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | L582 Q583 Y584 | S580-L582 PolarHBondContact O-N 2.84Å; S580-Q583 PolarHBondContact O-N 2.97Å; S580-Q583 WeakPolarHBondContact OG-CG 3.22Å; S580-Q583 PolarHBondContact OG-N 2.89Å; S580-Y584 PolarHBondContact O-N 2.91Å | ||
| 581 | D | 89.8 | Confident | 93.6 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 28% | 0.283 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.9 | -28.4 | 174.2 | -72.9 | 4.5 | 0 | 0 | 0 | 112 | S206 L208 K573 K585 | S206-D581 VanDerWaalsContact CB-OD2 3.24Å; S206-D581 WeakPolarHBondContact CB-OD2 3.4Å; S206-D581 PolarHBondContact OG-OD2 3.08Å; L208-D581 HydrophobicContact CD2-CB 4.1Å; K573-D581 WeakPolarHBondContact CE-OD1 3.44Å; K573-D581 IonicContact NZ-OD1 2.73Å; D581-K585 WeakPolarHBondContact O-CB 3.48Å; D581-K585 PolarHBondContact O-N 3.35Å |
| 582 | L | 90.4 | Very high | 93.6 | Very high | 101 Ų | 101 | 45.9 Ų | 45.9 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.4 | -44 | 175 | -177.9 | 61.9 | 0 | 0 | 0 | 111.7 | S580 K585 T586 | S580-L582 PolarHBondContact O-N 2.84Å; L582-K585 HydrophobicContact CD1-CD 4.5Å; L582-T586 WeakPolarHBondContact O-CB 3.14Å; L582-T586 PolarHBondContact O-N 3.46Å; L582-T586 PolarHBondContact O-OG1 3.09Å |
| 583 | Q | 94.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.4 | -49.5 | 175.3 | -71 | 169.7 | -3.9 | 0 | 0 | 110.4 | Y486 I578 E579 S580 K585 T586 V587 | Y486-Q583 HydrophobicContact CD1-CB 4.2Å; Y486-Q583 HydrophobicContact CD1-CG 3.64Å; Y486-Q583 HydrophobicContact CD2-CB 4.03Å; Y486-Q583 HydrophobicContact CD2-CG 4.24Å; Y486-Q583 HydrophobicContact CE1-CG 3.87Å; Y486-Q583 HydrophobicContact CE2-CG 4.45Å; Y486-Q583 HydrophobicContact CG-CB 3.87Å; Y486-Q583 HydrophobicContact CG-CG 3.86Å; I578-Q583 HydrophobicContact CG2-CB 3.67Å; E579-Q583 PolarHBondContact OE2-NE2 2.87Å; S580-Q583 PolarHBondContact O-N 2.97Å; S580-Q583 WeakPolarHBondContact OG-CG 3.22Å; S580-Q583 PolarHBondContact OG-N 2.89Å; Q583-K585 VanDerWaalsContact C-N 3.35Å; Q583-K585 PolarHBondContact O-N 2.94Å; Q583-T586 PolarHBondContact O-N 3.3Å; Q583-V587 WeakPolarHBondContact O-CG2 3.37Å; Q583-V587 PolarHBondContact O-N 3.37Å |
| 584 | Y | 93.5 | Very high | 93.5 | Very high | 7 Ų | 7 | 45.6 Ų | 45.6 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -52.3 | -51.7 | 176.1 | 171.2 | -109.1 | 0 | 0 | 0 | 111.8 | M209 V569 T570 K573 I578 S580 T586 V587 M588 | M209-Y584 HydrophobicContact CE-CD1 4.43Å; M209-Y584 HydrophobicContact CE-CE1 3.63Å; M209-Y584 HydrophobicContact SD-CD1 4.06Å; M209-Y584 HydrophobicContact SD-CE1 3.84Å; V569-Y584 HydrophobicContact CB-CE2 4.47Å; V569-Y584 HydrophobicContact CG1-CD2 3.6Å; V569-Y584 HydrophobicContact CG1-CE2 3.69Å; T570-Y584 PolarHBondContact OG1-OH 2.73Å; K573-Y584 HydrophobicContact CB-CD2 3.9Å; K573-Y584 HydrophobicContact CB-CE2 4.3Å; K573-Y584 HydrophobicContact CG-CD2 4.27Å; K573-Y584 HydrophobicContact CG-CG 4.45Å; I578-Y584 HydrophobicContact CD1-CD2 4.21Å; S580-Y584 PolarHBondContact O-N 2.91Å; Y584-T586 VanDerWaalsContact C-N 3.28Å; Y584-T586 PolarHBondContact O-N 3.14Å; Y584-V587 PolarHBondContact O-N 3.33Å; Y584-M588 HydrophobicContact CE2-CE 3.91Å; Y584-M588 WeakPolarHBondContact O-CB 3.48Å; Y584-M588 PolarHBondContact O-N 2.88Å |
| 585 | K | 89 | Confident | 93.6 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 16% | 0.161 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.8 | -40.6 | 175.2 | 166.9 | -172.6 | 151.3 | -170.4 | 0 | 112.3 | L208 K212 D581 L582 Q583 M588 N589 | L208-K585 HydrophobicContact CD1-CD 3.71Å; L208-K585 HydrophobicContact CD2-CB 4.42Å; L208-K585 HydrophobicContact CD2-CD 3.79Å; L208-K585 HydrophobicContact CG-CD 3.84Å; K212-K585 HydrophobicContact CD-CD 4.14Å; K212-K585 HydrophobicContact CD-CG 4.41Å; K212-K585 HydrophobicContact CG-CD 4.16Å; K212-K585 HydrophobicContact CG-CG 4.49Å; D581-K585 WeakPolarHBondContact O-CB 3.48Å; D581-K585 PolarHBondContact O-N 3.35Å; L582-K585 HydrophobicContact CD1-CD 4.5Å; Q583-K585 VanDerWaalsContact C-N 3.35Å; Q583-K585 PolarHBondContact O-N 2.94Å; K585-M588 PolarHBondContact O-N 3.22Å; K585-N589 WeakPolarHBondContact CG-ND2 3.31Å; K585-N589 WeakPolarHBondContact O-CB 3.43Å; K585-N589 PolarHBondContact O-N 2.89Å; K585-N589 PolarHBondContact O-ND2 2.86Å |
| 586 | T | 94.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 23% | 0.233 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.6 | -44.6 | -175.5 | -58.4 | 0 | 0 | 0 | 0 | 111 | I482 Y486 L582 Q583 Y584 M588 N589 E590 | I482-T586 HydrophobicContact CD1-CG2 4.15Å; I482-T586 HydrophobicContact CG2-CG2 4.26Å; Y486-T586 HydrophobicContact CE2-CG2 3.76Å; L582-T586 WeakPolarHBondContact O-CB 3.14Å; L582-T586 PolarHBondContact O-N 3.46Å; L582-T586 PolarHBondContact O-OG1 3.09Å; Q583-T586 PolarHBondContact O-N 3.3Å; Y584-T586 VanDerWaalsContact C-N 3.28Å; Y584-T586 PolarHBondContact O-N 3.14Å; T586-M588 VanDerWaalsContact C-N 3.3Å; T586-M588 PolarHBondContact O-N 3.03Å; T586-N589 PolarHBondContact O-N 3.27Å; T586-E590 PolarHBondContact O-N 3.37Å |
| 587 | V | 96.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57.8 | -46.3 | 171.7 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | I482 V483 Y486 V569 Q583 Y584 E590 I591 | I482-V587 HydrophobicContact CG2-CB 4.38Å; I482-V587 HydrophobicContact CG2-CG2 3.85Å; V483-V587 HydrophobicContact CG2-CG1 4.11Å; Y486-V587 HydrophobicContact CD2-CG2 3.98Å; V569-V587 HydrophobicContact CG1-CB 4.19Å; V569-V587 HydrophobicContact CG1-CG1 4.03Å; V569-V587 HydrophobicContact CG2-CG1 3.64Å; Q583-V587 WeakPolarHBondContact O-CG2 3.37Å; Q583-V587 PolarHBondContact O-N 3.37Å; Y584-V587 PolarHBondContact O-N 3.33Å; V587-E590 WeakPolarHBondContact O-CB 3.25Å; V587-E590 PolarHBondContact O-N 3.23Å; V587-I591 HydrophobicContact CG1-CD1 4.23Å; V587-I591 PolarHBondContact O-N 2.66Å |
| 588 | M | 94 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.6 | -45.7 | -177.9 | -169.4 | 64.6 | 63.8 | 0 | 0 | 113.3 | I112 C566 V569 Y584 K585 T586 E590 I591 L592 | I112-M588 HydrophobicContact CB-CE 4.41Å; I112-M588 HydrophobicContact CD1-CE 3.61Å; I112-M588 HydrophobicContact CD1-CG 3.32Å; I112-M588 HydrophobicContact CD1-SD 3.48Å; I112-M588 WeakPolarHBondContact CD1-SD 3.35Å; I112-M588 HydrophobicContact CG2-CE 4Å; I112-M588 HydrophobicContact CG2-SD 4.41Å; C566-M588 HydrophobicContact CB-CE 4.04Å; C566-M588 HydrophobicContact CB-SD 3.7Å; C566-M588 PolarHBondContact SG-SD 2.79Å; V569-M588 HydrophobicContact CB-CE 4.07Å; V569-M588 HydrophobicContact CG1-CE 4.12Å; Y584-M588 HydrophobicContact CE2-CE 3.91Å; Y584-M588 WeakPolarHBondContact O-CB 3.48Å; Y584-M588 PolarHBondContact O-N 2.88Å; K585-M588 PolarHBondContact O-N 3.22Å; T586-M588 VanDerWaalsContact C-N 3.3Å; T586-M588 PolarHBondContact O-N 3.03Å; M588-E590 PolarHBondContact O-N 3.5Å; M588-I591 PolarHBondContact O-N 3.42Å; M588-L592 HydrophobicContact CG-CD1 4.17Å; M588-L592 VanDerWaalsContact O-CG 3.31Å; M588-L592 WeakPolarHBondContact O-CG 3.33Å; M588-L592 PolarHBondContact O-N 3.33Å |
| 589 | N | 93.3 | Very high | 93.2 | Very high | 43 Ų | 43 | 31 Ų | 31 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.1 | -31.2 | 178 | -72.5 | -28.2 | 0 | 0 | 0 | 111.7 | R109 K585 T586 L592 A593 | R109-N589 PolarHBondContact NH1-OD1 2.83Å; R109-N589 PolarHBondContact NH2-OD1 3.34Å; K585-N589 WeakPolarHBondContact CG-ND2 3.31Å; K585-N589 WeakPolarHBondContact O-CB 3.43Å; K585-N589 PolarHBondContact O-N 2.89Å; K585-N589 PolarHBondContact O-ND2 2.86Å; T586-N589 PolarHBondContact O-N 3.27Å; N589-L592 PolarHBondContact O-N 2.95Å; N589-A593 WeakPolarHBondContact O-CB 3.41Å; N589-A593 PolarHBondContact O-N 2.65Å |
| 590 | E | 94.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 29.5 Ų | 29.5 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.8 | -45.5 | 179.7 | -167.2 | 56.3 | -163.3 | 0 | 0 | 113.1 | R478 A479 I482 T586 V587 M588 L592 A593 I594 | R478-E590 IonicContact CZ-OE1 3Å; R478-E590 IonicContact CZ-OE2 2.89Å; R478-E590 IonicContact NE-OE1 3.34Å; R478-E590 PolarHBondContact NE-OE1 3.08Å; R478-E590 IonicContact NE-OE2 3.22Å; R478-E590 IonicContact NH1-OE1 2.66Å; R478-E590 IonicContact NH1-OE2 2.7Å; R478-E590 PolarHBondContact NH1-OE2 2.72Å; R478-E590 IonicContact NH2-OE1 3.58Å; R478-E590 PolarHBondContact NH2-OE1 3.34Å; R478-E590 IonicContact NH2-OE2 3.97Å; R478-E590 PolarHBondContact NH2-OE2 3.46Å; A479-E590 VanDerWaalsContact CA-CG 3.49Å; A479-E590 HydrophobicContact CB-CG 3.47Å; A479-E590 VanDerWaalsContact CB-CG 3.47Å; I482-E590 HydrophobicContact CD1-CB 4.49Å; I482-E590 HydrophobicContact CD1-CG 4.31Å; T586-E590 PolarHBondContact O-N 3.37Å; V587-E590 WeakPolarHBondContact O-CB 3.25Å; V587-E590 PolarHBondContact O-N 3.23Å; M588-E590 PolarHBondContact O-N 3.5Å; E590-L592 VanDerWaalsContact C-N 3.28Å; E590-L592 PolarHBondContact O-N 3.27Å; E590-A593 PolarHBondContact O-N 2.65Å; E590-I594 PolarHBondContact O-N 2.71Å; E590-I594 VanDerWaalsContact O-N 3.08Å |
| 591 | I | 96.8 | Very high | 93.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.6 | -63.1 | 169.2 | 0 | 0 | 0 | 109.9 | I505 L562 A565 V569 V587 M588 I594 R595 | I505-I591 HydrophobicContact CD1-CG1 4.2Å; L562-I591 HydrophobicContact CB-CG2 4.22Å; L562-I591 HydrophobicContact CD2-CG2 4.11Å; A565-I591 HydrophobicContact CB-CD1 4.1Å; A565-I591 HydrophobicContact CB-CG2 4.36Å; V569-I591 HydrophobicContact CG2-CD1 3.71Å; V587-I591 HydrophobicContact CG1-CD1 4.23Å; V587-I591 PolarHBondContact O-N 2.66Å; M588-I591 PolarHBondContact O-N 3.42Å; I591-I594 PolarHBondContact O-N 2.87Å; I591-R595 PolarHBondContact O-N 2.95Å |
| 592 | L | 94.5 | Very high | 93.2 | Very high | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.5 | -32.8 | 179.3 | -68.5 | 178.4 | 0 | 0 | 0 | 113.6 | I108 M588 N589 E590 G596 | I108-L592 HydrophobicContact CB-CD2 3.78Å; I108-L592 HydrophobicContact CD1-CD2 3.69Å; I108-L592 HydrophobicContact CG1-CD2 4.34Å; I108-L592 HydrophobicContact CG2-CD2 3.66Å; M588-L592 HydrophobicContact CG-CD1 4.17Å; M588-L592 VanDerWaalsContact O-CG 3.31Å; M588-L592 WeakPolarHBondContact O-CG 3.33Å; M588-L592 PolarHBondContact O-N 3.33Å; N589-L592 PolarHBondContact O-N 2.95Å; E590-L592 VanDerWaalsContact C-N 3.28Å; E590-L592 PolarHBondContact O-N 3.27Å; L592-G596 PolarHBondContact O-N 2.88Å |
| 593 | A | 93.5 | Very high | 93 | Very high | 41 Ų | 41 | 21.9 Ų | 21.9 | 34% | 0.339 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -65.7 | -45.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | N589 E590 G596 N597 | N589-A593 WeakPolarHBondContact O-CB 3.41Å; N589-A593 PolarHBondContact O-N 2.65Å; E590-A593 PolarHBondContact O-N 2.65Å; A593-G596 PolarHBondContact O-N 2.8Å; A593-N597 PolarHBondContact O-N 3.28Å |
| 594 | I | 95.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -46.1 | 174.9 | -67.5 | 164.6 | 0 | 0 | 0 | 110.7 | A479 I505 E590 I591 G596 N597 I598 | A479-I594 HydrophobicContact CB-CD1 3.76Å; I505-I594 HydrophobicContact CD1-CD1 4.31Å; I505-I594 HydrophobicContact CG2-CD1 3.61Å; I505-I594 HydrophobicContact CG2-CG2 4.16Å; E590-I594 PolarHBondContact O-N 2.71Å; E590-I594 VanDerWaalsContact O-N 3.08Å; I591-I594 PolarHBondContact O-N 2.87Å; I594-G596 VanDerWaalsContact C-N 3.25Å; I594-G596 PolarHBondContact O-N 3.46Å; I594-N597 PolarHBondContact O-N 2.78Å; I594-I598 HydrophobicContact CG2-CG2 4.27Å; I594-I598 WeakPolarHBondContact O-CG1 3.16Å; I594-I598 PolarHBondContact O-N 3.13Å |
| 595 | R | 94 | Very high | 92.4 | Very high | 21 Ų | 21 | 22.3 Ų | 22.3 | 8% | 0.079 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -51.6 | -46 | 174.1 | -172.3 | -128.5 | 54.9 | 120.7 | -8.9 | 111.8 | D104 S105 I108 L562 I591 I598 G599 | D104-R595 IonicContact OD1-NH1 3.56Å; D104-R595 PolarHBondContact OD1-NH1 3.48Å; D104-R595 IonicContact OD2-NH1 3.29Å; D104-R595 PolarHBondContact OD2-NH1 3.11Å; S105-R595 PolarHBondContact OG-NE 3.45Å; S105-R595 PolarHBondContact OG-NH2 3.37Å; I108-R595 HydrophobicContact CD1-CG 4.32Å; L562-R595 HydrophobicContact CD1-CB 3.52Å; L562-R595 HydrophobicContact CD1-CG 3.82Å; I591-R595 PolarHBondContact O-N 2.95Å; R595-I598 VanDerWaalsContact O-CG1 3.32Å; R595-I598 WeakPolarHBondContact O-CG1 3.47Å; R595-G599 PolarHBondContact O-N 3.33Å |
| 596 | G | 91.9 | Very high | 92.1 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 24% | 0.237 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L592 A593 I594 K600 | L592-G596 PolarHBondContact O-N 2.88Å; A593-G596 PolarHBondContact O-N 2.8Å; I594-G596 VanDerWaalsContact C-N 3.25Å; I594-G596 PolarHBondContact O-N 3.46Å; G596-K600 VanDerWaalsContact O-CB 3.3Å; G596-K600 WeakPolarHBondContact O-CB 3.35Å; G596-K600 PolarHBondContact O-N 3.13Å |
| 597 | N | 94.6 | Very high | 91.7 | Very high | 63 Ų | 63 | 21.7 Ų | 21.7 | 34% | 0.337 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -67.5 | -48.2 | 179 | -75.4 | -10.9 | 0 | 0 | 0 | 112.5 | T472 A593 I594 G599 K600 L601 | T472-N597 HydrophobicContact CG2-CB 4.39Å; T472-N597 WeakPolarHBondContact CG2-O 3.5Å; A593-N597 PolarHBondContact O-N 3.28Å; I594-N597 PolarHBondContact O-N 2.78Å; N597-G599 VanDerWaalsContact C-N 3.31Å; N597-G599 PolarHBondContact O-N 2.99Å; N597-K600 WeakPolarHBondContact O-CB 3.33Å; N597-K600 PolarHBondContact O-N 3.41Å; N597-L601 PolarHBondContact O-N 2.97Å |
| 598 | I | 94.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.2 | -34.5 | 178.5 | 65.4 | 173.8 | 0 | 0 | 0 | 112.1 | S474 S508 T509 V512 F558 L562 I594 R595 L601 S602 | S474-I598 VanDerWaalsContact OG-CG2 3.24Å; S474-I598 WeakPolarHBondContact OG-CG2 3.14Å; S508-I598 WeakPolarHBondContact OG-CD1 3.43Å; T509-I598 HydrophobicContact CG2-CG2 4.26Å; V512-I598 HydrophobicContact CG2-CB 4.34Å; F558-I598 HydrophobicContact CD2-CD1 3.66Å; F558-I598 HydrophobicContact CD2-CG1 4.09Å; F558-I598 HydrophobicContact CE2-CD1 3.79Å; F558-I598 HydrophobicContact CE2-CG1 3.79Å; L562-I598 HydrophobicContact CD1-CD1 3.53Å; L562-I598 HydrophobicContact CD1-CG1 4.45Å; I594-I598 HydrophobicContact CG2-CG2 4.27Å; I594-I598 WeakPolarHBondContact O-CG1 3.16Å; I594-I598 PolarHBondContact O-N 3.13Å; R595-I598 VanDerWaalsContact O-CG1 3.32Å; R595-I598 WeakPolarHBondContact O-CG1 3.47Å; I598-L601 WeakPolarHBondContact O-CB 3.45Å; I598-L601 PolarHBondContact O-N 3.4Å; I598-S602 PolarHBondContact O-N 3.17Å |
| 599 | G | 90.6 | Very high | 91 | Very high | 11 Ų | 11 | 22 Ų | 22 | 11% | 0.113 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -42.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | R595 N597 L601 S602 L603 | R595-G599 PolarHBondContact O-N 3.33Å; N597-G599 VanDerWaalsContact C-N 3.31Å; N597-G599 PolarHBondContact O-N 2.99Å; G599-L601 VanDerWaalsContact C-N 3.26Å; G599-L601 PolarHBondContact O-N 2.6Å; G599-S602 PolarHBondContact O-N 3.15Å; G599-S602 PolarHBondContact O-OG 2.93Å; G599-L603 WeakPolarHBondContact O-CG 3.5Å; G599-L603 PolarHBondContact O-N 3Å |
| 600 | K | 91.9 | Very high | 90.7 | Very high | 80 Ų | 80 | 20.1 Ų | 20.1 | 35% | 0.348 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -63 | -33.6 | 173.6 | -174 | -177.9 | 176.5 | -166.9 | 0 | 112.5 | K468 T472 G596 N597 L603 L604 | K468-K600 VanDerWaalsContact CE-CE 3.45Å; T472-K600 HydrophobicContact CG2-CB 3.88Å; T472-K600 HydrophobicContact CG2-CD 3.92Å; T472-K600 HydrophobicContact CG2-CG 3.97Å; G596-K600 VanDerWaalsContact O-CB 3.3Å; G596-K600 WeakPolarHBondContact O-CB 3.35Å; G596-K600 PolarHBondContact O-N 3.13Å; N597-K600 WeakPolarHBondContact O-CB 3.33Å; N597-K600 PolarHBondContact O-N 3.41Å; K600-L603 PolarHBondContact O-N 3.48Å; K600-L604 HydrophobicContact CG-CD1 4.34Å; K600-L604 VanDerWaalsContact O-CG 3.29Å; K600-L604 WeakPolarHBondContact O-CG 3.46Å; K600-L604 PolarHBondContact O-N 3.33Å; K600-L604 VanDerWaalsContact O-N 3.08Å |
| 601 | L | 92.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -46.7 | 176.7 | -159 | 67.8 | 0 | 0 | 0 | 111.5 | I469 T472 V512 L513 I516 N597 I598 G599 L603 L604 D605 F671 | I469-L601 HydrophobicContact CG2-CD1 3.99Å; T472-L601 HydrophobicContact CG2-CB 4.23Å; T472-L601 HydrophobicContact CG2-CD1 4.12Å; V512-L601 HydrophobicContact CG1-CB 4.43Å; V512-L601 HydrophobicContact CG1-CD2 4.37Å; L513-L601 HydrophobicContact CD2-CD2 3.76Å; I516-L601 HydrophobicContact CD1-CD2 3.76Å; I516-L601 HydrophobicContact CD1-CG 3.74Å; N597-L601 PolarHBondContact O-N 2.97Å; I598-L601 WeakPolarHBondContact O-CB 3.45Å; I598-L601 PolarHBondContact O-N 3.4Å; G599-L601 VanDerWaalsContact C-N 3.26Å; G599-L601 PolarHBondContact O-N 2.6Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 2.86Å; L601-L604 PolarHBondContact O-N 3.06Å; L601-D605 PolarHBondContact O-N 3.48Å; L601-F671 HydrophobicContact CD1-CZ 3.69Å; L601-F671 HydrophobicContact CD2-CZ 4.33Å; L601-F671 HydrophobicContact CG-CZ 4.03Å |
