| 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 | 88.2 | Confident | 93.1 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | 0 | -53.7 | 0 | -159 | 59.2 | -170.1 | 0 | 0 | 114.2 | L3 V4 L5 R116 F117 W171 Q174 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.47Å; M1-V4 WeakPolarHBondContact O-CB 3.43Å; M1-V4 PolarHBondContact O-N 3.35Å; M1-L5 HydrophobicContact CE-CD2 4.47Å; M1-L5 PolarHBondContact O-N 3.31Å; M1-L5 VanDerWaalsContact O-N 3.07Å; M1-R116 PolarHBondContact SD-NH1 2.99Å; M1-F117 HydrophobicContact CB-CZ 4.2Å; M1-F117 HydrophobicContact CG-CE2 4.34Å; M1-F117 HydrophobicContact CG-CZ 4.11Å; M1-W171 HydrophobicContact CE-CE3 3.78Å; M1-W171 HydrophobicContact CE-CH2 4.17Å; M1-W171 HydrophobicContact CE-CZ3 3.26Å; M1-Q174 HydrophobicContact SD-CB 4.28Å | |||
| 2 | L | 91 | Very high | 92.9 | Very high | 73 Ų | 73 | 33 Ų | 33 | 38% | 0.382 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -53.8 | -45.2 | 179.5 | -72.1 | 170.2 | 0 | 0 | 0 | 113 | V4 L5 V6 F117 V124 | L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.46Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3Å; L2-L5 VanDerWaalsContact O-N 3.11Å; L2-V6 WeakPolarHBondContact O-CG2 3.31Å; L2-V6 PolarHBondContact O-N 3.08Å; L2-F117 HydrophobicContact CD1-CE1 4.48Å; L2-F117 HydrophobicContact CD2-CD1 4.22Å; L2-F117 HydrophobicContact CD2-CE1 3.55Å; L2-F117 HydrophobicContact CD2-CE2 4.32Å; L2-F117 HydrophobicContact CD2-CZ 3.6Å; L2-F117 HydrophobicContact CG-CE1 3.81Å; L2-F117 HydrophobicContact CG-CZ 3.91Å; L2-V124 HydrophobicContact CD2-CG1 4.04Å; L2-V124 HydrophobicContact CD2-CG2 3.77Å |
| 3 | L | 93.2 | Very high | 92.7 | Very high | 137 Ų | 137 | 33.4 Ų | 33.4 | 72% | 0.717 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -60.1 | -35.3 | 176.9 | -173.4 | 130 | 0 | 0 | 0 | 112.9 | M1 V6 L7 | M1-L3 VanDerWaalsContact C-N 3.31Å; M1-L3 PolarHBondContact O-N 3.47Å; L3-V6 PolarHBondContact O-N 3.11Å; L3-L7 VanDerWaalsContact O-CB 3.3Å; L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 PolarHBondContact O-N 2.97Å |
| 4 | V | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.5 | -41.2 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 111 | M1 L2 V6 L7 I8 A170 W171 Q174 | M1-V4 WeakPolarHBondContact O-CB 3.43Å; M1-V4 PolarHBondContact O-N 3.35Å; L2-V4 VanDerWaalsContact C-N 3.27Å; L2-V4 PolarHBondContact O-N 3.46Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.44Å; V4-L7 PolarHBondContact O-N 3.26Å; V4-I8 HydrophobicContact CG1-CD1 3.74Å; V4-I8 HydrophobicContact CG1-CG1 4.24Å; V4-I8 WeakPolarHBondContact O-CB 3.35Å; V4-I8 WeakPolarHBondContact O-CG1 3.38Å; V4-I8 PolarHBondContact O-N 3.23Å; V4-A170 HydrophobicContact CG2-CB 3.87Å; V4-W171 HydrophobicContact CG1-CB 4.03Å; V4-W171 HydrophobicContact CG1-CE3 4.04Å; V4-Q174 VanDerWaalsContact CG2-CD 3.49Å |
| 5 | L | 92.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 175.7 | -67.8 | 177.2 | 0 | 0 | 0 | 111.7 | M1 L2 I8 G9 M109 I113 F117 V124 | M1-L5 HydrophobicContact CE-CD2 4.47Å; M1-L5 PolarHBondContact O-N 3.31Å; M1-L5 VanDerWaalsContact O-N 3.07Å; L2-L5 WeakPolarHBondContact O-CB 3.47Å; L2-L5 PolarHBondContact O-N 3Å; L2-L5 VanDerWaalsContact O-N 3.11Å; L5-I8 PolarHBondContact O-N 3.02Å; L5-G9 PolarHBondContact O-N 3.48Å; L5-M109 HydrophobicContact CD2-CG 4.23Å; L5-M109 HydrophobicContact CD2-SD 3.31Å; L5-M109 WeakPolarHBondContact CD2-SD 3.38Å; L5-I113 HydrophobicContact CD1-CG1 4.03Å; L5-I113 HydrophobicContact CD2-CG1 4.33Å; L5-F117 HydrophobicContact CD1-CD2 4.2Å; L5-F117 HydrophobicContact CD1-CE2 3.46Å; L5-F117 VanDerWaalsContact CD1-CE2 3.46Å; L5-F117 HydrophobicContact CD1-CZ 4.11Å; L5-V124 HydrophobicContact CD1-CG1 3.76Å |
| 6 | V | 93.5 | Very high | 92.6 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 24% | 0.242 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | L2 L3 V4 I8 G9 L10 L127 A131 | L2-V6 WeakPolarHBondContact O-CG2 3.31Å; L2-V6 PolarHBondContact O-N 3.08Å; L3-V6 PolarHBondContact O-N 3.11Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 PolarHBondContact O-N 3.44Å; V6-I8 PolarHBondContact O-N 2.98Å; V6-G9 PolarHBondContact O-N 2.92Å; V6-G9 VanDerWaalsContact O-N 3.1Å; V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 HydrophobicContact CG1-CG 4.34Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.12Å; V6-L127 HydrophobicContact CG2-CD1 3.94Å; V6-L127 HydrophobicContact CG2-CD2 3.69Å; V6-L127 HydrophobicContact CG2-CG 3.7Å; V6-A131 HydrophobicContact CB-CB 4.46Å; V6-A131 HydrophobicContact CG1-CB 4.12Å |
| 7 | L | 95 | Very high | 92.7 | Very high | 33 Ų | 33 | 26.4 Ų | 26.4 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -40.9 | -179.6 | -173.8 | 62.4 | 0 | 0 | 0 | 112.3 | L3 V4 L10 N11 V166 A167 | L3-L7 VanDerWaalsContact O-CB 3.3Å; L3-L7 WeakPolarHBondContact O-CB 3.42Å; L3-L7 PolarHBondContact O-N 2.97Å; V4-L7 PolarHBondContact O-N 3.26Å; L7-L10 PolarHBondContact O-N 3.07Å; L7-N11 PolarHBondContact O-N 2.94Å; L7-N11 PolarHBondContact O-ND2 3.42Å; L7-V166 HydrophobicContact CD2-CB 4.35Å; L7-V166 HydrophobicContact CD2-CG1 3.8Å; L7-A167 HydrophobicContact CD2-CB 4.03Å; L7-A167 HydrophobicContact CG-CB 3.86Å |
| 8 | I | 95.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 173.1 | -65.8 | 166.2 | 0 | 0 | 0 | 110.3 | V4 L5 V6 L10 N11 M12 V68 L72 I105 M109 W128 A167 W171 | V4-I8 HydrophobicContact CG1-CD1 3.74Å; V4-I8 HydrophobicContact CG1-CG1 4.24Å; V4-I8 WeakPolarHBondContact O-CB 3.35Å; V4-I8 WeakPolarHBondContact O-CG1 3.38Å; V4-I8 PolarHBondContact O-N 3.23Å; L5-I8 PolarHBondContact O-N 3.02Å; V6-I8 PolarHBondContact O-N 2.98Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.5Å; I8-N11 PolarHBondContact O-N 2.77Å; I8-N11 VanDerWaalsContact O-N 3.13Å; I8-M12 WeakPolarHBondContact O-CG 3.45Å; I8-V68 HydrophobicContact CD1-CG1 3.89Å; I8-L72 HydrophobicContact CD1-CD1 4.43Å; I8-L72 HydrophobicContact CG1-CD1 4.09Å; I8-L72 HydrophobicContact CG1-CD2 4.37Å; I8-L72 HydrophobicContact CG2-CD2 4.31Å; I8-I105 HydrophobicContact CG2-CD1 4.15Å; I8-I105 HydrophobicContact CG2-CG2 3.78Å; I8-M109 HydrophobicContact CD1-CE 3.94Å; I8-M109 HydrophobicContact CG2-CE 3.89Å; I8-W128 HydrophobicContact CB-CZ3 4.27Å; I8-W128 HydrophobicContact CG2-CH2 4.09Å; I8-W128 HydrophobicContact CG2-CZ3 4Å; I8-A167 HydrophobicContact CG1-CB 4.2Å; I8-W171 HydrophobicContact CD1-CB 4.36Å; I8-W171 HydrophobicContact CD1-CD2 4.2Å; I8-W171 HydrophobicContact CD1-CE3 3.66Å; I8-W171 HydrophobicContact CD1-CG 4.49Å; I8-W171 HydrophobicContact CD1-CZ3 4.3Å |
| 9 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L5 V6 N11 M12 A131 L132 | L5-G9 PolarHBondContact O-N 3.48Å; V6-G9 PolarHBondContact O-N 2.92Å; V6-G9 VanDerWaalsContact O-N 3.1Å; G9-N11 PolarHBondContact O-N 3.06Å; G9-M12 WeakPolarHBondContact O-CB 3.43Å; G9-M12 PolarHBondContact O-N 3.18Å; G9-M12 VanDerWaalsContact O-N 3.12Å; G9-A131 CarbonylContact C-O 3.43Å; G9-L132 WeakPolarHBondContact O-CA 3.47Å |
| 10 | L | 94.2 | Very high | 92.7 | Very high | 50 Ų | 50 | 22.7 Ų | 22.7 | 26% | 0.262 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -60.2 | -26.1 | 177.2 | -72.1 | 172.5 | 0 | 0 | 0 | 113.2 | V6 L7 I8 P14 A131 G135 L138 | V6-L10 HydrophobicContact CG1-CD1 4.09Å; V6-L10 HydrophobicContact CG1-CG 4.34Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.12Å; L7-L10 PolarHBondContact O-N 3.07Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.5Å; L10-P14 WeakPolarHBondContact O-CD 3.41Å; L10-P14 WeakPolarHBondContact O-CG 3.28Å; L10-A131 HydrophobicContact CG-CB 4.49Å; L10-G135 WeakPolarHBondContact O-CA 3.27Å; L10-L138 HydrophobicContact CD2-CD1 4.06Å |
| 11 | N | 94.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -8.9 | 179.7 | -78.3 | -74.1 | 0 | 0 | 0 | 114.3 | L7 I8 G9 R13 P163 A164 | L7-N11 PolarHBondContact O-N 2.94Å; L7-N11 PolarHBondContact O-ND2 3.42Å; I8-N11 PolarHBondContact O-N 2.77Å; I8-N11 VanDerWaalsContact O-N 3.13Å; G9-N11 PolarHBondContact O-N 3.06Å; N11-R13 PolarHBondContact O-N 2.98Å; N11-P163 VanDerWaalsContact ND2-C 3.28Å; N11-P163 PolarHBondContact ND2-O 3.41Å; N11-P163 WeakPolarHBondContact OD1-CB 3.47Å; N11-P163 WeakPolarHBondContact OD1-CG 3.32Å; N11-A164 VanDerWaalsContact OD1-CA 3.29Å; N11-A164 WeakPolarHBondContact OD1-CA 3.34Å; N11-A164 PolarHBondContact OD1-N 3.48Å |
| 12 | M | 90.3 | Very high | 93 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.03 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -21.3 | -169.7 | -71.8 | -84.8 | 95.2 | 0 | 0 | 115.3 | I8 G9 I75 I102 I105 W128 L132 | I8-M12 WeakPolarHBondContact O-CG 3.45Å; G9-M12 WeakPolarHBondContact O-CB 3.43Å; G9-M12 PolarHBondContact O-N 3.18Å; G9-M12 VanDerWaalsContact O-N 3.12Å; M12-I75 HydrophobicContact CE-CD1 3.26Å; M12-I102 HydrophobicContact CE-CB 4.23Å; M12-I102 HydrophobicContact CE-CG1 3.9Å; M12-I102 HydrophobicContact CE-CG2 4.41Å; M12-I102 WeakPolarHBondContact O-CD1 3.45Å; M12-I102 HydrophobicContact SD-CB 4.48Å; M12-I102 HydrophobicContact SD-CG2 4.05Å; M12-I105 HydrophobicContact CE-CB 3.62Å; M12-I105 HydrophobicContact CE-CD1 3.35Å; M12-I105 HydrophobicContact CE-CG1 4.05Å; M12-I105 HydrophobicContact CE-CG2 3.68Å; M12-I105 HydrophobicContact CG-CG2 4.33Å; M12-I105 HydrophobicContact SD-CB 3.66Å; M12-I105 HydrophobicContact SD-CD1 4.47Å; M12-I105 HydrophobicContact SD-CG2 3.3Å; M12-I105 WeakPolarHBondContact SD-CG2 3.46Å; M12-W128 HydrophobicContact CG-CH2 4.03Å; M12-W128 HydrophobicContact SD-CH2 4.39Å; M12-L132 HydrophobicContact CB-CD2 3.3Å; M12-L132 HydrophobicContact CG-CD2 3.35Å; M12-L132 HydrophobicContact SD-CD2 4.48Å |
| 13 | R | 91.4 | Very high | 93.1 | Very high | 38 Ų | 38 | 16.1 Ų | 16.1 | 14% | 0.143 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -27.1 | -174.9 | -67.2 | -162.7 | 178.5 | -170.6 | -10.8 | 115.8 | N11 L15 L16 T17 L132 Y212 Q244 | N11-R13 PolarHBondContact O-N 2.98Å; R13-L15 PolarHBondContact O-N 2.97Å; R13-L15 VanDerWaalsContact O-N 3.14Å; R13-L16 PolarHBondContact O-N 3.42Å; R13-T17 HydrophobicContact CB-CG2 4.36Å; R13-T17 PolarHBondContact O-N 3.12Å; R13-T17 PolarHBondContact O-OG1 3.08Å; R13-L132 WeakPolarHBondContact CD-O 3.2Å; R13-L132 WeakPolarHBondContact CG-O 3.15Å; R13-Y212 WeakPolarHBondContact CD-OH 3.2Å; R13-Y212 PolarHBondContact NE-OH 3.04Å; R13-Y212 VanDerWaalsContact NH1-CE2 3.3Å; R13-Y212 VanDerWaalsContact NH1-CZ 3.27Å; R13-Y212 PolarHBondContact NH1-OH 3.32Å; R13-Y212 PolarHBondContact NH2-OH 2.89Å; R13-Q244 VanDerWaalsContact NH1-OE1 3.17Å |
| 14 | P | 92.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.013 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -54.4 | -36.2 | -178.1 | -23.3 | 26.9 | 0 | 0 | 0 | 114.5 | L10 L16 T17 S18 G135 W160 | L10-P14 WeakPolarHBondContact O-CD 3.41Å; L10-P14 WeakPolarHBondContact O-CG 3.28Å; P14-L16 PolarHBondContact O-N 3.39Å; P14-T17 PolarHBondContact O-N 3.24Å; P14-S18 WeakPolarHBondContact O-CB 3.15Å; P14-S18 PolarHBondContact O-N 3.14Å; P14-S18 PolarHBondContact O-OG 3.46Å; P14-G135 WeakPolarHBondContact CG-O 3.41Å; P14-W160 HydrophobicContact CB-CB 4.37Å; P14-W160 HydrophobicContact CB-CD2 3.31Å; P14-W160 HydrophobicContact CB-CE3 3.21Å; P14-W160 HydrophobicContact CB-CG 3.81Å; P14-W160 HydrophobicContact CB-CH2 4.18Å; P14-W160 HydrophobicContact CB-CZ2 4.28Å; P14-W160 HydrophobicContact CB-CZ3 3.66Å; P14-W160 HydrophobicContact CG-CD2 4.11Å; P14-W160 HydrophobicContact CG-CE3 3.46Å; P14-W160 VanDerWaalsContact CG-CE3 3.46Å; P14-W160 HydrophobicContact CG-CH2 4.31Å; P14-W160 HydrophobicContact CG-CZ3 3.56Å |
| 15 | L | 92.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 15.6 Ų | 15.6 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59 | -30.8 | 176.9 | -169.8 | 77.8 | 0 | 0 | 0 | 112.8 | R13 A79 R82 G98 I102 | R13-L15 PolarHBondContact O-N 2.97Å; R13-L15 VanDerWaalsContact O-N 3.14Å; L15-A79 HydrophobicContact CD1-CB 4.15Å; L15-R82 PolarHBondContact O-NH1 3.43Å; L15-R82 PolarHBondContact O-NH2 3.3Å; L15-R82 VanDerWaalsContact O-NH2 3.12Å; L15-G98 VanDerWaalsContact CD2-CA 3.49Å; L15-I102 HydrophobicContact CB-CD1 4.43Å; L15-I102 HydrophobicContact CD2-CD1 4.16Å |
| 16 | L | 91.9 | Very high | 93.2 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 5% | 0.047 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -88 | -46.3 | 176.4 | -71.1 | 73.4 | 0 | 0 | 0 | 111 | R13 P14 P44 V45 I102 I216 | R13-L16 PolarHBondContact O-N 3.42Å; P14-L16 PolarHBondContact O-N 3.39Å; L16-P44 HydrophobicContact CD1-CB 3.82Å; L16-P44 HydrophobicContact CD1-CG 4.16Å; L16-P44 HydrophobicContact CD2-CB 3.88Å; L16-P44 HydrophobicContact CD2-CG 4.47Å; L16-P44 HydrophobicContact CG-CB 3.86Å; L16-P44 HydrophobicContact CG-CG 4.03Å; L16-V45 HydrophobicContact CD2-CG2 3.96Å; L16-I102 HydrophobicContact CD1-CD1 3.38Å; L16-I216 HydrophobicContact CB-CG2 4.4Å |
| 17 | T | 92.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -82.8 | -24.6 | -168.1 | 58.1 | 0 | 0 | 0 | 0 | 114.4 | R13 P14 V19 G20 P21 G136 I216 L237 | R13-T17 HydrophobicContact CB-CG2 4.36Å; R13-T17 PolarHBondContact O-N 3.12Å; R13-T17 PolarHBondContact O-OG1 3.08Å; P14-T17 PolarHBondContact O-N 3.24Å; T17-V19 PolarHBondContact O-N 3.34Å; T17-G20 PolarHBondContact O-N 3.11Å; T17-P21 VanDerWaalsContact O-CD 3.31Å; T17-P21 WeakPolarHBondContact O-CD 3.41Å; T17-G136 VanDerWaalsContact CB-O 3.24Å; T17-G136 WeakPolarHBondContact CB-O 3.12Å; T17-G136 WeakPolarHBondContact OG1-CA 3.37Å; T17-G136 PolarHBondContact OG1-O 3.29Å; T17-I216 HydrophobicContact CG2-CD1 3.73Å; T17-I216 HydrophobicContact CG2-CG1 4.12Å; T17-I216 HydrophobicContact CG2-CG2 4.04Å; T17-L237 HydrophobicContact CG2-CD2 4.43Å |
| 18 | S | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25.5 | 173.5 | 57.8 | 0 | 0 | 0 | 0 | 113 | P14 T143 L157 | P14-S18 WeakPolarHBondContact O-CB 3.15Å; P14-S18 PolarHBondContact O-N 3.14Å; P14-S18 PolarHBondContact O-OG 3.46Å; S18-T143 WeakPolarHBondContact CB-OG1 3.5Å; S18-L157 WeakPolarHBondContact OG-CD2 3.38Å |
| 19 | V | 93.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -69.8 | -37.5 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | T17 L22 L23 L26 L40 | T17-V19 PolarHBondContact O-N 3.34Å; V19-L22 CarbonylContact O-C 3.6Å; V19-L22 PolarHBondContact O-N 3.4Å; V19-L22 VanDerWaalsContact O-N 3.12Å; V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 WeakPolarHBondContact O-CA 3.31Å; V19-L23 PolarHBondContact O-N 3.22Å; V19-L26 HydrophobicContact CG1-CD1 3.82Å; V19-L40 HydrophobicContact CG1-CB 4.16Å; V19-L40 HydrophobicContact CG1-CD1 3.68Å |
| 20 | G | 91.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.9 | -55.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T17 L22 L23 | T17-G20 PolarHBondContact O-N 3.11Å; G20-L22 VanDerWaalsContact C-N 3.25Å; G20-L22 PolarHBondContact O-N 3.37Å; G20-L23 VanDerWaalsContact O-CB 3.25Å; G20-L23 WeakPolarHBondContact O-CB 3.42Å; G20-L23 PolarHBondContact O-N 2.9Å |