| 602 | S | 88.5 | Confident | 89.7 | Confident | 17 Ų | 17 | 19.6 Ų | 19.6 | 12% | 0.119 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.5 | -36.7 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 112.2 | I598 G599 L604 D605 W606 | I598-S602 PolarHBondContact O-N 3.17Å; G599-S602 PolarHBondContact O-N 3.15Å; G599-S602 PolarHBondContact O-OG 2.93Å; S602-L604 VanDerWaalsContact C-N 3.33Å; S602-L604 PolarHBondContact O-N 2.78Å; S602-D605 PolarHBondContact O-N 3.41Å; S602-D605 VanDerWaalsContact O-N 3.13Å; S602-W606 WeakPolarHBondContact O-CB 3.48Å; S602-W606 PolarHBondContact O-N 3.12Å |
| 603 | L | 86.4 | Confident | 89.4 | Confident | 21 Ų | 21 | 19.3 Ų | 19.3 | 11% | 0.11 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | 175.1 | -68.8 | 174.3 | 0 | 0 | 0 | 113.6 | F97 W102 G599 K600 L601 D605 W606 V607 | F97-L603 HydrophobicContact CE1-CB 4.16Å; F97-L603 HydrophobicContact CZ-CB 3.81Å; F97-L603 WeakPolarHBondContact CZ-O 3.47Å; W102-L603 HydrophobicContact CD2-CD1 3.85Å; W102-L603 HydrophobicContact CG-CD1 4.26Å; W102-L603 HydrophobicContact CH2-CD1 4.37Å; W102-L603 HydrophobicContact CH2-CD2 3.34Å; W102-L603 HydrophobicContact CH2-CG 4.42Å; W102-L603 HydrophobicContact CZ2-CD1 3.64Å; W102-L603 HydrophobicContact CZ2-CD2 3.15Å; W102-L603 HydrophobicContact CZ2-CG 4.01Å; W102-L603 HydrophobicContact CZ3-CD2 4.11Å; W102-L603 VanDerWaalsContact NE1-CD1 3.32Å; G599-L603 WeakPolarHBondContact O-CG 3.5Å; G599-L603 PolarHBondContact O-N 3Å; K600-L603 PolarHBondContact O-N 3.48Å; L601-L603 VanDerWaalsContact C-N 3.31Å; L601-L603 PolarHBondContact O-N 2.86Å; L603-D605 VanDerWaalsContact C-N 3.25Å; L603-D605 PolarHBondContact O-N 2.94Å; L603-W606 HydrophobicContact CD2-CE3 3.83Å; L603-W606 HydrophobicContact CD2-CZ3 4.3Å; L603-W606 PolarHBondContact O-N 3.09Å; L603-V607 PolarHBondContact O-N 2.88Å |
| 604 | L | 87.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.042 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.4 | -16.3 | 174.5 | -72 | 167.9 | 0 | 0 | 0 | 112.8 | R465 I469 K600 L601 S602 | R465-L604 PolarHBondContact NH2-O 3.41Å; I469-L604 HydrophobicContact CG1-CB 4.39Å; I469-L604 HydrophobicContact CG1-CD1 4.03Å; K600-L604 HydrophobicContact CG-CD1 4.34Å; K600-L604 VanDerWaalsContact O-CG 3.29Å; K600-L604 WeakPolarHBondContact O-CG 3.46Å; K600-L604 PolarHBondContact O-N 3.33Å; K600-L604 VanDerWaalsContact O-N 3.08Å; L601-L604 PolarHBondContact O-N 3.06Å; S602-L604 VanDerWaalsContact C-N 3.33Å; S602-L604 PolarHBondContact O-N 2.78Å |
| 605 | D | 86 | Confident | 89 | Confident | 36 Ų | 36 | 17.1 Ų | 17.1 | 19% | 0.193 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -86 | -41.4 | 168.1 | -177.7 | 65.5 | 0 | 0 | 0 | 111.2 | T6 I516 L601 S602 L603 V607 | T6-D605 WeakPolarHBondContact CG2-OD1 3.17Å; I516-D605 HydrophobicContact CB-CB 4.1Å; I516-D605 HydrophobicContact CG2-CB 3.6Å; L601-D605 PolarHBondContact O-N 3.48Å; S602-D605 PolarHBondContact O-N 3.41Å; S602-D605 VanDerWaalsContact O-N 3.13Å; L603-D605 VanDerWaalsContact C-N 3.25Å; L603-D605 PolarHBondContact O-N 2.94Å; D605-V607 PolarHBondContact O-N 2.98Å |
| 606 | W | 84.1 | Confident | 88.7 | Confident | 61 Ų | 61 | 16.1 Ų | 16.1 | 23% | 0.231 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -177.7 | -177.5 | 43.2 | 0 | 0 | 0 | 113.6 | W102 E306 Y309 I310 S602 L603 P608 | W102-W606 HydrophobicContact CH2-CZ3 4.34Å; E306-W606 HydrophobicContact CB-CH2 3.97Å; E306-W606 HydrophobicContact CB-CZ2 3.81Å; E306-W606 HydrophobicContact CG-CZ2 4.15Å; Y309-W606 AromaticContact CD1-CH2 3.43Å; Y309-W606 HydrophobicContact CD1-CH2 3.43Å; Y309-W606 VanDerWaalsContact CD1-CH2 3.43Å; Y309-W606 AromaticContact CD1-CZ2 3.59Å; Y309-W606 HydrophobicContact CD1-CZ2 3.59Å; Y309-W606 HydrophobicContact CD1-CZ3 4.27Å; Y309-W606 AromaticContact CE1-CH2 3.85Å; Y309-W606 HydrophobicContact CE1-CH2 3.85Å; Y309-W606 AromaticContact CE1-CZ2 3.94Å; Y309-W606 HydrophobicContact CE1-CZ2 3.94Å; Y309-W606 HydrophobicContact CE1-CZ3 4.32Å; Y309-W606 HydrophobicContact CG-CH2 4.5Å; Y309-W606 HydrophobicContact CG-CZ2 4.42Å; I310-W606 HydrophobicContact CD1-CH2 4.38Å; I310-W606 HydrophobicContact CD1-CZ3 4.28Å; I310-W606 HydrophobicContact CG1-CH2 4.11Å; I310-W606 HydrophobicContact CG1-CZ3 4.21Å; S602-W606 WeakPolarHBondContact O-CB 3.48Å; S602-W606 PolarHBondContact O-N 3.12Å; L603-W606 HydrophobicContact CD2-CE3 3.83Å; L603-W606 HydrophobicContact CD2-CZ3 4.3Å; L603-W606 PolarHBondContact O-N 3.09Å; W606-P608 WeakPolarHBondContact O-CD 3.23Å |
| 607 | V | 85.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -110.8 | 88.6 | 178.3 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | W93 F97 F305 R465 L603 D605 | W93-V607 HydrophobicContact CH2-CG1 3.72Å; W93-V607 HydrophobicContact CZ2-CG1 3.73Å; F97-V607 HydrophobicContact CD2-CB 4.32Å; F97-V607 HydrophobicContact CD2-CG1 4.26Å; F97-V607 HydrophobicContact CD2-CG2 4.17Å; F97-V607 HydrophobicContact CE1-CB 4.28Å; F97-V607 HydrophobicContact CE2-CB 3.7Å; F97-V607 HydrophobicContact CE2-CG1 4.13Å; F97-V607 HydrophobicContact CE2-CG2 3.32Å; F97-V607 HydrophobicContact CZ-CB 3.64Å; F97-V607 HydrophobicContact CZ-CG1 4.39Å; F97-V607 HydrophobicContact CZ-CG2 3.61Å; F305-V607 HydrophobicContact CD1-CG1 4.2Å; F305-V607 HydrophobicContact CE1-CG1 3.93Å; R465-V607 PolarHBondContact NH1-O 3.16Å; R465-V607 PolarHBondContact NH2-O 2.61Å; L603-V607 PolarHBondContact O-N 2.88Å; D605-V607 PolarHBondContact O-N 2.98Å |
| 608 | P | 86.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 12.1 Ų | 12.1 | 5% | 0.045 | 6% | 0.061 | C | C | . | . | trans | -71.6 | -177.5 | -179.1 | 32.5 | -38 | 0 | 0 | 0 | 111.9 | Y5 W93 W606 | Y5-P608 HydrophobicContact CD1-CG 4.17Å; Y5-P608 HydrophobicContact CE1-CB 4.1Å; Y5-P608 HydrophobicContact CE1-CG 4Å; W93-P608 WeakPolarHBondContact CH2-O 3.21Å; W606-P608 WeakPolarHBondContact O-CD 3.23Å | ||
| 609 | V | 88.7 | Confident | 88.3 | Confident | 3 Ų | 3 | 12.7 Ų | 12.7 | 2% | 0.018 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -58.6 | 143.2 | 162.4 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | Y5 Y90 F458 L611 Y613 L668 | Y5-V609 WeakPolarHBondContact CE1-O 3.37Å; Y5-V609 VanDerWaalsContact CZ-O 3.29Å; Y5-V609 PolarHBondContact OH-O 2.96Å; Y90-V609 HydrophobicContact CE2-CG1 4.4Å; F458-V609 HydrophobicContact CE2-CG1 4.14Å; V609-L611 PolarHBondContact O-N 3.04Å; V609-Y613 HydrophobicContact CG1-CD1 4.4Å; V609-L668 HydrophobicContact CB-CD1 4.44Å |
| 610 | P | 85.9 | Confident | 88.3 | Confident | 3 Ų | 3 | 12.2 Ų | 12.2 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | trans | -58.4 | 136.4 | 179 | -26.3 | 34.4 | 0 | 0 | 0 | 112.2 | W93 L294 V612 Y613 T614 | W93-P610 HydrophobicContact CH2-CG 4.42Å; W93-P610 HydrophobicContact CZ2-CG 4.32Å; L294-P610 HydrophobicContact CD1-CG 3.99Å; L294-P610 HydrophobicContact CD2-CB 4.08Å; L294-P610 HydrophobicContact CD2-CG 3.31Å; L294-P610 HydrophobicContact CG-CG 4.2Å; P610-V612 VanDerWaalsContact C-N 3.31Å; P610-V612 HydrophobicContact CB-CG1 4.11Å; P610-V612 PolarHBondContact O-N 3.35Å; P610-Y613 PolarHBondContact O-N 2.94Å; P610-Y613 VanDerWaalsContact O-N 3.17Å; P610-T614 PolarHBondContact O-N 2.76Å | ||
| 611 | L | 86.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -62.5 | -42.9 | -176.4 | 176.4 | 61 | 0 | 0 | 0 | 110.9 | I3 Y5 L20 R23 V609 Y613 T614 Q615 | I3-L611 HydrophobicContact CG2-CD2 4.4Å; Y5-L611 HydrophobicContact CD1-CB 4.14Å; Y5-L611 HydrophobicContact CD1-CD1 4.04Å; Y5-L611 HydrophobicContact CE1-CB 4Å; Y5-L611 HydrophobicContact CE1-CD1 4.22Å; Y5-L611 HydrophobicContact CG-CD1 4.29Å; L20-L611 HydrophobicContact CB-CD1 3.95Å; L20-L611 HydrophobicContact CD1-CD1 4.31Å; L20-L611 HydrophobicContact CD2-CD1 4.01Å; L20-L611 HydrophobicContact CG-CD1 4.32Å; R23-L611 HydrophobicContact CB-CD2 4.08Å; R23-L611 HydrophobicContact CG-CD2 4.2Å; V609-L611 PolarHBondContact O-N 3.04Å; L611-Y613 PolarHBondContact O-N 3.13Å; L611-T614 WeakPolarHBondContact O-CA 3.39Å; L611-T614 WeakPolarHBondContact O-CB 3.31Å; L611-T614 PolarHBondContact O-N 2.84Å; L611-Q615 HydrophobicContact CD1-CG 4.11Å; L611-Q615 HydrophobicContact CG-CG 4.14Å; L611-Q615 WeakPolarHBondContact O-CG 3.37Å; L611-Q615 PolarHBondContact O-N 3.06Å |
| 612 | V | 84.1 | Confident | 88.3 | Confident | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -53.8 | -38.4 | 177.1 | 61 | 0 | 0 | 0 | 0 | 112.3 | I28 I31 V290 P610 Q615 V616 | I28-V612 HydrophobicContact CB-CG2 3.99Å; I28-V612 HydrophobicContact CG1-CG2 4.24Å; I31-V612 HydrophobicContact CD1-CB 4.49Å; I31-V612 HydrophobicContact CD1-CG2 4.27Å; V290-V612 HydrophobicContact CG2-CB 4.26Å; V290-V612 HydrophobicContact CG2-CG1 3.95Å; V290-V612 HydrophobicContact CG2-CG2 3.68Å; P610-V612 VanDerWaalsContact C-N 3.31Å; P610-V612 HydrophobicContact CB-CG1 4.11Å; P610-V612 PolarHBondContact O-N 3.35Å; V612-Q615 PolarHBondContact O-N 3.09Å; V612-V616 VanDerWaalsContact O-CG2 3.31Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 2.74Å |
| 613 | Y | 88.7 | Confident | 88.3 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68 | -44.4 | 178.1 | -165.1 | -178.6 | 0 | 0 | 0 | 111 | V86 Y90 W287 V290 F458 V609 P610 L611 Q615 V616 V617 | V86-Y613 HydrophobicContact CG1-CE1 4.49Å; Y90-Y613 HydrophobicContact CD2-CD1 4.34Å; Y90-Y613 HydrophobicContact CD2-CE1 4.42Å; W287-Y613 AromaticContact NE1-CE2 3.82Å; V290-Y613 HydrophobicContact CG1-CD1 4.37Å; V290-Y613 HydrophobicContact CG1-CD2 4.34Å; V290-Y613 HydrophobicContact CG1-CG 3.96Å; F458-Y613 HydrophobicContact CB-CE2 4.26Å; F458-Y613 HydrophobicContact CD2-CD1 4.21Å; F458-Y613 HydrophobicContact CD2-CD2 4.01Å; F458-Y613 HydrophobicContact CD2-CE1 4.19Å; F458-Y613 AromaticContact CD2-CE2 3.97Å; F458-Y613 HydrophobicContact CD2-CE2 3.97Å; F458-Y613 HydrophobicContact CD2-CG 4.12Å; F458-Y613 HydrophobicContact CE2-CG 4.4Å; V609-Y613 HydrophobicContact CG1-CD1 4.4Å; P610-Y613 PolarHBondContact O-N 2.94Å; P610-Y613 VanDerWaalsContact O-N 3.17Å; L611-Y613 PolarHBondContact O-N 3.13Å; Y613-Q615 VanDerWaalsContact C-N 3.28Å; Y613-Q615 PolarHBondContact O-N 3.48Å; Y613-V616 PolarHBondContact O-N 2.91Å; Y613-V617 HydrophobicContact CD2-CG2 3.82Å; Y613-V617 HydrophobicContact CE2-CG2 3.79Å; Y613-V617 VanDerWaalsContact O-CG2 3.25Å; Y613-V617 WeakPolarHBondContact O-CG2 3.46Å; Y613-V617 PolarHBondContact O-N 3.22Å |
| 614 | T | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 174.5 | -54.4 | 0 | 0 | 0 | 0 | 111.2 | Y5 F17 L20 F458 P610 L611 T618 | Y5-T614 PolarHBondContact OH-OG1 3.44Å; F17-T614 HydrophobicContact CD1-CG2 4.35Å; F17-T614 HydrophobicContact CD2-CG2 4.28Å; F17-T614 HydrophobicContact CE1-CG2 4Å; F17-T614 HydrophobicContact CE2-CG2 3.97Å; F17-T614 HydrophobicContact CG-CG2 4.47Å; F17-T614 HydrophobicContact CZ-CG2 3.8Å; L20-T614 HydrophobicContact CD1-CG2 3.8Å; F458-T614 HydrophobicContact CZ-CG2 4.29Å; P610-T614 PolarHBondContact O-N 2.76Å; L611-T614 WeakPolarHBondContact O-CA 3.39Å; L611-T614 WeakPolarHBondContact O-CB 3.31Å; L611-T614 PolarHBondContact O-N 2.84Å; T614-T618 VanDerWaalsContact O-CB 3.25Å; T614-T618 WeakPolarHBondContact O-CB 3.45Å; T614-T618 PolarHBondContact O-N 2.98Å; T614-T618 PolarHBondContact O-OG1 2.96Å |
| 615 | Q | 89.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -68.1 | -45.2 | 179.1 | -69.5 | -179.4 | -25.6 | 0 | 0 | 112.5 | L20 L21 I28 L611 V612 Y613 V617 T618 I619 | L20-Q615 PolarHBondContact O-NE2 3.11Å; L21-Q615 HydrophobicContact CD2-CB 3.89Å; L21-Q615 HydrophobicContact CD2-CG 3.98Å; I28-Q615 HydrophobicContact CB-CB 4.37Å; I28-Q615 HydrophobicContact CG2-CB 4.04Å; L611-Q615 HydrophobicContact CD1-CG 4.11Å; L611-Q615 HydrophobicContact CG-CG 4.14Å; L611-Q615 WeakPolarHBondContact O-CG 3.37Å; L611-Q615 PolarHBondContact O-N 3.06Å; V612-Q615 PolarHBondContact O-N 3.09Å; Y613-Q615 VanDerWaalsContact C-N 3.28Å; Y613-Q615 PolarHBondContact O-N 3.48Å; Q615-V617 VanDerWaalsContact C-N 3.33Å; Q615-V617 PolarHBondContact O-N 3.41Å; Q615-T618 PolarHBondContact O-N 2.8Å; Q615-I619 WeakPolarHBondContact O-CB 3.16Å; Q615-I619 VanDerWaalsContact O-CG1 3.26Å; Q615-I619 WeakPolarHBondContact O-CG1 3.44Å; Q615-I619 PolarHBondContact O-N 3.01Å |
| 616 | V | 88.4 | Confident | 89 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.8 | -48.6 | 176.7 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | I28 F283 W287 V290 V612 Y613 I619 A620 | I28-V616 HydrophobicContact CD1-CB 4.4Å; I28-V616 HydrophobicContact CD1-CG2 3.41Å; I28-V616 VanDerWaalsContact CD1-CG2 3.41Å; I28-V616 HydrophobicContact CG1-CG2 4Å; F283-V616 HydrophobicContact CD2-CG1 4.4Å; W287-V616 HydrophobicContact CB-CG1 4.23Å; W287-V616 HydrophobicContact CG-CG1 4.41Å; V290-V616 HydrophobicContact CG2-CB 4.46Å; V290-V616 HydrophobicContact CG2-CG2 3.73Å; V612-V616 VanDerWaalsContact O-CG2 3.31Å; V612-V616 WeakPolarHBondContact O-CG2 3.37Å; V612-V616 PolarHBondContact O-N 2.74Å; Y613-V616 PolarHBondContact O-N 2.91Å; V616-I619 PolarHBondContact O-N 3.47Å; V616-A620 WeakPolarHBondContact O-CB 3.18Å; V616-A620 PolarHBondContact O-N 2.98Å |
| 617 | V | 91.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | -178.8 | 179 | 0 | 0 | 0 | 0 | 110.7 | V454 L455 F458 Y613 Q615 A620 V621 L661 | V454-V617 HydrophobicContact CG1-CB 4.12Å; V454-V617 HydrophobicContact CG1-CG1 4.23Å; V454-V617 HydrophobicContact CG1-CG2 3.55Å; L455-V617 HydrophobicContact CD1-CG1 3.85Å; F458-V617 HydrophobicContact CB-CB 4.48Å; F458-V617 HydrophobicContact CB-CG1 4.13Å; F458-V617 HydrophobicContact CB-CG2 3.63Å; F458-V617 HydrophobicContact CD1-CB 4.3Å; F458-V617 HydrophobicContact CD1-CG1 3.84Å; F458-V617 HydrophobicContact CD1-CG2 4.21Å; F458-V617 HydrophobicContact CD2-CG2 3.83Å; F458-V617 HydrophobicContact CE1-CG1 4.47Å; F458-V617 HydrophobicContact CG-CB 4.23Å; F458-V617 HydrophobicContact CG-CG1 4.07Å; F458-V617 HydrophobicContact CG-CG2 3.63Å; Y613-V617 HydrophobicContact CD2-CG2 3.82Å; Y613-V617 HydrophobicContact CE2-CG2 3.79Å; Y613-V617 VanDerWaalsContact O-CG2 3.25Å; Y613-V617 WeakPolarHBondContact O-CG2 3.46Å; Y613-V617 PolarHBondContact O-N 3.22Å; Q615-V617 VanDerWaalsContact C-N 3.33Å; Q615-V617 PolarHBondContact O-N 3.41Å; V617-A620 WeakPolarHBondContact O-CB 3.25Å; V617-A620 PolarHBondContact O-N 3.3Å; V617-V621 WeakPolarHBondContact O-CG2 3.18Å; V617-V621 PolarHBondContact O-N 3.3Å; V617-V621 VanDerWaalsContact O-N 3.11Å; V617-L661 HydrophobicContact CG1-CD1 3.92Å |
| 618 | T | 91.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 9.1 Ų | 9.1 | 1% | 0.006 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.6 | -48.2 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 111 | F17 L21 T614 Q615 A620 V621 Y622 | F17-T618 HydrophobicContact CB-CG2 3.9Å; F17-T618 WeakPolarHBondContact CD2-OG1 3.46Å; L21-T618 HydrophobicContact CD1-CG2 3.98Å; L21-T618 HydrophobicContact CD2-CG2 3.92Å; L21-T618 HydrophobicContact CG-CG2 3.99Å; T614-T618 VanDerWaalsContact O-CB 3.25Å; T614-T618 WeakPolarHBondContact O-CB 3.45Å; T614-T618 PolarHBondContact O-N 2.98Å; T614-T618 PolarHBondContact O-OG1 2.96Å; Q615-T618 PolarHBondContact O-N 2.8Å; T618-A620 VanDerWaalsContact C-N 3.3Å; T618-A620 PolarHBondContact O-N 3.48Å; T618-V621 PolarHBondContact O-N 3.45Å; T618-Y622 HydrophobicContact CG2-CD2 3.51Å; T618-Y622 HydrophobicContact CG2-CE2 3.7Å; T618-Y622 WeakPolarHBondContact O-CB 3.16Å; T618-Y622 VanDerWaalsContact O-CD2 3.31Å; T618-Y622 WeakPolarHBondContact O-CD2 3.27Å; T618-Y622 PolarHBondContact O-N 2.7Å |
| 619 | I | 89.6 | Confident | 89.6 | Confident | 13 Ų | 13 | 9.8 Ų | 9.8 | 7% | 0.067 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -58.5 | -43.8 | 176.4 | -70.2 | 166.7 | 0 | 0 | 0 | 110.2 | L21 I28 Y29 Q615 V616 V621 S623 | L21-I619 HydrophobicContact CD1-CG1 4.11Å; L21-I619 HydrophobicContact CD2-CD1 4.1Å; L21-I619 HydrophobicContact CD2-CG1 3.62Å; I28-I619 HydrophobicContact CD1-CD1 4Å; I28-I619 HydrophobicContact CG2-CD1 3.71Å; Y29-I619 HydrophobicContact CE1-CD1 4.34Å; Q615-I619 WeakPolarHBondContact O-CB 3.16Å; Q615-I619 VanDerWaalsContact O-CG1 3.26Å; Q615-I619 WeakPolarHBondContact O-CG1 3.44Å; Q615-I619 PolarHBondContact O-N 3.01Å; V616-I619 PolarHBondContact O-N 3.47Å; I619-V621 PolarHBondContact O-N 3.42Å; I619-S623 WeakPolarHBondContact O-CA 3.33Å; I619-S623 WeakPolarHBondContact O-CB 3.33Å; I619-S623 PolarHBondContact O-N 2.91Å; I619-S623 PolarHBondContact O-OG 3.33Å |
| 620 | A | 89.1 | Confident | 89.5 | Confident | 2 Ų | 2 | 11.9 Ų | 11.9 | 2% | 0.017 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.4 | -51.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F283 I449 V616 V617 T618 F624 | F283-A620 HydrophobicContact CD2-CB 3.53Å; F283-A620 HydrophobicContact CE2-CB 3.42Å; F283-A620 VanDerWaalsContact CE2-CB 3.42Å; I449-A620 HydrophobicContact CG2-CB 4.37Å; V616-A620 WeakPolarHBondContact O-CB 3.18Å; V616-A620 PolarHBondContact O-N 2.98Å; V617-A620 WeakPolarHBondContact O-CB 3.25Å; V617-A620 PolarHBondContact O-N 3.3Å; T618-A620 VanDerWaalsContact C-N 3.3Å; T618-A620 PolarHBondContact O-N 3.48Å; A620-F624 WeakPolarHBondContact O-CB 3.48Å; A620-F624 PolarHBondContact O-N 3.11Å; A620-F624 VanDerWaalsContact O-N 3.13Å |