| 21 | P | 93.4 | Very high | 93 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.5 | -24.7 | 178.8 | -24.1 | 34.7 | 0 | 0 | 0 | 114.9 | T17 A140 P144 P220 I224 | T17-P21 VanDerWaalsContact O-CD 3.31Å; T17-P21 WeakPolarHBondContact O-CD 3.41Å; P21-A140 WeakPolarHBondContact CG-O 3.32Å; P21-P144 HydrophobicContact CB-CG 3.54Å; P21-P144 HydrophobicContact CG-CG 4.06Å; P21-P220 HydrophobicContact CB-CB 4.4Å; P21-P220 HydrophobicContact CG-CB 4.06Å; P21-P220 HydrophobicContact CG-CG 4.23Å; P21-I224 WeakPolarHBondContact O-CD1 3.47Å |
| 22 | L | 94.1 | Very high | 92.9 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -98.7 | 1.2 | 179.1 | -54.7 | -169.4 | 0 | 0 | 0 | 112.7 | V19 G20 Q25 L26 T143 V147 W153 L157 | V19-L22 CarbonylContact O-C 3.6Å; V19-L22 PolarHBondContact O-N 3.4Å; V19-L22 VanDerWaalsContact O-N 3.12Å; G20-L22 VanDerWaalsContact C-N 3.25Å; G20-L22 PolarHBondContact O-N 3.37Å; L22-Q25 PolarHBondContact O-N 2.69Å; L22-Q25 VanDerWaalsContact O-N 3.1Å; L22-L26 HydrophobicContact CB-CD1 4.25Å; L22-L26 HydrophobicContact CB-CG 4.35Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.09Å; L22-T143 HydrophobicContact CD1-CG2 3.59Å; L22-T143 HydrophobicContact CD2-CG2 4.49Å; L22-T143 HydrophobicContact CG-CG2 3.93Å; L22-V147 HydrophobicContact CD1-CG2 3.88Å; L22-V147 HydrophobicContact CD2-CG2 3.75Å; L22-V147 HydrophobicContact CG-CG2 4.48Å; L22-W153 HydrophobicContact CD1-CE3 4.31Å; L22-L157 HydrophobicContact CD1-CD2 3.99Å; L22-L157 HydrophobicContact CD1-CG 4.11Å |
| 23 | L | 92.8 | Very high | 93 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.4 | -42 | -172.2 | -169.3 | 66.4 | 0 | 0 | 0 | 113 | V19 G20 Q25 L26 R27 A37 L40 A217 W218 A221 | V19-L23 HydrophobicContact CG1-CD1 3.96Å; V19-L23 WeakPolarHBondContact O-CA 3.31Å; V19-L23 PolarHBondContact O-N 3.22Å; G20-L23 VanDerWaalsContact O-CB 3.25Å; G20-L23 WeakPolarHBondContact O-CB 3.42Å; G20-L23 PolarHBondContact O-N 2.9Å; L23-Q25 PolarHBondContact O-N 3.49Å; L23-L26 PolarHBondContact O-N 3.15Å; L23-R27 WeakPolarHBondContact O-CB 3.44Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.26Å; L23-R27 PolarHBondContact O-N 2.94Å; L23-A37 HydrophobicContact CD1-CB 3.81Å; L23-L40 HydrophobicContact CD1-CD1 4.48Å; L23-A217 WeakPolarHBondContact CD2-O 3.49Å; L23-W218 HydrophobicContact CD2-CD2 4.41Å; L23-W218 HydrophobicContact CD2-CE3 3.52Å; L23-W218 HydrophobicContact CD2-CH2 3.96Å; L23-W218 HydrophobicContact CD2-CZ3 3.26Å; L23-W218 HydrophobicContact CG-CZ3 4.39Å; L23-A221 HydrophobicContact CD2-CB 4.17Å |
| 24 | P | 92.6 | Very high | 92.9 | Very high | 49 Ų | 49 | 28 Ų | 28 | 32% | 0.318 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.8 | -24.3 | 36.2 | 0 | 0 | 0 | 112.9 | R27 Q28 I224 | P24-R27 PolarHBondContact O-N 3.02Å; P24-Q28 PolarHBondContact O-N 2.78Å; P24-I224 HydrophobicContact CG-CD1 4.3Å; P24-I224 HydrophobicContact CG-CG2 4.19Å |
| 25 | Q | 93.2 | Very high | 92.7 | Very high | 76 Ų | 76 | 29 Ų | 29 | 36% | 0.355 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.1 | -43.7 | -179.6 | -65.4 | 169.2 | -21.9 | 0 | 0 | 111.5 | L22 L23 R27 Q28 A29 W153 | L22-Q25 PolarHBondContact O-N 2.69Å; L22-Q25 VanDerWaalsContact O-N 3.1Å; L23-Q25 PolarHBondContact O-N 3.49Å; Q25-R27 VanDerWaalsContact C-N 3.31Å; Q25-R27 PolarHBondContact O-N 3.28Å; Q25-Q28 PolarHBondContact O-N 2.6Å; Q25-A29 WeakPolarHBondContact O-CB 3.42Å; Q25-A29 PolarHBondContact O-N 3.21Å; Q25-W153 HydrophobicContact CB-CE3 4.28Å; Q25-W153 HydrophobicContact CB-CH2 3.8Å; Q25-W153 HydrophobicContact CB-CZ2 4.19Å; Q25-W153 HydrophobicContact CB-CZ3 3.85Å |
| 26 | L | 94.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.4 | -44 | 174.8 | -74.5 | 171.4 | 0 | 0 | 0 | 111.4 | V19 L22 L23 A29 S30 P86 L91 W153 L157 | V19-L26 HydrophobicContact CG1-CD1 3.82Å; L22-L26 HydrophobicContact CB-CD1 4.25Å; L22-L26 HydrophobicContact CB-CG 4.35Å; L22-L26 WeakPolarHBondContact O-CG 3.47Å; L22-L26 PolarHBondContact O-N 3.09Å; L23-L26 PolarHBondContact O-N 3.15Å; L26-A29 PolarHBondContact O-N 3.14Å; L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 2.94Å; L26-S30 PolarHBondContact O-OG 2.85Å; L26-P86 HydrophobicContact CD2-CB 4Å; L26-P86 HydrophobicContact CD2-CG 4.1Å; L26-L91 HydrophobicContact CD2-CD1 4.02Å; L26-L91 HydrophobicContact CD2-CD2 4.25Å; L26-W153 HydrophobicContact CD2-CH2 3.85Å; L26-W153 HydrophobicContact CD2-CZ3 3.86Å; L26-W153 HydrophobicContact CG-CH2 4.17Å; L26-W153 HydrophobicContact CG-CZ3 4.04Å; L26-L157 HydrophobicContact CD1-CD1 4.22Å; L26-L157 HydrophobicContact CD2-CD1 4.05Å |
| 27 | R | 94.3 | Very high | 92.8 | Very high | 53 Ų | 53 | 30.7 Ų | 30.7 | 20% | 0.2 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | 177.7 | -75 | -179.6 | 62.2 | -135.6 | -5.3 | 112.4 | L23 P24 Q25 S30 G31 M32 A37 | L23-R27 WeakPolarHBondContact O-CB 3.44Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.26Å; L23-R27 PolarHBondContact O-N 2.94Å; P24-R27 PolarHBondContact O-N 3.02Å; Q25-R27 VanDerWaalsContact C-N 3.31Å; Q25-R27 PolarHBondContact O-N 3.28Å; R27-S30 PolarHBondContact O-N 3.3Å; R27-S30 PolarHBondContact O-OG 3.21Å; R27-G31 WeakPolarHBondContact O-CA 3.39Å; R27-G31 PolarHBondContact O-N 3.39Å; R27-M32 HydrophobicContact CG-CB 4.25Å; R27-M32 PolarHBondContact NE-O 2.89Å; R27-M32 VanDerWaalsContact NE-O 3.09Å; R27-M32 PolarHBondContact O-N 3.37Å; R27-A37 HydrophobicContact CG-CB 3.56Å |
| 28 | Q | 93.6 | Very high | 92.7 | Very high | 172 Ų | 172 | 30.7 Ų | 30.7 | 80% | 0.804 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -62.5 | -42.3 | 177.8 | -172.8 | 178.9 | 2.4 | 0 | 0 | 111.8 | P24 Q25 | P24-Q28 PolarHBondContact O-N 2.78Å; Q25-Q28 PolarHBondContact O-N 2.6Å |
| 29 | A | 94.3 | Very high | 92.7 | Very high | 26 Ų | 26 | 33 Ų | 33 | 22% | 0.215 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.9 | -36.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q25 L26 Y85 P86 W153 | Q25-A29 WeakPolarHBondContact O-CB 3.42Å; Q25-A29 PolarHBondContact O-N 3.21Å; L26-A29 PolarHBondContact O-N 3.14Å; A29-Y85 PolarHBondContact O-OH 3.14Å; A29-P86 HydrophobicContact CB-CB 4.09Å; A29-P86 HydrophobicContact CB-CG 4.34Å; A29-W153 HydrophobicContact CB-CH2 4.4Å; A29-W153 HydrophobicContact CB-CZ2 4.02Å |
| 30 | S | 94.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 33 Ų | 33 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -93.7 | -15.7 | -175.2 | 61 | 0 | 0 | 0 | 0 | 114.9 | L26 R27 M32 P86 S88 | L26-S30 VanDerWaalsContact O-CB 3.24Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 2.94Å; L26-S30 PolarHBondContact O-OG 2.85Å; R27-S30 PolarHBondContact O-N 3.3Å; R27-S30 PolarHBondContact O-OG 3.21Å; S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 WeakPolarHBondContact OG-CE 3.41Å; S30-M32 VanDerWaalsContact OG-CG 3.3Å; S30-M32 WeakPolarHBondContact OG-CG 3.45Å; S30-M32 PolarHBondContact OG-N 2.96Å; S30-P86 VanDerWaalsContact CA-O 3.31Å; S30-P86 WeakPolarHBondContact CA-O 3.28Å; S30-P86 VanDerWaalsContact CB-O 3.28Å; S30-P86 WeakPolarHBondContact CB-O 3.24Å; S30-S88 PolarHBondContact O-OG 2.95Å |
| 31 | G | 92.3 | Very high | 92.6 | Very high | 66 Ų | 66 | 33.2 Ų | 33.2 | 68% | 0.68 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | 12.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R27 | R27-G31 WeakPolarHBondContact O-CA 3.39Å; R27-G31 PolarHBondContact O-N 3.39Å |
| 32 | M | 92.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.039 | 20% | 0.197 | C | C | . | . | trans | -67 | 133.2 | -177 | -75.6 | -173.7 | -77.5 | 0 | 0 | 113.5 | R27 S30 V36 A37 L40 S88 L91 | R27-M32 HydrophobicContact CG-CB 4.25Å; R27-M32 PolarHBondContact NE-O 2.89Å; R27-M32 VanDerWaalsContact NE-O 3.09Å; R27-M32 PolarHBondContact O-N 3.37Å; S30-M32 VanDerWaalsContact C-N 3.3Å; S30-M32 WeakPolarHBondContact OG-CE 3.41Å; S30-M32 VanDerWaalsContact OG-CG 3.3Å; S30-M32 WeakPolarHBondContact OG-CG 3.45Å; S30-M32 PolarHBondContact OG-N 2.96Å; M32-V36 HydrophobicContact CB-CB 4.32Å; M32-V36 HydrophobicContact CB-CG1 4.32Å; M32-V36 HydrophobicContact CG-CB 4.28Å; M32-V36 HydrophobicContact CG-CG1 3.74Å; M32-V36 HydrophobicContact SD-CG1 3.79Å; M32-A37 HydrophobicContact CB-CB 4.29Å; M32-L40 HydrophobicContact CE-CD1 4.11Å; M32-S88 WeakPolarHBondContact CG-OG 3.32Å; M32-L91 HydrophobicContact CE-CD1 3.41Å; M32-L91 VanDerWaalsContact CE-CD1 3.41Å | ||
| 33 | S | 92 | Very high | 92.6 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 40% | 0.399 | 21% | 0.208 | S | C | . | . | trans | -64.3 | 162.6 | 162.9 | 74.4 | 0 | 0 | 0 | 0 | 110.9 | S35 V36 A37 | S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 2.89Å; S33-V36 PolarHBondContact O-N 3.35Å; S33-V36 WeakPolarHBondContact OG-CG2 3.48Å; S33-V36 PolarHBondContact OG-N 3.33Å; S33-A37 WeakPolarHBondContact O-CB 3.23Å; S33-A37 PolarHBondContact O-N 2.93Å | ||
| 34 | F | 89.3 | Confident | 92.7 | Very high | 31 Ų | 31 | 35.2 Ų | 35.2 | 14% | 0.136 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.3 | -39.8 | 177.3 | -69.9 | -93 | 0 | 0 | 0 | 111.9 | A37 A38 W218 G341 R344 | F34-A37 PolarHBondContact O-N 2.95Å; F34-A38 PolarHBondContact O-N 3.01Å; F34-W218 HydrophobicContact CB-CH2 3.8Å; F34-W218 HydrophobicContact CB-CZ2 4.4Å; F34-W218 AromaticContact CD1-CH2 3.63Å; F34-W218 HydrophobicContact CD1-CH2 3.63Å; F34-W218 AromaticContact CD1-CZ3 3.63Å; F34-W218 HydrophobicContact CD1-CZ3 3.63Å; F34-W218 HydrophobicContact CE1-CZ3 4.35Å; F34-W218 HydrophobicContact CG-CH2 4.21Å; F34-W218 WeakPolarHBondContact O-CH2 3.38Å; F34-W218 WeakPolarHBondContact O-CZ2 3.49Å; F34-G341 WeakPolarHBondContact CB-O 3.35Å; F34-R344 HydrophobicContact CD1-CG 3.7Å; F34-R344 HydrophobicContact CE1-CG 3.67Å; F34-R344 HydrophobicContact CG-CG 4.2Å; F34-R344 HydrophobicContact CZ-CG 4.17Å |
| 35 | S | 88.2 | Confident | 92.7 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 16% | 0.161 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | 178.5 | -49.6 | 0 | 0 | 0 | 0 | 112.5 | S33 V342 | S33-S35 VanDerWaalsContact C-N 3.26Å; S33-S35 PolarHBondContact O-N 2.89Å; S35-V342 WeakPolarHBondContact OG-CG2 3.39Å |
| 36 | V | 92.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 32 Ų | 32 | 29% | 0.285 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -70.4 | -39.9 | 176.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | M32 S33 A38 L39 L92 | M32-V36 HydrophobicContact CB-CB 4.32Å; M32-V36 HydrophobicContact CB-CG1 4.32Å; M32-V36 HydrophobicContact CG-CB 4.28Å; M32-V36 HydrophobicContact CG-CG1 3.74Å; M32-V36 HydrophobicContact SD-CG1 3.79Å; S33-V36 PolarHBondContact O-N 3.35Å; S33-V36 WeakPolarHBondContact OG-CG2 3.48Å; S33-V36 PolarHBondContact OG-N 3.33Å; V36-A38 VanDerWaalsContact C-N 3.31Å; V36-A38 PolarHBondContact O-N 3.14Å; V36-L39 VanDerWaalsContact O-CB 3.26Å; V36-L39 WeakPolarHBondContact O-CB 3.27Å; V36-L39 PolarHBondContact O-N 2.69Å; V36-L92 HydrophobicContact CG1-CD1 4.02Å |
| 37 | A | 92.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -35.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 R27 M32 S33 F34 L39 L40 | L23-A37 HydrophobicContact CD1-CB 3.81Å; R27-A37 HydrophobicContact CG-CB 3.56Å; M32-A37 HydrophobicContact CB-CB 4.29Å; S33-A37 WeakPolarHBondContact O-CB 3.23Å; S33-A37 PolarHBondContact O-N 2.93Å; F34-A37 PolarHBondContact O-N 2.95Å; A37-L39 PolarHBondContact O-N 3.49Å; A37-L40 VanDerWaalsContact O-CB 3.28Å; A37-L40 WeakPolarHBondContact O-CB 3.41Å; A37-L40 VanDerWaalsContact O-CG 3.31Å; A37-L40 WeakPolarHBondContact O-CG 3.47Å; A37-L40 PolarHBondContact O-N 3.27Å; A37-L40 VanDerWaalsContact O-N 3.12Å |
| 38 | A | 91.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.9 | -26.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | F34 V36 L40 T41 A42 W218 P337 W338 | F34-A38 PolarHBondContact O-N 3.01Å; V36-A38 VanDerWaalsContact C-N 3.31Å; V36-A38 PolarHBondContact O-N 3.14Å; A38-L40 PolarHBondContact O-N 3.18Å; A38-L40 VanDerWaalsContact O-N 3.16Å; A38-T41 PolarHBondContact O-N 3.12Å; A38-T41 VanDerWaalsContact O-N 3.1Å; A38-T41 PolarHBondContact O-OG1 3.25Å; A38-T41 VanDerWaalsContact O-OG1 3.05Å; A38-A42 WeakPolarHBondContact O-CB 3.27Å; A38-A42 PolarHBondContact O-N 3.41Å; A38-W218 HydrophobicContact CB-CZ2 3.75Å; A38-P337 VanDerWaalsContact CB-C 3.5Å; A38-P337 HydrophobicContact CB-CB 4.2Å; A38-P337 WeakPolarHBondContact CB-O 3.47Å; A38-W338 HydrophobicContact CB-CB 4.41Å |
| 39 | L | 93.7 | Very high | 92.5 | Very high | 49 Ų | 49 | 23.1 Ų | 23.1 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.7 | -21.8 | 176.8 | -63.6 | 175.7 | 0 | 0 | 0 | 112.6 | V36 A37 T41 A42 L43 L92 W338 | V36-L39 VanDerWaalsContact O-CB 3.26Å; V36-L39 WeakPolarHBondContact O-CB 3.27Å; V36-L39 PolarHBondContact O-N 2.69Å; A37-L39 PolarHBondContact O-N 3.49Å; L39-T41 PolarHBondContact O-N 2.96Å; L39-A42 HydrophobicContact CD2-CB 4.27Å; L39-A42 PolarHBondContact O-N 3.38Å; L39-L43 HydrophobicContact CB-CD1 4.1Å; L39-L43 HydrophobicContact CB-CG 4.22Å; L39-L43 VanDerWaalsContact O-CB 3.25Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.25Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.93Å; L39-L92 HydrophobicContact CB-CD2 3.43Å; L39-L92 VanDerWaalsContact CB-CD2 3.43Å; L39-L92 HydrophobicContact CD1-CD2 4.35Å; L39-W338 HydrophobicContact CD2-CG 4.39Å |
| 40 | L | 93.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.5 | -25.8 | 175.2 | -61.7 | 177.3 | 0 | 0 | 0 | 113.6 | V19 L23 M32 A37 A38 P44 L91 L92 A95 | V19-L40 HydrophobicContact CG1-CB 4.16Å; V19-L40 HydrophobicContact CG1-CD1 3.68Å; L23-L40 HydrophobicContact CD1-CD1 4.48Å; M32-L40 HydrophobicContact CE-CD1 4.11Å; A37-L40 VanDerWaalsContact O-CB 3.28Å; A37-L40 WeakPolarHBondContact O-CB 3.41Å; A37-L40 VanDerWaalsContact O-CG 3.31Å; A37-L40 WeakPolarHBondContact O-CG 3.47Å; A37-L40 PolarHBondContact O-N 3.27Å; A37-L40 VanDerWaalsContact O-N 3.12Å; A38-L40 PolarHBondContact O-N 3.18Å; A38-L40 VanDerWaalsContact O-N 3.16Å; L40-P44 WeakPolarHBondContact O-CD 3.19Å; L40-P44 WeakPolarHBondContact O-CG 3.43Å; L40-L91 VanDerWaalsContact CD2-C 3.48Å; L40-L91 HydrophobicContact CD2-CB 3.55Å; L40-L91 WeakPolarHBondContact CD2-O 3.49Å; L40-L92 HydrophobicContact CD2-CD2 3.98Å; L40-A95 HydrophobicContact CD2-CB 4.25Å |
| 41 | T | 91.1 | Very high | 92.2 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -105.8 | -36.5 | 175.1 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | A38 L39 P44 V45 I216 A217 | A38-T41 PolarHBondContact O-N 3.12Å; A38-T41 VanDerWaalsContact O-N 3.1Å; A38-T41 PolarHBondContact O-OG1 3.25Å; A38-T41 VanDerWaalsContact O-OG1 3.05Å; L39-T41 PolarHBondContact O-N 2.96Å; T41-P44 WeakPolarHBondContact O-CD 3.42Å; T41-V45 WeakPolarHBondContact O-CG2 3.4Å; T41-V45 PolarHBondContact O-N 3.29Å; T41-I216 HydrophobicContact CG2-CG2 4.18Å; T41-A217 HydrophobicContact CG2-CB 4.11Å; T41-A217 WeakPolarHBondContact OG1-CB 3.29Å |
| 42 | A | 93 | Very high | 91.9 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | A38 L39 V45 V46 G334 | A38-A42 WeakPolarHBondContact O-CB 3.27Å; A38-A42 PolarHBondContact O-N 3.41Å; L39-A42 HydrophobicContact CD2-CB 4.27Å; L39-A42 PolarHBondContact O-N 3.38Å; A42-V45 PolarHBondContact O-N 3.37Å; A42-V45 VanDerWaalsContact O-N 3.12Å; A42-V46 WeakPolarHBondContact O-CG2 3.37Å; A42-V46 PolarHBondContact O-N 3.21Å; A42-G334 VanDerWaalsContact CA-O 3.3Å; A42-G334 WeakPolarHBondContact CA-O 3.33Å; A42-G334 WeakPolarHBondContact CB-O 3.48Å |
| 43 | L | 94.4 | Very high | 91.6 | Very high | 46 Ų | 46 | 24.6 Ų | 24.6 | 24% | 0.241 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.2 | -50.9 | -176 | -72.4 | 167.7 | 0 | 0 | 0 | 111.6 | L39 V45 V46 T47 L92 L96 | L39-L43 HydrophobicContact CB-CD1 4.1Å; L39-L43 HydrophobicContact CB-CG 4.22Å; L39-L43 VanDerWaalsContact O-CB 3.25Å; L39-L43 WeakPolarHBondContact O-CB 3.33Å; L39-L43 WeakPolarHBondContact O-CD1 3.45Å; L39-L43 VanDerWaalsContact O-CG 3.25Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 2.93Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 3.18Å; L43-V46 PolarHBondContact O-N 3.05Å; L43-T47 WeakPolarHBondContact O-CG2 3.42Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 3.4Å; L43-T47 VanDerWaalsContact O-OG1 3.13Å; L43-L92 HydrophobicContact CD1-CB 4.28Å; L43-L92 HydrophobicContact CD1-CD2 3.95Å; L43-L96 HydrophobicContact CD2-CD1 4.38Å |
| 44 | P | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -50.5 | -49.4 | 172 | -28.4 | 31.2 | 0 | 0 | 0 | 113.9 | L16 L40 T41 V46 T47 M48 A95 | L16-P44 HydrophobicContact CD1-CB 3.82Å; L16-P44 HydrophobicContact CD1-CG 4.16Å; L16-P44 HydrophobicContact CD2-CB 3.88Å; L16-P44 HydrophobicContact CD2-CG 4.47Å; L16-P44 HydrophobicContact CG-CB 3.86Å; L16-P44 HydrophobicContact CG-CG 4.03Å; L40-P44 WeakPolarHBondContact O-CD 3.19Å; L40-P44 WeakPolarHBondContact O-CG 3.43Å; T41-P44 WeakPolarHBondContact O-CD 3.42Å; P44-V46 PolarHBondContact O-N 3.08Å; P44-T47 WeakPolarHBondContact CA-OG1 3.26Å; P44-T47 PolarHBondContact O-N 3.25Å; P44-T47 PolarHBondContact O-OG1 2.96Å; P44-M48 WeakPolarHBondContact O-CG 3.4Å; P44-M48 PolarHBondContact O-N 2.8Å; P44-A95 HydrophobicContact CG-CB 4.24Å; P44-A95 WeakPolarHBondContact CG-O 3.18Å |
| 45 | V | 92.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 22.6 Ų | 22.6 | 6% | 0.061 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.4 | -39.7 | -176.2 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | L16 T41 A42 L43 M48 G49 F330 A333 | L16-V45 HydrophobicContact CD2-CG2 3.96Å; T41-V45 WeakPolarHBondContact O-CG2 3.4Å; T41-V45 PolarHBondContact O-N 3.29Å; A42-V45 PolarHBondContact O-N 3.37Å; A42-V45 VanDerWaalsContact O-N 3.12Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 3.18Å; V45-M48 WeakPolarHBondContact O-CB 3.43Å; V45-M48 PolarHBondContact O-N 2.87Å; V45-G49 PolarHBondContact O-N 2.88Å; V45-G49 VanDerWaalsContact O-N 3.09Å; V45-F330 HydrophobicContact CG1-CB 4.33Å; V45-F330 HydrophobicContact CG1-CD1 4.06Å; V45-F330 WeakPolarHBondContact CG1-O 3.04Å; V45-A333 HydrophobicContact CG1-CB 4.16Å |
| 46 | V | 95.3 | Very high | 89.8 | Confident | 47 Ų | 47 | 24.9 Ų | 24.9 | 29% | 0.285 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 173.9 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | A42 L43 P44 M48 G49 G50 | A42-V46 WeakPolarHBondContact O-CG2 3.37Å; A42-V46 PolarHBondContact O-N 3.21Å; L43-V46 PolarHBondContact O-N 3.05Å; P44-V46 PolarHBondContact O-N 3.08Å; V46-M48 VanDerWaalsContact C-N 3.32Å; V46-M48 PolarHBondContact O-N 3.33Å; V46-G49 PolarHBondContact O-N 3.27Å; V46-G49 VanDerWaalsContact O-N 3.12Å; V46-G50 PolarHBondContact O-N 3.42Å |
| 47 | T | 93.7 | Very high | 89.1 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 14% | 0.135 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 112.5 | L43 P44 G49 G50 L51 L96 G99 V100 | L43-T47 WeakPolarHBondContact O-CG2 3.42Å; L43-T47 PolarHBondContact O-N 3.31Å; L43-T47 PolarHBondContact O-OG1 3.4Å; L43-T47 VanDerWaalsContact O-OG1 3.13Å; P44-T47 WeakPolarHBondContact CA-OG1 3.26Å; P44-T47 PolarHBondContact O-N 3.25Å; P44-T47 PolarHBondContact O-OG1 2.96Å; T47-G49 VanDerWaalsContact C-N 3.3Å; T47-G49 PolarHBondContact O-N 3.01Å; T47-G50 PolarHBondContact O-N 3.45Å; T47-L51 WeakPolarHBondContact O-CB 3.27Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 3.27Å; T47-L96 HydrophobicContact CG2-CD1 3.52Å; T47-G99 VanDerWaalsContact OG1-CA 3.32Å; T47-G99 WeakPolarHBondContact OG1-CA 3.46Å; T47-G99 PolarHBondContact OG1-O 2.89Å; T47-V100 HydrophobicContact CG2-CG2 4.22Å |
| 48 | M | 91.4 | Very high | 88.4 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.1 | -43.4 | 172 | -67.8 | 158.7 | 64.1 | 0 | 0 | 111 | P44 V45 V46 L51 A52 I102 Q106 F330 | P44-M48 WeakPolarHBondContact O-CG 3.4Å; P44-M48 PolarHBondContact O-N 2.8Å; V45-M48 WeakPolarHBondContact O-CB 3.43Å; V45-M48 PolarHBondContact O-N 2.87Å; V46-M48 VanDerWaalsContact C-N 3.32Å; V46-M48 PolarHBondContact O-N 3.33Å; M48-L51 PolarHBondContact O-N 3.35Å; M48-A52 WeakPolarHBondContact O-CB 3.26Å; M48-A52 PolarHBondContact O-N 3.12Å; M48-I102 HydrophobicContact CE-CG2 4.25Å; M48-I102 HydrophobicContact CG-CG2 3.89Å; M48-I102 HydrophobicContact SD-CG2 3.68Å; M48-Q106 VanDerWaalsContact CE-CD 3.44Å; M48-F330 HydrophobicContact CE-CE1 4.3Å; M48-F330 HydrophobicContact CE-CZ 4.34Å |
| 49 | G | 91.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V45 V46 T47 L51 A52 L53 G327 | V45-G49 PolarHBondContact O-N 2.88Å; V45-G49 VanDerWaalsContact O-N 3.09Å; V46-G49 PolarHBondContact O-N 3.27Å; V46-G49 VanDerWaalsContact O-N 3.12Å; T47-G49 VanDerWaalsContact C-N 3.3Å; T47-G49 PolarHBondContact O-N 3.01Å; G49-L51 VanDerWaalsContact C-N 3.34Å; G49-L51 PolarHBondContact O-N 3.49Å; G49-A52 PolarHBondContact O-N 2.81Å; G49-L53 PolarHBondContact O-N 3.32Å; G49-L53 VanDerWaalsContact O-N 3.16Å; G49-G327 VanDerWaalsContact CA-O 3.29Å; G49-G327 WeakPolarHBondContact CA-O 3.16Å; G49-G327 VanDerWaalsContact O-CA 3.26Å; G49-G327 WeakPolarHBondContact O-CA 3.28Å |
| 50 | G | 92.6 | Very high | 86.6 | Confident | 34 Ų | 34 | 35.6 Ų | 35.6 | 35% | 0.351 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V46 T47 L53 A54 | V46-G50 PolarHBondContact O-N 3.42Å; T47-G50 PolarHBondContact O-N 3.45Å; G50-L53 PolarHBondContact O-N 2.97Å; G50-A54 PolarHBondContact O-N 2.8Å |
| 51 | L | 90.3 | Very high | 86 | Confident | 34 Ų | 34 | 41.2 Ų | 41.2 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.5 | -29.1 | 178.7 | -72.2 | 168.4 | 0 | 0 | 0 | 113.2 | T47 M48 G49 L53 A54 G55 V100 I104 | T47-L51 WeakPolarHBondContact O-CB 3.27Å; T47-L51 WeakPolarHBondContact O-CG 3.28Å; T47-L51 PolarHBondContact O-N 3.27Å; M48-L51 PolarHBondContact O-N 3.35Å; G49-L51 VanDerWaalsContact C-N 3.34Å; G49-L51 PolarHBondContact O-N 3.49Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-A54 CarbonylContact O-C 3.59Å; L51-A54 PolarHBondContact O-N 2.85Å; L51-G55 WeakPolarHBondContact O-CA 3.38Å; L51-G55 PolarHBondContact O-N 3.18Å; L51-V100 HydrophobicContact CD1-CB 4.43Å; L51-V100 HydrophobicContact CD1-CG1 4.19Å; L51-V100 WeakPolarHBondContact CD1-O 3.49Å; L51-I104 HydrophobicContact CD1-CG1 3.95Å; L51-I104 HydrophobicContact CD2-CG1 4.29Å |
| 52 | A | 85.2 | Confident | 85.6 | Confident | 14 Ų | 14 | 42.8 Ų | 42.8 | 12% | 0.116 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | M48 G49 G55 | M48-A52 WeakPolarHBondContact O-CB 3.26Å; M48-A52 PolarHBondContact O-N 3.12Å; G49-A52 PolarHBondContact O-N 2.81Å; A52-G55 PolarHBondContact O-N 2.98Å |
| 53 | L | 86.6 | Confident | 85.2 | Confident | 72 Ų | 72 | 45.5 Ų | 45.5 | 38% | 0.377 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 173.3 | -61.9 | 176.4 | 0 | 0 | 0 | 112 | G49 G50 L51 G55 F324 I328 I331 | G49-L53 PolarHBondContact O-N 3.32Å; G49-L53 VanDerWaalsContact O-N 3.16Å; G50-L53 PolarHBondContact O-N 2.97Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L53-G55 VanDerWaalsContact C-N 3.28Å; L53-G55 PolarHBondContact O-N 2.76Å; L53-F324 HydrophobicContact CD2-CD2 4.04Å; L53-I328 HydrophobicContact CD1-CD1 4.3Å; L53-I331 HydrophobicContact CD1-CD1 4.09Å |
| 54 | A | 85.2 | Confident | 84.9 | Confident | 36 Ų | 36 | 45 Ų | 45 | 30% | 0.298 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 2.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G50 L51 S56 W57 L58 | G50-A54 PolarHBondContact O-N 2.8Å; L51-A54 CarbonylContact O-C 3.59Å; L51-A54 PolarHBondContact O-N 2.85Å; A54-S56 VanDerWaalsContact C-N 3.28Å; A54-S56 PolarHBondContact O-N 3.49Å; A54-S56 VanDerWaalsContact O-N 3.17Å; A54-W57 WeakPolarHBondContact O-CB 3.5Å; A54-W57 PolarHBondContact O-N 3.39Å; A54-L58 PolarHBondContact O-N 3.23Å; A54-L58 VanDerWaalsContact O-N 3.1Å |
| 55 | G | 74 | Confident | 84.7 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 9% | 0.093 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.4 | -38 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L51 A52 L53 W57 L58 H59 | L51-G55 WeakPolarHBondContact O-CA 3.38Å; L51-G55 PolarHBondContact O-N 3.18Å; A52-G55 PolarHBondContact O-N 2.98Å; L53-G55 VanDerWaalsContact C-N 3.28Å; L53-G55 PolarHBondContact O-N 2.76Å; G55-W57 PolarHBondContact O-N 3.41Å; G55-L58 PolarHBondContact O-N 3.26Å; G55-H59 PolarHBondContact O-CD2 2.93Å; G55-H59 PolarHBondContact O-N 3.47Å |
| 56 | S | 71.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 56 Ų | 56 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | 59.9 | 0 | 0 | 0 | 0 | 112.8 | A54 Q60 | A54-S56 VanDerWaalsContact C-N 3.28Å; A54-S56 PolarHBondContact O-N 3.49Å; A54-S56 VanDerWaalsContact O-N 3.17Å; S56-Q60 VanDerWaalsContact O-CG 3.27Å; S56-Q60 WeakPolarHBondContact O-CG 3.27Å; S56-Q60 PolarHBondContact O-N 2.86Å |
| 57 | W | 78.7 | Confident | 84.4 | Confident | 149 Ų | 149 | 53.9 Ų | 53.9 | 56% | 0.564 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 175.9 | 177.7 | 88.2 | 0 | 0 | 0 | 111 | A54 G55 H59 Q60 H61 | A54-W57 WeakPolarHBondContact O-CB 3.5Å; A54-W57 PolarHBondContact O-N 3.39Å; G55-W57 PolarHBondContact O-N 3.41Å; W57-H59 PolarHBondContact O-N 3.24Å; W57-Q60 PolarHBondContact O-N 2.89Å; W57-Q60 VanDerWaalsContact O-N 3.16Å; W57-H61 AromaticContact CD1-CE1 3.45Å; W57-H61 VanDerWaalsContact CD1-CE1 3.45Å; W57-H61 AromaticContact CD1-ND1 3.56Å; W57-H61 AromaticContact CE2-ND1 3.84Å; W57-H61 AromaticContact CG-ND1 3.87Å; W57-H61 AromaticContact NE1-CE1 3.44Å; W57-H61 PolarHBondContact NE1-CE1 3.49Å; W57-H61 AromaticContact NE1-ND1 3.52Å; W57-H61 AromaticContact NE1-NE2 3.93Å; W57-H61 PolarHBondContact O-N 2.89Å; W57-H61 PolarHBondContact O-ND1 3.37Å |
| 58 | L | 77.5 | Confident | 84.4 | Confident | 11 Ų | 11 | 52.9 Ų | 52.9 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | -179.3 | -172.3 | 61.7 | 0 | 0 | 0 | 112.3 | A54 G55 Q60 H61 V62 I104 V108 | A54-L58 PolarHBondContact O-N 3.23Å; A54-L58 VanDerWaalsContact O-N 3.1Å; G55-L58 PolarHBondContact O-N 3.26Å; L58-Q60 VanDerWaalsContact C-N 3.28Å; L58-Q60 PolarHBondContact O-N 3.45Å; L58-H61 PolarHBondContact O-N 2.89Å; L58-V62 HydrophobicContact CD1-CB 4.32Å; L58-V62 HydrophobicContact CD1-CG2 4.12Å; L58-V62 PolarHBondContact O-N 2.86Å; L58-V62 VanDerWaalsContact O-N 3.08Å; L58-I104 HydrophobicContact CD2-CB 4.09Å; L58-I104 HydrophobicContact CD2-CG1 3.88Å; L58-I104 HydrophobicContact CD2-CG2 3.75Å; L58-V108 HydrophobicContact CD2-CG2 4.21Å |
| 59 | H | 72 | Confident | 84.6 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 29% | 0.287 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.6 | -28.4 | 176.3 | -82.3 | -67.9 | 0 | 0 | 0 | 113.6 | G55 W57 | G55-H59 PolarHBondContact O-CD2 2.93Å; G55-H59 PolarHBondContact O-N 3.47Å; W57-H59 PolarHBondContact O-N 3.24Å |
| 60 | Q | 75.4 | Confident | 84.7 | Confident | 101 Ų | 101 | 56.2 Ų | 56.2 | 47% | 0.472 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -80.6 | -30.9 | -179.5 | -73.9 | 174.5 | 5.8 | 0 | 0 | 113.1 | S56 W57 L58 T187 | S56-Q60 VanDerWaalsContact O-CG 3.27Å; S56-Q60 WeakPolarHBondContact O-CG 3.27Å; S56-Q60 PolarHBondContact O-N 2.86Å; W57-Q60 PolarHBondContact O-N 2.89Å; W57-Q60 VanDerWaalsContact O-N 3.16Å; L58-Q60 VanDerWaalsContact C-N 3.28Å; L58-Q60 PolarHBondContact O-N 3.45Å; Q60-T187 VanDerWaalsContact NE2-CG2 3.32Å |
| 61 | H | 80.8 | Confident | 84.8 | Confident | 119 Ų | 119 | 54.6 Ų | 54.6 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -106.5 | -26.3 | -169.6 | -64.4 | 82.2 | 0 | 0 | 0 | 113.9 | W57 L58 | W57-H61 AromaticContact CD1-CE1 3.45Å; W57-H61 VanDerWaalsContact CD1-CE1 3.45Å; W57-H61 AromaticContact CD1-ND1 3.56Å; W57-H61 AromaticContact CE2-ND1 3.84Å; W57-H61 AromaticContact CG-ND1 3.87Å; W57-H61 AromaticContact NE1-CE1 3.44Å; W57-H61 PolarHBondContact NE1-CE1 3.49Å; W57-H61 AromaticContact NE1-ND1 3.52Å; W57-H61 AromaticContact NE1-NE2 3.93Å; W57-H61 PolarHBondContact O-N 2.89Å; W57-H61 PolarHBondContact O-ND1 3.37Å; L58-H61 PolarHBondContact O-N 2.89Å |
| 62 | V | 81.9 | Confident | 85.1 | Confident | 38 Ų | 38 | 53 Ų | 53 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -125.5 | 125.2 | -174.2 | -167.3 | 0 | 0 | 0 | 0 | 109.9 | L58 R66 S67 | L58-V62 HydrophobicContact CD1-CB 4.32Å; L58-V62 HydrophobicContact CD1-CG2 4.12Å; L58-V62 PolarHBondContact O-N 2.86Å; L58-V62 VanDerWaalsContact O-N 3.08Å; V62-R66 HydrophobicContact CG1-CB 3.77Å; V62-S67 WeakPolarHBondContact CB-OG 3.26Å; V62-S67 WeakPolarHBondContact CG1-OG 3.32Å; V62-S67 PolarHBondContact O-OG 2.99Å |
| 63 | S | 86.1 | Confident | 85.7 | Confident | 62 Ų | 62 | 56.8 Ų | 56.8 | 43% | 0.434 | 28% | 0.282 | S | S | . | . | trans | -62.3 | 143.3 | 176 | 68.5 | 0 | 0 | 0 | 0 | 110.4 | R65 R66 S67 | S63-R65 PolarHBondContact O-N 3.41Å; S63-R65 VanDerWaalsContact O-N 3.09Å; S63-R66 WeakPolarHBondContact O-CA 3.39Å; S63-R66 PolarHBondContact O-N 2.84Å; S63-R66 WeakPolarHBondContact OG-CG 3.36Å; S63-S67 PolarHBondContact O-N 3.24Å; S63-S67 PolarHBondContact O-OG 3.48Å; S63-S67 VanDerWaalsContact O-OG 3.14Å | ||
| 64 | E | 86.4 | Confident | 86.2 | Confident | 35 Ų | 35 | 55.1 Ų | 55.1 | 16% | 0.164 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.2 | -37.1 | -177.1 | -64.4 | 177 | 179.3 | 0 | 0 | 113.2 | S67 V68 V108 V112 R115 | E64-S67 PolarHBondContact O-N 2.99Å; E64-V68 WeakPolarHBondContact O-CG2 3.23Å; E64-V68 PolarHBondContact O-N 3.14Å; E64-V108 HydrophobicContact CB-CG1 4.08Å; E64-V108 HydrophobicContact CG-CG1 4.07Å; E64-V112 HydrophobicContact CB-CG2 4.27Å; E64-V112 HydrophobicContact CG-CG2 4.36Å; E64-V112 WeakPolarHBondContact OE2-CG2 3.29Å; E64-R115 IonicContact OE1-CZ 2.71Å; E64-R115 IonicContact OE1-NH1 2.89Å; E64-R115 PolarHBondContact OE1-NH1 3.41Å; E64-R115 IonicContact OE2-CZ 3.24Å; E64-R115 IonicContact OE2-NH1 2.57Å; E64-R115 PolarHBondContact OE2-NH1 3.47Å; E64-R115 IonicContact OE2-NH2 3.41Å; E64-R115 PolarHBondContact OE2-NH2 3.4Å |
| 65 | R | 89.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.9 | -51.2 | 173.8 | 173.5 | 168.1 | -177.2 | -159.2 | -3 | 111.4 | S63 A69 W171 W172 S175 A176 | S63-R65 PolarHBondContact O-N 3.41Å; S63-R65 VanDerWaalsContact O-N 3.09Å; R65-A69 WeakPolarHBondContact O-CB 3.13Å; R65-A69 PolarHBondContact O-N 3.43Å; R65-A69 VanDerWaalsContact O-N 3.17Å; R65-W171 PolarHBondContact O-NE1 2.93Å; R65-W172 VanDerWaalsContact NH2-CE2 3.27Å; R65-W172 PolarHBondContact NH2-O 3.4Å; R65-S175 VanDerWaalsContact CD-OG 3.27Å; R65-S175 WeakPolarHBondContact CD-OG 3.32Å; R65-S175 VanDerWaalsContact CG-OG 3.29Å; R65-S175 WeakPolarHBondContact CG-OG 3.4Å; R65-S175 PolarHBondContact NE-OG 3.16Å; R65-A176 VanDerWaalsContact CZ-CA 3.49Å; R65-A176 VanDerWaalsContact NH1-CA 3.32Å |