| 621 | V | 92.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 11.9 Ų | 11.9 | 1% | 0.006 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.9 | -47.7 | -177.4 | 177 | 0 | 0 | 0 | 0 | 111.1 | I451 L455 V617 T618 I619 F624 F625 I658 L661 | I451-V621 HydrophobicContact CG2-CG2 3.85Å; L455-V621 HydrophobicContact CD1-CG2 4.31Å; L455-V621 HydrophobicContact CD2-CG2 4.23Å; V617-V621 WeakPolarHBondContact O-CG2 3.18Å; V617-V621 PolarHBondContact O-N 3.3Å; V617-V621 VanDerWaalsContact O-N 3.11Å; T618-V621 PolarHBondContact O-N 3.45Å; I619-V621 PolarHBondContact O-N 3.42Å; V621-F624 WeakPolarHBondContact O-CB 3.45Å; V621-F624 PolarHBondContact O-N 3.33Å; V621-F625 HydrophobicContact CG1-CD2 4.08Å; V621-F625 HydrophobicContact CG1-CE2 3.95Å; V621-F625 VanDerWaalsContact O-CD2 3.22Å; V621-F625 WeakPolarHBondContact O-CD2 3.48Å; V621-F625 PolarHBondContact O-N 3.29Å; V621-I658 HydrophobicContact CG1-CD1 3.53Å; V621-I658 HydrophobicContact CG1-CG1 4.27Å; V621-L661 HydrophobicContact CB-CD2 3.99Å; V621-L661 HydrophobicContact CG1-CD2 3.94Å; V621-L661 HydrophobicContact CG2-CD2 4.31Å |
| 622 | Y | 92 | Very high | 89.2 | Confident | 40 Ų | 40 | 15 Ų | 15 | 16% | 0.157 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.1 | -38.1 | -179.1 | -81.4 | -81.2 | 0 | 0 | 0 | 112.1 | L18 D408 T618 F624 F625 C626 I658 L661 | L18-Y622 HydrophobicContact CD1-CE1 4.06Å; L18-Y622 HydrophobicContact CD2-CD1 3.98Å; L18-Y622 HydrophobicContact CD2-CD2 3.85Å; L18-Y622 HydrophobicContact CD2-CE1 3.99Å; L18-Y622 HydrophobicContact CD2-CE2 3.86Å; L18-Y622 HydrophobicContact CD2-CG 3.92Å; L18-Y622 HydrophobicContact CG-CE1 4.17Å; L18-Y622 HydrophobicContact CG-CE2 4.12Å; D408-Y622 PolarHBondContact OD1-OH 3.34Å; T618-Y622 HydrophobicContact CG2-CD2 3.51Å; T618-Y622 HydrophobicContact CG2-CE2 3.7Å; T618-Y622 WeakPolarHBondContact O-CB 3.16Å; T618-Y622 VanDerWaalsContact O-CD2 3.31Å; T618-Y622 WeakPolarHBondContact O-CD2 3.27Å; T618-Y622 PolarHBondContact O-N 2.7Å; Y622-F624 VanDerWaalsContact C-N 3.32Å; Y622-F624 PolarHBondContact O-N 3.15Å; Y622-F625 PolarHBondContact O-N 3.1Å; Y622-C626 WeakPolarHBondContact O-CB 3.41Å; Y622-C626 PolarHBondContact O-N 2.82Å; Y622-C626 PolarHBondContact O-SG 3.46Å; Y622-I658 HydrophobicContact CE1-CD1 4.44Å; Y622-L661 HydrophobicContact CD2-CD2 4.3Å; Y622-L661 HydrophobicContact CE2-CD2 3.88Å |
| 623 | S | 89.2 | Confident | 88.8 | Confident | 20 Ų | 20 | 15.2 Ų | 15.2 | 14% | 0.14 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 176.1 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | I619 F625 C626 L627 | I619-S623 WeakPolarHBondContact O-CA 3.33Å; I619-S623 WeakPolarHBondContact O-CB 3.33Å; I619-S623 PolarHBondContact O-N 2.91Å; I619-S623 PolarHBondContact O-OG 3.33Å; S623-F625 PolarHBondContact O-N 3.47Å; S623-C626 WeakPolarHBondContact O-CB 3.45Å; S623-C626 PolarHBondContact O-N 3.37Å; S623-L627 VanDerWaalsContact O-CG 3.31Å; S623-L627 WeakPolarHBondContact O-CG 3.4Å; S623-L627 PolarHBondContact O-N 2.91Å |
| 624 | F | 91.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 16.3 Ų | 16.3 | 5% | 0.053 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.3 | -47.2 | 173.7 | 174.6 | -97.1 | 0 | 0 | 0 | 113.1 | N446 I451 A620 V621 Y622 C626 L627 C628 E653 Y657 | N446-F624 VanDerWaalsContact CG-CE2 3.47Å; N446-F624 VanDerWaalsContact ND2-CE2 3.32Å; N446-F624 WeakPolarHBondContact ND2-CE2 3.33Å; N446-F624 WeakPolarHBondContact OD1-CD2 3.46Å; N446-F624 WeakPolarHBondContact OD1-CE2 3.3Å; I451-F624 HydrophobicContact CD1-CB 3.1Å; I451-F624 HydrophobicContact CD1-CD1 3.61Å; I451-F624 HydrophobicContact CD1-CD2 3Å; I451-F624 HydrophobicContact CD1-CE1 4.22Å; I451-F624 HydrophobicContact CD1-CE2 3.69Å; I451-F624 HydrophobicContact CD1-CG 2.95Å; I451-F624 HydrophobicContact CD1-CZ 4.25Å; I451-F624 HydrophobicContact CG1-CB 4.18Å; I451-F624 HydrophobicContact CG1-CD2 4.38Å; I451-F624 HydrophobicContact CG1-CG 4.36Å; A620-F624 WeakPolarHBondContact O-CB 3.48Å; A620-F624 PolarHBondContact O-N 3.11Å; A620-F624 VanDerWaalsContact O-N 3.13Å; V621-F624 WeakPolarHBondContact O-CB 3.45Å; V621-F624 PolarHBondContact O-N 3.33Å; Y622-F624 VanDerWaalsContact C-N 3.32Å; Y622-F624 PolarHBondContact O-N 3.15Å; F624-C626 VanDerWaalsContact C-N 3.35Å; F624-C626 PolarHBondContact O-N 3.44Å; F624-L627 CarbonylContact O-C 3.53Å; F624-L627 WeakPolarHBondContact O-CB 3Å; F624-L627 PolarHBondContact O-N 3.13Å; F624-L627 VanDerWaalsContact O-N 3.17Å; F624-C628 PolarHBondContact O-N 3.44Å; F624-C628 PolarHBondContact O-SG 2.82Å; F624-C628 VanDerWaalsContact O-SG 3.37Å; F624-E653 VanDerWaalsContact CZ-OE2 3.27Å; F624-E653 WeakPolarHBondContact CZ-OE2 3.38Å; F624-Y657 HydrophobicContact CD1-CD2 4.12Å; F624-Y657 HydrophobicContact CD1-CE2 4.48Å; F624-Y657 AromaticContact CE1-CD2 3.66Å; F624-Y657 HydrophobicContact CE1-CD2 3.66Å; F624-Y657 AromaticContact CE1-CE2 3.72Å; F624-Y657 HydrophobicContact CE1-CE2 3.72Å; F624-Y657 HydrophobicContact CZ-CD2 4.18Å; F624-Y657 AromaticContact CZ-CE2 3.75Å; F624-Y657 HydrophobicContact CZ-CE2 3.75Å |
| 625 | F | 93 | Very high | 86.2 | Confident | 6 Ų | 6 | 21.6 Ų | 21.6 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.8 | -33.3 | 177.9 | -73.9 | -66.2 | 0 | 0 | 0 | 112.6 | F412 V621 Y622 S623 L627 C628 L629 E653 F654 Y657 I658 | F412-F625 HydrophobicContact CD2-CB 4.23Å; F412-F625 HydrophobicContact CE2-CB 3.92Å; F412-F625 AromaticContact CE2-CD1 3.98Å; F412-F625 HydrophobicContact CE2-CD1 3.98Å; F412-F625 HydrophobicContact CE2-CG 4.37Å; F412-F625 HydrophobicContact CZ-CD1 4.28Å; V621-F625 HydrophobicContact CG1-CD2 4.08Å; V621-F625 HydrophobicContact CG1-CE2 3.95Å; V621-F625 VanDerWaalsContact O-CD2 3.22Å; V621-F625 WeakPolarHBondContact O-CD2 3.48Å; V621-F625 PolarHBondContact O-N 3.29Å; Y622-F625 PolarHBondContact O-N 3.1Å; S623-F625 PolarHBondContact O-N 3.47Å; F625-L627 VanDerWaalsContact C-N 3.31Å; F625-L627 PolarHBondContact O-N 3.22Å; F625-C628 HydrophobicContact CD1-CB 4.48Å; F625-C628 WeakPolarHBondContact O-CB 3.35Å; F625-C628 PolarHBondContact O-N 3.5Å; F625-L629 WeakPolarHBondContact O-CG 3.25Å; F625-L629 PolarHBondContact O-N 3.09Å; F625-E653 HydrophobicContact CE1-CB 4.44Å; F625-F654 HydrophobicContact CD1-CB 4.43Å; F625-F654 AromaticContact CD1-CD2 3.56Å; F625-F654 HydrophobicContact CD1-CD2 3.56Å; F625-F654 HydrophobicContact CD1-CE2 4.29Å; F625-F654 HydrophobicContact CD1-CG 4.42Å; F625-F654 HydrophobicContact CD2-CD2 4.28Å; F625-F654 VanDerWaalsContact CE1-CA 3.49Å; F625-F654 HydrophobicContact CE1-CB 3.75Å; F625-F654 AromaticContact CE1-CD2 3.71Å; F625-F654 HydrophobicContact CE1-CD2 3.71Å; F625-F654 HydrophobicContact CE1-CG 4.13Å; F625-F654 HydrophobicContact CE2-CD2 4.41Å; F625-F654 AromaticContact CG-CD2 3.89Å; F625-F654 HydrophobicContact CG-CD2 3.89Å; F625-F654 HydrophobicContact CG-CE2 4.2Å; F625-F654 HydrophobicContact CZ-CB 4.07Å; F625-F654 HydrophobicContact CZ-CD2 4.17Å; F625-F654 HydrophobicContact CZ-CG 4.37Å; F625-Y657 HydrophobicContact CE2-CD2 4.27Å; F625-Y657 AromaticContact CZ-CD2 3.89Å; F625-Y657 HydrophobicContact CZ-CD2 3.89Å; F625-Y657 HydrophobicContact CZ-CG 4.4Å; F625-I658 HydrophobicContact CD2-CD1 3.87Å; F625-I658 HydrophobicContact CD2-CG1 3.79Å; F625-I658 HydrophobicContact CE2-CD1 4.05Å; F625-I658 HydrophobicContact CE2-CG1 3.59Å; F625-I658 HydrophobicContact CZ-CG1 4.36Å |
| 626 | C | 90.4 | Very high | 84.4 | Confident | 76 Ų | 76 | 26.3 Ų | 26.3 | 51% | 0.514 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -59.6 | -41.2 | 168.7 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | Y622 S623 F624 L629 | Y622-C626 WeakPolarHBondContact O-CB 3.41Å; Y622-C626 PolarHBondContact O-N 2.82Å; Y622-C626 PolarHBondContact O-SG 3.46Å; S623-C626 WeakPolarHBondContact O-CB 3.45Å; S623-C626 PolarHBondContact O-N 3.37Å; F624-C626 VanDerWaalsContact C-N 3.35Å; F624-C626 PolarHBondContact O-N 3.44Å; C626-L629 WeakPolarHBondContact O-CB 3.37Å; C626-L629 PolarHBondContact O-N 3.06Å |
| 627 | L | 88.9 | Confident | 82.6 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 173.6 | -66.7 | -173.4 | 0 | 0 | 0 | 111.9 | I279 F442 I449 S623 F624 F625 L629 L630 S631 | I279-L627 HydrophobicContact CD1-CD2 4.43Å; F442-L627 HydrophobicContact CB-CD2 4.34Å; F442-L627 HydrophobicContact CD1-CD2 3.3Å; F442-L627 HydrophobicContact CE1-CD2 3.79Å; F442-L627 HydrophobicContact CG-CD2 4.07Å; I449-L627 HydrophobicContact CD1-CD1 3.68Å; S623-L627 VanDerWaalsContact O-CG 3.31Å; S623-L627 WeakPolarHBondContact O-CG 3.4Å; S623-L627 PolarHBondContact O-N 2.91Å; F624-L627 CarbonylContact O-C 3.53Å; F624-L627 WeakPolarHBondContact O-CB 3Å; F624-L627 PolarHBondContact O-N 3.13Å; F624-L627 VanDerWaalsContact O-N 3.17Å; F625-L627 VanDerWaalsContact C-N 3.31Å; F625-L627 PolarHBondContact O-N 3.22Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.33Å; L627-L630 PolarHBondContact O-N 3.34Å; L627-S631 VanDerWaalsContact O-CB 3.27Å; L627-S631 WeakPolarHBondContact O-CB 3.26Å; L627-S631 PolarHBondContact O-N 2.91Å; L627-S631 PolarHBondContact O-OG 3.38Å |
| 628 | C | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.8 | -35.6 | 175.2 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | F412 N446 F624 F625 L630 S631 R632 V650 | F412-C628 HydrophobicContact CZ-CB 4.43Å; N446-C628 PolarHBondContact ND2-SG 3.24Å; F624-C628 PolarHBondContact O-N 3.44Å; F624-C628 PolarHBondContact O-SG 2.82Å; F624-C628 VanDerWaalsContact O-SG 3.37Å; F625-C628 HydrophobicContact CD1-CB 4.48Å; F625-C628 WeakPolarHBondContact O-CB 3.35Å; F625-C628 PolarHBondContact O-N 3.5Å; C628-L630 PolarHBondContact O-N 2.8Å; C628-S631 WeakPolarHBondContact CA-OG 3.27Å; C628-R632 WeakPolarHBondContact O-CB 3.49Å; C628-R632 PolarHBondContact O-N 2.94Å; C628-R632 VanDerWaalsContact O-N 3.1Å; C628-V650 HydrophobicContact CB-CG1 4.21Å |
| 629 | L | 89.9 | Confident | 78.4 | Confident | 20 Ų | 20 | 41.7 Ų | 41.7 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -27.1 | 176.6 | -74.6 | 172.5 | 0 | 0 | 0 | 113.3 | F412 I415 Y416 L419 F625 C626 L627 Q633 | F412-L629 HydrophobicContact CD2-CD1 4.49Å; F412-L629 HydrophobicContact CD2-CD2 3.79Å; F412-L629 HydrophobicContact CD2-CG 4.05Å; F412-L629 HydrophobicContact CE1-CD2 4.5Å; F412-L629 HydrophobicContact CE2-CD1 4.46Å; F412-L629 HydrophobicContact CE2-CD2 3.53Å; F412-L629 HydrophobicContact CE2-CG 3.62Å; F412-L629 HydrophobicContact CG-CD2 4.39Å; F412-L629 HydrophobicContact CZ-CD2 3.9Å; F412-L629 HydrophobicContact CZ-CG 4.31Å; I415-L629 HydrophobicContact CB-CD1 4.35Å; I415-L629 HydrophobicContact CB-CD2 4.22Å; I415-L629 HydrophobicContact CG2-CD1 3.73Å; I415-L629 HydrophobicContact CG2-CD2 4.03Å; I415-L629 HydrophobicContact CG2-CG 4.45Å; Y416-L629 HydrophobicContact CD2-CD2 4.37Å; L419-L629 HydrophobicContact CD1-CB 4.19Å; F625-L629 WeakPolarHBondContact O-CG 3.25Å; F625-L629 PolarHBondContact O-N 3.09Å; C626-L629 WeakPolarHBondContact O-CB 3.37Å; C626-L629 PolarHBondContact O-N 3.06Å; L627-L629 VanDerWaalsContact C-N 3.3Å; L627-L629 PolarHBondContact O-N 3.33Å; L629-Q633 WeakPolarHBondContact O-CG 3.25Å; L629-Q633 PolarHBondContact O-NE2 2.98Å |
| 630 | L | 86.4 | Confident | 76.3 | Confident | 47 Ų | 47 | 45.8 Ų | 45.8 | 25% | 0.246 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -101.4 | -41.8 | -179.9 | -61 | 175.6 | 0 | 0 | 0 | 111.8 | L419 F435 S439 F442 L627 C628 | L419-L630 HydrophobicContact CD1-CD2 4.25Å; F435-L630 HydrophobicContact CE2-CD2 4.14Å; F435-L630 HydrophobicContact CZ-CD2 4.05Å; S439-L630 WeakPolarHBondContact CB-O 3.46Å; S439-L630 PolarHBondContact OG-O 3.32Å; F442-L630 HydrophobicContact CB-CB 4.41Å; F442-L630 HydrophobicContact CD2-CB 3.71Å; F442-L630 HydrophobicContact CD2-CD1 3.6Å; F442-L630 HydrophobicContact CD2-CG 4.3Å; F442-L630 HydrophobicContact CE2-CB 4.33Å; F442-L630 HydrophobicContact CE2-CD1 3.35Å; F442-L630 HydrophobicContact CE2-CG 4.46Å; F442-L630 HydrophobicContact CG-CB 4.32Å; F442-L630 HydrophobicContact CG-CD1 4.39Å; F442-L630 HydrophobicContact CZ-CD1 3.97Å; L627-L630 PolarHBondContact O-N 3.34Å; C628-L630 PolarHBondContact O-N 2.8Å |
| 631 | S | 83.8 | Confident | 74.1 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -78.8 | -28.6 | -172.3 | 58.3 | 0 | 0 | 0 | 0 | 115.1 | S439 M443 L627 C628 | S439-S631 WeakPolarHBondContact O-CA 3.46Å; S439-S631 WeakPolarHBondContact OG-CA 3.47Å; S439-S631 PolarHBondContact OG-O 3.19Å; M443-S631 VanDerWaalsContact CA-CB 3.45Å; L627-S631 VanDerWaalsContact O-CB 3.27Å; L627-S631 WeakPolarHBondContact O-CB 3.26Å; L627-S631 PolarHBondContact O-N 2.91Å; L627-S631 PolarHBondContact O-OG 3.38Å; C628-S631 WeakPolarHBondContact CA-OG 3.27Å |
| 632 | R | 81.9 | Confident | 71.9 | Confident | 67 Ų | 67 | 54.7 Ų | 54.7 | 25% | 0.253 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 23 | -174 | -56.4 | -171.2 | -179.3 | -164.7 | 6.4 | 112.7 | Y416 C628 V650 E653 | Y416-R632 PolarHBondContact OH-O 3.45Å; C628-R632 WeakPolarHBondContact O-CB 3.49Å; C628-R632 PolarHBondContact O-N 2.94Å; C628-R632 VanDerWaalsContact O-N 3.1Å; R632-V650 HydrophobicContact CB-CG2 4Å; R632-V650 HydrophobicContact CG-CG2 4.37Å; R632-E653 IonicContact CZ-OE1 2.68Å; R632-E653 IonicContact CZ-OE2 2.79Å; R632-E653 IonicContact NH1-OE1 2.95Å; R632-E653 PolarHBondContact NH1-OE1 2.97Å; R632-E653 IonicContact NH1-OE2 2.82Å; R632-E653 PolarHBondContact NH1-OE2 2.99Å; R632-E653 VanDerWaalsContact NH2-CD 3.3Å; R632-E653 IonicContact NH2-OE1 3.34Å; R632-E653 PolarHBondContact NH2-OE1 2.76Å; R632-E653 IonicContact NH2-OE2 3.1Å; R632-E653 PolarHBondContact NH2-OE2 3.32Å |
| 633 | Q | 77.7 | Confident | 69.9 | Low | 4 Ų | 4 | 58.4 Ų | 58.4 | 2% | 0.019 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -74.2 | -35.3 | 172.6 | -70.5 | -72.1 | -10 | 0 | 0 | 111.3 | Y416 F435 L629 | Y416-Q633 HydrophobicContact CE2-CG 4.49Å; Y416-Q633 PolarHBondContact O-NE2 2.86Å; Y416-Q633 VanDerWaalsContact O-NE2 3.09Å; F435-Q633 HydrophobicContact CE1-CB 4.05Å; F435-Q633 HydrophobicContact CE1-CG 4.06Å; F435-Q633 HydrophobicContact CZ-CG 4.21Å; L629-Q633 WeakPolarHBondContact O-CG 3.25Å; L629-Q633 PolarHBondContact O-NE2 2.98Å |
| 634 | F | 68.7 | Low | 68.1 | Low | 24 Ų | 24 | 64 Ų | 64 | 11% | 0.105 | 38% | 0.384 | C | S | . | . | trans | -138.2 | 127 | -171 | -53.8 | -64.8 | 0 | 0 | 0 | 111.7 | Y423 H424 F435 | Y423-F634 HydrophobicContact CD1-CD1 4.42Å; Y423-F634 AromaticContact CD1-CE1 3.31Å; Y423-F634 HydrophobicContact CD1-CE1 3.31Å; Y423-F634 AromaticContact CD1-CE2 4Å; Y423-F634 HydrophobicContact CD1-CE2 4Å; Y423-F634 AromaticContact CD1-CZ 3.07Å; Y423-F634 HydrophobicContact CD1-CZ 3.07Å; Y423-F634 HydrophobicContact CD2-CD2 4.43Å; Y423-F634 HydrophobicContact CD2-CE1 4.27Å; Y423-F634 AromaticContact CD2-CE2 3.44Å; Y423-F634 HydrophobicContact CD2-CE2 3.44Å; Y423-F634 VanDerWaalsContact CD2-CE2 3.44Å; Y423-F634 AromaticContact CD2-CZ 3.4Å; Y423-F634 HydrophobicContact CD2-CZ 3.4Å; Y423-F634 VanDerWaalsContact CD2-CZ 3.4Å; Y423-F634 AromaticContact CE1-CD1 4Å; Y423-F634 HydrophobicContact CE1-CD1 4Å; Y423-F634 AromaticContact CE1-CE1 3.26Å; Y423-F634 HydrophobicContact CE1-CE1 3.26Å; Y423-F634 HydrophobicContact CE1-CE2 4.16Å; Y423-F634 AromaticContact CE1-CZ 3.41Å; Y423-F634 HydrophobicContact CE1-CZ 3.41Å; Y423-F634 VanDerWaalsContact CE1-CZ 3.41Å; Y423-F634 HydrophobicContact CE2-CD2 4.18Å; Y423-F634 HydrophobicContact CE2-CE1 4.21Å; Y423-F634 AromaticContact CE2-CE2 3.6Å; Y423-F634 HydrophobicContact CE2-CE2 3.6Å; Y423-F634 AromaticContact CE2-CZ 3.68Å; Y423-F634 HydrophobicContact CE2-CZ 3.68Å; Y423-F634 AromaticContact CG-CE1 3.86Å; Y423-F634 HydrophobicContact CG-CE1 3.86Å; Y423-F634 AromaticContact CG-CE2 3.66Å; Y423-F634 HydrophobicContact CG-CE2 3.66Å; Y423-F634 AromaticContact CG-CZ 3.09Å; Y423-F634 HydrophobicContact CG-CZ 3.09Å; Y423-F634 AromaticContact CZ-CE1 3.74Å; Y423-F634 AromaticContact CZ-CE2 3.97Å; Y423-F634 AromaticContact CZ-CZ 3.7Å; H424-F634 AromaticContact NE2-CE1 3.82Å; F435-F634 AromaticContact CD1-CD2 3.9Å; F435-F634 HydrophobicContact CD1-CD2 3.9Å; F435-F634 AromaticContact CD1-CE2 3.41Å; F435-F634 HydrophobicContact CD1-CE2 3.41Å; F435-F634 VanDerWaalsContact CD1-CE2 3.41Å; F435-F634 AromaticContact CE1-CD2 3.94Å; F435-F634 HydrophobicContact CE1-CD2 3.94Å; F435-F634 AromaticContact CE1-CE2 3.38Å; F435-F634 HydrophobicContact CE1-CE2 3.38Å; F435-F634 HydrophobicContact CE1-CZ 4.47Å | ||
| 635 | N | 55.9 | Low | 66.9 | Low | 111 Ų | 111 | 65.5 Ų | 65.5 | 59% | 0.594 | 39% | 0.392 | S | S | * | . | trans | -90.7 | 111.3 | 162.9 | -74.4 | -19.6 | 0 | 0 | 0 | 106.9 | G637 S638 | N635-G637 PolarHBondContact O-N 3.47Å; N635-S638 PolarHBondContact O-N 3.39Å | ||