| 66 | R | 90.6 | Very high | 87.8 | Confident | 167 Ų | 167 | 53.3 Ų | 53.3 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.9 | -42.3 | -179.8 | -71.9 | 179.7 | -178.8 | 176.5 | 0.3 | 110.9 | V62 S63 V68 A69 I70 | V62-R66 HydrophobicContact CG1-CB 3.77Å; S63-R66 WeakPolarHBondContact O-CA 3.39Å; S63-R66 PolarHBondContact O-N 2.84Å; S63-R66 WeakPolarHBondContact OG-CG 3.36Å; R66-V68 PolarHBondContact O-N 2.91Å; R66-A69 PolarHBondContact O-N 3.24Å; R66-I70 HydrophobicContact CB-CD1 4.44Å; R66-I70 WeakPolarHBondContact O-CB 3.43Å; R66-I70 VanDerWaalsContact O-CG1 3.24Å; R66-I70 WeakPolarHBondContact O-CG1 3.43Å; R66-I70 PolarHBondContact O-N 3.28Å |
| 67 | S | 92 | Very high | 89.1 | Confident | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.8 | -50.6 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | V62 S63 E64 S71 | V62-S67 WeakPolarHBondContact CB-OG 3.26Å; V62-S67 WeakPolarHBondContact CG1-OG 3.32Å; V62-S67 PolarHBondContact O-OG 2.99Å; S63-S67 PolarHBondContact O-N 3.24Å; S63-S67 PolarHBondContact O-OG 3.48Å; S63-S67 VanDerWaalsContact O-OG 3.14Å; E64-S67 PolarHBondContact O-N 2.99Å; S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-OG 2.86Å |
| 68 | V | 93 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -39.5 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | I8 E64 R66 S71 L72 I105 V108 M109 W171 | I8-V68 HydrophobicContact CD1-CG1 3.89Å; E64-V68 WeakPolarHBondContact O-CG2 3.23Å; E64-V68 PolarHBondContact O-N 3.14Å; R66-V68 PolarHBondContact O-N 2.91Å; V68-S71 WeakPolarHBondContact O-CB 3.42Å; V68-S71 PolarHBondContact O-N 3.13Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 HydrophobicContact CG1-CG 4.41Å; V68-L72 WeakPolarHBondContact O-CG 3.05Å; V68-L72 PolarHBondContact O-N 3.47Å; V68-I105 HydrophobicContact CG1-CG1 4.5Å; V68-V108 HydrophobicContact CG2-CG1 3.92Å; V68-M109 HydrophobicContact CG1-CE 4.12Å; V68-M109 HydrophobicContact CG2-CE 3.79Å; V68-W171 HydrophobicContact CB-CD2 4.14Å; V68-W171 HydrophobicContact CB-CG 4.47Å; V68-W171 HydrophobicContact CB-CH2 4.44Å; V68-W171 HydrophobicContact CB-CZ2 3.7Å; V68-W171 HydrophobicContact CG1-CD2 3.61Å; V68-W171 HydrophobicContact CG1-CE3 4.14Å; V68-W171 HydrophobicContact CG1-CG 3.79Å; V68-W171 HydrophobicContact CG1-CZ2 4.04Å; V68-W171 HydrophobicContact CG2-CH2 4.15Å; V68-W171 HydrophobicContact CG2-CZ2 3.76Å |
| 69 | A | 95 | Very high | 90.8 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 7% | 0.066 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.2 | -48.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R65 R66 S71 L72 L73 L168 W172 | R65-A69 WeakPolarHBondContact O-CB 3.13Å; R65-A69 PolarHBondContact O-N 3.43Å; R65-A69 VanDerWaalsContact O-N 3.17Å; R66-A69 PolarHBondContact O-N 3.24Å; A69-S71 PolarHBondContact O-N 2.93Å; A69-L72 PolarHBondContact O-N 2.9Å; A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 PolarHBondContact O-N 3.19Å; A69-L168 HydrophobicContact CB-CD1 3.8Å; A69-L168 WeakPolarHBondContact O-CD1 3.47Å; A69-W172 HydrophobicContact CB-CE3 3.93Å; A69-W172 HydrophobicContact CB-CZ3 4.12Å |
| 70 | I | 94.7 | Very high | 92 | Very high | 80 Ų | 80 | 46 Ų | 46 | 41% | 0.41 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57 | -42.9 | 174.9 | -69.7 | 165.5 | 0 | 0 | 0 | 109.6 | R66 L73 L74 | R66-I70 HydrophobicContact CB-CD1 4.44Å; R66-I70 WeakPolarHBondContact O-CB 3.43Å; R66-I70 VanDerWaalsContact O-CG1 3.24Å; R66-I70 WeakPolarHBondContact O-CG1 3.43Å; R66-I70 PolarHBondContact O-N 3.28Å; I70-L73 WeakPolarHBondContact O-CB 3.32Å; I70-L73 PolarHBondContact O-N 2.82Å; I70-L74 HydrophobicContact CG2-CD1 3.96Å; I70-L74 HydrophobicContact CG2-CG 4.22Å; I70-L74 VanDerWaalsContact O-CG 3.25Å; I70-L74 WeakPolarHBondContact O-CG 3.3Å; I70-L74 PolarHBondContact O-N 3.22Å |
| 71 | S | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | -178.9 | -59.8 | 0 | 0 | 0 | 0 | 114 | S67 V68 A69 L73 L74 I75 G101 I104 | S67-S71 WeakPolarHBondContact O-CB 3.4Å; S67-S71 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-OG 2.86Å; V68-S71 WeakPolarHBondContact O-CB 3.42Å; V68-S71 PolarHBondContact O-N 3.13Å; A69-S71 PolarHBondContact O-N 2.93Å; S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 PolarHBondContact O-N 3.21Å; S71-L74 PolarHBondContact O-N 3.48Å; S71-I75 VanDerWaalsContact O-CG1 3.29Å; S71-I75 WeakPolarHBondContact O-CG1 3.38Å; S71-I75 PolarHBondContact O-N 3.45Å; S71-G101 VanDerWaalsContact CB-O 3.28Å; S71-G101 WeakPolarHBondContact CB-O 3.32Å; S71-G101 PolarHBondContact OG-O 3.5Å; S71-I104 WeakPolarHBondContact OG-CB 3.39Å; S71-I104 WeakPolarHBondContact OG-CG2 3.44Å |
| 72 | L | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 175.8 | -69.7 | 168.4 | 0 | 0 | 0 | 111 | I8 V68 A69 I75 A76 I105 A167 L168 W171 | I8-L72 HydrophobicContact CD1-CD1 4.43Å; I8-L72 HydrophobicContact CG1-CD1 4.09Å; I8-L72 HydrophobicContact CG1-CD2 4.37Å; I8-L72 HydrophobicContact CG2-CD2 4.31Å; V68-L72 HydrophobicContact CG1-CD1 3.93Å; V68-L72 HydrophobicContact CG1-CG 4.41Å; V68-L72 WeakPolarHBondContact O-CG 3.05Å; V68-L72 PolarHBondContact O-N 3.47Å; A69-L72 PolarHBondContact O-N 2.9Å; L72-I75 PolarHBondContact O-N 2.88Å; L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 3.27Å; L72-I105 HydrophobicContact CD2-CD1 3.88Å; L72-I105 HydrophobicContact CG-CD1 3.99Å; L72-A167 HydrophobicContact CD1-CB 4.06Å; L72-A167 HydrophobicContact CD2-CB 3.89Å; L72-L168 HydrophobicContact CB-CB 3.96Å; L72-L168 HydrophobicContact CB-CD1 4.22Å; L72-L168 HydrophobicContact CD1-CB 4.32Å; L72-W171 HydrophobicContact CD1-CB 4.2Å |
| 73 | L | 97.1 | Very high | 94.1 | Very high | 93 Ų | 93 | 40.9 Ų | 40.9 | 49% | 0.487 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.1 | -46.2 | 172.4 | -177.5 | 65.4 | 0 | 0 | 0 | 111.5 | A69 I70 S71 I75 A76 V77 L168 | A69-L73 WeakPolarHBondContact O-CB 3.48Å; A69-L73 PolarHBondContact O-N 3.19Å; I70-L73 WeakPolarHBondContact O-CB 3.32Å; I70-L73 PolarHBondContact O-N 2.82Å; S71-L73 VanDerWaalsContact C-N 3.27Å; S71-L73 PolarHBondContact O-N 3.21Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.26Å; L73-A76 PolarHBondContact O-N 3.25Å; L73-V77 HydrophobicContact CD1-CG2 4.18Å; L73-V77 HydrophobicContact CG-CG2 4.36Å; L73-V77 WeakPolarHBondContact O-CB 3.46Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 2.82Å; L73-L168 HydrophobicContact CB-CD2 4.35Å; L73-L168 HydrophobicContact CD1-CD2 4.38Å |
| 74 | L | 97.3 | Very high | 94.4 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 19% | 0.194 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.8 | -69.5 | 173.5 | 0 | 0 | 0 | 112.1 | I70 S71 G78 L97 V100 I104 | I70-L74 HydrophobicContact CG2-CD1 3.96Å; I70-L74 HydrophobicContact CG2-CG 4.22Å; I70-L74 VanDerWaalsContact O-CG 3.25Å; I70-L74 WeakPolarHBondContact O-CG 3.3Å; I70-L74 PolarHBondContact O-N 3.22Å; S71-L74 PolarHBondContact O-N 3.48Å; L74-G78 PolarHBondContact O-N 3.46Å; L74-L97 HydrophobicContact CB-CG 4.46Å; L74-L97 HydrophobicContact CD2-CD1 3.46Å; L74-L97 VanDerWaalsContact CD2-CD1 3.46Å; L74-L97 HydrophobicContact CD2-CG 3.93Å; L74-V100 HydrophobicContact CD1-CB 4.36Å; L74-V100 HydrophobicContact CD1-CG1 3.81Å; L74-I104 HydrophobicContact CD1-CD1 4.45Å |
| 75 | I | 96.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.8 | -45.2 | 175 | -68.3 | 162.9 | 0 | 0 | 0 | 110.8 | M12 S71 L72 L73 G78 A79 I102 I105 A164 | M12-I75 HydrophobicContact CE-CD1 3.26Å; S71-I75 VanDerWaalsContact O-CG1 3.29Å; S71-I75 WeakPolarHBondContact O-CG1 3.38Å; S71-I75 PolarHBondContact O-N 3.45Å; L72-I75 PolarHBondContact O-N 2.88Å; L73-I75 VanDerWaalsContact C-N 3.31Å; L73-I75 PolarHBondContact O-N 3.26Å; I75-G78 PolarHBondContact O-N 2.99Å; I75-A79 WeakPolarHBondContact O-CB 3.33Å; I75-A79 PolarHBondContact O-N 3.34Å; I75-I102 HydrophobicContact CD1-CG1 3.89Å; I75-I102 HydrophobicContact CG1-CG1 4.05Å; I75-I105 HydrophobicContact CD1-CD1 3.89Å; I75-A164 HydrophobicContact CG2-CB 4Å |
| 76 | A | 97.1 | Very high | 94.7 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 L73 A79 L80 A164 V165 | L72-A76 WeakPolarHBondContact O-CB 3.37Å; L72-A76 PolarHBondContact O-N 3.27Å; L73-A76 PolarHBondContact O-N 3.25Å; A76-A79 PolarHBondContact O-N 3.03Å; A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.45Å; A76-L80 PolarHBondContact O-N 3.28Å; A76-A164 HydrophobicContact CB-CB 4.05Å; A76-V165 HydrophobicContact CB-CG2 3.84Å |
| 77 | V | 97.3 | Very high | 94.8 | Very high | 59 Ų | 59 | 41.9 Ų | 41.9 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 176.3 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | L73 A79 L80 M81 L97 | L73-V77 HydrophobicContact CD1-CG2 4.18Å; L73-V77 HydrophobicContact CG-CG2 4.36Å; L73-V77 WeakPolarHBondContact O-CB 3.46Å; L73-V77 VanDerWaalsContact O-CG2 3.28Å; L73-V77 WeakPolarHBondContact O-CG2 3.45Å; L73-V77 PolarHBondContact O-N 2.82Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.9Å; V77-L80 PolarHBondContact O-N 3.34Å; V77-M81 HydrophobicContact CG1-CG 4.4Å; V77-M81 HydrophobicContact CG1-SD 4.4Å; V77-M81 VanDerWaalsContact O-CG 3.26Å; V77-M81 WeakPolarHBondContact O-CG 3.47Å; V77-M81 PolarHBondContact O-N 3.44Å; V77-L97 HydrophobicContact CB-CD2 3.86Å; V77-L97 HydrophobicContact CG1-CD2 3.48Å; V77-L97 VanDerWaalsContact CG1-CD2 3.48Å |
| 78 | G | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L74 I75 S94 | L74-G78 PolarHBondContact O-N 3.46Å; I75-G78 PolarHBondContact O-N 2.99Å; G78-S94 VanDerWaalsContact O-CB 3.3Å; G78-S94 WeakPolarHBondContact O-CB 3.38Å |
| 79 | A | 95.9 | Very high | 95 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70 | -46.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | L15 I75 A76 V77 M81 R82 A158 W160 A161 | L15-A79 HydrophobicContact CD1-CB 4.15Å; I75-A79 WeakPolarHBondContact O-CB 3.33Å; I75-A79 PolarHBondContact O-N 3.34Å; A76-A79 PolarHBondContact O-N 3.03Å; V77-A79 VanDerWaalsContact C-N 3.29Å; V77-A79 PolarHBondContact O-N 2.9Å; A79-M81 VanDerWaalsContact C-N 3.29Å; A79-M81 PolarHBondContact O-N 3.44Å; A79-R82 VanDerWaalsContact O-CB 3.31Å; A79-R82 WeakPolarHBondContact O-CB 3.41Å; A79-R82 PolarHBondContact O-N 3.28Å; A79-A158 WeakPolarHBondContact O-CA 3.48Å; A79-W160 HydrophobicContact CB-CB 4.49Å; A79-A161 HydrophobicContact CB-CB 3.85Å |
| 80 | L | 96.5 | Very high | 95 | Very high | 82 Ų | 82 | 47.5 Ų | 47.5 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.7 | -33.6 | 179 | -72.2 | 172.6 | 0 | 0 | 0 | 113.1 | A76 V77 R82 E83 A161 | A76-L80 WeakPolarHBondContact O-CB 3.44Å; A76-L80 WeakPolarHBondContact O-CG 3.45Å; A76-L80 PolarHBondContact O-N 3.28Å; V77-L80 PolarHBondContact O-N 3.34Å; L80-R82 PolarHBondContact O-N 3.1Å; L80-E83 WeakPolarHBondContact O-CB 3.42Å; L80-E83 PolarHBondContact O-N 3.35Å; L80-A161 HydrophobicContact CD1-CB 4.43Å; L80-A161 HydrophobicContact CD2-CB 3.72Å; L80-A161 HydrophobicContact CG-CB 3.61Å |
| 81 | M | 95.6 | Very high | 95.1 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 24% | 0.236 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -56.3 | -25.7 | 173.5 | -76 | 175.5 | 74.2 | 0 | 0 | 112.5 | V77 A79 E83 L90 L97 | V77-M81 HydrophobicContact CG1-CG 4.4Å; V77-M81 HydrophobicContact CG1-SD 4.4Å; V77-M81 VanDerWaalsContact O-CG 3.26Å; V77-M81 WeakPolarHBondContact O-CG 3.47Å; V77-M81 PolarHBondContact O-N 3.44Å; A79-M81 VanDerWaalsContact C-N 3.29Å; A79-M81 PolarHBondContact O-N 3.44Å; M81-E83 VanDerWaalsContact C-N 3.25Å; M81-E83 PolarHBondContact O-N 3.03Å; M81-L90 HydrophobicContact CB-CD1 4.17Å; M81-L90 HydrophobicContact CE-CD1 3.8Å; M81-L90 WeakPolarHBondContact O-CD2 3.38Å; M81-L97 HydrophobicContact SD-CD2 3.87Å |
| 82 | R | 93.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -82.3 | 1.2 | 178.5 | -55.7 | 179.3 | 174.7 | -178.4 | -1.2 | 113.6 | L15 A79 L80 L84 L91 S94 L157 | L15-R82 PolarHBondContact O-NH1 3.43Å; L15-R82 PolarHBondContact O-NH2 3.3Å; L15-R82 VanDerWaalsContact O-NH2 3.12Å; A79-R82 VanDerWaalsContact O-CB 3.31Å; A79-R82 WeakPolarHBondContact O-CB 3.41Å; A79-R82 PolarHBondContact O-N 3.28Å; L80-R82 PolarHBondContact O-N 3.1Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L91 HydrophobicContact CG-CD2 4.21Å; R82-S94 PolarHBondContact NE-OG 3.47Å; R82-L157 HydrophobicContact CB-CB 3.73Å; R82-L157 HydrophobicContact CB-CD1 4.32Å; R82-L157 HydrophobicContact CG-CB 4.47Å |
| 83 | E | 93.1 | Very high | 95.1 | Very high | 97 Ų | 97 | 48.3 Ų | 48.3 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -74.2 | -22.6 | 170 | -164.7 | 178.8 | 168.6 | 0 | 0 | 112.1 | L80 M81 Y154 Q155 A158 | L80-E83 WeakPolarHBondContact O-CB 3.42Å; L80-E83 PolarHBondContact O-N 3.35Å; M81-E83 VanDerWaalsContact C-N 3.25Å; M81-E83 PolarHBondContact O-N 3.03Å; E83-Y154 WeakPolarHBondContact O-CE2 3.49Å; E83-Q155 HydrophobicContact CG-CG 4.04Å; E83-A158 HydrophobicContact CB-CB 3.74Å; E83-A158 HydrophobicContact CG-CB 4.29Å |
| 84 | L | 92.4 | Very high | 95 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 58% | 0.576 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -81.6 | 161.1 | 176.1 | -58.5 | 172.5 | 0 | 0 | 0 | 110.9 | R82 L90 | R82-L84 VanDerWaalsContact C-N 3.29Å; L84-L90 HydrophobicContact CB-CD2 3.63Å; L84-L90 HydrophobicContact CD1-CD1 4.22Å; L84-L90 HydrophobicContact CD1-CD2 4.36Å |
| 85 | Y | 90.4 | Very high | 95 | Very high | 129 Ų | 129 | 42.1 Ų | 42.1 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | trans | -52.4 | 133.3 | -179 | -175.7 | -93.7 | 0 | 0 | 0 | 111.7 | A29 Q87 Y154 | A29-Y85 PolarHBondContact O-OH 3.14Å; Y85-Q87 HydrophobicContact CD1-CG 4.35Å; Y85-Q87 PolarHBondContact O-N 3Å; Y85-Y154 HydrophobicContact CD2-CE1 4.08Å | ||
| 86 | P | 91 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | trans | -59.9 | 92.5 | -174.7 | -27.9 | 36.9 | 0 | 0 | 0 | 114.5 | L26 A29 S30 L91 W153 Y154 | L26-P86 HydrophobicContact CD2-CB 4Å; L26-P86 HydrophobicContact CD2-CG 4.1Å; A29-P86 HydrophobicContact CB-CB 4.09Å; A29-P86 HydrophobicContact CB-CG 4.34Å; S30-P86 VanDerWaalsContact CA-O 3.31Å; S30-P86 WeakPolarHBondContact CA-O 3.28Å; S30-P86 VanDerWaalsContact CB-O 3.28Å; S30-P86 WeakPolarHBondContact CB-O 3.24Å; P86-L91 HydrophobicContact CB-CD1 4.09Å; P86-W153 HydrophobicContact CG-CH2 3.89Å; P86-W153 HydrophobicContact CG-CZ2 4.1Å; P86-Y154 HydrophobicContact CG-CD1 3.91Å; P86-Y154 HydrophobicContact CG-CD2 4.45Å; P86-Y154 HydrophobicContact CG-CG 3.75Å | ||
| 87 | Q | 93.7 | Very high | 94.9 | Very high | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | trans | -103.2 | 142 | 170.2 | -64.7 | 180 | 0.9 | 0 | 0 | 110.7 | Y85 A89 L90 L91 | Y85-Q87 HydrophobicContact CD1-CG 4.35Å; Y85-Q87 PolarHBondContact O-N 3Å; Q87-A89 PolarHBondContact O-N 3.33Å; Q87-L90 HydrophobicContact CB-CB 4.07Å; Q87-L90 PolarHBondContact O-N 3.25Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 3.01Å | ||