| 636 | A | 51.1 | Low | 66.1 | Low | 98 Ų | 98 | 69.1 Ų | 69.1 | 81% | 0.81 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 9.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 637 | G | 49.6 | Very low | 65.8 | Low | 74 Ų | 74 | 66 Ų | 66 | 76% | 0.763 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.8 | 0.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | N635 | N635-G637 PolarHBondContact O-N 3.47Š|
| 638 | S | 47.4 | Very low | 65.6 | Low | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 42% | 0.418 | S | S | . | . | trans | -114.7 | 66.4 | -167.7 | 62.5 | 0 | 0 | 0 | 0 | 115.5 | N635 A640 E642 | N635-S638 PolarHBondContact O-N 3.39Å; S638-A640 PolarHBondContact O-N 3.38Å; S638-E642 WeakPolarHBondContact CA-OE1 3.44Å; S638-E642 PolarHBondContact N-OE1 3.01Å; S638-E642 WeakPolarHBondContact O-CG 3.35Å; S638-E642 PolarHBondContact OG-OE1 3.2Å | ||
| 639 | K | 48.7 | Very low | 65.3 | Low | 210 Ų | 210 | 79 Ų | 79 | 91% | 0.913 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.9 | -19.9 | 179.6 | -72.9 | -172.2 | 177.7 | -178.6 | 0 | 116.6 | ||
| 640 | A | 45.4 | Very low | 65.3 | Low | 100 Ų | 100 | 78.4 Ų | 78.4 | 83% | 0.826 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | -21.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | S638 | S638-A640 PolarHBondContact O-N 3.38Š|
| 641 | L | 41.9 | Very low | 65.6 | Low | 138 Ų | 138 | 77.6 Ų | 77.6 | 72% | 0.723 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.7 | 179.7 | -144.3 | 76.1 | 0 | 0 | 0 | 113 | S643 N645 | L641-S643 PolarHBondContact O-N 3.37Å; L641-N645 PolarHBondContact O-OD1 3.31Å |
| 642 | E | 47.4 | Very low | 65.9 | Low | 51 Ų | 51 | 80 Ų | 80 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -80.4 | -11.7 | -156.1 | -83.9 | 168.9 | -165.4 | 0 | 0 | 117.6 | S638 I644 N645 | S638-E642 WeakPolarHBondContact CA-OE1 3.44Å; S638-E642 PolarHBondContact N-OE1 3.01Å; S638-E642 WeakPolarHBondContact O-CG 3.35Å; S638-E642 PolarHBondContact OG-OE1 3.2Å; E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 3.18Å; E642-N645 WeakPolarHBondContact CG-ND2 3.44Å |
| 643 | S | 49.9 | Very low | 66.4 | Low | 119 Ų | 119 | 78.8 Ų | 78.8 | 83% | 0.832 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -74.9 | -18.8 | -172.7 | 65 | 0 | 0 | 0 | 0 | 114.5 | L641 | L641-S643 PolarHBondContact O-N 3.37Š|
| 644 | I | 51.7 | Low | 67.2 | Low | 136 Ų | 136 | 78.9 Ų | 78.9 | 70% | 0.697 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -145.3 | 58.4 | 177.5 | -48.3 | 175.9 | 0 | 0 | 0 | 108.8 | E642 V646 | E642-I644 VanDerWaalsContact C-N 3.32Å; E642-I644 PolarHBondContact O-N 3.18Å; I644-V646 VanDerWaalsContact C-N 3.35Å; I644-V646 PolarHBondContact O-N 3.22Å |
| 645 | N | 65.7 | Low | 68.4 | Low | 44 Ų | 44 | 79.1 Ų | 79.1 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | trans | -74.2 | 87.9 | -179.9 | -88 | -16.8 | 0 | 0 | 0 | 110.5 | L641 E642 P647 | L641-N645 PolarHBondContact O-OD1 3.31Å; E642-N645 WeakPolarHBondContact CG-ND2 3.44Å; N645-P647 VanDerWaalsContact O-CD 3.28Å; N645-P647 WeakPolarHBondContact O-CD 3.48Å | ||
| 646 | V | 75.5 | Confident | 70.1 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | trans | -59.6 | 118.2 | 161 | 177.4 | 0 | 0 | 0 | 0 | 107 | I644 F648 I651 | I644-V646 VanDerWaalsContact C-N 3.35Å; I644-V646 PolarHBondContact O-N 3.22Å; V646-F648 PolarHBondContact O-N 3.01Å; V646-I651 HydrophobicContact CG1-CD1 3.79Å | ||
| 647 | P | 84.4 | Confident | 72.2 | Confident | 12 Ų | 12 | 77.2 Ų | 77.2 | 8% | 0.078 | 42% | 0.423 | C | S | . | . | trans | -78.4 | 68 | -173 | 33.4 | -37.5 | 0 | 0 | 0 | 110.8 | L413 Y416 N645 F649 V650 I651 | L413-P647 HydrophobicContact CD2-CG 4.16Å; Y416-P647 HydrophobicContact CD1-CG 3.93Å; Y416-P647 HydrophobicContact CE1-CB 3.96Å; Y416-P647 HydrophobicContact CE1-CG 3.65Å; Y416-P647 HydrophobicContact CE2-CB 4.2Å; Y416-P647 HydrophobicContact CE2-CG 4.37Å; Y416-P647 HydrophobicContact CG-CG 4.41Å; N645-P647 VanDerWaalsContact O-CD 3.28Å; N645-P647 WeakPolarHBondContact O-CD 3.48Å; P647-F649 PolarHBondContact O-N 3.4Å; P647-V650 HydrophobicContact CB-CB 4.02Å; P647-V650 HydrophobicContact CB-CG2 3.95Å; P647-V650 WeakPolarHBondContact O-CB 3.4Å; P647-V650 PolarHBondContact O-N 3.43Å; P647-I651 HydrophobicContact CG-CD1 4.2Å; P647-I651 HydrophobicContact CG-CG1 4.27Å; P647-I651 WeakPolarHBondContact O-CG1 3.47Å; P647-I651 PolarHBondContact O-N 3.46Å | ||
| 648 | F | 83.9 | Confident | 74.3 | Confident | 124 Ų | 124 | 73.8 Ų | 73.8 | 54% | 0.544 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -54 | -50.6 | -167.4 | 178.9 | -99.8 | 0 | 0 | 0 | 113.4 | V646 V650 I651 L652 | V646-F648 PolarHBondContact O-N 3.01Å; F648-V650 VanDerWaalsContact C-N 3.32Å; F648-V650 PolarHBondContact O-N 2.88Å; F648-I651 WeakPolarHBondContact O-CB 3.44Å; F648-I651 PolarHBondContact O-N 3.3Å; F648-L652 HydrophobicContact CD1-CD1 4Å; F648-L652 HydrophobicContact CE1-CD1 3.37Å; F648-L652 HydrophobicContact CE1-CG 4.14Å; F648-L652 HydrophobicContact CZ-CD1 3.71Å; F648-L652 HydrophobicContact CZ-CG 4.19Å; F648-L652 PolarHBondContact O-N 3.19Å |
| 649 | F | 84.8 | Confident | 76.5 | Confident | 153 Ų | 153 | 71.9 Ų | 71.9 | 67% | 0.671 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.5 | -34.1 | 179.3 | -70 | -72.4 | 0 | 0 | 0 | 112.8 | P647 L652 E653 | P647-F649 PolarHBondContact O-N 3.4Å; F649-L652 PolarHBondContact O-N 2.91Å; F649-E653 WeakPolarHBondContact O-CG 3.35Å; F649-E653 PolarHBondContact O-N 3.24Å |
| 650 | V | 89.5 | Confident | 78.7 | Confident | 8 Ų | 8 | 65.2 Ų | 65.2 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.4 | -40.3 | 175.4 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | F412 C628 R632 P647 F648 L652 E653 F654 | F412-V650 HydrophobicContact CE1-CG1 3.7Å; F412-V650 HydrophobicContact CZ-CG1 3.54Å; C628-V650 HydrophobicContact CB-CG1 4.21Å; R632-V650 HydrophobicContact CB-CG2 4Å; R632-V650 HydrophobicContact CG-CG2 4.37Å; P647-V650 HydrophobicContact CB-CB 4.02Å; P647-V650 HydrophobicContact CB-CG2 3.95Å; P647-V650 WeakPolarHBondContact O-CB 3.4Å; P647-V650 PolarHBondContact O-N 3.43Å; F648-V650 VanDerWaalsContact C-N 3.32Å; F648-V650 PolarHBondContact O-N 2.88Å; V650-L652 VanDerWaalsContact C-N 3.34Å; V650-E653 PolarHBondContact O-N 3.21Å; V650-F654 VanDerWaalsContact O-CB 3.27Å; V650-F654 WeakPolarHBondContact O-CB 3.4Å; V650-F654 PolarHBondContact O-N 3.26Å |
| 651 | I | 91.9 | Very high | 81.1 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.159 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 174.4 | -66.9 | 164.8 | 0 | 0 | 0 | 110.2 | L409 L413 V646 P647 F648 F654 I655 | L409-I651 HydrophobicContact CD1-CG1 4.49Å; L409-I651 HydrophobicContact CD1-CG2 4.34Å; L409-I651 HydrophobicContact CD2-CG2 4.44Å; L413-I651 HydrophobicContact CD2-CD1 4.06Å; L413-I651 HydrophobicContact CD2-CG1 4.01Å; V646-I651 HydrophobicContact CG1-CD1 3.79Å; P647-I651 HydrophobicContact CG-CD1 4.2Å; P647-I651 HydrophobicContact CG-CG1 4.27Å; P647-I651 WeakPolarHBondContact O-CG1 3.47Å; P647-I651 PolarHBondContact O-N 3.46Å; F648-I651 WeakPolarHBondContact O-CB 3.44Å; F648-I651 PolarHBondContact O-N 3.3Å; I651-F654 WeakPolarHBondContact O-CB 3.24Å; I651-F654 PolarHBondContact O-N 2.73Å; I651-I655 HydrophobicContact CG2-CD1 3.92Å; I651-I655 VanDerWaalsContact O-CG1 3.24Å; I651-I655 WeakPolarHBondContact O-CG1 3.26Å; I651-I655 PolarHBondContact O-N 2.85Å |
| 652 | L | 91.1 | Very high | 83.5 | Confident | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.4 | -48 | 175.9 | -73.9 | -179.8 | 0 | 0 | 0 | 112.4 | F648 F649 V650 F654 I655 F656 | F648-L652 HydrophobicContact CD1-CD1 4Å; F648-L652 HydrophobicContact CE1-CD1 3.37Å; F648-L652 HydrophobicContact CE1-CG 4.14Å; F648-L652 HydrophobicContact CZ-CD1 3.71Å; F648-L652 HydrophobicContact CZ-CG 4.19Å; F648-L652 PolarHBondContact O-N 3.19Å; F649-L652 PolarHBondContact O-N 2.91Å; V650-L652 VanDerWaalsContact C-N 3.34Å; L652-F654 VanDerWaalsContact C-N 3.28Å; L652-F654 PolarHBondContact O-N 3.26Å; L652-I655 WeakPolarHBondContact O-CB 3.31Å; L652-I655 PolarHBondContact O-N 3.36Å; L652-F656 HydrophobicContact CB-CE2 4.24Å; L652-F656 WeakPolarHBondContact O-CD2 3.34Å; L652-F656 VanDerWaalsContact O-CG 3.32Å; L652-F656 WeakPolarHBondContact O-CG 3.48Å; L652-F656 PolarHBondContact O-N 3.48Å |
| 653 | E | 91.5 | Very high | 85.6 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -39.4 | 175.2 | -74.2 | 175 | -161.3 | 0 | 0 | 111.9 | F624 F625 R632 F649 V650 F656 Y657 | F624-E653 VanDerWaalsContact CZ-OE2 3.27Å; F624-E653 WeakPolarHBondContact CZ-OE2 3.38Å; F625-E653 HydrophobicContact CE1-CB 4.44Å; R632-E653 IonicContact CZ-OE1 2.68Å; R632-E653 IonicContact CZ-OE2 2.79Å; R632-E653 IonicContact NH1-OE1 2.95Å; R632-E653 PolarHBondContact NH1-OE1 2.97Å; R632-E653 IonicContact NH1-OE2 2.82Å; R632-E653 PolarHBondContact NH1-OE2 2.99Å; R632-E653 VanDerWaalsContact NH2-CD 3.3Å; R632-E653 IonicContact NH2-OE1 3.34Å; R632-E653 PolarHBondContact NH2-OE1 2.76Å; R632-E653 IonicContact NH2-OE2 3.1Å; R632-E653 PolarHBondContact NH2-OE2 3.32Å; F649-E653 WeakPolarHBondContact O-CG 3.35Å; F649-E653 PolarHBondContact O-N 3.24Å; V650-E653 PolarHBondContact O-N 3.21Å; E653-F656 PolarHBondContact O-N 2.59Å; E653-Y657 HydrophobicContact CB-CD2 4.38Å; E653-Y657 HydrophobicContact CB-CE2 4.26Å; E653-Y657 HydrophobicContact CG-CE2 4.4Å; E653-Y657 PolarHBondContact O-N 2.82Å |
| 654 | F | 94.4 | Very high | 87.7 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59 | -49.4 | 173.7 | -163.4 | -77.7 | 0 | 0 | 0 | 111 | D408 L409 F412 F625 V650 I651 L652 F656 I658 | D408-F654 VanDerWaalsContact C-CZ 3.48Å; D408-F654 HydrophobicContact CB-CE1 4.03Å; D408-F654 HydrophobicContact CB-CZ 3.84Å; D408-F654 WeakPolarHBondContact O-CZ 3.19Å; L409-F654 HydrophobicContact CB-CD1 4.05Å; L409-F654 HydrophobicContact CB-CE1 3.79Å; L409-F654 HydrophobicContact CD1-CB 4.3Å; L409-F654 HydrophobicContact CD1-CD1 3.75Å; L409-F654 HydrophobicContact CD1-CE1 4.22Å; L409-F654 HydrophobicContact CD1-CG 3.98Å; L409-F654 HydrophobicContact CG-CD1 4.47Å; F412-F654 HydrophobicContact CB-CD2 4.13Å; F412-F654 HydrophobicContact CB-CE2 3.48Å; F412-F654 VanDerWaalsContact CB-CE2 3.48Å; F412-F654 HydrophobicContact CB-CZ 3.93Å; F412-F654 AromaticContact CD1-CD2 3.99Å; F412-F654 HydrophobicContact CD1-CD2 3.99Å; F412-F654 HydrophobicContact CD1-CE2 4.22Å; F412-F654 AromaticContact CD2-CD2 3.92Å; F412-F654 HydrophobicContact CD2-CD2 3.92Å; F412-F654 AromaticContact CD2-CE2 3.67Å; F412-F654 HydrophobicContact CD2-CE2 3.67Å; F412-F654 HydrophobicContact CE1-CD2 4.44Å; F412-F654 HydrophobicContact CE2-CD2 4.35Å; F412-F654 HydrophobicContact CE2-CE2 4.48Å; F412-F654 AromaticContact CG-CD2 3.73Å; F412-F654 HydrophobicContact CG-CD2 3.73Å; F412-F654 AromaticContact CG-CE2 3.51Å; F412-F654 HydrophobicContact CG-CE2 3.51Å; F412-F654 HydrophobicContact CG-CZ 4.41Å; F625-F654 HydrophobicContact CD1-CB 4.43Å; F625-F654 AromaticContact CD1-CD2 3.56Å; F625-F654 HydrophobicContact CD1-CD2 3.56Å; F625-F654 HydrophobicContact CD1-CE2 4.29Å; F625-F654 HydrophobicContact CD1-CG 4.42Å; F625-F654 HydrophobicContact CD2-CD2 4.28Å; F625-F654 VanDerWaalsContact CE1-CA 3.49Å; F625-F654 HydrophobicContact CE1-CB 3.75Å; F625-F654 AromaticContact CE1-CD2 3.71Å; F625-F654 HydrophobicContact CE1-CD2 3.71Å; F625-F654 HydrophobicContact CE1-CG 4.13Å; F625-F654 HydrophobicContact CE2-CD2 4.41Å; F625-F654 AromaticContact CG-CD2 3.89Å; F625-F654 HydrophobicContact CG-CD2 3.89Å; F625-F654 HydrophobicContact CG-CE2 4.2Å; F625-F654 HydrophobicContact CZ-CB 4.07Å; F625-F654 HydrophobicContact CZ-CD2 4.17Å; F625-F654 HydrophobicContact CZ-CG 4.37Å; V650-F654 VanDerWaalsContact O-CB 3.27Å; V650-F654 WeakPolarHBondContact O-CB 3.4Å; V650-F654 PolarHBondContact O-N 3.26Å; I651-F654 WeakPolarHBondContact O-CB 3.24Å; I651-F654 PolarHBondContact O-N 2.73Å; L652-F654 VanDerWaalsContact C-N 3.28Å; L652-F654 PolarHBondContact O-N 3.26Å; F654-F656 VanDerWaalsContact C-N 3.26Å; F654-F656 PolarHBondContact O-N 2.96Å; F654-I658 HydrophobicContact CD1-CB 3.96Å; F654-I658 HydrophobicContact CD1-CG1 3.95Å; F654-I658 HydrophobicContact CD1-CG2 4.44Å; F654-I658 HydrophobicContact CD2-CG1 4.05Å; F654-I658 HydrophobicContact CE1-CB 3.81Å; F654-I658 HydrophobicContact CE1-CG1 3.75Å; F654-I658 HydrophobicContact CE1-CG2 3.84Å; F654-I658 HydrophobicContact CE2-CG1 3.84Å; F654-I658 HydrophobicContact CG-CG1 4.1Å; F654-I658 HydrophobicContact CZ-CB 4.24Å; F654-I658 HydrophobicContact CZ-CD1 4.4Å; F654-I658 HydrophobicContact CZ-CG1 3.69Å; F654-I658 HydrophobicContact CZ-CG2 4.24Å; F654-I658 WeakPolarHBondContact O-CA 3.46Å; F654-I658 VanDerWaalsContact O-CB 3.23Å; F654-I658 WeakPolarHBondContact O-CB 3.21Å; F654-I658 PolarHBondContact O-N 3.11Å |
| 655 | I | 93.9 | Very high | 89.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -41.9 | 176.1 | -67.2 | 162.2 | 0 | 0 | 0 | 110.8 | V401 I405 I651 L652 G659 | V401-I655 HydrophobicContact CG1-CG2 4.29Å; I405-I655 HydrophobicContact CD1-CB 4.08Å; I405-I655 HydrophobicContact CD1-CG1 3.69Å; I405-I655 HydrophobicContact CD1-CG2 4.18Å; I651-I655 HydrophobicContact CG2-CD1 3.92Å; I651-I655 VanDerWaalsContact O-CG1 3.24Å; I651-I655 WeakPolarHBondContact O-CG1 3.26Å; I651-I655 PolarHBondContact O-N 2.85Å; L652-I655 WeakPolarHBondContact O-CB 3.31Å; L652-I655 PolarHBondContact O-N 3.36Å; I655-G659 WeakPolarHBondContact O-CA 3.31Å; I655-G659 PolarHBondContact O-N 3.44Å |
| 656 | F | 92.4 | Very high | 90.7 | Very high | 121 Ų | 121 | 40.1 Ų | 40.1 | 53% | 0.531 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -73.9 | -52.7 | -178.6 | -60.9 | -36 | 0 | 0 | 0 | 113.3 | L652 E653 F654 L660 | L652-F656 HydrophobicContact CB-CE2 4.24Å; L652-F656 WeakPolarHBondContact O-CD2 3.34Å; L652-F656 VanDerWaalsContact O-CG 3.32Å; L652-F656 WeakPolarHBondContact O-CG 3.48Å; L652-F656 PolarHBondContact O-N 3.48Å; E653-F656 PolarHBondContact O-N 2.59Å; F654-F656 VanDerWaalsContact C-N 3.26Å; F654-F656 PolarHBondContact O-N 2.96Å; F656-L660 VanDerWaalsContact O-CB 3.27Å; F656-L660 WeakPolarHBondContact O-CB 3.21Å; F656-L660 VanDerWaalsContact O-CG 3.26Å; F656-L660 WeakPolarHBondContact O-CG 3.29Å; F656-L660 PolarHBondContact O-N 3.32Å |
| 657 | Y | 94.6 | Very high | 91.5 | Very high | 49 Ų | 49 | 37.6 Ų | 37.6 | 19% | 0.192 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -79.6 | -45.4 | -173.1 | -59.5 | -27.6 | 0 | 0 | 0 | 112.7 | I451 T452 L455 F624 F625 E653 G659 L661 | I451-Y657 HydrophobicContact CD1-CD2 4.45Å; I451-Y657 HydrophobicContact CG2-CD1 4.31Å; I451-Y657 HydrophobicContact CG2-CD2 4.3Å; I451-Y657 HydrophobicContact CG2-CG 4.08Å; T452-Y657 HydrophobicContact CG2-CE1 3.84Å; T452-Y657 WeakPolarHBondContact CG2-OH 3.42Å; L455-Y657 HydrophobicContact CD2-CD1 4.39Å; L455-Y657 WeakPolarHBondContact CD2-O 3.33Å; F624-Y657 HydrophobicContact CD1-CD2 4.12Å; F624-Y657 HydrophobicContact CD1-CE2 4.48Å; F624-Y657 AromaticContact CE1-CD2 3.66Å; F624-Y657 HydrophobicContact CE1-CD2 3.66Å; F624-Y657 AromaticContact CE1-CE2 3.72Å; F624-Y657 HydrophobicContact CE1-CE2 3.72Å; F624-Y657 HydrophobicContact CZ-CD2 4.18Å; F624-Y657 AromaticContact CZ-CE2 3.75Å; F624-Y657 HydrophobicContact CZ-CE2 3.75Å; F625-Y657 HydrophobicContact CE2-CD2 4.27Å; F625-Y657 AromaticContact CZ-CD2 3.89Å; F625-Y657 HydrophobicContact CZ-CD2 3.89Å; F625-Y657 HydrophobicContact CZ-CG 4.4Å; E653-Y657 HydrophobicContact CB-CD2 4.38Å; E653-Y657 HydrophobicContact CB-CE2 4.26Å; E653-Y657 HydrophobicContact CG-CE2 4.4Å; E653-Y657 PolarHBondContact O-N 2.82Å; Y657-G659 VanDerWaalsContact C-N 3.3Å; Y657-L661 WeakPolarHBondContact O-CB 3.35Å; Y657-L661 PolarHBondContact O-N 3.37Å |
| 658 | I | 94.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69 | -36.4 | 172.7 | -62.3 | -74.1 | 0 | 0 | 0 | 109.4 | I405 D408 V621 Y622 F625 F654 L661 K662 | I405-I658 HydrophobicContact CB-CG2 4.34Å; I405-I658 HydrophobicContact CG2-CG2 3.91Å; D408-I658 HydrophobicContact CB-CG2 4.35Å; V621-I658 HydrophobicContact CG1-CD1 3.53Å; V621-I658 HydrophobicContact CG1-CG1 4.27Å; Y622-I658 HydrophobicContact CE1-CD1 4.44Å; F625-I658 HydrophobicContact CD2-CD1 3.87Å; F625-I658 HydrophobicContact CD2-CG1 3.79Å; F625-I658 HydrophobicContact CE2-CD1 4.05Å; F625-I658 HydrophobicContact CE2-CG1 3.59Å; F625-I658 HydrophobicContact CZ-CG1 4.36Å; F654-I658 HydrophobicContact CD1-CB 3.96Å; F654-I658 HydrophobicContact CD1-CG1 3.95Å; F654-I658 HydrophobicContact CD1-CG2 4.44Å; F654-I658 HydrophobicContact CD2-CG1 4.05Å; F654-I658 HydrophobicContact CE1-CB 3.81Å; F654-I658 HydrophobicContact CE1-CG1 3.75Å; F654-I658 HydrophobicContact CE1-CG2 3.84Å; F654-I658 HydrophobicContact CE2-CG1 3.84Å; F654-I658 HydrophobicContact CG-CG1 4.1Å; F654-I658 HydrophobicContact CZ-CB 4.24Å; F654-I658 HydrophobicContact CZ-CD1 4.4Å; F654-I658 HydrophobicContact CZ-CG1 3.69Å; F654-I658 HydrophobicContact CZ-CG2 4.24Å; F654-I658 WeakPolarHBondContact O-CA 3.46Å; F654-I658 VanDerWaalsContact O-CB 3.23Å; F654-I658 WeakPolarHBondContact O-CB 3.21Å; F654-I658 PolarHBondContact O-N 3.11Å; I658-L661 PolarHBondContact O-N 3.36Å; I658-K662 HydrophobicContact CG2-CG 4.02Å; I658-K662 WeakPolarHBondContact O-CB 3.34Å; I658-K662 WeakPolarHBondContact O-CG 3.43Å; I658-K662 PolarHBondContact O-N 2.99Å |
| 659 | G | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -51.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | V401 I655 Y657 L661 K662 V663 | V401-G659 VanDerWaalsContact CG2-CA 3.42Å; I655-G659 WeakPolarHBondContact O-CA 3.31Å; I655-G659 PolarHBondContact O-N 3.44Å; Y657-G659 VanDerWaalsContact C-N 3.3Å; G659-L661 PolarHBondContact O-N 2.96Å; G659-K662 PolarHBondContact O-N 3.48Å; G659-V663 VanDerWaalsContact O-CG2 3.3Å; G659-V663 WeakPolarHBondContact O-CG2 3.3Å; G659-V663 PolarHBondContact O-N 2.87Å |
| 660 | L | 94.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 24.4 Ų | 24.4 | 36% | 0.361 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 176.5 | -79.6 | 172.4 | 0 | 0 | 0 | 112.6 | L455 V459 F656 K662 V663 A664 | L455-L660 HydrophobicContact CD1-CB 4.39Å; L455-L660 HydrophobicContact CD2-CB 3.6Å; L455-L660 HydrophobicContact CD2-CD1 4.18Å; L455-L660 HydrophobicContact CG-CB 3.93Å; V459-L660 HydrophobicContact CG2-CB 4.32Å; V459-L660 HydrophobicContact CG2-CD2 4.47Å; F656-L660 VanDerWaalsContact O-CB 3.27Å; F656-L660 WeakPolarHBondContact O-CB 3.21Å; F656-L660 VanDerWaalsContact O-CG 3.26Å; F656-L660 WeakPolarHBondContact O-CG 3.29Å; F656-L660 PolarHBondContact O-N 3.32Å; L660-K662 VanDerWaalsContact C-N 3.34Å; L660-K662 PolarHBondContact O-N 2.97Å; L660-V663 PolarHBondContact O-N 2.73Å; L660-A664 PolarHBondContact O-N 2.75Å |
| 661 | L | 95.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.1 | -42.8 | 175 | -176.3 | 66.3 | 0 | 0 | 0 | 111.4 | F17 L455 V617 V621 Y622 Y657 I658 G659 A664 Q665 | F17-L661 HydrophobicContact CD2-CD1 3.84Å; F17-L661 HydrophobicContact CD2-CD2 4.38Å; F17-L661 HydrophobicContact CD2-CG 4Å; F17-L661 HydrophobicContact CE2-CD1 3.79Å; F17-L661 HydrophobicContact CE2-CG 4.21Å; L455-L661 HydrophobicContact CD1-CB 4.1Å; L455-L661 HydrophobicContact CD1-CD1 4.15Å; V617-L661 HydrophobicContact CG1-CD1 3.92Å; V621-L661 HydrophobicContact CB-CD2 3.99Å; V621-L661 HydrophobicContact CG1-CD2 3.94Å; V621-L661 HydrophobicContact CG2-CD2 4.31Å; Y622-L661 HydrophobicContact CD2-CD2 4.3Å; Y622-L661 HydrophobicContact CE2-CD2 3.88Å; Y657-L661 WeakPolarHBondContact O-CB 3.35Å; Y657-L661 PolarHBondContact O-N 3.37Å; I658-L661 PolarHBondContact O-N 3.36Å; G659-L661 PolarHBondContact O-N 2.96Å; L661-A664 PolarHBondContact O-N 3Å; L661-Q665 PolarHBondContact O-N 2.66Å |
| 662 | K | 92.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.4 | -36 | 176.8 | -66.1 | -73.6 | -175.7 | 171.4 | 0 | 111.9 | V12 I404 I405 D408 I658 G659 L660 A664 Q665 V666 | V12-K662 HydrophobicContact CG1-CD 3.8Å; I404-K662 HydrophobicContact CB-CB 4.41Å; I404-K662 HydrophobicContact CD1-CB 3.58Å; I404-K662 HydrophobicContact CG1-CB 3.94Å; I405-K662 HydrophobicContact CG2-CG 4.13Å; D408-K662 VanDerWaalsContact CG-NZ 3.3Å; D408-K662 WeakPolarHBondContact OD1-CE 3.13Å; D408-K662 IonicContact OD1-NZ 2.72Å; D408-K662 PolarHBondContact OD1-NZ 3.11Å; D408-K662 VanDerWaalsContact OD2-CE 3.25Å; D408-K662 WeakPolarHBondContact OD2-CE 2.99Å; D408-K662 IonicContact OD2-NZ 2.78Å; D408-K662 PolarHBondContact OD2-NZ 3.26Å; I658-K662 HydrophobicContact CG2-CG 4.02Å; I658-K662 WeakPolarHBondContact O-CB 3.34Å; I658-K662 WeakPolarHBondContact O-CG 3.43Å; I658-K662 PolarHBondContact O-N 2.99Å; G659-K662 PolarHBondContact O-N 3.48Å; L660-K662 VanDerWaalsContact C-N 3.34Å; L660-K662 PolarHBondContact O-N 2.97Å; K662-A664 VanDerWaalsContact C-N 3.35Å; K662-Q665 WeakPolarHBondContact O-CB 3.36Å; K662-Q665 PolarHBondContact O-N 3.45Å; K662-Q665 VanDerWaalsContact O-N 3.14Å; K662-V666 WeakPolarHBondContact O-CG2 3.26Å; K662-V666 PolarHBondContact O-N 2.82Å |
| 663 | V | 92.2 | Very high | 91.2 | Very high | 54 Ų | 54 | 22.6 Ų | 22.6 | 33% | 0.327 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -58.8 | -48.3 | 170.8 | 168.1 | 0 | 0 | 0 | 0 | 109.9 | G659 L660 Q665 V666 L667 | G659-V663 VanDerWaalsContact O-CG2 3.3Å; G659-V663 WeakPolarHBondContact O-CG2 3.3Å; G659-V663 PolarHBondContact O-N 2.87Å; L660-V663 PolarHBondContact O-N 2.73Å; V663-Q665 VanDerWaalsContact C-N 3.26Å; V663-Q665 PolarHBondContact O-N 2.96Å; V663-V666 PolarHBondContact O-N 3.36Å; V663-L667 HydrophobicContact CG1-CD1 3.87Å; V663-L667 HydrophobicContact CG1-CG 4.33Å; V663-L667 VanDerWaalsContact O-CG 3.28Å; V663-L667 WeakPolarHBondContact O-CG 3.27Å; V663-L667 PolarHBondContact O-N 3.3Å |
| 664 | A | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F458 V459 V462 L660 L661 K662 L667 L668 | F458-A664 HydrophobicContact CD1-CB 3.76Å; F458-A664 HydrophobicContact CE1-CB 3.56Å; V459-A664 HydrophobicContact CG2-CB 3.96Å; V462-A664 WeakPolarHBondContact CG1-O 3.41Å; L660-A664 PolarHBondContact O-N 2.75Å; L661-A664 PolarHBondContact O-N 3Å; K662-A664 VanDerWaalsContact C-N 3.35Å; A664-L667 PolarHBondContact O-N 2.92Å; A664-L668 WeakPolarHBondContact O-CB 3.44Å; A664-L668 PolarHBondContact O-N 2.85Å |
| 665 | Q | 90.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.3 | -47.8 | 175.3 | -176.3 | -178 | -15.3 | 0 | 0 | 112.7 | V12 F17 L661 K662 V663 L668 | V12-Q665 HydrophobicContact CG2-CB 4.24Å; V12-Q665 HydrophobicContact CG2-CG 3.81Å; F17-Q665 HydrophobicContact CD1-CB 4.26Å; F17-Q665 HydrophobicContact CD1-CG 3.76Å; F17-Q665 HydrophobicContact CD2-CB 4.49Å; F17-Q665 HydrophobicContact CE1-CB 3.69Å; F17-Q665 HydrophobicContact CE1-CG 3.4Å; F17-Q665 HydrophobicContact CE2-CB 3.92Å; F17-Q665 HydrophobicContact CE2-CG 4.46Å; F17-Q665 HydrophobicContact CG-CG 4.48Å; F17-Q665 HydrophobicContact CZ-CB 3.49Å; F17-Q665 VanDerWaalsContact CZ-CB 3.49Å; F17-Q665 HydrophobicContact CZ-CG 3.79Å; L661-Q665 PolarHBondContact O-N 2.66Å; K662-Q665 WeakPolarHBondContact O-CB 3.36Å; K662-Q665 PolarHBondContact O-N 3.45Å; K662-Q665 VanDerWaalsContact O-N 3.14Å; V663-Q665 VanDerWaalsContact C-N 3.26Å; V663-Q665 PolarHBondContact O-N 2.96Å; Q665-L668 PolarHBondContact O-N 3.17Å |
| 666 | V | 89.2 | Confident | 89.6 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.9 | -49.2 | 175.8 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | V12 K662 V663 L668 N669 D674 D676 | V12-V666 HydrophobicContact CB-CG2 4.3Å; V12-V666 HydrophobicContact CG2-CB 4.18Å; V12-V666 HydrophobicContact CG2-CG2 3.34Å; K662-V666 WeakPolarHBondContact O-CG2 3.26Å; K662-V666 PolarHBondContact O-N 2.82Å; V663-V666 PolarHBondContact O-N 3.36Å; V666-L668 PolarHBondContact O-N 3.31Å; V666-N669 CarbonylContact O-C 3.46Å; V666-N669 PolarHBondContact O-N 3.01Å; V666-D674 HydrophobicContact CG1-CB 4.22Å; V666-D676 HydrophobicContact CG1-CB 3.88Å |
| 667 | L | 92.3 | Very high | 89.3 | Confident | 29 Ų | 29 | 17.6 Ų | 17.6 | 15% | 0.152 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.8 | -20.5 | -175.7 | -63.8 | 179 | 0 | 0 | 0 | 113.5 | V462 A463 W466 V663 A664 | V462-L667 HydrophobicContact CG1-CB 3.63Å; A463-L667 HydrophobicContact CB-CD1 4.13Å; W466-L667 HydrophobicContact CB-CB 4.23Å; W466-L667 HydrophobicContact CB-CD2 4.38Å; W466-L667 HydrophobicContact CD2-CD2 3.85Å; W466-L667 HydrophobicContact CG-CB 4.25Å; W466-L667 HydrophobicContact CG-CD2 3.7Å; V663-L667 HydrophobicContact CG1-CD1 3.87Å; V663-L667 HydrophobicContact CG1-CG 4.33Å; V663-L667 VanDerWaalsContact O-CG 3.28Å; V663-L667 WeakPolarHBondContact O-CG 3.27Å; V663-L667 PolarHBondContact O-N 3.3Å; A664-L667 PolarHBondContact O-N 2.92Å |
| 668 | L | 89.8 | Confident | 89 | Confident | 8 Ų | 8 | 16 Ų | 16 | 4% | 0.042 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69.1 | -34.4 | -178.4 | -166.2 | 144.8 | 0 | 0 | 0 | 112.1 | Y5 C9 F17 F458 V462 V609 A664 Q665 V666 | Y5-L668 HydrophobicContact CD2-CD2 4.27Å; Y5-L668 HydrophobicContact CE2-CD1 4Å; Y5-L668 HydrophobicContact CE2-CD2 3.51Å; Y5-L668 HydrophobicContact CE2-CG 4.42Å; C9-L668 HydrophobicContact CB-CD2 4.13Å; F17-L668 HydrophobicContact CZ-CD1 4.49Å; F458-L668 HydrophobicContact CZ-CD1 4.29Å; V462-L668 HydrophobicContact CG1-CB 4.18Å; V609-L668 HydrophobicContact CB-CD1 4.44Å; A664-L668 WeakPolarHBondContact O-CB 3.44Å; A664-L668 PolarHBondContact O-N 2.85Å; Q665-L668 PolarHBondContact O-N 3.17Å; V666-L668 PolarHBondContact O-N 3.31Å |
| 669 | N | 88.3 | Confident | 88.4 | Confident | 4 Ų | 4 | 17.1 Ų | 17.1 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | trans | -128.1 | 86.7 | 173.8 | -176.3 | 3.8 | 0 | 0 | 0 | 111.6 | T6 C9 A10 V666 F671 G672 | T6-N669 HydrophobicContact CG2-CB 3.94Å; T6-N669 PolarHBondContact O-ND2 3.04Å; C9-N669 HydrophobicContact CB-CB 4.03Å; A10-N669 VanDerWaalsContact CA-ND2 3.27Å; A10-N669 WeakPolarHBondContact CA-ND2 3.09Å; A10-N669 PolarHBondContact N-ND2 3.06Å; V666-N669 CarbonylContact O-C 3.46Å; V666-N669 PolarHBondContact O-N 3.01Å; N669-F671 PolarHBondContact O-N 2.74Å; N669-F671 VanDerWaalsContact O-N 3.12Å; N669-F671 PolarHBondContact OD1-N 2.7Å; N669-F671 VanDerWaalsContact OD1-N 3.1Å; N669-G672 PolarHBondContact O-N 3.41Å | ||
| 670 | P | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 3 | -179.8 | 33.8 | -38.4 | 0 | 0 | 0 | 115 | I469 D677 F678 | I469-P670 HydrophobicContact CB-CG 4.36Å; I469-P670 HydrophobicContact CD1-CG 3.92Å; I469-P670 HydrophobicContact CG2-CG 3.92Å; P670-D677 VanDerWaalsContact CA-OD1 3.29Å; P670-D677 WeakPolarHBondContact CA-OD1 3.39Å; P670-D677 WeakPolarHBondContact O-CB 3.4Å; P670-F678 HydrophobicContact CB-CD2 3.66Å; P670-F678 HydrophobicContact CB-CE1 4.34Å; P670-F678 HydrophobicContact CB-CE2 3.35Å; P670-F678 HydrophobicContact CB-CG 4.28Å; P670-F678 HydrophobicContact CB-CZ 3.7Å; P670-F678 HydrophobicContact CG-CD2 4.06Å; P670-F678 HydrophobicContact CG-CE2 3.54Å; P670-F678 HydrophobicContact CG-CZ 4.17Å; P670-F678 PolarHBondContact O-N 3.45Å |
| 671 | F | 88.1 | Confident | 87.6 | Confident | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 10.4 | -179.5 | -58.5 | -53.5 | 0 | 0 | 0 | 112.9 | I469 I516 S517 T518 L601 N669 F678 L680 | I469-F671 HydrophobicContact CG2-CE1 3.92Å; I469-F671 HydrophobicContact CG2-CE2 3.7Å; I469-F671 HydrophobicContact CG2-CZ 3.2Å; I516-F671 HydrophobicContact CB-CD2 4.41Å; I516-F671 HydrophobicContact CD1-CD2 3.94Å; I516-F671 HydrophobicContact CD1-CE1 4.19Å; I516-F671 HydrophobicContact CD1-CE2 3.54Å; I516-F671 HydrophobicContact CD1-CG 4.42Å; I516-F671 HydrophobicContact CD1-CZ 3.65Å; I516-F671 HydrophobicContact CG1-CD2 4.01Å; I516-F671 HydrophobicContact CG1-CE2 4.14Å; I516-F671 HydrophobicContact CG1-CG 4.27Å; I516-F671 HydrophobicContact CG1-CZ 4.48Å; I516-F671 WeakPolarHBondContact O-CB 3.32Å; S517-F671 WeakPolarHBondContact CA-O 3.13Å; S517-F671 WeakPolarHBondContact CB-O 3.14Å; S517-F671 PolarHBondContact OG-O 2.9Å; T518-F671 PolarHBondContact N-O 2.98Å; L601-F671 HydrophobicContact CD1-CZ 3.69Å; L601-F671 HydrophobicContact CD2-CZ 4.33Å; L601-F671 HydrophobicContact CG-CZ 4.03Å; N669-F671 PolarHBondContact O-N 2.74Å; N669-F671 VanDerWaalsContact O-N 3.12Å; N669-F671 PolarHBondContact OD1-N 2.7Å; N669-F671 VanDerWaalsContact OD1-N 3.1Å; F671-F678 HydrophobicContact CD1-CD2 4.16Å; F671-F678 AromaticContact CE1-CD2 3.95Å; F671-F678 HydrophobicContact CE1-CD2 3.95Å; F671-F678 HydrophobicContact CE1-CE2 4.49Å; F671-L680 HydrophobicContact CD1-CD1 3.56Å; F671-L680 HydrophobicContact CD1-CG 4.39Å; F671-L680 HydrophobicContact CE1-CD1 4.14Å; F671-L680 HydrophobicContact CG-CD1 4.45Å |
| 672 | G | 82.7 | Confident | 87.1 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -77 | -147.2 | -180 | 0 | 0 | 0 | 0 | 0 | 114.6 | A10 N669 D677 | A10-G672 CarbonylContact O-C 3.26Å; A10-G672 WeakPolarHBondContact O-CA 3.39Å; N669-G672 PolarHBondContact O-N 3.41Å; G672-D677 WeakPolarHBondContact CA-OD2 3.28Å; G672-D677 PolarHBondContact N-OD2 3.45Å |
| 673 | E | 79.4 | Confident | 86.9 | Confident | 49 Ų | 49 | 16.7 Ų | 16.7 | 23% | 0.229 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -129.7 | 17.7 | 178.1 | -61.4 | 171.7 | -122.9 | 0 | 0 | 113.7 | A10 T11 T518 A519 K522 D677 | A10-E673 PolarHBondContact O-N 3.4Å; T11-E673 HydrophobicContact CG2-CB 3.88Å; T518-E673 PolarHBondContact OG1-OE1 3.15Å; A519-E673 HydrophobicContact CB-CG 4.1Å; K522-E673 VanDerWaalsContact CE-OE1 3.24Å; K522-E673 WeakPolarHBondContact CE-OE1 3.11Å; K522-E673 IonicContact NZ-OE1 2.65Å; K522-E673 PolarHBondContact NZ-OE1 2.95Å; K522-E673 IonicContact NZ-OE2 3.58Å; K522-E673 PolarHBondContact NZ-OE2 2.64Å; E673-D677 PolarHBondContact N-OD2 3.11Å |
| 674 | D | 83.6 | Confident | 86.8 | Confident | 21 Ų | 21 | 14.5 Ų | 14.5 | 11% | 0.112 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -70.6 | 166.2 | 172.4 | -67.9 | -49.6 | 0 | 0 | 0 | 111.7 | T11 V12 V666 D676 D677 | T11-D674 WeakPolarHBondContact CA-OD2 3.24Å; V12-D674 WeakPolarHBondContact CG2-OD2 3.36Å; V12-D674 PolarHBondContact N-OD1 2.82Å; V12-D674 PolarHBondContact N-OD2 3.01Å; V666-D674 HydrophobicContact CG1-CB 4.22Å; D674-D676 PolarHBondContact O-N 2.88Å; D674-D677 WeakPolarHBondContact CB-OD2 3.48Å; D674-D677 PolarHBondContact N-OD2 2.7Å; D674-D677 PolarHBondContact O-N 3.32Å |
| 675 | D | 80.3 | Confident | 86.5 | Confident | 16 Ų | 16 | 15.3 Ų | 15.3 | 9% | 0.086 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.9 | -178.8 | -72.1 | -38 | 0 | 0 | 0 | 111.5 | M374 T375 R398 G399 K403 | M374-D675 CarbonylContact C-O 3.59Å; M374-D675 CarbonylContact O-C 3.55Å; T375-D675 WeakPolarHBondContact CA-O 3.35Å; T375-D675 PolarHBondContact N-O 3.36Å; R398-D675 HydrophobicContact CG-CB 4.38Å; R398-D675 VanDerWaalsContact CG-CG 3.43Å; R398-D675 WeakPolarHBondContact CG-OD1 3.49Å; R398-D675 WeakPolarHBondContact CG-OD2 3.48Å; R398-D675 IonicContact CZ-OD1 3.57Å; R398-D675 IonicContact NE-OD1 3.69Å; R398-D675 PolarHBondContact NE-OD1 3.35Å; R398-D675 IonicContact NH2-OD1 3.59Å; G399-D675 PolarHBondContact N-OD2 2.85Å; K403-D675 VanDerWaalsContact NZ-CG 3.29Å; K403-D675 IonicContact NZ-OD1 3.1Å; K403-D675 PolarHBondContact NZ-OD1 3.48Å; K403-D675 IonicContact NZ-OD2 2.71Å; K403-D675 PolarHBondContact NZ-OD2 3.48Å |
| 676 | D | 82.8 | Confident | 86.4 | Confident | 54 Ų | 54 | 17.8 Ų | 17.8 | 29% | 0.289 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 2.7 | -174.9 | -53.1 | -71.4 | 0 | 0 | 0 | 114 | V666 D674 | V666-D676 HydrophobicContact CG1-CB 3.88Å; D674-D676 PolarHBondContact O-N 2.88Å |
| 677 | D | 85.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -71.2 | 157.4 | -179.8 | -73 | -24.3 | 0 | 0 | 0 | 112.9 | T375 P670 G672 E673 D674 E679 | T375-D677 PolarHBondContact OG1-O 3.03Å; P670-D677 VanDerWaalsContact CA-OD1 3.29Å; P670-D677 WeakPolarHBondContact CA-OD1 3.39Å; P670-D677 WeakPolarHBondContact O-CB 3.4Å; G672-D677 WeakPolarHBondContact CA-OD2 3.28Å; G672-D677 PolarHBondContact N-OD2 3.45Å; E673-D677 PolarHBondContact N-OD2 3.11Å; D674-D677 WeakPolarHBondContact CB-OD2 3.48Å; D674-D677 PolarHBondContact N-OD2 2.7Å; D674-D677 PolarHBondContact O-N 3.32Å; D677-E679 PolarHBondContact O-N 3.23Å |
| 678 | F | 88.7 | Confident | 86.5 | Confident | 17 Ų | 17 | 16.4 Ų | 16.4 | 8% | 0.075 | 8% | 0.077 | C | C | . | . | trans | -68.2 | 130.2 | -178.9 | -58.6 | -36.4 | 0 | 0 | 0 | 111.3 | W466 I469 F470 I473 P670 F671 L680 | W466-F678 HydrophobicContact CD2-CE1 4.37Å; W466-F678 HydrophobicContact CD2-CZ 4.11Å; W466-F678 AromaticContact CE2-CE1 3.55Å; W466-F678 AromaticContact CE2-CZ 3.63Å; W466-F678 HydrophobicContact CG-CZ 4.47Å; W466-F678 AromaticContact CH2-CE1 3.95Å; W466-F678 HydrophobicContact CH2-CE1 3.95Å; W466-F678 HydrophobicContact CZ2-CD1 4.26Å; W466-F678 AromaticContact CZ2-CE1 3.31Å; W466-F678 HydrophobicContact CZ2-CE1 3.31Å; W466-F678 AromaticContact CZ2-CZ 3.89Å; W466-F678 HydrophobicContact CZ2-CZ 3.89Å; W466-F678 AromaticContact NE1-CE1 3.89Å; W466-F678 AromaticContact NE1-CZ 3.75Å; I469-F678 HydrophobicContact CB-CE2 4.32Å; I469-F678 HydrophobicContact CG2-CE2 3.8Å; F470-F678 HydrophobicContact CB-CE1 3.89Å; F470-F678 HydrophobicContact CB-CE2 4.17Å; F470-F678 HydrophobicContact CB-CZ 3.5Å; F470-F678 VanDerWaalsContact CB-CZ 3.5Å; F470-F678 AromaticContact CD2-CD1 3.88Å; F470-F678 HydrophobicContact CD2-CD1 3.88Å; F470-F678 AromaticContact CD2-CE1 3.54Å; F470-F678 HydrophobicContact CD2-CE1 3.54Å; F470-F678 AromaticContact CD2-CZ 3.96Å; F470-F678 HydrophobicContact CD2-CZ 3.96Å; F470-F678 HydrophobicContact CE2-CE1 4.5Å; F470-F678 HydrophobicContact CG-CE1 4.1Å; F470-F678 HydrophobicContact CG-CZ 4.19Å; I473-F678 HydrophobicContact CD1-CB 4.29Å; I473-F678 HydrophobicContact CD1-CD2 3.63Å; I473-F678 HydrophobicContact CD1-CE2 4.13Å; I473-F678 HydrophobicContact CD1-CG 3.98Å; P670-F678 HydrophobicContact CB-CD2 3.66Å; P670-F678 HydrophobicContact CB-CE1 4.34Å; P670-F678 HydrophobicContact CB-CE2 3.35Å; P670-F678 HydrophobicContact CB-CG 4.28Å; P670-F678 HydrophobicContact CB-CZ 3.7Å; P670-F678 HydrophobicContact CG-CD2 4.06Å; P670-F678 HydrophobicContact CG-CE2 3.54Å; P670-F678 HydrophobicContact CG-CZ 4.17Å; P670-F678 PolarHBondContact O-N 3.45Å; F671-F678 HydrophobicContact CD1-CD2 4.16Å; F671-F678 AromaticContact CE1-CD2 3.95Å; F671-F678 HydrophobicContact CE1-CD2 3.95Å; F671-F678 HydrophobicContact CE1-CE2 4.49Å; F678-L680 HydrophobicContact CB-CD2 4.1Å; F678-L680 HydrophobicContact CB-CG 4.22Å; F678-L680 PolarHBondContact O-N 2.86Å | ||