| 88 | S | 93.6 | Very high | 94.8 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -51.2 | -51.3 | -179.3 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | S30 M32 L90 L91 L92 | S30-S88 PolarHBondContact O-OG 2.95Å; M32-S88 WeakPolarHBondContact CG-OG 3.32Å; S88-L90 PolarHBondContact O-N 3.4Å; S88-L91 PolarHBondContact O-N 3.46Å; S88-L92 WeakPolarHBondContact O-CB 3.19Å; S88-L92 WeakPolarHBondContact O-CG 3.24Å; S88-L92 PolarHBondContact O-N 3.17Å |
| 89 | A | 95.2 | Very high | 94.8 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.9 | -42.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q87 S93 | Q87-A89 PolarHBondContact O-N 3.33Å; A89-S93 VanDerWaalsContact O-CB 3.27Å; A89-S93 WeakPolarHBondContact O-CB 3.37Å; A89-S93 PolarHBondContact O-N 3.1Å; A89-S93 PolarHBondContact O-OG 3.26Å |
| 90 | L | 95.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63 | -48.2 | 177.4 | 177.4 | 72.2 | 0 | 0 | 0 | 111.3 | M81 L84 Q87 S88 S93 S94 | M81-L90 HydrophobicContact CB-CD1 4.17Å; M81-L90 HydrophobicContact CE-CD1 3.8Å; M81-L90 WeakPolarHBondContact O-CD2 3.38Å; L84-L90 HydrophobicContact CB-CD2 3.63Å; L84-L90 HydrophobicContact CD1-CD1 4.22Å; L84-L90 HydrophobicContact CD1-CD2 4.36Å; Q87-L90 HydrophobicContact CB-CB 4.07Å; Q87-L90 PolarHBondContact O-N 3.25Å; S88-L90 PolarHBondContact O-N 3.4Å; L90-S93 PolarHBondContact O-N 3.38Å; L90-S94 WeakPolarHBondContact O-CB 2.95Å; L90-S94 PolarHBondContact O-N 3.15Å |
| 91 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | -178.6 | -67.4 | 171 | 0 | 0 | 0 | 111.7 | L26 M32 L40 R82 P86 Q87 S88 S94 A95 | L26-L91 HydrophobicContact CD2-CD1 4.02Å; L26-L91 HydrophobicContact CD2-CD2 4.25Å; M32-L91 HydrophobicContact CE-CD1 3.41Å; M32-L91 VanDerWaalsContact CE-CD1 3.41Å; L40-L91 VanDerWaalsContact CD2-C 3.48Å; L40-L91 HydrophobicContact CD2-CB 3.55Å; L40-L91 WeakPolarHBondContact CD2-O 3.49Å; R82-L91 HydrophobicContact CG-CD2 4.21Å; P86-L91 HydrophobicContact CB-CD1 4.09Å; Q87-L91 WeakPolarHBondContact O-CG 3.32Å; Q87-L91 PolarHBondContact O-N 3.01Å; S88-L91 PolarHBondContact O-N 3.46Å; L91-S94 WeakPolarHBondContact O-CB 3.22Å; L91-S94 PolarHBondContact O-N 3.48Å; L91-S94 PolarHBondContact O-OG 3.13Å; L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.46Å |
| 92 | L | 95.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.188 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 175.2 | -66 | 174.8 | 0 | 0 | 0 | 112.1 | V36 L39 L40 L43 S88 S94 A95 L96 | V36-L92 HydrophobicContact CG1-CD1 4.02Å; L39-L92 HydrophobicContact CB-CD2 3.43Å; L39-L92 VanDerWaalsContact CB-CD2 3.43Å; L39-L92 HydrophobicContact CD1-CD2 4.35Å; L40-L92 HydrophobicContact CD2-CD2 3.98Å; L43-L92 HydrophobicContact CD1-CB 4.28Å; L43-L92 HydrophobicContact CD1-CD2 3.95Å; S88-L92 WeakPolarHBondContact O-CB 3.19Å; S88-L92 WeakPolarHBondContact O-CG 3.24Å; S88-L92 PolarHBondContact O-N 3.17Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 3.28Å; L92-A95 PolarHBondContact O-N 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 3.01Å |
| 93 | S | 96.6 | Very high | 94.5 | Very high | 58 Ų | 58 | 41.3 Ų | 41.3 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.3 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | A89 L90 A95 L96 L97 | A89-S93 VanDerWaalsContact O-CB 3.27Å; A89-S93 WeakPolarHBondContact O-CB 3.37Å; A89-S93 PolarHBondContact O-N 3.1Å; A89-S93 PolarHBondContact O-OG 3.26Å; L90-S93 PolarHBondContact O-N 3.38Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 2.89Å; S93-L96 PolarHBondContact O-N 3.27Å; S93-L97 VanDerWaalsContact O-CB 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.3Å; S93-L97 PolarHBondContact O-N 3.36Å |
| 94 | S | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.7 | 86.4 | 0 | 0 | 0 | 0 | 112.4 | G78 R82 L90 L91 L92 G98 | G78-S94 VanDerWaalsContact O-CB 3.3Å; G78-S94 WeakPolarHBondContact O-CB 3.38Å; R82-S94 PolarHBondContact NE-OG 3.47Å; L90-S94 WeakPolarHBondContact O-CB 2.95Å; L90-S94 PolarHBondContact O-N 3.15Å; L91-S94 WeakPolarHBondContact O-CB 3.22Å; L91-S94 PolarHBondContact O-N 3.48Å; L91-S94 PolarHBondContact O-OG 3.13Å; L92-S94 VanDerWaalsContact C-N 3.32Å; L92-S94 PolarHBondContact O-N 3.28Å; S94-G98 PolarHBondContact O-N 3.4Å |
| 95 | A | 95.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.7 | -42.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L40 P44 L91 L92 S93 G99 | L40-A95 HydrophobicContact CD2-CB 4.25Å; P44-A95 HydrophobicContact CG-CB 4.24Å; P44-A95 WeakPolarHBondContact CG-O 3.18Å; L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.46Å; L92-A95 PolarHBondContact O-N 3.3Å; S93-A95 VanDerWaalsContact C-N 3.34Å; S93-A95 PolarHBondContact O-N 2.89Å; A95-G99 WeakPolarHBondContact O-CA 3.42Å; A95-G99 PolarHBondContact O-N 3.43Å |
| 96 | L | 96.2 | Very high | 94.4 | Very high | 79 Ų | 79 | 27.9 Ų | 27.9 | 41% | 0.414 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -62.6 | -48.9 | 175.1 | -175.5 | 69.2 | 0 | 0 | 0 | 111.3 | L43 T47 L92 S93 G99 V100 | L43-L96 HydrophobicContact CD2-CD1 4.38Å; T47-L96 HydrophobicContact CG2-CD1 3.52Å; L92-L96 WeakPolarHBondContact O-CB 3.49Å; L92-L96 PolarHBondContact O-N 3.01Å; S93-L96 PolarHBondContact O-N 3.27Å; L96-G99 WeakPolarHBondContact O-CA 3.28Å; L96-G99 PolarHBondContact O-N 3.16Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3Å |
| 97 | L | 96.6 | Very high | 94.1 | Very high | 51 Ų | 51 | 28.9 Ų | 28.9 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.5 | -52 | -177.8 | -169.8 | 73.2 | 0 | 0 | 0 | 111.7 | L74 V77 M81 S93 G99 V100 G101 | L74-L97 HydrophobicContact CB-CG 4.46Å; L74-L97 HydrophobicContact CD2-CD1 3.46Å; L74-L97 VanDerWaalsContact CD2-CD1 3.46Å; L74-L97 HydrophobicContact CD2-CG 3.93Å; V77-L97 HydrophobicContact CB-CD2 3.86Å; V77-L97 HydrophobicContact CG1-CD2 3.48Å; V77-L97 VanDerWaalsContact CG1-CD2 3.48Å; M81-L97 HydrophobicContact SD-CD2 3.87Å; S93-L97 VanDerWaalsContact O-CB 3.29Å; S93-L97 WeakPolarHBondContact O-CB 3.3Å; S93-L97 PolarHBondContact O-N 3.36Å; L97-G99 VanDerWaalsContact C-N 3.3Å; L97-G99 PolarHBondContact O-N 3.4Å; L97-V100 PolarHBondContact O-N 3.11Å; L97-G101 PolarHBondContact O-N 2.78Å |
| 98 | G | 95.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.1 | -30.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L15 S94 G101 I102 | L15-G98 VanDerWaalsContact CD2-CA 3.49Å; S94-G98 PolarHBondContact O-N 3.4Å; G98-G101 PolarHBondContact O-N 3.39Å; G98-I102 WeakPolarHBondContact O-CD1 3.35Å; G98-I102 VanDerWaalsContact O-CG1 3.25Å; G98-I102 WeakPolarHBondContact O-CG1 3.29Å; G98-I102 PolarHBondContact O-N 2.9Å |
| 99 | G | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T47 A95 L96 L97 G101 I102 G103 | T47-G99 VanDerWaalsContact OG1-CA 3.32Å; T47-G99 WeakPolarHBondContact OG1-CA 3.46Å; T47-G99 PolarHBondContact OG1-O 2.89Å; A95-G99 WeakPolarHBondContact O-CA 3.42Å; A95-G99 PolarHBondContact O-N 3.43Å; L96-G99 WeakPolarHBondContact O-CA 3.28Å; L96-G99 PolarHBondContact O-N 3.16Å; L97-G99 VanDerWaalsContact C-N 3.3Å; L97-G99 PolarHBondContact O-N 3.4Å; G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 2.8Å; G99-I102 PolarHBondContact O-N 3.42Å; G99-G103 PolarHBondContact O-N 3.4Å |
| 100 | V | 95.3 | Very high | 92.9 | Very high | 48 Ų | 48 | 20.7 Ų | 20.7 | 29% | 0.291 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 174 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | T47 L51 L74 L96 L97 I102 G103 I104 | T47-V100 HydrophobicContact CG2-CG2 4.22Å; L51-V100 HydrophobicContact CD1-CB 4.43Å; L51-V100 HydrophobicContact CD1-CG1 4.19Å; L51-V100 WeakPolarHBondContact CD1-O 3.49Å; L74-V100 HydrophobicContact CD1-CB 4.36Å; L74-V100 HydrophobicContact CD1-CG1 3.81Å; L96-V100 WeakPolarHBondContact O-CG2 3.34Å; L96-V100 PolarHBondContact O-N 3Å; L97-V100 PolarHBondContact O-N 3.11Å; V100-I102 PolarHBondContact O-N 3.21Å; V100-G103 PolarHBondContact O-N 3.38Å; V100-I104 HydrophobicContact CG1-CD1 4.02Å; V100-I104 WeakPolarHBondContact O-CG1 2.92Å; V100-I104 PolarHBondContact O-N 2.97Å |
| 101 | G | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | S71 L97 G98 G99 G103 I104 I105 | S71-G101 VanDerWaalsContact CB-O 3.28Å; S71-G101 WeakPolarHBondContact CB-O 3.32Å; S71-G101 PolarHBondContact OG-O 3.5Å; L97-G101 PolarHBondContact O-N 2.78Å; G98-G101 PolarHBondContact O-N 3.39Å; G99-G101 VanDerWaalsContact C-N 3.33Å; G99-G101 PolarHBondContact O-N 2.8Å; G101-G103 PolarHBondContact O-N 3.02Å; G101-I104 PolarHBondContact O-N 3.49Å; G101-I105 PolarHBondContact O-N 3.37Å; G101-I105 VanDerWaalsContact O-N 3.08Å |
| 102 | I | 94.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 21.6 Ų | 21.6 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.3 | -66.5 | 161.5 | 0 | 0 | 0 | 111 | M12 L15 L16 M48 I75 G98 G99 V100 I104 I105 Q106 | M12-I102 HydrophobicContact CE-CB 4.23Å; M12-I102 HydrophobicContact CE-CG1 3.9Å; M12-I102 HydrophobicContact CE-CG2 4.41Å; M12-I102 WeakPolarHBondContact O-CD1 3.45Å; M12-I102 HydrophobicContact SD-CB 4.48Å; M12-I102 HydrophobicContact SD-CG2 4.05Å; L15-I102 HydrophobicContact CB-CD1 4.43Å; L15-I102 HydrophobicContact CD2-CD1 4.16Å; L16-I102 HydrophobicContact CD1-CD1 3.38Å; M48-I102 HydrophobicContact CE-CG2 4.25Å; M48-I102 HydrophobicContact CG-CG2 3.89Å; M48-I102 HydrophobicContact SD-CG2 3.68Å; I75-I102 HydrophobicContact CD1-CG1 3.89Å; I75-I102 HydrophobicContact CG1-CG1 4.05Å; G98-I102 WeakPolarHBondContact O-CD1 3.35Å; G98-I102 VanDerWaalsContact O-CG1 3.25Å; G98-I102 WeakPolarHBondContact O-CG1 3.29Å; G98-I102 PolarHBondContact O-N 2.9Å; G99-I102 PolarHBondContact O-N 3.42Å; V100-I102 PolarHBondContact O-N 3.21Å; I102-I104 PolarHBondContact O-N 2.76Å; I102-I105 PolarHBondContact O-N 3.24Å; I102-Q106 WeakPolarHBondContact O-CB 3.33Å; I102-Q106 PolarHBondContact O-N 3.32Å |
| 103 | G | 92.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G99 V100 G101 Q106 A107 | G99-G103 PolarHBondContact O-N 3.4Å; V100-G103 PolarHBondContact O-N 3.38Å; G101-G103 PolarHBondContact O-N 3.02Å; G103-Q106 PolarHBondContact O-N 3.42Å; G103-A107 PolarHBondContact O-N 3.49Å |
| 104 | I | 92.4 | Very high | 90.7 | Very high | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.082 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -48.4 | 177 | -68.3 | 167 | 0 | 0 | 0 | 110.4 | L51 L58 S71 L74 V100 G101 I102 Q106 A107 V108 | L51-I104 HydrophobicContact CD1-CG1 3.95Å; L51-I104 HydrophobicContact CD2-CG1 4.29Å; L58-I104 HydrophobicContact CD2-CB 4.09Å; L58-I104 HydrophobicContact CD2-CG1 3.88Å; L58-I104 HydrophobicContact CD2-CG2 3.75Å; S71-I104 WeakPolarHBondContact OG-CB 3.39Å; S71-I104 WeakPolarHBondContact OG-CG2 3.44Å; L74-I104 HydrophobicContact CD1-CD1 4.45Å; V100-I104 HydrophobicContact CG1-CD1 4.02Å; V100-I104 WeakPolarHBondContact O-CG1 2.92Å; V100-I104 PolarHBondContact O-N 2.97Å; G101-I104 PolarHBondContact O-N 3.49Å; I102-I104 PolarHBondContact O-N 2.76Å; I104-Q106 VanDerWaalsContact C-N 3.29Å; I104-Q106 PolarHBondContact O-N 2.81Å; I104-A107 PolarHBondContact O-N 2.9Å; I104-V108 HydrophobicContact CG2-CG2 4.24Å; I104-V108 WeakPolarHBondContact O-CB 3.43Å; I104-V108 VanDerWaalsContact O-CG2 3.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.32Å; I104-V108 PolarHBondContact O-N 2.89Å |
| 105 | I | 92.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 179.3 | -76.4 | 162.8 | 0 | 0 | 0 | 110.7 | I8 M12 V68 L72 I75 G101 I102 A107 V108 M109 W128 | I8-I105 HydrophobicContact CG2-CD1 4.15Å; I8-I105 HydrophobicContact CG2-CG2 3.78Å; M12-I105 HydrophobicContact CE-CB 3.62Å; M12-I105 HydrophobicContact CE-CD1 3.35Å; M12-I105 HydrophobicContact CE-CG1 4.05Å; M12-I105 HydrophobicContact CE-CG2 3.68Å; M12-I105 HydrophobicContact CG-CG2 4.33Å; M12-I105 HydrophobicContact SD-CB 3.66Å; M12-I105 HydrophobicContact SD-CD1 4.47Å; M12-I105 HydrophobicContact SD-CG2 3.3Å; M12-I105 WeakPolarHBondContact SD-CG2 3.46Å; V68-I105 HydrophobicContact CG1-CG1 4.5Å; L72-I105 HydrophobicContact CD2-CD1 3.88Å; L72-I105 HydrophobicContact CG-CD1 3.99Å; I75-I105 HydrophobicContact CD1-CD1 3.89Å; G101-I105 PolarHBondContact O-N 3.37Å; G101-I105 VanDerWaalsContact O-N 3.08Å; I102-I105 PolarHBondContact O-N 3.24Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.44Å; I105-V108 PolarHBondContact O-N 3.11Å; I105-M109 HydrophobicContact CG2-CB 4.35Å; I105-M109 HydrophobicContact CG2-CE 4.02Å; I105-M109 VanDerWaalsContact O-CB 3.24Å; I105-M109 WeakPolarHBondContact O-CB 3.3Å; I105-M109 PolarHBondContact O-N 3.42Å; I105-W128 HydrophobicContact CG2-CH2 3.66Å; I105-W128 HydrophobicContact CG2-CZ2 4.21Å |
| 106 | Q | 88.9 | Confident | 89.7 | Confident | 39 Ų | 39 | 30.8 Ų | 30.8 | 18% | 0.182 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.8 | -37.9 | 178.3 | -176.2 | 168.9 | 78.6 | 0 | 0 | 112.3 | M48 I102 G103 I104 P110 | M48-Q106 VanDerWaalsContact CE-CD 3.44Å; I102-Q106 WeakPolarHBondContact O-CB 3.33Å; I102-Q106 PolarHBondContact O-N 3.32Å; G103-Q106 PolarHBondContact O-N 3.42Å; I104-Q106 VanDerWaalsContact C-N 3.29Å; I104-Q106 PolarHBondContact O-N 2.81Å; Q106-P110 WeakPolarHBondContact O-CD 3.46Å |
| 107 | A | 84.5 | Confident | 89.2 | Confident | 23 Ų | 23 | 28.7 Ų | 28.7 | 19% | 0.19 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.7 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | G103 I104 I105 | G103-A107 PolarHBondContact O-N 3.49Å; I104-A107 PolarHBondContact O-N 2.9Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.44Å |
| 108 | V | 87.5 | Confident | 88.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -86.7 | -39.2 | -171.1 | 172.8 | 0 | 0 | 0 | 0 | 113.1 | L58 E64 V68 I104 I105 S111 V112 | L58-V108 HydrophobicContact CD2-CG2 4.21Å; E64-V108 HydrophobicContact CB-CG1 4.08Å; E64-V108 HydrophobicContact CG-CG1 4.07Å; V68-V108 HydrophobicContact CG2-CG1 3.92Å; I104-V108 HydrophobicContact CG2-CG2 4.24Å; I104-V108 WeakPolarHBondContact O-CB 3.43Å; I104-V108 VanDerWaalsContact O-CG2 3.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.32Å; I104-V108 PolarHBondContact O-N 2.89Å; I105-V108 PolarHBondContact O-N 3.11Å; V108-S111 WeakPolarHBondContact O-CB 3.16Å; V108-S111 PolarHBondContact O-N 2.76Å; V108-V112 HydrophobicContact CG1-CG2 3.75Å; V108-V112 WeakPolarHBondContact O-CG2 3.41Å; V108-V112 PolarHBondContact O-N 3.23Å; V108-V112 VanDerWaalsContact O-N 3.15Å |