| 679 | E | 81.7 | Confident | 86.5 | Confident | 23 Ų | 23 | 18 Ų | 18 | 11% | 0.107 | 9% | 0.085 | C | C | . | . | trans | -75.8 | 61.2 | 179.5 | -66.6 | -79.9 | -156.9 | 0 | 0 | 112.1 | R356 M374 T375 D677 N681 Y682 I683 | R356-E679 WeakPolarHBondContact CD-OE1 3.22Å; R356-E679 VanDerWaalsContact CG-OE2 3.28Å; R356-E679 WeakPolarHBondContact CG-OE2 3.43Å; R356-E679 IonicContact NE-OE1 3.74Å; R356-E679 PolarHBondContact NE-OE1 2.99Å; R356-E679 VanDerWaalsContact NE-OE1 3.14Å; R356-E679 IonicContact NE-OE2 2.93Å; R356-E679 PolarHBondContact NE-OE2 3.19Å; R356-E679 VanDerWaalsContact NE-OE2 3.13Å; M374-E679 WeakPolarHBondContact CA-OE1 3.15Å; M374-E679 WeakPolarHBondContact CB-OE1 3.32Å; M374-E679 WeakPolarHBondContact CG-OE1 3.5Å; M374-E679 PolarHBondContact N-OE1 2.89Å; T375-E679 PolarHBondContact N-OE1 2.79Å; T375-E679 WeakPolarHBondContact OG1-CG 3.46Å; D677-E679 PolarHBondContact O-N 3.23Å; E679-N681 VanDerWaalsContact C-N 3.29Å; E679-N681 PolarHBondContact O-N 3.29Å; E679-Y682 WeakPolarHBondContact O-CB 3.4Å; E679-Y682 PolarHBondContact O-N 3.27Å; E679-Y682 VanDerWaalsContact O-N 3.09Å; E679-I683 PolarHBondContact O-N 2.72Å; E679-I683 VanDerWaalsContact O-N 3.09Å | ||
| 680 | L | 87.9 | Confident | 86.5 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -34.1 | -173.1 | -65.5 | -179 | 0 | 0 | 0 | 113.2 | I473 L513 V520 F671 F678 Y682 I683 I684 | I473-L680 HydrophobicContact CD1-CD2 4.06Å; L513-L680 HydrophobicContact CD1-CD2 4.43Å; L513-L680 HydrophobicContact CD2-CD1 3.89Å; L513-L680 HydrophobicContact CD2-CD2 4.03Å; V520-L680 HydrophobicContact CG2-CB 3.6Å; V520-L680 HydrophobicContact CG2-CD1 3.98Å; V520-L680 HydrophobicContact CG2-CG 4.49Å; F671-L680 HydrophobicContact CD1-CD1 3.56Å; F671-L680 HydrophobicContact CD1-CG 4.39Å; F671-L680 HydrophobicContact CE1-CD1 4.14Å; F671-L680 HydrophobicContact CG-CD1 4.45Å; F678-L680 HydrophobicContact CB-CD2 4.1Å; F678-L680 HydrophobicContact CB-CG 4.22Å; F678-L680 PolarHBondContact O-N 2.86Å; L680-Y682 VanDerWaalsContact C-N 3.3Å; L680-Y682 PolarHBondContact O-N 2.81Å; L680-I683 HydrophobicContact CD2-CD1 4.31Å; L680-I683 PolarHBondContact O-N 3.16Å; L680-I684 WeakPolarHBondContact O-CB 3.2Å; L680-I684 WeakPolarHBondContact O-CD1 3.42Å; L680-I684 VanDerWaalsContact O-CG1 3.22Å; L680-I684 WeakPolarHBondContact O-CG1 3.4Å; L680-I684 PolarHBondContact O-N 3.07Å |
| 681 | N | 85.2 | Confident | 86.7 | Confident | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.032 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 176.2 | -79.3 | -56.1 | 0 | 0 | 0 | 112 | A519 R523 E679 D685 | A519-N681 PolarHBondContact O-ND2 2.91Å; R523-N681 WeakPolarHBondContact CD-OD1 3.25Å; R523-N681 PolarHBondContact NH1-O 2.98Å; E679-N681 VanDerWaalsContact C-N 3.29Å; E679-N681 PolarHBondContact O-N 3.29Å; N681-D685 PolarHBondContact O-N 3.38Å |
| 682 | Y | 83.7 | Confident | 86.9 | Confident | 44 Ų | 44 | 20 Ų | 20 | 17% | 0.173 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.3 | -45.4 | 172.8 | 163.2 | -109.3 | 0 | 0 | 0 | 111.3 | P358 F359 E679 L680 I684 D685 R686 | P358-Y682 VanDerWaalsContact CA-CE2 3.46Å; P358-Y682 HydrophobicContact CB-CE2 4.2Å; F359-Y682 HydrophobicContact CB-CD1 4.44Å; F359-Y682 HydrophobicContact CB-CE1 3.57Å; F359-Y682 WeakPolarHBondContact CB-OH 3.44Å; F359-Y682 VanDerWaalsContact N-CZ 3.32Å; F359-Y682 PolarHBondContact N-OH 3.11Å; E679-Y682 WeakPolarHBondContact O-CB 3.4Å; E679-Y682 PolarHBondContact O-N 3.27Å; E679-Y682 VanDerWaalsContact O-N 3.09Å; L680-Y682 VanDerWaalsContact C-N 3.3Å; L680-Y682 PolarHBondContact O-N 2.81Å; Y682-I684 VanDerWaalsContact C-N 3.3Å; Y682-I684 PolarHBondContact O-N 2.87Å; Y682-D685 PolarHBondContact O-N 2.91Å; Y682-R686 HydrophobicContact CD2-CB 4.3Å; Y682-R686 HydrophobicContact CE1-CB 4.47Å; Y682-R686 HydrophobicContact CE2-CB 3.76Å; Y682-R686 HydrophobicContact CE2-CG 4.2Å; Y682-R686 VanDerWaalsContact O-CB 3.23Å; Y682-R686 WeakPolarHBondContact O-CB 3.48Å; Y682-R686 PolarHBondContact O-N 3.35Å |
| 683 | I | 88.8 | Confident | 87.1 | Confident | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.062 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | -180 | -65.7 | 176.3 | 0 | 0 | 0 | 110.5 | I473 W475 E679 L680 N687 | I473-I683 HydrophobicContact CG2-CD1 4.28Å; I473-I683 HydrophobicContact CG2-CG2 4.32Å; W475-I683 HydrophobicContact CH2-CD1 3.97Å; W475-I683 HydrophobicContact CH2-CG1 3.84Å; W475-I683 HydrophobicContact CH2-CG2 4.24Å; W475-I683 HydrophobicContact CZ2-CD1 4.01Å; W475-I683 HydrophobicContact CZ2-CG1 4.38Å; W475-I683 HydrophobicContact CZ3-CG1 4.45Å; W475-I683 HydrophobicContact CZ3-CG2 4.23Å; E679-I683 PolarHBondContact O-N 2.72Å; E679-I683 VanDerWaalsContact O-N 3.09Å; L680-I683 HydrophobicContact CD2-CD1 4.31Å; L680-I683 PolarHBondContact O-N 3.16Å; I683-N687 WeakPolarHBondContact CG2-ND2 3.15Å; I683-N687 WeakPolarHBondContact O-CB 3.4Å; I683-N687 PolarHBondContact O-N 3.27Å; I683-N687 PolarHBondContact O-ND2 3.37Å; I683-N687 PolarHBondContact O-OD1 3.42Å |
| 684 | I | 90.1 | Very high | 87.7 | Confident | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.041 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.2 | -49 | 176 | -70.9 | 159.8 | 0 | 0 | 0 | 111.1 | L510 L513 V520 F524 F535 L680 Y682 N687 L688 | L510-I684 HydrophobicContact CD1-CD1 3.69Å; L510-I684 HydrophobicContact CD1-CG1 4.33Å; L510-I684 HydrophobicContact CD1-CG2 4.5Å; L513-I684 HydrophobicContact CD1-CD1 4.06Å; L513-I684 HydrophobicContact CD1-CG1 3.9Å; V520-I684 HydrophobicContact CB-CD1 4.46Å; V520-I684 HydrophobicContact CG1-CD1 3.69Å; V520-I684 HydrophobicContact CG2-CD1 3.84Å; F524-I684 HydrophobicContact CE2-CD1 4.31Å; F524-I684 HydrophobicContact CE2-CG2 4.42Å; F524-I684 HydrophobicContact CZ-CG2 4.4Å; F535-I684 HydrophobicContact CE1-CG2 4.27Å; F535-I684 HydrophobicContact CE2-CG2 4.23Å; F535-I684 HydrophobicContact CZ-CG2 3.5Å; F535-I684 VanDerWaalsContact CZ-CG2 3.5Å; L680-I684 WeakPolarHBondContact O-CB 3.2Å; L680-I684 WeakPolarHBondContact O-CD1 3.42Å; L680-I684 VanDerWaalsContact O-CG1 3.22Å; L680-I684 WeakPolarHBondContact O-CG1 3.4Å; L680-I684 PolarHBondContact O-N 3.07Å; Y682-I684 VanDerWaalsContact C-N 3.3Å; Y682-I684 PolarHBondContact O-N 2.87Å; I684-N687 PolarHBondContact O-N 3.36Å; I684-L688 PolarHBondContact O-N 3.33Å; I684-L688 VanDerWaalsContact O-N 3.13Å |
| 685 | D | 86.6 | Confident | 88.1 | Confident | 17 Ų | 17 | 20.2 Ų | 20.2 | 9% | 0.091 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.2 | -50.3 | -179.5 | -74.2 | -3.1 | 0 | 0 | 0 | 111.9 | I345 R523 N681 Y682 N687 L688 Q689 | I345-D685 WeakPolarHBondContact CD1-OD1 3.37Å; R523-D685 IonicContact CZ-OD1 2.68Å; R523-D685 IonicContact CZ-OD2 3.01Å; R523-D685 IonicContact NH1-OD1 3.83Å; R523-D685 PolarHBondContact NH1-OD1 3.3Å; R523-D685 IonicContact NH1-OD2 3.59Å; R523-D685 IonicContact NH2-OD1 2.97Å; R523-D685 PolarHBondContact NH2-OD1 3.33Å; R523-D685 IonicContact NH2-OD2 3.93Å; R523-D685 PolarHBondContact NH2-OD2 3.41Å; N681-D685 PolarHBondContact O-N 3.38Å; Y682-D685 PolarHBondContact O-N 2.91Å; D685-N687 VanDerWaalsContact C-N 3.3Å; D685-N687 PolarHBondContact O-N 2.92Å; D685-L688 PolarHBondContact O-N 3.17Å; D685-Q689 WeakPolarHBondContact O-CB 3.49Å; D685-Q689 VanDerWaalsContact O-CG 3.23Å; D685-Q689 WeakPolarHBondContact O-CG 3.44Å; D685-Q689 PolarHBondContact O-N 2.98Å |
| 686 | R | 88.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 21.2 Ų | 21.2 | 20% | 0.2 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.8 | -44.6 | -179.6 | 178.2 | -86.5 | -176.5 | -169.1 | -3.1 | 110.6 | D477 Y682 L690 | D477-R686 IonicContact OD1-CZ 2.72Å; D477-R686 IonicContact OD1-NH1 2.83Å; D477-R686 PolarHBondContact OD1-NH1 3.12Å; D477-R686 IonicContact OD1-NH2 3.69Å; D477-R686 PolarHBondContact OD1-NH2 3.45Å; D477-R686 IonicContact OD2-CZ 3.27Å; D477-R686 IonicContact OD2-NH1 2.66Å; D477-R686 PolarHBondContact OD2-NH1 3.36Å; D477-R686 IonicContact OD2-NH2 3.63Å; Y682-R686 HydrophobicContact CD2-CB 4.3Å; Y682-R686 HydrophobicContact CE1-CB 4.47Å; Y682-R686 HydrophobicContact CE2-CB 3.76Å; Y682-R686 HydrophobicContact CE2-CG 4.2Å; Y682-R686 VanDerWaalsContact O-CB 3.23Å; Y682-R686 WeakPolarHBondContact O-CB 3.48Å; Y682-R686 PolarHBondContact O-N 3.35Å; R686-L690 WeakPolarHBondContact O-CB 3.36Å; R686-L690 PolarHBondContact O-N 3.44Å |
| 687 | N | 93.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.1 | -45.3 | -177 | -77 | -4.9 | 0 | 0 | 0 | 111.2 | S474 P476 N506 I683 I684 D685 C691 | S474-N687 PolarHBondContact O-ND2 3.43Å; P476-N687 WeakPolarHBondContact CD-ND2 3.28Å; P476-N687 HydrophobicContact CG-CB 3.7Å; N506-N687 WeakPolarHBondContact OD1-CB 3.29Å; I683-N687 WeakPolarHBondContact CG2-ND2 3.15Å; I683-N687 WeakPolarHBondContact O-CB 3.4Å; I683-N687 PolarHBondContact O-N 3.27Å; I683-N687 PolarHBondContact O-ND2 3.37Å; I683-N687 PolarHBondContact O-OD1 3.42Å; I684-N687 PolarHBondContact O-N 3.36Å; D685-N687 VanDerWaalsContact C-N 3.3Å; D685-N687 PolarHBondContact O-N 2.92Å; N687-C691 WeakPolarHBondContact O-CB 3.48Å; N687-C691 PolarHBondContact O-N 2.88Å; N687-C691 PolarHBondContact O-SG 3Å |
| 688 | L | 91.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 177.5 | -169.3 | 67.9 | 0 | 0 | 0 | 111.9 | I345 N506 F535 I684 D685 C691 Y692 | I345-L688 HydrophobicContact CD1-CB 4.18Å; I345-L688 HydrophobicContact CD1-CD2 3.7Å; I345-L688 HydrophobicContact CG1-CD2 4.01Å; N506-L688 HydrophobicContact CB-CD1 4.25Å; F535-L688 HydrophobicContact CD1-CD2 4.45Å; F535-L688 HydrophobicContact CE1-CB 4.32Å; F535-L688 HydrophobicContact CE1-CD1 4.21Å; F535-L688 HydrophobicContact CE1-CD2 3.92Å; F535-L688 HydrophobicContact CE1-CG 4.38Å; F535-L688 HydrophobicContact CE2-CD2 4.39Å; F535-L688 HydrophobicContact CZ-CB 4.43Å; F535-L688 HydrophobicContact CZ-CD2 3.88Å; I684-L688 PolarHBondContact O-N 3.33Å; I684-L688 VanDerWaalsContact O-N 3.13Å; D685-L688 PolarHBondContact O-N 3.17Å; L688-C691 PolarHBondContact O-N 2.84Å; L688-Y692 HydrophobicContact CD1-CD2 4.39Å; L688-Y692 HydrophobicContact CD1-CE1 4.38Å; L688-Y692 HydrophobicContact CD1-CE2 3.81Å; L688-Y692 HydrophobicContact CD2-CE2 4.06Å; L688-Y692 HydrophobicContact CG-CD2 4.11Å; L688-Y692 HydrophobicContact CG-CE2 3.75Å; L688-Y692 PolarHBondContact O-N 3.09Å |
| 689 | Q | 88.1 | Confident | 88.2 | Confident | 43 Ų | 43 | 29.2 Ų | 29.2 | 20% | 0.201 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -51 | 178.4 | -75.4 | 169.1 | 9.3 | 0 | 0 | 111.7 | T343 D685 C691 Y692 L693 | T343-Q689 VanDerWaalsContact O-CG 3.26Å; T343-Q689 WeakPolarHBondContact O-CG 3.47Å; T343-Q689 PolarHBondContact O-NE2 3.41Å; T343-Q689 WeakPolarHBondContact OG1-CG 3.36Å; D685-Q689 WeakPolarHBondContact O-CB 3.49Å; D685-Q689 VanDerWaalsContact O-CG 3.23Å; D685-Q689 WeakPolarHBondContact O-CG 3.44Å; D685-Q689 PolarHBondContact O-N 2.98Å; Q689-C691 VanDerWaalsContact C-N 3.35Å; Q689-C691 PolarHBondContact O-N 3.23Å; Q689-Y692 PolarHBondContact O-N 3.05Å; Q689-L693 WeakPolarHBondContact O-CG 3.37Å; Q689-L693 PolarHBondContact O-N 2.99Å |
| 690 | L | 88.7 | Confident | 88.1 | Confident | 44 Ų | 44 | 31.5 Ų | 31.5 | 23% | 0.23 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -42.9 | 179.9 | 179.7 | 141.2 | 0 | 0 | 0 | 111.3 | D477 R686 Y692 L693 V694 | D477-L690 HydrophobicContact CB-CD2 4.16Å; D477-L690 WeakPolarHBondContact OD1-CD1 3.44Å; D477-L690 WeakPolarHBondContact OD1-CD2 3.39Å; R686-L690 WeakPolarHBondContact O-CB 3.36Å; R686-L690 PolarHBondContact O-N 3.44Å; L690-Y692 VanDerWaalsContact C-N 3.33Å; L690-Y692 PolarHBondContact O-N 3.47Å; L690-L693 PolarHBondContact O-N 2.89Å; L690-V694 HydrophobicContact CD2-CG2 4.04Å; L690-V694 HydrophobicContact CG-CG2 4.19Å; L690-V694 WeakPolarHBondContact O-CB 3.5Å; L690-V694 VanDerWaalsContact O-CG2 3.27Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; L690-V694 PolarHBondContact O-N 3.38Å |
| 691 | C | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -54.8 | -50.9 | 176.2 | -80.2 | 0 | 0 | 0 | 0 | 111.2 | P476 A480 V502 N506 N687 L688 Q689 V694 V695 | P476-C691 VanDerWaalsContact CG-SG 3.51Å; A480-C691 HydrophobicContact CB-CB 4.31Å; V502-C691 HydrophobicContact CB-CB 3.71Å; V502-C691 HydrophobicContact CG1-CB 4.19Å; V502-C691 HydrophobicContact CG2-CB 3.81Å; N506-C691 PolarHBondContact ND2-SG 2.95Å; N506-C691 VanDerWaalsContact ND2-SG 3.41Å; N687-C691 WeakPolarHBondContact O-CB 3.48Å; N687-C691 PolarHBondContact O-N 2.88Å; N687-C691 PolarHBondContact O-SG 3Å; L688-C691 PolarHBondContact O-N 2.84Å; Q689-C691 VanDerWaalsContact C-N 3.35Å; Q689-C691 PolarHBondContact O-N 3.23Å; C691-V694 PolarHBondContact O-N 3.26Å; C691-V695 VanDerWaalsContact O-CG2 3.31Å; C691-V695 WeakPolarHBondContact O-CG2 3.46Å; C691-V695 PolarHBondContact O-N 3.4Å |
| 692 | Y | 92.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65 | -41.6 | 179 | -70.4 | -28.4 | 0 | 0 | 0 | 113.1 | H337 T343 R499 V502 R503 L688 Q689 L690 V694 V695 D696 | H337-Y692 HydrophobicContact CB-CE2 4.16Å; T343-Y692 HydrophobicContact CG2-CD2 3.49Å; T343-Y692 VanDerWaalsContact CG2-CD2 3.49Å; T343-Y692 HydrophobicContact CG2-CE2 3.92Å; R499-Y692 HydrophobicContact CB-CD1 4.47Å; R499-Y692 HydrophobicContact CB-CE1 4.15Å; R499-Y692 HydrophobicContact CG-CD1 4.24Å; R499-Y692 HydrophobicContact CG-CE1 4.38Å; V502-Y692 HydrophobicContact CG2-CD1 4.04Å; V502-Y692 HydrophobicContact CG2-CE1 4.09Å; R503-Y692 WeakPolarHBondContact CD-OH 3.15Å; L688-Y692 HydrophobicContact CD1-CD2 4.39Å; L688-Y692 HydrophobicContact CD1-CE1 4.38Å; L688-Y692 HydrophobicContact CD1-CE2 3.81Å; L688-Y692 HydrophobicContact CD2-CE2 4.06Å; L688-Y692 HydrophobicContact CG-CD2 4.11Å; L688-Y692 HydrophobicContact CG-CE2 3.75Å; L688-Y692 PolarHBondContact O-N 3.09Å; Q689-Y692 PolarHBondContact O-N 3.05Å; L690-Y692 VanDerWaalsContact C-N 3.33Å; L690-Y692 PolarHBondContact O-N 3.47Å; Y692-V694 VanDerWaalsContact C-N 3.3Å; Y692-V694 PolarHBondContact O-N 2.86Å; Y692-V695 HydrophobicContact CD1-CG2 4.48Å; Y692-V695 PolarHBondContact O-N 3.39Å; Y692-D696 WeakPolarHBondContact O-CB 3.4Å; Y692-D696 PolarHBondContact O-N 3.43Å |
| 693 | L | 88.6 | Confident | 86.6 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | I | π-helix | trans | -57 | -44.8 | 173.8 | -73.4 | 171.2 | 0 | 0 | 0 | 111.7 | E341 Q689 L690 E697 Y698 | E341-L693 WeakPolarHBondContact O-CD2 3.48Å; Q689-L693 WeakPolarHBondContact O-CG 3.37Å; Q689-L693 PolarHBondContact O-N 2.99Å; L690-L693 PolarHBondContact O-N 2.89Å; L693-E697 HydrophobicContact CD2-CB 4.14Å; L693-E697 HydrophobicContact CD2-CG 4.39Å; L693-E697 PolarHBondContact O-N 3.33Å; L693-Y698 HydrophobicContact CB-CD2 4.07Å; L693-Y698 HydrophobicContact CB-CE2 4.16Å; L693-Y698 HydrophobicContact CD2-CE2 4.33Å; L693-Y698 WeakPolarHBondContact O-CD2 3.37Å; L693-Y698 PolarHBondContact O-N 3.03Å |
| 694 | V | 90.4 | Very high | 85.6 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -70.3 | -41.8 | -177.6 | 171.4 | 0 | 0 | 0 | 0 | 112.6 | A480 S484 L690 C691 Y692 | A480-V694 HydrophobicContact CB-CB 4.17Å; A480-V694 HydrophobicContact CB-CG1 4.02Å; S484-V694 WeakPolarHBondContact CB-O 3.23Å; S484-V694 PolarHBondContact OG-O 2.85Å; L690-V694 HydrophobicContact CD2-CG2 4.04Å; L690-V694 HydrophobicContact CG-CG2 4.19Å; L690-V694 WeakPolarHBondContact O-CB 3.5Å; L690-V694 VanDerWaalsContact O-CG2 3.27Å; L690-V694 WeakPolarHBondContact O-CG2 3.47Å; L690-V694 PolarHBondContact O-N 3.38Å; C691-V694 PolarHBondContact O-N 3.26Å; Y692-V694 VanDerWaalsContact C-N 3.3Å; Y692-V694 PolarHBondContact O-N 2.86Å |
| 695 | V | 91.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.327 | C | S | . | . | I | π-helix | trans | -86.3 | -9.5 | -175.7 | -58.8 | 0 | 0 | 0 | 0 | 114.8 | A480 V483 R498 R499 V502 C691 Y692 H699 | A480-V695 HydrophobicContact CB-CG1 4.28Å; V483-V695 HydrophobicContact CB-CG1 4.5Å; V483-V695 HydrophobicContact CG1-CG1 4.11Å; R498-V695 HydrophobicContact CB-CB 3.9Å; R498-V695 HydrophobicContact CB-CG1 4.41Å; R498-V695 HydrophobicContact CB-CG2 4.29Å; R498-V695 PolarHBondContact NE-O 3.2Å; R499-V695 HydrophobicContact CG-CG2 3.99Å; V502-V695 HydrophobicContact CG1-CG1 3.66Å; V502-V695 HydrophobicContact CG2-CG1 4.39Å; V502-V695 HydrophobicContact CG2-CG2 3.95Å; C691-V695 VanDerWaalsContact O-CG2 3.31Å; C691-V695 WeakPolarHBondContact O-CG2 3.46Å; C691-V695 PolarHBondContact O-N 3.4Å; Y692-V695 HydrophobicContact CD1-CG2 4.48Å; Y692-V695 PolarHBondContact O-N 3.39Å; V695-H699 WeakPolarHBondContact O-CB 3.49Å |
| 696 | D | 87.1 | Confident | 82.5 | Confident | 37 Ų | 37 | 60 Ų | 60 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -125.6 | -77 | -172.5 | -157.1 | 0.7 | 0 | 0 | 0 | 110.9 | R495 R499 Y692 Y698 H699 | R495-D696 WeakPolarHBondContact CD-OD1 3.47Å; R495-D696 IonicContact CZ-OD1 3.97Å; R495-D696 IonicContact CZ-OD2 2.71Å; R495-D696 VanDerWaalsContact CZ-OD2 3.23Å; R495-D696 IonicContact NE-OD1 2.68Å; R495-D696 PolarHBondContact NE-OD1 3.22Å; R495-D696 IonicContact NE-OD2 3.53Å; R495-D696 PolarHBondContact NE-OD2 3.49Å; R495-D696 IonicContact NH2-OD1 3.49Å; R495-D696 IonicContact NH2-OD2 2.91Å; R495-D696 PolarHBondContact NH2-OD2 3.02Å; R499-D696 IonicContact CZ-OD2 3.7Å; R499-D696 IonicContact NH1-OD2 3.51Å; R499-D696 PolarHBondContact NH1-OD2 3.25Å; Y692-D696 WeakPolarHBondContact O-CB 3.4Å; Y692-D696 PolarHBondContact O-N 3.43Å; D696-Y698 PolarHBondContact O-N 3.45Å; D696-H699 WeakPolarHBondContact O-CB 3.49Å; D696-H699 PolarHBondContact O-N 3.07Å |
| 697 | E | 82.7 | Confident | 80.7 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 28% | 0.276 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -64.7 | -38.8 | -172.4 | -179.7 | 57.6 | -167.3 | 0 | 0 | 112.8 | L693 R701 | L693-E697 HydrophobicContact CD2-CB 4.14Å; L693-E697 HydrophobicContact CD2-CG 4.39Å; L693-E697 PolarHBondContact O-N 3.33Å; E697-R701 VanDerWaalsContact CD-NH1 3.27Å; E697-R701 WeakPolarHBondContact O-CD 3.44Å; E697-R701 PolarHBondContact O-NE 2.94Å; E697-R701 PolarHBondContact O-NH1 3.13Å; E697-R701 PolarHBondContact O-NH2 2.7Å; E697-R701 IonicContact OE1-CZ 3.62Å; E697-R701 IonicContact OE1-NH1 2.74Å; E697-R701 PolarHBondContact OE1-NH1 2.89Å; E697-R701 IonicContact OE1-NH2 2.78Å; E697-R701 IonicContact OE2-CZ 2.75Å; E697-R701 IonicContact OE2-NH1 3.73Å; E697-R701 IonicContact OE2-NH2 2.58Å; E697-R701 PolarHBondContact OE2-NH2 3.21Å |
| 698 | Y | 84.9 | Confident | 78.2 | Confident | 145 Ų | 145 | 70.2 Ų | 70.2 | 57% | 0.569 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | 4.3 | 179 | -64 | -67.1 | 0 | 0 | 0 | 113.7 | L693 D696 G700 R701 | L693-Y698 HydrophobicContact CB-CD2 4.07Å; L693-Y698 HydrophobicContact CB-CE2 4.16Å; L693-Y698 HydrophobicContact CD2-CE2 4.33Å; L693-Y698 WeakPolarHBondContact O-CD2 3.37Å; L693-Y698 PolarHBondContact O-N 3.03Å; D696-Y698 PolarHBondContact O-N 3.45Å; Y698-G700 PolarHBondContact O-N 3.46Å; Y698-R701 PolarHBondContact O-N 2.89Å |
| 699 | H | 86.6 | Confident | 75.8 | Confident | 36 Ų | 36 | 75.2 Ų | 75.2 | 17% | 0.167 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | 120.5 | 178.3 | 175.8 | 70.2 | 0 | 0 | 0 | 110.8 | S484 R498 V695 D696 R701 | S484-H699 PolarHBondContact O-CE1 2.78Å; S484-H699 PolarHBondContact O-ND1 3.14Å; S484-H699 PolarHBondContact OG-ND1 3.2Å; S484-H699 VanDerWaalsContact OG-ND1 3.14Å; R498-H699 VanDerWaalsContact CZ-CD2 3.47Å; R498-H699 PolarHBondContact NH1-NE2 3.37Å; R498-H699 PolarHBondContact NH2-CD2 3.46Å; R498-H699 PolarHBondContact NH2-NE2 3.48Å; V695-H699 WeakPolarHBondContact O-CB 3.49Å; D696-H699 WeakPolarHBondContact O-CB 3.49Å; D696-H699 PolarHBondContact O-N 3.07Å; H699-R701 PolarHBondContact O-N 2.95Å; H699-R701 VanDerWaalsContact O-N 3.09Å |
| 700 | G | 79.1 | Confident | 73.5 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 73% | 0.732 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 2.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y698 | Y698-G700 PolarHBondContact O-N 3.46Š|
| 701 | R | 78.1 | Confident | 71.1 | Confident | 148 Ų | 148 | 82 Ų | 82 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | trans | -89.2 | 120.4 | 178.8 | -61.9 | -161.9 | -169.4 | 161 | 17 | 110.1 | E697 Y698 H699 | E697-R701 VanDerWaalsContact CD-NH1 3.27Å; E697-R701 WeakPolarHBondContact O-CD 3.44Å; E697-R701 PolarHBondContact O-NE 2.94Å; E697-R701 PolarHBondContact O-NH1 3.13Å; E697-R701 PolarHBondContact O-NH2 2.7Å; E697-R701 IonicContact OE1-CZ 3.62Å; E697-R701 IonicContact OE1-NH1 2.74Å; E697-R701 PolarHBondContact OE1-NH1 2.89Å; E697-R701 IonicContact OE1-NH2 2.78Å; E697-R701 IonicContact OE2-CZ 2.75Å; E697-R701 IonicContact OE2-NH1 3.73Å; E697-R701 IonicContact OE2-NH2 2.58Å; E697-R701 PolarHBondContact OE2-NH2 3.21Å; Y698-R701 PolarHBondContact O-N 2.89Å; H699-R701 PolarHBondContact O-N 2.95Å; H699-R701 VanDerWaalsContact O-N 3.09Å | ||
| 702 | V | 74.3 | Confident | 68.5 | Low | 123 Ų | 123 | 88.3 Ų | 88.3 | 75% | 0.745 | 55% | 0.551 | S | S | * | * | trans | -114 | 145.9 | 166.6 | -68.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 703 | P | 71.9 | Confident | 66.1 | Low | 116 Ų | 116 | 96 Ų | 96 | 75% | 0.753 | 59% | 0.587 | S | S | * | * | trans | -54 | 147 | 169.9 | -23.4 | 33.8 | 0 | 0 | 0 | 110.5 | V705 | P703-V705 PolarHBondContact O-N 2.71Å; P703-V705 VanDerWaalsContact O-N 3.07Å | ||
| 704 | A | 69.2 | Low | 63.7 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 84% | 0.843 | 61% | 0.605 | S | S | * | * | trans | -54.3 | 119.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G706 | A704-G706 PolarHBondContact O-N 3.23Š| ||
| 705 | V | 58 | Low | 61 | Low | 138 Ų | 138 | 105.1 Ų | 105.1 | 84% | 0.836 | 64% | 0.642 | S | S | * | * | trans | -76.6 | 78.3 | 173.9 | -174.5 | 0 | 0 | 0 | 0 | 106.5 | P703 V707 | P703-V705 PolarHBondContact O-N 2.71Å; P703-V705 VanDerWaalsContact O-N 3.07Å; V705-V707 PolarHBondContact O-N 3.36Å | ||
| 706 | G | 52.6 | Low | 58.3 | Low | 61 Ų | 61 | 111.2 Ų | 111.2 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 122.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | A704 T708 | A704-G706 PolarHBondContact O-N 3.23Å; G706-T708 PolarHBondContact O-N 3.27Å |
| 707 | V | 50.7 | Low | 55.8 | Low | 140 Ų | 140 | 114.3 Ų | 114.3 | 85% | 0.848 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 126 | 157.5 | -174.5 | 0 | 0 | 0 | 0 | 105.9 | V705 A709 | V705-V707 PolarHBondContact O-N 3.36Å; V707-A709 PolarHBondContact O-N 3.17Å; V707-A709 VanDerWaalsContact O-N 3.14Å |
| 708 | T | 41.7 | Very low | 53.6 | Low | 130 Ų | 130 | 117.7 Ų | 117.7 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -51.3 | 119.7 | -177.8 | 44.7 | 0 | 0 | 0 | 0 | 111.5 | G706 | G706-T708 PolarHBondContact O-N 3.27Š|
| 709 | A | 39.7 | Very low | 51.2 | Low | 105 Ų | 105 | 114.8 Ų | 114.8 | 87% | 0.868 | 74% | 0.741 | S | S | * | * | S | Bend | trans | 51.5 | 86.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | V707 | V707-A709 PolarHBondContact O-N 3.17Å; V707-A709 VanDerWaalsContact O-N 3.14Å |
| 710 | G | 39.8 | Very low | 48.7 | Very low | 67 Ų | 67 | 122.4 Ų | 122.4 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -163.3 | 120.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 711 | E | 38.9 | Very low | 46.6 | Very low | 163 Ų | 163 | 129 Ų | 129 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | 89.6 | 112.8 | 167 | -55 | -178.8 | 177 | 0 | 0 | 118 | H713 | E711-H713 PolarHBondContact O-N 2.91Š| ||
| 712 | P | 39.8 | Very low | 44.4 | Very low | 132 Ų | 132 | 132 Ų | 132 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | trans | -82.6 | 96.5 | 175.7 | 32.5 | -28.9 | 0 | 0 | 0 | 109.6 | G714 | P712-G714 PolarHBondContact O-N 3.45Š| ||
| 713 | H | 41.3 | Very low | 42.6 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 78% | 0.778 | 80% | 0.8 | S | S | * | * | trans | -84.3 | 111.1 | 170.8 | -80.5 | -57.6 | 0 | 0 | 0 | 111.7 | E711 | E711-H713 PolarHBondContact O-N 2.91Š| ||
| 714 | G | 38.5 | Very low | 40.9 | Very low | 60 Ų | 60 | 132.3 Ų | 132.3 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | trans | 28.2 | 113.5 | 140 | 0 | 0 | 0 | 0 | 0 | 118.4 | P712 T716 | P712-G714 PolarHBondContact O-N 3.45Å; G714-T716 PolarHBondContact O-N 3.02Å | ||
| 715 | E | 33.4 | Very low | 39.3 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | trans | -38.4 | 96.9 | 165.7 | -61.8 | 173.3 | 161.6 | 0 | 0 | 112.9 | A717 | E715-A717 PolarHBondContact O-N 3.45Š| ||
| 716 | T | 36.4 | Very low | 38.1 | Very low | 128 Ų | 128 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -84.9 | 110.1 | 163.1 | 16.9 | 0 | 0 | 0 | 0 | 107.7 | G714 V718 | G714-T716 PolarHBondContact O-N 3.02Å; T716-V718 PolarHBondContact O-N 2.68Å | ||
| 717 | A | 33.4 | Very low | 37.7 | Very low | 102 Ų | 102 | 143.5 Ų | 143.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -57 | 94.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | E715 A719 | E715-A717 PolarHBondContact O-N 3.45Å; A717-A719 PolarHBondContact O-N 2.79Å; A717-A719 VanDerWaalsContact O-N 3.14Å | ||
| 718 | V | 36.4 | Very low | 37 | Very low | 131 Ų | 131 | 143 Ų | 143 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 111.4 | 170.4 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | T716 Q720 | T716-V718 PolarHBondContact O-N 2.68Å; V718-Q720 PolarHBondContact O-N 3.1Å; V718-Q720 VanDerWaalsContact O-N 3.1Å | ||
| 719 | A | 35.6 | Very low | 37.1 | Very low | 83 Ų | 83 | 141.2 Ų | 141.2 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -47.2 | 117 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | A717 R721 | A717-A719 PolarHBondContact O-N 2.79Å; A717-A719 VanDerWaalsContact O-N 3.14Å; A719-R721 VanDerWaalsContact C-N 3.27Å; A719-R721 PolarHBondContact O-N 3.28Å | ||
| 720 | Q | 33 | Very low | 37.2 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -65.3 | 82 | 177.7 | -68.6 | 177.7 | -14.1 | 0 | 0 | 110.2 | V718 K722 | V718-Q720 PolarHBondContact O-N 3.1Å; V718-Q720 VanDerWaalsContact O-N 3.1Å; Q720-K722 PolarHBondContact O-N 2.89Å | ||
| 721 | R | 35.1 | Very low | 37.3 | Very low | 210 Ų | 210 | 143.9 Ų | 143.9 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | trans | -69.9 | 124 | 165.3 | -86.7 | -176.8 | 174.2 | 175.5 | 0 | 108.4 | A719 V723 | A719-R721 VanDerWaalsContact C-N 3.27Å; A719-R721 PolarHBondContact O-N 3.28Å; R721-V723 PolarHBondContact O-N 3.42Å | ||
| 722 | K | 33.3 | Very low | 37.3 | Very low | 211 Ų | 211 | 139.3 Ų | 139.3 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | trans | -51.4 | 101.2 | 177.1 | -75.9 | 176.3 | 174.7 | 175.1 | 0 | 110.2 | Q720 S724 | Q720-K722 PolarHBondContact O-N 2.89Å; K722-S724 PolarHBondContact O-N 3.49Å; K722-S724 VanDerWaalsContact O-N 3.09Å | ||
| 723 | V | 36.4 | Very low | 37.6 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 83% | 0.83 | 72% | 0.716 | S | S | * | * | trans | -67.4 | 105.2 | 175.4 | 178.5 | 0 | 0 | 0 | 0 | 108.6 | R721 H725 | R721-V723 PolarHBondContact O-N 3.42Å; V723-H725 PolarHBondContact O-N 3.15Å; V723-H725 VanDerWaalsContact O-N 3.16Å | ||
| 724 | S | 36.4 | Very low | 37.5 | Very low | 108 Ų | 108 | 130.8 Ų | 130.8 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -68.7 | 110.9 | 171.7 | 66.3 | 0 | 0 | 0 | 0 | 109.6 | K722 | K722-S724 PolarHBondContact O-N 3.49Å; K722-S724 VanDerWaalsContact O-N 3.09Å | ||
| 725 | H | 34.4 | Very low | 37.8 | Very low | 168 Ų | 168 | 131 Ų | 131 | 78% | 0.778 | 70% | 0.7 | S | S | * | * | trans | 56.6 | 106.8 | 159.1 | -77.6 | 28.3 | 0 | 0 | 0 | 117.5 | V723 R727 | V723-H725 PolarHBondContact O-N 3.15Å; V723-H725 VanDerWaalsContact O-N 3.16Å; H725-R727 PolarHBondContact O-N 2.98Å | ||
| 726 | K | 33 | Very low | 38.3 | Very low | 217 Ų | 217 | 127.5 Ų | 127.5 | 94% | 0.943 | 68% | 0.684 | S | S | * | * | trans | -30.7 | 94.6 | 159.3 | -69 | 173.8 | 174.8 | 176.8 | 0 | 112.7 | ||||
| 727 | R | 44.2 | Very low | 38.8 | Very low | 151 Ų | 151 | 125.9 Ų | 125.9 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | -103.7 | 111.9 | 158.5 | -72.5 | -174.7 | -178.8 | 177.4 | 5.5 | 106.4 | T344 H725 P729 | T344-R727 PolarHBondContact OG1-NH1 2.82Å; T344-R727 VanDerWaalsContact OG1-NH1 3.1Å; T344-R727 PolarHBondContact OG1-NH2 3.33Å; H725-R727 PolarHBondContact O-N 2.98Å; R727-P729 VanDerWaalsContact O-CD 3.29Å; R727-P729 WeakPolarHBondContact O-CD 3.21Å | ||
| 728 | T | 37.3 | Very low | 39.5 | Very low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | trans | -63.2 | 118.5 | 174.1 | 41.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 729 | P | 42.3 | Very low | 39.9 | Very low | 94 Ų | 94 | 129.4 Ų | 129.4 | 61% | 0.61 | 65% | 0.652 | S | S | * | * | trans | -67.1 | 166 | -177.5 | 26.1 | -33.2 | 0 | 0 | 0 | 111.8 | R727 K731 | R727-P729 VanDerWaalsContact O-CD 3.29Å; R727-P729 WeakPolarHBondContact O-CD 3.21Å; P729-K731 PolarHBondContact O-N 3.28Å; P729-K731 VanDerWaalsContact O-N 3.07Å | ||
| 730 | F | 43.1 | Very low | 40.6 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 57% | 0.57 | 64% | 0.639 | S | S | * | * | trans | -51.4 | 114.7 | 164.4 | 169.7 | -101.6 | 0 | 0 | 0 | 109.2 | P732 | F730-P732 HydrophobicContact CE1-CB 4.3Å; F730-P732 HydrophobicContact CE1-CG 4.33Å; F730-P732 HydrophobicContact CZ-CB 4.14Å | ||
| 731 | K | 40.6 | Very low | 41.4 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 42% | 0.422 | 63% | 0.633 | S | S | . | * | trans | -112.1 | 119.3 | 165.1 | -74.7 | -172 | -177.4 | -176 | 0 | 106.7 | P729 A735 E736 | P729-K731 PolarHBondContact O-N 3.28Å; P729-K731 VanDerWaalsContact O-N 3.07Å; K731-A735 HydrophobicContact CB-CB 4.2Å; K731-E736 HydrophobicContact CD-CG 3.97Å; K731-E736 WeakPolarHBondContact CD-OE1 3.22Å; K731-E736 WeakPolarHBondContact CE-OE1 3.46Å; K731-E736 IonicContact NZ-OE1 3.75Å; K731-E736 PolarHBondContact NZ-OE1 3Å | ||
| 732 | P | 39.7 | Very low | 41.9 | Very low | 67 Ų | 67 | 126.4 Ų | 126.4 | 44% | 0.435 | 63% | 0.633 | S | S | . | * | trans | -57.2 | 155.7 | 173.1 | 19.9 | -26 | 0 | 0 | 0 | 109.7 | F730 T734 A735 | F730-P732 HydrophobicContact CE1-CB 4.3Å; F730-P732 HydrophobicContact CE1-CG 4.33Å; F730-P732 HydrophobicContact CZ-CB 4.14Å; P732-T734 PolarHBondContact O-N 3.04Å; P732-A735 HydrophobicContact CG-CB 4.17Å; P732-A735 WeakPolarHBondContact O-CB 3.49Å; P732-A735 PolarHBondContact O-N 3Å | ||
| 733 | S | 45.3 | Very low | 42.6 | Very low | 34 Ų | 34 | 122.1 Ų | 122.1 | 24% | 0.238 | 62% | 0.62 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -62.7 | -25.1 | -156 | 77.7 | 0 | 0 | 0 | 0 | 114.4 | P361 T363 | P361-S733 VanDerWaalsContact CG-CB 3.49Å; T363-S733 CarbonylContact C-O 3.56Å; T363-S733 VanDerWaalsContact C-O 3.26Å; T363-S733 VanDerWaalsContact OG1-CA 3.32Å; T363-S733 WeakPolarHBondContact OG1-CA 3.5Å; T363-S733 WeakPolarHBondContact OG1-CB 3.33Å; T363-S733 PolarHBondContact OG1-O 3.34Å; T363-S733 PolarHBondContact OG1-OG 2.89Å |
| 734 | T | 40.7 | Very low | 43 | Very low | 88 Ų | 88 | 121 Ų | 121 | 54% | 0.54 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.6 | -0.3 | 179.2 | 53.2 | 0 | 0 | 0 | 0 | 113.3 | P732 E736 L737 | P732-T734 PolarHBondContact O-N 3.04Å; T734-E736 PolarHBondContact O-N 3.38Å; T734-E736 VanDerWaalsContact O-N 3.16Å; T734-L737 HydrophobicContact CG2-CD2 4.35Å; T734-L737 WeakPolarHBondContact O-CB 3.24Å; T734-L737 PolarHBondContact O-N 2.79Å |
| 735 | A | 43.5 | Very low | 43.1 | Very low | 63 Ų | 63 | 119.4 Ų | 119.4 | 52% | 0.521 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.4 | -27.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K731 P732 | K731-A735 HydrophobicContact CB-CB 4.2Å; P732-A735 HydrophobicContact CG-CB 4.17Å; P732-A735 WeakPolarHBondContact O-CB 3.49Å; P732-A735 PolarHBondContact O-N 3Å |
| 736 | E | 44.9 | Very low | 43.1 | Very low | 133 Ų | 133 | 117 Ų | 117 | 62% | 0.621 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | 4.2 | 174.6 | -60.7 | -166 | 174.1 | 0 | 0 | 113.4 | K731 T734 R738 | K731-E736 HydrophobicContact CD-CG 3.97Å; K731-E736 WeakPolarHBondContact CD-OE1 3.22Å; K731-E736 WeakPolarHBondContact CE-OE1 3.46Å; K731-E736 IonicContact NZ-OE1 3.75Å; K731-E736 PolarHBondContact NZ-OE1 3Å; T734-E736 PolarHBondContact O-N 3.38Å; T734-E736 VanDerWaalsContact O-N 3.16Å; E736-R738 PolarHBondContact O-N 3.41Å |
| 737 | L | 46.9 | Very low | 43.2 | Very low | 94 Ų | 94 | 113.6 Ų | 113.6 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | trans | -71.3 | 81.3 | 176.8 | -168.9 | 78.7 | 0 | 0 | 0 | 108.9 | L366 T734 I739 | L366-L737 HydrophobicContact CD1-CD1 4.38Å; T734-L737 HydrophobicContact CG2-CD2 4.35Å; T734-L737 WeakPolarHBondContact O-CB 3.24Å; T734-L737 PolarHBondContact O-N 2.79Å; L737-I739 PolarHBondContact O-N 3.46Å | ||
| 738 | R | 46.7 | Very low | 42.7 | Very low | 227 Ų | 227 | 114.4 Ų | 114.4 | 86% | 0.857 | 60% | 0.604 | S | S | * | * | trans | -70.5 | 99.8 | 165.6 | -73.3 | -173.8 | 178.8 | -173.2 | -0.7 | 107.4 | E736 P740 | E736-R738 PolarHBondContact O-N 3.41Å; R738-P740 VanDerWaalsContact O-CD 3.25Å; R738-P740 WeakPolarHBondContact O-CD 3.41Å; R738-P740 VanDerWaalsContact O-N 3.17Å | ||