| 109 | M | 88 | Confident | 88.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | -167.4 | -158 | 59 | 59.5 | 0 | 0 | 115.1 | L5 I8 V68 I105 S111 V112 I113 W128 | L5-M109 HydrophobicContact CD2-CG 4.23Å; L5-M109 HydrophobicContact CD2-SD 3.31Å; L5-M109 WeakPolarHBondContact CD2-SD 3.38Å; I8-M109 HydrophobicContact CD1-CE 3.94Å; I8-M109 HydrophobicContact CG2-CE 3.89Å; V68-M109 HydrophobicContact CG1-CE 4.12Å; V68-M109 HydrophobicContact CG2-CE 3.79Å; I105-M109 HydrophobicContact CG2-CB 4.35Å; I105-M109 HydrophobicContact CG2-CE 4.02Å; I105-M109 VanDerWaalsContact O-CB 3.24Å; I105-M109 WeakPolarHBondContact O-CB 3.3Å; I105-M109 PolarHBondContact O-N 3.42Å; M109-S111 VanDerWaalsContact C-N 3.26Å; M109-S111 PolarHBondContact O-N 3.27Å; M109-V112 WeakPolarHBondContact O-CB 3.39Å; M109-V112 PolarHBondContact O-N 2.86Å; M109-V112 VanDerWaalsContact O-N 3.17Å; M109-V112 HydrophobicContact SD-CB 4.08Å; M109-V112 HydrophobicContact SD-CG1 4.09Å; M109-I113 HydrophobicContact CG-CD1 4.04Å; M109-I113 HydrophobicContact CG-CG1 4.35Å; M109-I113 WeakPolarHBondContact O-CG1 3.41Å; M109-I113 PolarHBondContact O-N 3.39Å; M109-W128 HydrophobicContact CB-CH2 3.92Å; M109-W128 HydrophobicContact CB-CZ2 3.76Å; M109-W128 HydrophobicContact CB-CZ3 4.41Å; M109-W128 HydrophobicContact CG-CD2 4.08Å; M109-W128 HydrophobicContact CG-CE3 3.87Å; M109-W128 HydrophobicContact CG-CH2 3.68Å; M109-W128 HydrophobicContact CG-CZ2 3.86Å; M109-W128 HydrophobicContact CG-CZ3 3.66Å |
| 110 | P | 82 | Confident | 87.6 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 31% | 0.312 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.2 | -40 | 175.5 | -26.4 | 36.3 | 0 | 0 | 0 | 112.7 | Q106 I113 K114 M125 | Q106-P110 WeakPolarHBondContact O-CD 3.46Å; P110-I113 PolarHBondContact O-N 3.38Å; P110-K114 WeakPolarHBondContact O-CB 3.17Å; P110-K114 PolarHBondContact O-N 3.38Å; P110-M125 HydrophobicContact CB-CE 4.13Å; P110-M125 HydrophobicContact CB-SD 4.39Å; P110-M125 HydrophobicContact CG-CE 4.46Å |
| 111 | S | 82.3 | Confident | 86.8 | Confident | 50 Ų | 50 | 49.5 Ų | 49.5 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 176.6 | -59.8 | 0 | 0 | 0 | 0 | 111.7 | V108 M109 I113 K114 R115 | V108-S111 WeakPolarHBondContact O-CB 3.16Å; V108-S111 PolarHBondContact O-N 2.76Å; M109-S111 VanDerWaalsContact C-N 3.26Å; M109-S111 PolarHBondContact O-N 3.27Å; S111-I113 PolarHBondContact O-N 2.83Å; S111-K114 PolarHBondContact O-N 3.3Å; S111-R115 PolarHBondContact O-N 3.37Å |
| 112 | V | 86.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 174.9 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | E64 V108 M109 R115 R116 W171 | E64-V112 HydrophobicContact CB-CG2 4.27Å; E64-V112 HydrophobicContact CG-CG2 4.36Å; E64-V112 WeakPolarHBondContact OE2-CG2 3.29Å; V108-V112 HydrophobicContact CG1-CG2 3.75Å; V108-V112 WeakPolarHBondContact O-CG2 3.41Å; V108-V112 PolarHBondContact O-N 3.23Å; V108-V112 VanDerWaalsContact O-N 3.15Å; M109-V112 WeakPolarHBondContact O-CB 3.39Å; M109-V112 PolarHBondContact O-N 2.86Å; M109-V112 VanDerWaalsContact O-N 3.17Å; M109-V112 HydrophobicContact SD-CB 4.08Å; M109-V112 HydrophobicContact SD-CG1 4.09Å; V112-R115 PolarHBondContact O-N 3.08Å; V112-R116 WeakPolarHBondContact O-CB 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.38Å; V112-R116 PolarHBondContact O-N 3.23Å; V112-W171 HydrophobicContact CG1-CH2 4Å; V112-W171 HydrophobicContact CG1-CZ3 4.32Å; V112-W171 HydrophobicContact CG2-CH2 4.4Å |
| 113 | I | 86.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 179.4 | -70 | 166.7 | 0 | 0 | 0 | 110.3 | L5 M109 P110 S111 R115 R116 F117 V124 M125 W128 | L5-I113 HydrophobicContact CD1-CG1 4.03Å; L5-I113 HydrophobicContact CD2-CG1 4.33Å; M109-I113 HydrophobicContact CG-CD1 4.04Å; M109-I113 HydrophobicContact CG-CG1 4.35Å; M109-I113 WeakPolarHBondContact O-CG1 3.41Å; M109-I113 PolarHBondContact O-N 3.39Å; P110-I113 PolarHBondContact O-N 3.38Å; S111-I113 PolarHBondContact O-N 2.83Å; I113-R115 VanDerWaalsContact C-N 3.29Å; I113-R115 PolarHBondContact O-N 3.5Å; I113-R116 PolarHBondContact O-N 3.24Å; I113-F117 WeakPolarHBondContact O-CB 3.32Å; I113-F117 PolarHBondContact O-N 3.44Å; I113-V124 HydrophobicContact CB-CG1 4.43Å; I113-V124 HydrophobicContact CD1-CG1 4.33Å; I113-V124 HydrophobicContact CG1-CG1 4.06Å; I113-V124 HydrophobicContact CG2-CB 3.75Å; I113-V124 HydrophobicContact CG2-CG1 3.58Å; I113-M125 HydrophobicContact CB-SD 4.1Å; I113-M125 HydrophobicContact CD1-SD 3.73Å; I113-M125 HydrophobicContact CG2-CG 4Å; I113-M125 HydrophobicContact CG2-SD 3.91Å; I113-W128 HydrophobicContact CD1-CB 3.75Å; I113-W128 HydrophobicContact CD1-CD2 4.2Å; I113-W128 HydrophobicContact CD1-CG 3.79Å |
| 114 | K | 81.2 | Confident | 84.9 | Confident | 144 Ų | 144 | 61.1 Ų | 61.1 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.5 | -40.5 | 179.3 | -173 | 177.9 | 179.7 | -179.2 | 0 | 112 | P110 S111 Q118 T121 | P110-K114 WeakPolarHBondContact O-CB 3.17Å; P110-K114 PolarHBondContact O-N 3.38Å; S111-K114 PolarHBondContact O-N 3.3Å; K114-Q118 WeakPolarHBondContact O-CG 3.44Å; K114-T121 HydrophobicContact CB-CG2 4.41Å |
| 115 | R | 83.9 | Confident | 84.4 | Confident | 85 Ų | 85 | 63.2 Ų | 63.2 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -69.8 | -46 | 178.7 | -171.9 | 178.4 | 69.1 | -125 | -5.2 | 112.4 | E64 S111 V112 I113 | E64-R115 IonicContact OE1-CZ 2.71Å; E64-R115 IonicContact OE1-NH1 2.89Å; E64-R115 PolarHBondContact OE1-NH1 3.41Å; E64-R115 IonicContact OE2-CZ 3.24Å; E64-R115 IonicContact OE2-NH1 2.57Å; E64-R115 PolarHBondContact OE2-NH1 3.47Å; E64-R115 IonicContact OE2-NH2 3.41Å; E64-R115 PolarHBondContact OE2-NH2 3.4Å; S111-R115 PolarHBondContact O-N 3.37Å; V112-R115 PolarHBondContact O-N 3.08Å; I113-R115 VanDerWaalsContact C-N 3.29Å; I113-R115 PolarHBondContact O-N 3.5Å |
| 116 | R | 86.7 | Confident | 83.8 | Confident | 57 Ų | 57 | 64 Ų | 64 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81 | -26.2 | -172.1 | -69.3 | 171.2 | 178.2 | -109.1 | 8.4 | 113.9 | M1 V112 I113 E178 | M1-R116 PolarHBondContact SD-NH1 2.99Å; V112-R116 WeakPolarHBondContact O-CB 3.25Å; V112-R116 WeakPolarHBondContact O-CG 3.38Å; V112-R116 PolarHBondContact O-N 3.23Å; I113-R116 PolarHBondContact O-N 3.24Å; R116-E178 IonicContact CZ-OE1 2.73Å; R116-E178 IonicContact CZ-OE2 2.63Å; R116-E178 IonicContact NE-OE2 3.78Å; R116-E178 VanDerWaalsContact NH1-CD 3.31Å; R116-E178 IonicContact NH1-OE1 3.39Å; R116-E178 PolarHBondContact NH1-OE1 3.43Å; R116-E178 IonicContact NH1-OE2 3.33Å; R116-E178 PolarHBondContact NH1-OE2 2.79Å; R116-E178 IonicContact NH2-OE1 3.06Å; R116-E178 PolarHBondContact NH2-OE1 3.29Å; R116-E178 IonicContact NH2-OE2 2.75Å; R116-E178 PolarHBondContact NH2-OE2 3.47Å |
| 117 | F | 86.2 | Confident | 83.7 | Confident | 36 Ų | 36 | 65.9 Ų | 65.9 | 16% | 0.158 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 46 | -172.6 | -60 | -83.4 | 0 | 0 | 0 | 111.2 | M1 L2 L5 I113 Q119 R120 T121 V124 | M1-F117 HydrophobicContact CB-CZ 4.2Å; M1-F117 HydrophobicContact CG-CE2 4.34Å; M1-F117 HydrophobicContact CG-CZ 4.11Å; L2-F117 HydrophobicContact CD1-CE1 4.48Å; L2-F117 HydrophobicContact CD2-CD1 4.22Å; L2-F117 HydrophobicContact CD2-CE1 3.55Å; L2-F117 HydrophobicContact CD2-CE2 4.32Å; L2-F117 HydrophobicContact CD2-CZ 3.6Å; L2-F117 HydrophobicContact CG-CE1 3.81Å; L2-F117 HydrophobicContact CG-CZ 3.91Å; L5-F117 HydrophobicContact CD1-CD2 4.2Å; L5-F117 HydrophobicContact CD1-CE2 3.46Å; L5-F117 VanDerWaalsContact CD1-CE2 3.46Å; L5-F117 HydrophobicContact CD1-CZ 4.11Å; I113-F117 WeakPolarHBondContact O-CB 3.32Å; I113-F117 PolarHBondContact O-N 3.44Å; F117-Q119 VanDerWaalsContact C-N 3.29Å; F117-Q119 PolarHBondContact O-N 2.87Å; F117-Q119 VanDerWaalsContact O-N 3.14Å; F117-R120 HydrophobicContact CB-CB 4.46Å; F117-R120 CarbonylContact O-C 3.06Å; F117-R120 VanDerWaalsContact O-C 3.31Å; F117-R120 PolarHBondContact O-N 3.5Å; F117-T121 WeakPolarHBondContact O-CA 3.45Å; F117-T121 PolarHBondContact O-N 2.97Å; F117-T121 PolarHBondContact O-OG1 3.47Å; F117-V124 HydrophobicContact CB-CB 4.39Å; F117-V124 HydrophobicContact CB-CG2 3.83Å; F117-V124 HydrophobicContact CD1-CG2 3.87Å; F117-V124 HydrophobicContact CD2-CG1 4.01Å; F117-V124 HydrophobicContact CD2-CG2 4.21Å; F117-V124 HydrophobicContact CE1-CG2 4.49Å; F117-V124 HydrophobicContact CE2-CG1 4.36Å; F117-V124 HydrophobicContact CG-CB 4.37Å; F117-V124 HydrophobicContact CG-CG1 4.34Å; F117-V124 HydrophobicContact CG-CG2 3.7Å |
| 118 | Q | 82.2 | Confident | 83.8 | Confident | 154 Ų | 154 | 65.4 Ų | 65.4 | 72% | 0.72 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -46.4 | -49.4 | -174.5 | -63.8 | -179 | 0.6 | 0 | 0 | 113.1 | K114 T121 | K114-Q118 WeakPolarHBondContact O-CG 3.44Å; Q118-T121 PolarHBondContact O-OG1 3.08Å |
| 119 | Q | 86.1 | Confident | 83.5 | Confident | 191 Ų | 191 | 67 Ų | 67 | 89% | 0.893 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -74.1 | -23.3 | 179.2 | -66.3 | -178.9 | -11 | 0 | 0 | 114.5 | F117 | F117-Q119 VanDerWaalsContact C-N 3.29Å; F117-Q119 PolarHBondContact O-N 2.87Å; F117-Q119 VanDerWaalsContact O-N 3.14Å |
| 120 | R | 85.3 | Confident | 83.4 | Confident | 163 Ų | 163 | 68.9 Ų | 68.9 | 62% | 0.615 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -115.4 | 15.2 | -175 | -60.2 | -173 | -177 | -167.4 | 0.9 | 112.9 | F117 L123 V124 | F117-R120 HydrophobicContact CB-CB 4.46Å; F117-R120 CarbonylContact O-C 3.06Å; F117-R120 VanDerWaalsContact O-C 3.31Å; F117-R120 PolarHBondContact O-N 3.5Å; R120-L123 PolarHBondContact O-N 2.83Å; R120-L123 VanDerWaalsContact O-N 3.09Å; R120-V124 HydrophobicContact CB-CG2 4.26Å; R120-V124 WeakPolarHBondContact O-CG2 3.11Å; R120-V124 PolarHBondContact O-N 3.19Å |
| 121 | T | 77.8 | Confident | 83.8 | Confident | 28 Ų | 28 | 67 Ų | 67 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.6 | -46.6 | -171.1 | -67.8 | 0 | 0 | 0 | 0 | 112.1 | K114 F117 Q118 L123 V124 M125 | K114-T121 HydrophobicContact CB-CG2 4.41Å; F117-T121 WeakPolarHBondContact O-CA 3.45Å; F117-T121 PolarHBondContact O-N 2.97Å; F117-T121 PolarHBondContact O-OG1 3.47Å; Q118-T121 PolarHBondContact O-OG1 3.08Å; T121-L123 PolarHBondContact O-N 3.25Å; T121-V124 PolarHBondContact O-N 3.48Å; T121-M125 HydrophobicContact CG2-CG 4.09Å; T121-M125 WeakPolarHBondContact O-CB 3.43Å; T121-M125 VanDerWaalsContact O-CG 3.22Å; T121-M125 WeakPolarHBondContact O-CG 3.43Å; T121-M125 PolarHBondContact O-N 3.16Å |
| 122 | P | 74.7 | Confident | 84.2 | Confident | 106 Ų | 106 | 65.7 Ų | 65.7 | 69% | 0.688 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 178 | -24.9 | 35.6 | 0 | 0 | 0 | 113.5 | M125 G126 | P122-M125 PolarHBondContact O-N 3.48Å; P122-G126 PolarHBondContact O-N 3.42Å |
| 123 | L | 81.4 | Confident | 84.2 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 70% | 0.702 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 178.9 | -68.9 | 173.2 | 0 | 0 | 0 | 111.6 | R120 T121 G126 L127 | R120-L123 PolarHBondContact O-N 2.83Å; R120-L123 VanDerWaalsContact O-N 3.09Å; T121-L123 PolarHBondContact O-N 3.25Å; L123-G126 PolarHBondContact O-N 3.43Å; L123-L127 PolarHBondContact O-N 3.38Å |
| 124 | V | 86.9 | Confident | 84.3 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.8 | -35.1 | 179.6 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | L2 L5 I113 F117 R120 T121 L127 W128 | L2-V124 HydrophobicContact CD2-CG1 4.04Å; L2-V124 HydrophobicContact CD2-CG2 3.77Å; L5-V124 HydrophobicContact CD1-CG1 3.76Å; I113-V124 HydrophobicContact CB-CG1 4.43Å; I113-V124 HydrophobicContact CD1-CG1 4.33Å; I113-V124 HydrophobicContact CG1-CG1 4.06Å; I113-V124 HydrophobicContact CG2-CB 3.75Å; I113-V124 HydrophobicContact CG2-CG1 3.58Å; F117-V124 HydrophobicContact CB-CB 4.39Å; F117-V124 HydrophobicContact CB-CG2 3.83Å; F117-V124 HydrophobicContact CD1-CG2 3.87Å; F117-V124 HydrophobicContact CD2-CG1 4.01Å; F117-V124 HydrophobicContact CD2-CG2 4.21Å; F117-V124 HydrophobicContact CE1-CG2 4.49Å; F117-V124 HydrophobicContact CE2-CG1 4.36Å; F117-V124 HydrophobicContact CG-CB 4.37Å; F117-V124 HydrophobicContact CG-CG1 4.34Å; F117-V124 HydrophobicContact CG-CG2 3.7Å; R120-V124 HydrophobicContact CB-CG2 4.26Å; R120-V124 WeakPolarHBondContact O-CG2 3.11Å; R120-V124 PolarHBondContact O-N 3.19Å; T121-V124 PolarHBondContact O-N 3.48Å; V124-L127 PolarHBondContact O-N 3.43Å; V124-W128 VanDerWaalsContact O-CB 3.28Å; V124-W128 WeakPolarHBondContact O-CB 3.25Å; V124-W128 PolarHBondContact O-N 2.99Å |
| 125 | M | 81.7 | Confident | 84.8 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 172.9 | -74.2 | -62.4 | -68.2 | 0 | 0 | 112.3 | P110 I113 T121 P122 S129 | P110-M125 HydrophobicContact CB-CE 4.13Å; P110-M125 HydrophobicContact CB-SD 4.39Å; P110-M125 HydrophobicContact CG-CE 4.46Å; I113-M125 HydrophobicContact CB-SD 4.1Å; I113-M125 HydrophobicContact CD1-SD 3.73Å; I113-M125 HydrophobicContact CG2-CG 4Å; I113-M125 HydrophobicContact CG2-SD 3.91Å; T121-M125 HydrophobicContact CG2-CG 4.09Å; T121-M125 WeakPolarHBondContact O-CB 3.43Å; T121-M125 VanDerWaalsContact O-CG 3.22Å; T121-M125 WeakPolarHBondContact O-CG 3.43Å; T121-M125 PolarHBondContact O-N 3.16Å; P122-M125 PolarHBondContact O-N 3.48Å; M125-S129 WeakPolarHBondContact O-CB 3.38Å; M125-S129 PolarHBondContact O-N 2.89Å; M125-S129 PolarHBondContact O-OG 3.3Å |
| 126 | G | 78 | Confident | 85.2 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | P122 L123 W128 S129 A130 | P122-G126 PolarHBondContact O-N 3.42Å; L123-G126 PolarHBondContact O-N 3.43Å; G126-W128 PolarHBondContact O-N 3.31Å; G126-S129 PolarHBondContact O-N 3.17Å; G126-A130 PolarHBondContact O-N 2.82Å |
| 127 | L | 87.1 | Confident | 85.5 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 41% | 0.408 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 176.2 | 179.6 | 62.5 | 0 | 0 | 0 | 112.3 | V6 L123 V124 A130 A131 | V6-L127 HydrophobicContact CG2-CD1 3.94Å; V6-L127 HydrophobicContact CG2-CD2 3.69Å; V6-L127 HydrophobicContact CG2-CG 3.7Å; L123-L127 PolarHBondContact O-N 3.38Å; V124-L127 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 3.49Å; L127-A131 WeakPolarHBondContact O-CB 3.38Å; L127-A131 PolarHBondContact O-N 3.08Å |
| 128 | W | 86.9 | Confident | 85.9 | Confident | 13 Ų | 13 | 56.2 Ų | 56.2 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.5 | -48.7 | 173.5 | 166.2 | -106.3 | 0 | 0 | 0 | 111.2 | I8 M12 I105 M109 I113 V124 G126 A130 A131 L132 | I8-W128 HydrophobicContact CB-CZ3 4.27Å; I8-W128 HydrophobicContact CG2-CH2 4.09Å; I8-W128 HydrophobicContact CG2-CZ3 4Å; M12-W128 HydrophobicContact CG-CH2 4.03Å; M12-W128 HydrophobicContact SD-CH2 4.39Å; I105-W128 HydrophobicContact CG2-CH2 3.66Å; I105-W128 HydrophobicContact CG2-CZ2 4.21Å; M109-W128 HydrophobicContact CB-CH2 3.92Å; M109-W128 HydrophobicContact CB-CZ2 3.76Å; M109-W128 HydrophobicContact CB-CZ3 4.41Å; M109-W128 HydrophobicContact CG-CD2 4.08Å; M109-W128 HydrophobicContact CG-CE3 3.87Å; M109-W128 HydrophobicContact CG-CH2 3.68Å; M109-W128 HydrophobicContact CG-CZ2 3.86Å; M109-W128 HydrophobicContact CG-CZ3 3.66Å; I113-W128 HydrophobicContact CD1-CB 3.75Å; I113-W128 HydrophobicContact CD1-CD2 4.2Å; I113-W128 HydrophobicContact CD1-CG 3.79Å; V124-W128 VanDerWaalsContact O-CB 3.28Å; V124-W128 WeakPolarHBondContact O-CB 3.25Å; V124-W128 PolarHBondContact O-N 2.99Å; G126-W128 PolarHBondContact O-N 3.31Å; W128-A130 VanDerWaalsContact C-N 3.35Å; W128-A130 PolarHBondContact O-N 3.37Å; W128-A131 WeakPolarHBondContact O-CB 3.41Å; W128-A131 PolarHBondContact O-N 3.14Å; W128-A131 VanDerWaalsContact O-N 3.17Å; W128-L132 HydrophobicContact CD2-CG 4.37Å; W128-L132 HydrophobicContact CH2-CD2 3.98Å; W128-L132 HydrophobicContact CZ2-CD1 4.25Å; W128-L132 HydrophobicContact CZ2-CD2 3.66Å; W128-L132 HydrophobicContact CZ2-CG 4.19Å; W128-L132 WeakPolarHBondContact O-CG 3.35Å; W128-L132 PolarHBondContact O-N 3.49Å |
| 129 | S | 82.3 | Confident | 86.5 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 25% | 0.245 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 179.1 | -56.1 | 0 | 0 | 0 | 0 | 112 | M125 G126 A131 L132 M133 | M125-S129 WeakPolarHBondContact O-CB 3.38Å; M125-S129 PolarHBondContact O-N 2.89Å; M125-S129 PolarHBondContact O-OG 3.3Å; G126-S129 PolarHBondContact O-N 3.17Å; S129-A131 VanDerWaalsContact C-N 3.35Å; S129-L132 WeakPolarHBondContact O-CB 3.47Å; S129-L132 PolarHBondContact O-N 3.46Å; S129-M133 WeakPolarHBondContact O-CG 3.46Å; S129-M133 PolarHBondContact O-N 3.32Å; S129-M133 VanDerWaalsContact O-N 3.09Å |
| 130 | A | 84.5 | Confident | 86.8 | Confident | 39 Ų | 39 | 39.8 Ų | 39.8 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G126 L127 W128 M133 G134 | G126-A130 PolarHBondContact O-N 2.82Å; L127-A130 PolarHBondContact O-N 3.49Å; W128-A130 VanDerWaalsContact C-N 3.35Å; W128-A130 PolarHBondContact O-N 3.37Å; A130-M133 PolarHBondContact O-N 2.91Å; A130-G134 PolarHBondContact O-N 3.31Å |
| 131 | A | 91.6 | Very high | 87.3 | Confident | 7 Ų | 7 | 33 Ų | 33 | 6% | 0.058 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V6 G9 L10 L127 W128 S129 M133 G134 G135 | V6-A131 HydrophobicContact CB-CB 4.46Å; V6-A131 HydrophobicContact CG1-CB 4.12Å; G9-A131 CarbonylContact C-O 3.43Å; L10-A131 HydrophobicContact CG-CB 4.49Å; L127-A131 WeakPolarHBondContact O-CB 3.38Å; L127-A131 PolarHBondContact O-N 3.08Å; W128-A131 WeakPolarHBondContact O-CB 3.41Å; W128-A131 PolarHBondContact O-N 3.14Å; W128-A131 VanDerWaalsContact O-N 3.17Å; S129-A131 VanDerWaalsContact C-N 3.35Å; A131-M133 PolarHBondContact O-N 3.45Å; A131-G134 PolarHBondContact O-N 2.93Å; A131-G135 PolarHBondContact O-N 3.28Å |
| 132 | L | 89.7 | Confident | 88.1 | Confident | 23 Ų | 23 | 34.6 Ų | 34.6 | 12% | 0.12 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.7 | -50.8 | 173.3 | -67.5 | 179 | 0 | 0 | 0 | 111.4 | G9 M12 R13 W128 S129 G135 G136 | G9-L132 WeakPolarHBondContact O-CA 3.47Å; M12-L132 HydrophobicContact CB-CD2 3.3Å; M12-L132 HydrophobicContact CG-CD2 3.35Å; M12-L132 HydrophobicContact SD-CD2 4.48Å; R13-L132 WeakPolarHBondContact CD-O 3.2Å; R13-L132 WeakPolarHBondContact CG-O 3.15Å; W128-L132 HydrophobicContact CD2-CG 4.37Å; W128-L132 HydrophobicContact CH2-CD2 3.98Å; W128-L132 HydrophobicContact CZ2-CD1 4.25Å; W128-L132 HydrophobicContact CZ2-CD2 3.66Å; W128-L132 HydrophobicContact CZ2-CG 4.19Å; W128-L132 WeakPolarHBondContact O-CG 3.35Å; W128-L132 PolarHBondContact O-N 3.49Å; S129-L132 WeakPolarHBondContact O-CB 3.47Å; S129-L132 PolarHBondContact O-N 3.46Å; L132-G135 PolarHBondContact O-N 2.86Å; L132-G136 PolarHBondContact O-N 3.04Å |
| 133 | M | 87.6 | Confident | 89.1 | Confident | 13 Ų | 13 | 29.6 Ų | 29.6 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.4 | -44.4 | -177.5 | -67.7 | 172.4 | 177.8 | 0 | 0 | 111.5 | S129 A130 A131 G135 G136 G137 T241 Q244 A245 A248 | S129-M133 WeakPolarHBondContact O-CG 3.46Å; S129-M133 PolarHBondContact O-N 3.32Å; S129-M133 VanDerWaalsContact O-N 3.09Å; A130-M133 PolarHBondContact O-N 2.91Å; A131-M133 PolarHBondContact O-N 3.45Å; M133-G135 VanDerWaalsContact C-N 3.32Å; M133-G135 PolarHBondContact O-N 3.12Å; M133-G136 WeakPolarHBondContact O-CA 3.34Å; M133-G136 PolarHBondContact O-N 2.88Å; M133-G137 PolarHBondContact O-N 3.25Å; M133-T241 WeakPolarHBondContact O-CB 3.28Å; M133-T241 PolarHBondContact O-OG1 3.09Å; M133-Q244 HydrophobicContact CE-CB 3.79Å; M133-Q244 HydrophobicContact CG-CB 4.43Å; M133-Q244 HydrophobicContact SD-CB 3.69Å; M133-A245 WeakPolarHBondContact SD-CA 3.35Å; M133-A245 HydrophobicContact SD-CB 3.76Å; M133-A245 PolarHBondContact SD-N 3.44Å; M133-A248 HydrophobicContact CE-CB 3.92Å |
| 134 | G | 88.8 | Confident | 89.7 | Confident | 26 Ų | 26 | 23.4 Ų | 23.4 | 27% | 0.268 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A130 A131 G136 G137 L138 | A130-G134 PolarHBondContact O-N 3.31Å; A131-G134 PolarHBondContact O-N 2.93Å; G134-G136 VanDerWaalsContact C-N 3.28Å; G134-G136 PolarHBondContact O-N 2.97Å; G134-G137 PolarHBondContact O-N 2.73Å; G134-L138 WeakPolarHBondContact O-CB 3.22Å; G134-L138 VanDerWaalsContact O-CG 3.23Å; G134-L138 WeakPolarHBondContact O-CG 3.34Å; G134-L138 PolarHBondContact O-N 2.63Å |
| 135 | G | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -43.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | L10 P14 A131 L132 M133 G139 | L10-G135 WeakPolarHBondContact O-CA 3.27Å; P14-G135 WeakPolarHBondContact CG-O 3.41Å; A131-G135 PolarHBondContact O-N 3.28Å; L132-G135 PolarHBondContact O-N 2.86Å; M133-G135 VanDerWaalsContact C-N 3.32Å; M133-G135 PolarHBondContact O-N 3.12Å; G135-G139 PolarHBondContact O-N 3.4Å |
| 136 | G | 91.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T17 L132 M133 G134 G139 A140 | T17-G136 VanDerWaalsContact CB-O 3.24Å; T17-G136 WeakPolarHBondContact CB-O 3.12Å; T17-G136 WeakPolarHBondContact OG1-CA 3.37Å; T17-G136 PolarHBondContact OG1-O 3.29Å; L132-G136 PolarHBondContact O-N 3.04Å; M133-G136 WeakPolarHBondContact O-CA 3.34Å; M133-G136 PolarHBondContact O-N 2.88Å; G134-G136 VanDerWaalsContact C-N 3.28Å; G134-G136 PolarHBondContact O-N 2.97Å; G136-G139 PolarHBondContact O-N 2.75Å; G136-A140 PolarHBondContact O-N 3.42Å |
| 137 | G | 92.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M133 G134 G139 A140 A141 A238 T241 | M133-G137 PolarHBondContact O-N 3.25Å; G134-G137 PolarHBondContact O-N 2.73Å; G137-G139 VanDerWaalsContact C-N 3.31Å; G137-G139 PolarHBondContact O-N 3.04Å; G137-A140 PolarHBondContact O-N 3.29Å; G137-A141 WeakPolarHBondContact O-CB 3.39Å; G137-A141 PolarHBondContact O-N 3.01Å; G137-A238 WeakPolarHBondContact O-CB 3.44Å; G137-T241 WeakPolarHBondContact CA-OG1 3.19Å |
| 138 | L | 94.6 | Very high | 91.7 | Very high | 78 Ų | 78 | 30.8 Ų | 30.8 | 41% | 0.408 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.4 | -67 | 173.7 | 0 | 0 | 0 | 110.7 | L10 G134 A140 A141 I142 W160 | L10-L138 HydrophobicContact CD2-CD1 4.06Å; G134-L138 WeakPolarHBondContact O-CB 3.22Å; G134-L138 VanDerWaalsContact O-CG 3.23Å; G134-L138 WeakPolarHBondContact O-CG 3.34Å; G134-L138 PolarHBondContact O-N 2.63Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.84Å; L138-A141 PolarHBondContact O-N 2.95Å; L138-I142 HydrophobicContact CB-CD1 4.08Å; L138-I142 HydrophobicContact CD2-CD1 3.85Å; L138-I142 HydrophobicContact CG-CD1 4.49Å; L138-I142 VanDerWaalsContact O-CB 3.23Å; L138-I142 WeakPolarHBondContact O-CB 3.24Å; L138-I142 WeakPolarHBondContact O-CG1 3.13Å; L138-I142 PolarHBondContact O-N 3.23Å; L138-W160 HydrophobicContact CB-CH2 4.02Å |
| 139 | G | 94.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -48.2 | -52.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | G135 G136 G137 T143 | G135-G139 PolarHBondContact O-N 3.4Å; G136-G139 PolarHBondContact O-N 2.75Å; G137-G139 VanDerWaalsContact C-N 3.31Å; G137-G139 PolarHBondContact O-N 3.04Å; G139-T143 VanDerWaalsContact O-CB 3.28Å; G139-T143 WeakPolarHBondContact O-CB 3.35Å; G139-T143 PolarHBondContact O-OG1 2.8Å |
| 140 | A | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74 | -37.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P21 G136 G137 L138 P144 G234 L237 | P21-A140 WeakPolarHBondContact CG-O 3.32Å; G136-A140 PolarHBondContact O-N 3.42Å; G137-A140 PolarHBondContact O-N 3.29Å; L138-A140 VanDerWaalsContact C-N 3.33Å; L138-A140 PolarHBondContact O-N 2.84Å; A140-P144 WeakPolarHBondContact O-CD 3.26Å; A140-G234 WeakPolarHBondContact CB-O 3.5Å; A140-G234 VanDerWaalsContact O-CA 3.29Å; A140-G234 WeakPolarHBondContact O-CA 3.5Å; A140-L237 HydrophobicContact CB-CB 3.85Å; A140-L237 HydrophobicContact CB-CD2 3.65Å; A140-L237 HydrophobicContact CB-CG 3.81Å |
| 141 | A | 94.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -84.3 | -37.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G137 L138 Q231 A238 | G137-A141 WeakPolarHBondContact O-CB 3.39Å; G137-A141 PolarHBondContact O-N 3.01Å; L138-A141 PolarHBondContact O-N 2.95Å; A141-Q231 PolarHBondContact O-NE2 3.2Å; A141-Q231 PolarHBondContact O-OE1 3.37Å; A141-A238 HydrophobicContact CB-CB 3.98Å |
| 142 | I | 95.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 32% | 0.323 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -80.8 | -32.2 | -176.1 | -64.9 | 178.6 | 0 | 0 | 0 | 111.3 | L138 W145 L146 W160 | L138-I142 HydrophobicContact CB-CD1 4.08Å; L138-I142 HydrophobicContact CD2-CD1 3.85Å; L138-I142 HydrophobicContact CG-CD1 4.49Å; L138-I142 VanDerWaalsContact O-CB 3.23Å; L138-I142 WeakPolarHBondContact O-CB 3.24Å; L138-I142 WeakPolarHBondContact O-CG1 3.13Å; L138-I142 PolarHBondContact O-N 3.23Å; I142-W145 WeakPolarHBondContact O-CB 3.24Å; I142-W145 PolarHBondContact O-N 2.85Å; I142-W145 VanDerWaalsContact O-N 3.13Å; I142-L146 HydrophobicContact CG2-CD1 3.74Å; I142-L146 HydrophobicContact CG2-CG 3.78Å; I142-L146 PolarHBondContact O-N 3.01Å; I142-W160 HydrophobicContact CB-CZ2 4.24Å |
| 143 | T | 96 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | -174.3 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | S18 L22 G139 W145 L146 V147 L157 W160 | S18-T143 WeakPolarHBondContact CB-OG1 3.5Å; L22-T143 HydrophobicContact CD1-CG2 3.59Å; L22-T143 HydrophobicContact CD2-CG2 4.49Å; L22-T143 HydrophobicContact CG-CG2 3.93Å; G139-T143 VanDerWaalsContact O-CB 3.28Å; G139-T143 WeakPolarHBondContact O-CB 3.35Å; G139-T143 PolarHBondContact O-OG1 2.8Å; T143-W145 VanDerWaalsContact C-N 3.27Å; T143-W145 PolarHBondContact O-N 2.82Å; T143-L146 PolarHBondContact O-N 3.39Å; T143-V147 WeakPolarHBondContact O-CG2 3.15Å; T143-V147 PolarHBondContact O-N 3.13Å; T143-L157 HydrophobicContact CG2-CD2 4.17Å; T143-W160 PolarHBondContact OG1-NE1 3.2Å; T143-W160 VanDerWaalsContact OG1-NE1 3.08Å |
| 144 | P | 94 | Very high | 92.9 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -33.1 | 176.3 | -21.3 | 33.4 | 0 | 0 | 0 | 113.4 | P21 A140 V147 Q148 A230 Q231 | P21-P144 HydrophobicContact CB-CG 3.54Å; P21-P144 HydrophobicContact CG-CG 4.06Å; A140-P144 WeakPolarHBondContact O-CD 3.26Å; P144-V147 WeakPolarHBondContact O-CB 3.16Å; P144-V147 PolarHBondContact O-N 3.37Å; P144-Q148 PolarHBondContact O-N 3.31Å; P144-A230 HydrophobicContact CB-CB 4.13Å; P144-A230 HydrophobicContact CG-CB 4.45Å; P144-Q231 HydrophobicContact CB-CB 4.33Å |
| 145 | W | 94.5 | Very high | 93.1 | Very high | 130 Ų | 130 | 50.5 Ų | 50.5 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.8 | -42.9 | 174.6 | 179.6 | 87.1 | 0 | 0 | 0 | 111.5 | I142 T143 V147 Q148 H149 Q231 | I142-W145 WeakPolarHBondContact O-CB 3.24Å; I142-W145 PolarHBondContact O-N 2.85Å; I142-W145 VanDerWaalsContact O-N 3.13Å; T143-W145 VanDerWaalsContact C-N 3.27Å; T143-W145 PolarHBondContact O-N 2.82Å; W145-V147 VanDerWaalsContact C-N 3.29Å; W145-V147 PolarHBondContact O-N 3.37Å; W145-Q148 PolarHBondContact O-N 3.15Å; W145-H149 AromaticContact CD1-CE1 3.94Å; W145-H149 AromaticContact CD2-ND1 3.94Å; W145-H149 AromaticContact CE2-CE1 3.41Å; W145-H149 VanDerWaalsContact CE2-CE1 3.41Å; W145-H149 AromaticContact CE2-ND1 3.73Å; W145-H149 AromaticContact CZ2-CE1 3.66Å; W145-H149 AromaticContact CZ2-ND1 3.97Å; W145-H149 AromaticContact CZ2-NE2 3.95Å; W145-H149 AromaticContact NE1-CE1 3.36Å; W145-H149 PolarHBondContact NE1-CE1 2.92Å; W145-H149 PolarHBondContact O-ND1 3.17Å; W145-Q231 VanDerWaalsContact N-OE1 3.11Å |
| 146 | L | 94.3 | Very high | 93.2 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 12% | 0.115 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 174.6 | -73.9 | 172.4 | 0 | 0 | 0 | 111.7 | I142 T143 Q148 H149 S150 T156 W159 | I142-L146 HydrophobicContact CG2-CD1 3.74Å; I142-L146 HydrophobicContact CG2-CG 3.78Å; I142-L146 PolarHBondContact O-N 3.01Å; T143-L146 PolarHBondContact O-N 3.39Å; L146-Q148 PolarHBondContact O-N 3.4Å; L146-H149 CarbonylContact O-C 3.54Å; L146-H149 PolarHBondContact O-N 3.48Å; L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 3.35Å; L146-S150 VanDerWaalsContact O-N 3.11Å; L146-S150 PolarHBondContact O-OG 2.53Å; L146-T156 HydrophobicContact CB-CG2 3.93Å; L146-W159 HydrophobicContact CD1-CB 4.18Å; L146-W159 HydrophobicContact CD1-CG 4.41Å |
| 147 | V | 94.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 16% | 0.164 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.6 | -38.3 | 176.7 | 166.4 | 0 | 0 | 0 | 0 | 111.9 | L22 T143 P144 W145 H149 S150 W153 T156 | L22-V147 HydrophobicContact CD1-CG2 3.88Å; L22-V147 HydrophobicContact CD2-CG2 3.75Å; L22-V147 HydrophobicContact CG-CG2 4.48Å; T143-V147 WeakPolarHBondContact O-CG2 3.15Å; T143-V147 PolarHBondContact O-N 3.13Å; P144-V147 WeakPolarHBondContact O-CB 3.16Å; P144-V147 PolarHBondContact O-N 3.37Å; W145-V147 VanDerWaalsContact C-N 3.29Å; W145-V147 PolarHBondContact O-N 3.37Å; V147-H149 PolarHBondContact O-N 3.39Å; V147-S150 PolarHBondContact O-N 3.3Å; V147-W153 HydrophobicContact CG1-CB 3.69Å; V147-W153 HydrophobicContact CG2-CB 4.28Å; V147-T156 HydrophobicContact CB-CG2 4.31Å; V147-T156 HydrophobicContact CG2-CG2 3.74Å; V147-T156 VanDerWaalsContact CG2-OG1 3.31Å; V147-T156 WeakPolarHBondContact CG2-OG1 3.35Å |
| 148 | Q | 91.7 | Very high | 93.4 | Very high | 139 Ų | 139 | 50.8 Ų | 50.8 | 65% | 0.65 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -68.2 | -19.1 | 177.9 | -66.3 | 176.1 | -5.3 | 0 | 0 | 113.6 | P144 W145 L146 | P144-Q148 PolarHBondContact O-N 3.31Å; W145-Q148 PolarHBondContact O-N 3.15Å; L146-Q148 PolarHBondContact O-N 3.4Å |
| 149 | H | 91.5 | Very high | 93.4 | Very high | 123 Ų | 123 | 53.3 Ų | 53.3 | 57% | 0.569 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | 4.8 | -176.6 | -62.5 | 82 | 0 | 0 | 0 | 113.2 | W145 L146 V147 | W145-H149 AromaticContact CD1-CE1 3.94Å; W145-H149 AromaticContact CD2-ND1 3.94Å; W145-H149 AromaticContact CE2-CE1 3.41Å; W145-H149 VanDerWaalsContact CE2-CE1 3.41Å; W145-H149 AromaticContact CE2-ND1 3.73Å; W145-H149 AromaticContact CZ2-CE1 3.66Å; W145-H149 AromaticContact CZ2-ND1 3.97Å; W145-H149 AromaticContact CZ2-NE2 3.95Å; W145-H149 AromaticContact NE1-CE1 3.36Å; W145-H149 PolarHBondContact NE1-CE1 2.92Å; W145-H149 PolarHBondContact O-ND1 3.17Å; L146-H149 CarbonylContact O-C 3.54Å; L146-H149 PolarHBondContact O-N 3.48Å; V147-H149 PolarHBondContact O-N 3.39Å |
| 150 | S | 91 | Very high | 93.4 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 19% | 0.189 | 25% | 0.253 | C | S | . | . | trans | -113.4 | 135.5 | -179 | -57.6 | 0 | 0 | 0 | 0 | 109.9 | L146 V147 T152 T156 | L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 3.35Å; L146-S150 VanDerWaalsContact O-N 3.11Å; L146-S150 PolarHBondContact O-OG 2.53Å; V147-S150 PolarHBondContact O-N 3.3Å; S150-T152 PolarHBondContact O-N 3.32Å; S150-T156 WeakPolarHBondContact OG-CG2 3.3Å | ||
| 151 | E | 89.7 | Confident | 93.5 | Very high | 206 Ų | 206 | 54.9 Ų | 54.9 | 96% | 0.963 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -60 | -37.9 | 175.4 | -63.3 | -176.3 | 172.8 | 0 | 0 | 111.5 | ||