| 739 | I | 45.3 | Very low | 42.3 | Very low | 80 Ų | 80 | 117.1 Ų | 117.1 | 41% | 0.41 | 61% | 0.607 | S | S | . | * | trans | -57.2 | 118 | 162.9 | -56.2 | 177.9 | 0 | 0 | 0 | 105.6 | L737 L741 L743 Q744 | L737-I739 PolarHBondContact O-N 3.46Å; I739-L741 PolarHBondContact O-N 3.21Å; I739-L743 HydrophobicContact CG2-CB 3.51Å; I739-Q744 HydrophobicContact CB-CG 3.63Å; I739-Q744 HydrophobicContact CG2-CG 3.5Å; I739-Q744 PolarHBondContact O-NE2 2.82Å | ||
| 740 | P | 50.9 | Low | 41.6 | Very low | 63 Ų | 63 | 117.5 Ų | 117.5 | 41% | 0.409 | 62% | 0.618 | S | S | . | * | trans | -50 | 136.1 | 175.8 | -25.6 | 32.8 | 0 | 0 | 0 | 109.4 | R738 R742 L743 Q744 | R738-P740 VanDerWaalsContact O-CD 3.25Å; R738-P740 WeakPolarHBondContact O-CD 3.41Å; R738-P740 VanDerWaalsContact O-N 3.17Å; P740-R742 HydrophobicContact CB-CG 4.06Å; P740-R742 PolarHBondContact O-N 2.86Å; P740-L743 HydrophobicContact CG-CD1 4.27Å; P740-L743 WeakPolarHBondContact O-CA 3.41Å; P740-L743 WeakPolarHBondContact O-CB 3.43Å; P740-L743 PolarHBondContact O-N 3.13Å; P740-Q744 PolarHBondContact O-N 3.49Å | ||
| 741 | L | 48.9 | Very low | 40.9 | Very low | 149 Ų | 149 | 117.5 Ų | 117.5 | 78% | 0.78 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -46.4 | -36.2 | -177.9 | -94.7 | 150.7 | 0 | 0 | 0 | 113.2 | I739 L743 Q744 | I739-L741 PolarHBondContact O-N 3.21Å; L741-L743 PolarHBondContact O-N 3.07Å; L741-L743 VanDerWaalsContact O-N 3.13Å; L741-Q744 PolarHBondContact O-N 3.05Å |
| 742 | R | 46.1 | Very low | 40.3 | Very low | 214 Ų | 214 | 117.3 Ų | 117.3 | 81% | 0.808 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -60.3 | -19.3 | 175.3 | 73.6 | 178.6 | -175.9 | 176.6 | 1.7 | 115.5 | P740 | P740-R742 HydrophobicContact CB-CG 4.06Å; P740-R742 PolarHBondContact O-N 2.86Å |
| 743 | L | 47.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 122.2 Ų | 122.2 | 64% | 0.639 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -106.3 | -4.5 | 178.6 | -67.9 | 178.7 | 0 | 0 | 0 | 112.4 | I739 P740 L741 | I739-L743 HydrophobicContact CG2-CB 3.51Å; P740-L743 HydrophobicContact CG-CD1 4.27Å; P740-L743 WeakPolarHBondContact O-CA 3.41Å; P740-L743 WeakPolarHBondContact O-CB 3.43Å; P740-L743 PolarHBondContact O-N 3.13Å; L741-L743 PolarHBondContact O-N 3.07Å; L741-L743 VanDerWaalsContact O-N 3.13Å |
| 744 | Q | 45.2 | Very low | 38.9 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 52% | 0.523 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -94 | -11.4 | 176.8 | -64.9 | -175.7 | -11 | 0 | 0 | 112.8 | I739 P740 L741 V746 | I739-Q744 HydrophobicContact CB-CG 3.63Å; I739-Q744 HydrophobicContact CG2-CG 3.5Å; I739-Q744 PolarHBondContact O-NE2 2.82Å; P740-Q744 PolarHBondContact O-N 3.49Å; L741-Q744 PolarHBondContact O-N 3.05Å; Q744-V746 PolarHBondContact O-N 3.18Å |
| 745 | A | 38.2 | Very low | 38.2 | Very low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 71% | 0.708 | S | S | * | * | trans | -75.2 | 121.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 746 | V | 35.2 | Very low | 37.4 | Very low | 116 Ų | 116 | 143 Ų | 143 | 70% | 0.703 | 73% | 0.725 | S | S | * | * | trans | -56.8 | 141.2 | 151.8 | 178.7 | 0 | 0 | 0 | 0 | 106.7 | Q744 E748 | Q744-V746 PolarHBondContact O-N 3.18Å; V746-E748 PolarHBondContact O-N 3.28Å | ||
| 747 | V | 33.8 | Very low | 36.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -65.1 | 84.8 | 179.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | ||
| 748 | E | 34.8 | Very low | 36 | Very low | 168 Ų | 168 | 151 Ų | 151 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -118.1 | 134.2 | 164 | -73.9 | -176.5 | 173.3 | 0 | 0 | 107.1 | V746 | V746-E748 PolarHBondContact O-N 3.28Š| ||
| 749 | Q | 29.3 | Very low | 35.3 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -57.3 | 140.2 | -159.5 | -70.5 | 162.8 | -22.5 | 0 | 0 | 113.6 | V751 | Q749-V751 PolarHBondContact O-N 2.72Š| ||
| 750 | A | 26.6 | Very low | 34.8 | Very low | 103 Ų | 103 | 149.2 Ų | 149.2 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -17.1 | 107.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 751 | V | 29.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 157.8 Ų | 157.8 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | -127.6 | 95.4 | 155.7 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | Q749 | Q749-V751 PolarHBondContact O-N 2.72Š| ||
| 752 | S | 28.2 | Very low | 33.9 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | 25.6 | 106.4 | 146.8 | 44.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 753 | L | 26.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 154 Ų | 154 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | 29.5 | 89.3 | 88.3 | -78.4 | 161.4 | 0 | 0 | 0 | 113.6 | |||||
| 754 | Q | 27.1 | Very low | 34.5 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -173.8 | 26.2 | 148.4 | -112.7 | 175.6 | 15.4 | 0 | 0 | 120.9 | ||||
| 755 | K | 27.5 | Very low | 35.2 | Very low | 207 Ų | 207 | 153 Ų | 153 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -126.7 | 86.9 | 168.6 | -73 | -173.7 | 179.4 | 176 | 0 | 113.3 | ||
| 756 | R | 26.8 | Very low | 36.1 | Very low | 229 Ų | 229 | 154.4 Ų | 154.4 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 49.5 | 103.7 | 133.7 | -65 | 175.9 | 176.3 | 178.1 | -2.9 | 115.3 | ||||
| 757 | Q | 28.2 | Very low | 37.1 | Very low | 197 Ų | 197 | 152.5 Ų | 152.5 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | 37.5 | 82.2 | 83.1 | -70.2 | -168 | 0.7 | 0 | 0 | 113.9 | |||||
| 758 | E | 32.9 | Very low | 38.4 | Very low | 200 Ų | 200 | 149.3 Ų | 149.3 | 94% | 0.935 | 77% | 0.768 | S | S | * | * | trans | -122.7 | 95.8 | 145.7 | -80.9 | -175.4 | 172.4 | 0 | 0 | 107.1 | ||||
| 759 | G | 31.7 | Very low | 39.4 | Very low | 71 Ų | 71 | 146.8 Ų | 146.8 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -105 | 122.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 760 | Q | 35.4 | Very low | 40.8 | Very low | 197 Ų | 197 | 144.6 Ų | 144.6 | 92% | 0.921 | 75% | 0.75 | S | S | * | * | trans | -141.7 | 107.6 | 148.4 | -82.4 | -172.9 | -2.5 | 0 | 0 | 107.9 | ||||
| 761 | R | 40.4 | Very low | 42.5 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 136.2 | 170.4 | -81.1 | -178.9 | 174.8 | 178.3 | -0.8 | 108.8 | ||
| 762 | P | 40.8 | Very low | 44.2 | Very low | 115 Ų | 115 | 142.8 Ų | 142.8 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.7 | 176.9 | 24.2 | -30.8 | 0 | 0 | 0 | 111.9 | ||
| 763 | K | 53.8 | Low | 45.6 | Very low | 168 Ų | 168 | 147.5 Ų | 147.5 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 137.6 | -175.5 | -69 | -179.3 | 179.1 | 178.4 | 0 | 111.1 | A765 D766 | K763-A765 PolarHBondContact O-N 2.7Å; K763-A765 VanDerWaalsContact O-N 3.12Å; K763-D766 PolarHBondContact O-N 3.39Å |
| 764 | M | 51.7 | Low | 47 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -56.6 | -28.8 | -177.6 | -163.5 | 70.8 | 145.9 | 0 | 0 | 113.8 | D766 V767 V768 | M764-D766 VanDerWaalsContact C-N 3.3Å; M764-D766 PolarHBondContact O-N 2.9Å; M764-V767 PolarHBondContact O-N 3.38Å; M764-V768 WeakPolarHBondContact O-CG2 3.32Å; M764-V768 PolarHBondContact O-N 3.37Å |
| 765 | A | 61.1 | Low | 48.6 | Very low | 63 Ų | 63 | 144.2 Ų | 144.2 | 52% | 0.521 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -60.9 | -36.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | K763 V767 V768 N769 | K763-A765 PolarHBondContact O-N 2.7Å; K763-A765 VanDerWaalsContact O-N 3.12Å; A765-V767 VanDerWaalsContact C-N 3.34Å; A765-V767 PolarHBondContact O-N 2.92Å; A765-V768 PolarHBondContact O-N 3.43Å; A765-N769 PolarHBondContact O-N 3.04Å; A765-N769 VanDerWaalsContact O-N 3.15Å |
| 766 | D | 55.9 | Low | 49.9 | Very low | 105 Ų | 105 | 142.9 Ų | 142.9 | 56% | 0.561 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -69.6 | -36.1 | -179.4 | -62.8 | -34.7 | 0 | 0 | 0 | 111.3 | K763 M764 Q770 | K763-D766 PolarHBondContact O-N 3.39Å; M764-D766 VanDerWaalsContact C-N 3.3Å; M764-D766 PolarHBondContact O-N 2.9Å; D766-Q770 PolarHBondContact O-N 3.31Å |
| 767 | V | 56.6 | Low | 51.4 | Low | 76 Ų | 76 | 136.3 Ų | 136.3 | 46% | 0.461 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -66.9 | -43.3 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | M764 A765 Q770 V771 | M764-V767 PolarHBondContact O-N 3.38Å; A765-V767 VanDerWaalsContact C-N 3.34Å; A765-V767 PolarHBondContact O-N 2.92Å; V767-Q770 PolarHBondContact O-N 2.75Å; V767-V771 WeakPolarHBondContact O-CG2 3.46Å; V767-V771 PolarHBondContact O-N 3.28Å; V767-V771 VanDerWaalsContact O-N 3.16Å |
| 768 | V | 61.1 | Low | 52.5 | Low | 80 Ų | 80 | 133.6 Ų | 133.6 | 49% | 0.485 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | -179.5 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | M764 A765 Q770 V771 M772 | M764-V768 WeakPolarHBondContact O-CG2 3.32Å; M764-V768 PolarHBondContact O-N 3.37Å; A765-V768 PolarHBondContact O-N 3.43Å; V768-Q770 VanDerWaalsContact C-N 3.3Å; V768-Q770 PolarHBondContact O-N 3.34Å; V768-V771 PolarHBondContact O-N 2.87Å; V768-M772 WeakPolarHBondContact O-CG 3.28Å; V768-M772 PolarHBondContact O-N 3.16Å |
| 769 | N | 56.5 | Low | 53.6 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -62.7 | -36.7 | 177.4 | -83.9 | -21.4 | 0 | 0 | 0 | 112.5 | A765 R773 | A765-N769 PolarHBondContact O-N 3.04Å; A765-N769 VanDerWaalsContact O-N 3.15Å; N769-R773 PolarHBondContact O-N 3.33Å |
| 770 | Q | 57.6 | Low | 54.9 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 65% | 0.654 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.2 | -39.9 | 177.9 | -135.1 | 176 | 9.4 | 0 | 0 | 112.2 | D766 V767 V768 R773 L774 | D766-Q770 PolarHBondContact O-N 3.31Å; V767-Q770 PolarHBondContact O-N 2.75Å; V768-Q770 VanDerWaalsContact C-N 3.3Å; V768-Q770 PolarHBondContact O-N 3.34Å; Q770-R773 PolarHBondContact O-N 2.82Å; Q770-L774 WeakPolarHBondContact O-CG 3.47Å; Q770-L774 PolarHBondContact O-N 2.78Å |
| 771 | V | 62.6 | Low | 55.5 | Low | 76 Ų | 76 | 127 Ų | 127 | 46% | 0.461 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.6 | -41.5 | 177.6 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V767 V768 R773 L774 R775 | V767-V771 WeakPolarHBondContact O-CG2 3.46Å; V767-V771 PolarHBondContact O-N 3.28Å; V767-V771 VanDerWaalsContact O-N 3.16Å; V768-V771 PolarHBondContact O-N 2.87Å; V771-R773 VanDerWaalsContact C-N 3.32Å; V771-R773 PolarHBondContact O-N 3.22Å; V771-L774 PolarHBondContact O-N 3.25Å; V771-R775 PolarHBondContact O-N 2.88Å; V771-R775 VanDerWaalsContact O-N 3.12Å |
| 772 | M | 66.4 | Low | 56 | Low | 118 Ų | 118 | 120.4 Ų | 120.4 | 58% | 0.581 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.5 | -39.1 | 177.2 | -75.9 | -76 | -98.1 | 0 | 0 | 112 | V768 R775 R776 | V768-M772 WeakPolarHBondContact O-CG 3.28Å; V768-M772 PolarHBondContact O-N 3.16Å; M772-R775 PolarHBondContact O-N 3.09Å; M772-R776 PolarHBondContact O-N 3.14Å |
| 773 | R | 55.8 | Low | 56.3 | Low | 193 Ų | 193 | 123 Ų | 123 | 73% | 0.728 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65.8 | -39.5 | 178 | -156.8 | 178.7 | -172.5 | -155.7 | 2.1 | 112.2 | N769 Q770 V771 R776 I777 | N769-R773 PolarHBondContact O-N 3.33Å; Q770-R773 PolarHBondContact O-N 2.82Å; V771-R773 VanDerWaalsContact C-N 3.32Å; V771-R773 PolarHBondContact O-N 3.22Å; R773-R776 PolarHBondContact O-N 2.86Å; R773-I777 WeakPolarHBondContact O-CG1 3.15Å; R773-I777 PolarHBondContact O-N 3.37Å |
| 774 | L | 57.9 | Low | 56 | Low | 113 Ų | 113 | 121.1 Ų | 121.1 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67.7 | -39.3 | 177.9 | -74 | 166.5 | 0 | 0 | 0 | 112.6 | Q770 V771 R776 I777 Q778 | Q770-L774 WeakPolarHBondContact O-CG 3.47Å; Q770-L774 PolarHBondContact O-N 2.78Å; V771-L774 PolarHBondContact O-N 3.25Å; L774-R776 VanDerWaalsContact C-N 3.33Å; L774-R776 PolarHBondContact O-N 2.99Å; L774-I777 PolarHBondContact O-N 2.98Å; L774-Q778 PolarHBondContact O-N 2.75Å |
| 775 | R | 59.4 | Low | 55.7 | Low | 172 Ų | 172 | 120.6 Ų | 120.6 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -62.9 | -38.1 | 175.6 | -84.5 | -172.5 | 177.2 | -177.1 | -0.3 | 112.8 | V771 M772 Q778 Q779 | V771-R775 PolarHBondContact O-N 2.88Å; V771-R775 VanDerWaalsContact O-N 3.12Å; M772-R775 PolarHBondContact O-N 3.09Å; R775-Q778 PolarHBondContact O-N 2.96Å; R775-Q779 PolarHBondContact O-N 3.33Å; R775-Q779 VanDerWaalsContact O-N 3.16Å |
| 776 | R | 55.6 | Low | 54.6 | Low | 179 Ų | 179 | 121.1 Ų | 121.1 | 68% | 0.675 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.7 | -43.6 | -180 | -155.3 | -180 | -76.1 | -179.6 | -4.6 | 111.4 | M772 R773 L774 Q778 Q779 D780 | M772-R776 PolarHBondContact O-N 3.14Å; R773-R776 PolarHBondContact O-N 2.86Å; L774-R776 VanDerWaalsContact C-N 3.33Å; L774-R776 PolarHBondContact O-N 2.99Å; R776-Q778 VanDerWaalsContact C-N 3.27Å; R776-Q778 PolarHBondContact O-N 3.07Å; R776-Q779 PolarHBondContact O-N 2.93Å; R776-D780 PolarHBondContact O-N 2.85Å; R776-D780 VanDerWaalsContact O-N 3.15Å |
| 777 | I | 58 | Low | 53.5 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 47% | 0.467 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -60.5 | -37.6 | 175.1 | -64.6 | 166.8 | 0 | 0 | 0 | 111.4 | R773 L774 D780 I781 | R773-I777 WeakPolarHBondContact O-CG1 3.15Å; R773-I777 PolarHBondContact O-N 3.37Å; L774-I777 PolarHBondContact O-N 2.98Å; I777-D780 PolarHBondContact O-N 2.52Å; I777-I781 HydrophobicContact CG2-CD1 4.07Å; I777-I781 WeakPolarHBondContact O-CG1 3.2Å; I777-I781 PolarHBondContact O-N 3.07Å |
| 778 | Q | 50.7 | Low | 52.7 | Low | 139 Ų | 139 | 127.2 Ų | 127.2 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -70.1 | -32.3 | -179.6 | -137.6 | 173.4 | -1.7 | 0 | 0 | 112.9 | L774 R775 R776 T782 | L774-Q778 PolarHBondContact O-N 2.75Å; R775-Q778 PolarHBondContact O-N 2.96Å; R776-Q778 VanDerWaalsContact C-N 3.27Å; R776-Q778 PolarHBondContact O-N 3.07Å; Q778-T782 PolarHBondContact O-N 2.87Å; Q778-T782 PolarHBondContact O-OG1 2.94Å |
| 779 | Q | 57.7 | Low | 52.3 | Low | 129 Ų | 129 | 129.6 Ų | 129.6 | 60% | 0.603 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.2 | -33.4 | 175.3 | -76.3 | -177.7 | -23.5 | 0 | 0 | 112.9 | R775 R776 I781 T782 K783 | R775-Q779 PolarHBondContact O-N 3.33Å; R775-Q779 VanDerWaalsContact O-N 3.16Å; R776-Q779 PolarHBondContact O-N 2.93Å; Q779-I781 VanDerWaalsContact C-N 3.34Å; Q779-T782 PolarHBondContact O-N 3.45Å; Q779-T782 PolarHBondContact O-OG1 2.9Å; Q779-K783 PolarHBondContact O-N 3.36Å |
| 780 | D | 57.3 | Low | 52 | Low | 95 Ų | 95 | 130.4 Ų | 130.4 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -69.9 | -33.8 | 177.3 | -69 | -24.2 | 0 | 0 | 0 | 111.6 | R776 I777 K783 N784 | R776-D780 PolarHBondContact O-N 2.85Å; R776-D780 VanDerWaalsContact O-N 3.15Å; I777-D780 PolarHBondContact O-N 2.52Å; D780-K783 PolarHBondContact O-N 3.33Å; D780-N784 PolarHBondContact O-N 3.14Å |
| 781 | I | 49.2 | Very low | 51.7 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 54% | 0.538 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -68.6 | -35.4 | 176.5 | -66.1 | 166.5 | 0 | 0 | 0 | 111.8 | I777 Q779 | I777-I781 HydrophobicContact CG2-CD1 4.07Å; I777-I781 WeakPolarHBondContact O-CG1 3.2Å; I777-I781 PolarHBondContact O-N 3.07Å; Q779-I781 VanDerWaalsContact C-N 3.34Å |
| 782 | T | 50.9 | Low | 51.1 | Low | 105 Ų | 105 | 133.1 Ų | 133.1 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.9 | -27 | 178.5 | 39.4 | 0 | 0 | 0 | 0 | 113.4 | Q778 Q779 | Q778-T782 PolarHBondContact O-N 2.87Å; Q778-T782 PolarHBondContact O-OG1 2.94Å; Q779-T782 PolarHBondContact O-N 3.45Å; Q779-T782 PolarHBondContact O-OG1 2.9Å |
| 783 | K | 47 | Very low | 50.1 | Low | 169 Ų | 169 | 134 Ų | 134 | 74% | 0.735 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -74.5 | -35 | 175.9 | -81.8 | -173.9 | 174.9 | -177.6 | 0 | 113.5 | Q779 D780 N785 G786 | Q779-K783 PolarHBondContact O-N 3.36Å; D780-K783 PolarHBondContact O-N 3.33Å; K783-N785 VanDerWaalsContact C-N 3.29Å; K783-N785 PolarHBondContact O-N 3.26Å; K783-G786 PolarHBondContact O-N 3.39Å |
| 784 | N | 46.9 | Very low | 49.8 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 70% | 0.695 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -7.9 | -177 | -80.4 | -3.1 | 0 | 0 | 0 | 115 | D780 | D780-N784 PolarHBondContact O-N 3.14Š|
| 785 | N | 44.7 | Very low | 49.2 | Very low | 141 Ų | 141 | 131.3 Ų | 131.3 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 5.9 | 176.1 | -76.6 | -10.4 | 0 | 0 | 0 | 113.8 | K783 | K783-N785 VanDerWaalsContact C-N 3.29Å; K783-N785 PolarHBondContact O-N 3.26Å |
| 786 | G | 39.3 | Very low | 48.4 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -98.7 | 3.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | K783 | K783-G786 PolarHBondContact O-N 3.39Š|
| 787 | S | 33.2 | Very low | 47.8 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | trans | -129.9 | 65.2 | -176 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 788 | V | 38.7 | Very low | 46.9 | Very low | 216 Ų | 216 | 126.9 Ų | 126.9 | 100% | 1.309 | 71% | 0.713 | S | S | * | * | trans | -145.1 | 0 | 152.2 | -177.1 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 788 of 788 residues in 565.2 ms
(Link to these results)