| 152 | T | 92 | Very high | 93.6 | Very high | 35 Ų | 35 | 58.7 Ų | 58.7 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -115.4 | 109.3 | 178.9 | -59.2 | 0 | 0 | 0 | 0 | 110 | S150 Y154 Q155 | S150-T152 PolarHBondContact O-N 3.32Å; T152-Y154 VanDerWaalsContact C-N 3.32Å; T152-Y154 HydrophobicContact CG2-CD1 3.57Å; T152-Y154 HydrophobicContact CG2-CD2 3.92Å; T152-Y154 HydrophobicContact CG2-CE1 3.17Å; T152-Y154 HydrophobicContact CG2-CE2 3.51Å; T152-Y154 HydrophobicContact CG2-CG 3.94Å; T152-Y154 PolarHBondContact O-N 3.24Å; T152-Q155 HydrophobicContact CG2-CG 3.78Å; T152-Q155 WeakPolarHBondContact O-CB 3.33Å; T152-Q155 PolarHBondContact O-N 2.86Å |
| 153 | W | 93.6 | Very high | 93.6 | Very high | 69 Ų | 69 | 57.5 Ų | 57.5 | 26% | 0.261 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -58.6 | -36.7 | -172.2 | 65.7 | -91.5 | 0 | 0 | 0 | 114.1 | L22 Q25 L26 A29 P86 V147 Q155 T156 | L22-W153 HydrophobicContact CD1-CE3 4.31Å; Q25-W153 HydrophobicContact CB-CE3 4.28Å; Q25-W153 HydrophobicContact CB-CH2 3.8Å; Q25-W153 HydrophobicContact CB-CZ2 4.19Å; Q25-W153 HydrophobicContact CB-CZ3 3.85Å; L26-W153 HydrophobicContact CD2-CH2 3.85Å; L26-W153 HydrophobicContact CD2-CZ3 3.86Å; L26-W153 HydrophobicContact CG-CH2 4.17Å; L26-W153 HydrophobicContact CG-CZ3 4.04Å; A29-W153 HydrophobicContact CB-CH2 4.4Å; A29-W153 HydrophobicContact CB-CZ2 4.02Å; P86-W153 HydrophobicContact CG-CH2 3.89Å; P86-W153 HydrophobicContact CG-CZ2 4.1Å; V147-W153 HydrophobicContact CG1-CB 3.69Å; V147-W153 HydrophobicContact CG2-CB 4.28Å; W153-Q155 PolarHBondContact O-N 3.39Å; W153-T156 WeakPolarHBondContact O-CB 3.23Å; W153-T156 VanDerWaalsContact O-CG2 3.22Å; W153-T156 WeakPolarHBondContact O-CG2 3.44Å; W153-T156 PolarHBondContact O-N 3.47Å; W153-T156 PolarHBondContact O-OG1 2.97Å |
| 154 | Y | 90.3 | Very high | 93.5 | Very high | 42 Ų | 42 | 57.5 Ų | 57.5 | 17% | 0.165 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -74.2 | -25.4 | -176.5 | 56.1 | -100.5 | 0 | 0 | 0 | 113.3 | E83 Y85 P86 T152 T156 L157 | E83-Y154 WeakPolarHBondContact O-CE2 3.49Å; Y85-Y154 HydrophobicContact CD2-CE1 4.08Å; P86-Y154 HydrophobicContact CG-CD1 3.91Å; P86-Y154 HydrophobicContact CG-CD2 4.45Å; P86-Y154 HydrophobicContact CG-CG 3.75Å; T152-Y154 VanDerWaalsContact C-N 3.32Å; T152-Y154 HydrophobicContact CG2-CD1 3.57Å; T152-Y154 HydrophobicContact CG2-CD2 3.92Å; T152-Y154 HydrophobicContact CG2-CE1 3.17Å; T152-Y154 HydrophobicContact CG2-CE2 3.51Å; T152-Y154 HydrophobicContact CG2-CG 3.94Å; T152-Y154 PolarHBondContact O-N 3.24Å; Y154-T156 PolarHBondContact O-N 3.24Å; Y154-T156 VanDerWaalsContact O-N 3.11Å; Y154-L157 WeakPolarHBondContact O-CB 3.35Å; Y154-L157 PolarHBondContact O-N 3.48Å; Y154-L157 VanDerWaalsContact O-N 3.12Å |
| 155 | Q | 93.5 | Very high | 93.7 | Very high | 69 Ų | 69 | 59.5 Ų | 59.5 | 32% | 0.322 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -61.3 | -22.6 | 176.6 | -68.9 | 176 | -12.7 | 0 | 0 | 112 | E83 T152 W153 L157 A158 | E83-Q155 HydrophobicContact CG-CG 4.04Å; T152-Q155 HydrophobicContact CG2-CG 3.78Å; T152-Q155 WeakPolarHBondContact O-CB 3.33Å; T152-Q155 PolarHBondContact O-N 2.86Å; W153-Q155 PolarHBondContact O-N 3.39Å; Q155-L157 PolarHBondContact O-N 2.94Å; Q155-L157 VanDerWaalsContact O-N 3.15Å; Q155-A158 WeakPolarHBondContact O-CB 3.25Å; Q155-A158 PolarHBondContact O-N 3.25Å |
| 156 | T | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -59.5 | -25.8 | 177 | 66.2 | 0 | 0 | 0 | 0 | 113.2 | L146 V147 S150 W153 Y154 A158 W159 | L146-T156 HydrophobicContact CB-CG2 3.93Å; V147-T156 HydrophobicContact CB-CG2 4.31Å; V147-T156 HydrophobicContact CG2-CG2 3.74Å; V147-T156 VanDerWaalsContact CG2-OG1 3.31Å; V147-T156 WeakPolarHBondContact CG2-OG1 3.35Å; S150-T156 WeakPolarHBondContact OG-CG2 3.3Å; W153-T156 WeakPolarHBondContact O-CB 3.23Å; W153-T156 VanDerWaalsContact O-CG2 3.22Å; W153-T156 WeakPolarHBondContact O-CG2 3.44Å; W153-T156 PolarHBondContact O-N 3.47Å; W153-T156 PolarHBondContact O-OG1 2.97Å; Y154-T156 PolarHBondContact O-N 3.24Å; Y154-T156 VanDerWaalsContact O-N 3.11Å; T156-A158 VanDerWaalsContact C-N 3.31Å; T156-A158 PolarHBondContact O-N 3.39Å; T156-W159 WeakPolarHBondContact O-CB 3.33Å; T156-W159 PolarHBondContact O-N 2.94Å |
| 157 | L | 93.3 | Very high | 93.9 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -69 | -30.4 | 174.3 | -65.3 | 173.2 | 0 | 0 | 0 | 112.2 | S18 L22 L26 R82 T143 Y154 Q155 W159 | S18-L157 WeakPolarHBondContact OG-CD2 3.38Å; L22-L157 HydrophobicContact CD1-CD2 3.99Å; L22-L157 HydrophobicContact CD1-CG 4.11Å; L26-L157 HydrophobicContact CD1-CD1 4.22Å; L26-L157 HydrophobicContact CD2-CD1 4.05Å; R82-L157 HydrophobicContact CB-CB 3.73Å; R82-L157 HydrophobicContact CB-CD1 4.32Å; R82-L157 HydrophobicContact CG-CB 4.47Å; T143-L157 HydrophobicContact CG2-CD2 4.17Å; Y154-L157 WeakPolarHBondContact O-CB 3.35Å; Y154-L157 PolarHBondContact O-N 3.48Å; Y154-L157 VanDerWaalsContact O-N 3.12Å; Q155-L157 PolarHBondContact O-N 2.94Å; Q155-L157 VanDerWaalsContact O-N 3.15Å; L157-W159 VanDerWaalsContact C-N 3.32Å |
| 158 | A | 95.1 | Very high | 94 | Very high | 9 Ų | 9 | 56.5 Ų | 56.5 | 7% | 0.074 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -75.2 | -20.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | A79 E83 Q155 T156 W160 A161 | A79-A158 WeakPolarHBondContact O-CA 3.48Å; E83-A158 HydrophobicContact CB-CB 3.74Å; E83-A158 HydrophobicContact CG-CB 4.29Å; Q155-A158 WeakPolarHBondContact O-CB 3.25Å; Q155-A158 PolarHBondContact O-N 3.25Å; T156-A158 VanDerWaalsContact C-N 3.31Å; T156-A158 PolarHBondContact O-N 3.39Å; A158-W160 PolarHBondContact O-N 3.18Å; A158-W160 VanDerWaalsContact O-N 3.12Å; A158-A161 WeakPolarHBondContact O-CB 3.19Å; A158-A161 PolarHBondContact O-N 2.99Å |
| 159 | W | 94.5 | Very high | 94.2 | Very high | 132 Ų | 132 | 55.1 Ų | 55.1 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -59.2 | -26.1 | 175.1 | -78.1 | 69.1 | 0 | 0 | 0 | 112.8 | L146 T156 L157 A161 L162 P163 | L146-W159 HydrophobicContact CD1-CB 4.18Å; L146-W159 HydrophobicContact CD1-CG 4.41Å; T156-W159 WeakPolarHBondContact O-CB 3.33Å; T156-W159 PolarHBondContact O-N 2.94Å; L157-W159 VanDerWaalsContact C-N 3.32Å; W159-A161 PolarHBondContact O-N 3.43Å; W159-L162 HydrophobicContact CD2-CD1 4.43Å; W159-L162 HydrophobicContact CE3-CD1 3.77Å; W159-L162 HydrophobicContact CZ3-CD1 4.19Å; W159-L162 WeakPolarHBondContact O-CB 3.27Å; W159-L162 PolarHBondContact O-N 2.89Å; W159-P163 WeakPolarHBondContact O-CD 3.25Å |
| 160 | W | 95 | Very high | 94.3 | Very high | 29 Ų | 29 | 50.2 Ų | 50.2 | 11% | 0.11 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -68.7 | -9.5 | 173.7 | -66.5 | 105.8 | 0 | 0 | 0 | 113.7 | P14 A79 L138 I142 T143 A158 P163 | P14-W160 HydrophobicContact CB-CB 4.37Å; P14-W160 HydrophobicContact CB-CD2 3.31Å; P14-W160 HydrophobicContact CB-CE3 3.21Å; P14-W160 HydrophobicContact CB-CG 3.81Å; P14-W160 HydrophobicContact CB-CH2 4.18Å; P14-W160 HydrophobicContact CB-CZ2 4.28Å; P14-W160 HydrophobicContact CB-CZ3 3.66Å; P14-W160 HydrophobicContact CG-CD2 4.11Å; P14-W160 HydrophobicContact CG-CE3 3.46Å; P14-W160 VanDerWaalsContact CG-CE3 3.46Å; P14-W160 HydrophobicContact CG-CH2 4.31Å; P14-W160 HydrophobicContact CG-CZ3 3.56Å; A79-W160 HydrophobicContact CB-CB 4.49Å; L138-W160 HydrophobicContact CB-CH2 4.02Å; I142-W160 HydrophobicContact CB-CZ2 4.24Å; T143-W160 PolarHBondContact OG1-NE1 3.2Å; T143-W160 VanDerWaalsContact OG1-NE1 3.08Å; A158-W160 PolarHBondContact O-N 3.18Å; A158-W160 VanDerWaalsContact O-N 3.12Å; W160-P163 HydrophobicContact CE3-CG 3.99Å; W160-P163 WeakPolarHBondContact O-CD 3.25Å; W160-P163 WeakPolarHBondContact O-CG 3.33Å |
| 161 | A | 95.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.7 | -34.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112 | A79 L80 A158 W159 A164 V165 | A79-A161 HydrophobicContact CB-CB 3.85Å; L80-A161 HydrophobicContact CD1-CB 4.43Å; L80-A161 HydrophobicContact CD2-CB 3.72Å; L80-A161 HydrophobicContact CG-CB 3.61Å; A158-A161 WeakPolarHBondContact O-CB 3.19Å; A158-A161 PolarHBondContact O-N 2.99Å; W159-A161 PolarHBondContact O-N 3.43Å; A161-A164 WeakPolarHBondContact O-CB 3.34Å; A161-A164 PolarHBondContact O-N 3.32Å; A161-A164 VanDerWaalsContact O-N 3.13Å; A161-V165 WeakPolarHBondContact O-CB 3.17Å; A161-V165 VanDerWaalsContact O-CG2 3.29Å; A161-V165 WeakPolarHBondContact O-CG2 3.36Å; A161-V165 PolarHBondContact O-N 3.07Å |
| 162 | L | 95.3 | Very high | 94.6 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -56.8 | -55.8 | -179.6 | -68.1 | 170.9 | 0 | 0 | 0 | 112.5 | W159 A164 V165 V166 | W159-L162 HydrophobicContact CD2-CD1 4.43Å; W159-L162 HydrophobicContact CE3-CD1 3.77Å; W159-L162 HydrophobicContact CZ3-CD1 4.19Å; W159-L162 WeakPolarHBondContact O-CB 3.27Å; W159-L162 PolarHBondContact O-N 2.89Å; L162-A164 PolarHBondContact O-N 3.02Å; L162-V165 PolarHBondContact O-N 3.4Å; L162-V166 VanDerWaalsContact O-CG2 3.32Å; L162-V166 WeakPolarHBondContact O-CG2 3.29Å; L162-V166 PolarHBondContact O-N 3.34Å |
| 163 | P | 95.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 51.6 Ų | 51.6 | 24% | 0.24 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -28.3 | 177.7 | 24.4 | -33.4 | 0 | 0 | 0 | 112.5 | N11 W159 W160 A167 | N11-P163 VanDerWaalsContact ND2-C 3.28Å; N11-P163 PolarHBondContact ND2-O 3.41Å; N11-P163 WeakPolarHBondContact OD1-CB 3.47Å; N11-P163 WeakPolarHBondContact OD1-CG 3.32Å; W159-P163 WeakPolarHBondContact O-CD 3.25Å; W160-P163 HydrophobicContact CE3-CG 3.99Å; W160-P163 WeakPolarHBondContact O-CD 3.25Å; W160-P163 WeakPolarHBondContact O-CG 3.33Å; P163-A167 WeakPolarHBondContact O-CB 3.17Å; P163-A167 PolarHBondContact O-N 2.89Å |
| 164 | A | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -72.7 | -40.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N11 I75 A76 A161 L162 A167 L168 | N11-A164 VanDerWaalsContact OD1-CA 3.29Å; N11-A164 WeakPolarHBondContact OD1-CA 3.34Å; N11-A164 PolarHBondContact OD1-N 3.48Å; I75-A164 HydrophobicContact CG2-CB 4Å; A76-A164 HydrophobicContact CB-CB 4.05Å; A161-A164 WeakPolarHBondContact O-CB 3.34Å; A161-A164 PolarHBondContact O-N 3.32Å; A161-A164 VanDerWaalsContact O-N 3.13Å; L162-A164 PolarHBondContact O-N 3.02Å; A164-A167 WeakPolarHBondContact O-CB 3.4Å; A164-A167 PolarHBondContact O-N 2.9Å; A164-L168 WeakPolarHBondContact O-CB 3.42Å; A164-L168 PolarHBondContact O-N 3.35Å |
| 165 | V | 96.7 | Very high | 94.1 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 29% | 0.291 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66 | -43.5 | 174.3 | 170.8 | 0 | 0 | 0 | 0 | 110.8 | A76 A161 L162 A167 L168 F169 | A76-V165 HydrophobicContact CB-CG2 3.84Å; A161-V165 WeakPolarHBondContact O-CB 3.17Å; A161-V165 VanDerWaalsContact O-CG2 3.29Å; A161-V165 WeakPolarHBondContact O-CG2 3.36Å; A161-V165 PolarHBondContact O-N 3.07Å; L162-V165 PolarHBondContact O-N 3.4Å; V165-A167 VanDerWaalsContact C-N 3.31Å; V165-A167 PolarHBondContact O-N 2.8Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.96Å; V165-L168 VanDerWaalsContact O-N 3.15Å; V165-F169 HydrophobicContact CG1-CD2 3.71Å; V165-F169 HydrophobicContact CG1-CE2 3.38Å; V165-F169 WeakPolarHBondContact O-CD2 3.37Å; V165-F169 PolarHBondContact O-N 2.98Å |
| 166 | V | 96.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -42.2 | 174.6 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | L7 L162 L168 F169 A170 | L7-V166 HydrophobicContact CD2-CB 4.35Å; L7-V166 HydrophobicContact CD2-CG1 3.8Å; L162-V166 VanDerWaalsContact O-CG2 3.32Å; L162-V166 WeakPolarHBondContact O-CG2 3.29Å; L162-V166 PolarHBondContact O-N 3.34Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 2.87Å; V166-F169 PolarHBondContact O-N 3.41Å; V166-A170 VanDerWaalsContact O-CB 3.29Å; V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.33Å |
| 167 | A | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L7 I8 L72 P163 A164 V165 A170 W171 | L7-A167 HydrophobicContact CD2-CB 4.03Å; L7-A167 HydrophobicContact CG-CB 3.86Å; I8-A167 HydrophobicContact CG1-CB 4.2Å; L72-A167 HydrophobicContact CD1-CB 4.06Å; L72-A167 HydrophobicContact CD2-CB 3.89Å; P163-A167 WeakPolarHBondContact O-CB 3.17Å; P163-A167 PolarHBondContact O-N 2.89Å; A164-A167 WeakPolarHBondContact O-CB 3.4Å; A164-A167 PolarHBondContact O-N 2.9Å; V165-A167 VanDerWaalsContact C-N 3.31Å; V165-A167 PolarHBondContact O-N 2.8Å; A167-A170 PolarHBondContact O-N 3.31Å; A167-W171 WeakPolarHBondContact O-CB 3.36Å; A167-W171 PolarHBondContact O-N 2.98Å |
| 168 | L | 96.4 | Very high | 91.2 | Very high | 30 Ų | 30 | 63.4 Ų | 63.4 | 16% | 0.157 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.7 | -51.2 | 179.1 | 173.7 | 60.1 | 0 | 0 | 0 | 111 | A69 L72 L73 A164 V165 V166 W171 W172 | A69-L168 HydrophobicContact CB-CD1 3.8Å; A69-L168 WeakPolarHBondContact O-CD1 3.47Å; L72-L168 HydrophobicContact CB-CB 3.96Å; L72-L168 HydrophobicContact CB-CD1 4.22Å; L72-L168 HydrophobicContact CD1-CB 4.32Å; L73-L168 HydrophobicContact CB-CD2 4.35Å; L73-L168 HydrophobicContact CD1-CD2 4.38Å; A164-L168 WeakPolarHBondContact O-CB 3.42Å; A164-L168 PolarHBondContact O-N 3.35Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.96Å; V165-L168 VanDerWaalsContact O-N 3.15Å; V166-L168 VanDerWaalsContact C-N 3.32Å; V166-L168 PolarHBondContact O-N 2.87Å; L168-W171 PolarHBondContact O-N 3.44Å; L168-W172 VanDerWaalsContact O-CB 3.26Å; L168-W172 WeakPolarHBondContact O-CB 3.42Å; L168-W172 PolarHBondContact O-N 3.34Å |
| 169 | F | 95.9 | Very high | 89.5 | Confident | 110 Ų | 110 | 69.8 Ų | 69.8 | 48% | 0.482 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 178 | -74.1 | -64.2 | 0 | 0 | 0 | 111.9 | V165 V166 W171 W172 W173 | V165-F169 HydrophobicContact CG1-CD2 3.71Å; V165-F169 HydrophobicContact CG1-CE2 3.38Å; V165-F169 WeakPolarHBondContact O-CD2 3.37Å; V165-F169 PolarHBondContact O-N 2.98Å; V166-F169 PolarHBondContact O-N 3.41Å; F169-W171 VanDerWaalsContact C-N 3.33Å; F169-W171 PolarHBondContact O-N 2.88Å; F169-W172 PolarHBondContact O-N 3.16Å; F169-W173 PolarHBondContact O-N 3.01Å |
| 170 | A | 95 | Very high | 87.9 | Confident | 20 Ų | 20 | 68 Ų | 68 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.9 | -40 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V4 V166 A167 Q174 | V4-A170 HydrophobicContact CG2-CB 3.87Å; V166-A170 VanDerWaalsContact O-CB 3.29Å; V166-A170 WeakPolarHBondContact O-CB 3.46Å; V166-A170 PolarHBondContact O-N 3.33Å; A167-A170 PolarHBondContact O-N 3.31Å; A170-Q174 WeakPolarHBondContact O-CB 3.15Å; A170-Q174 WeakPolarHBondContact O-CG 3.43Å; A170-Q174 PolarHBondContact O-N 2.76Å |
| 171 | W | 94.2 | Very high | 86 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 173.5 | 174.5 | -101 | 0 | 0 | 0 | 111.8 | M1 V4 I8 R65 V68 L72 V112 A167 L168 F169 W173 Q174 S175 | M1-W171 HydrophobicContact CE-CE3 3.78Å; M1-W171 HydrophobicContact CE-CH2 4.17Å; M1-W171 HydrophobicContact CE-CZ3 3.26Å; V4-W171 HydrophobicContact CG1-CB 4.03Å; V4-W171 HydrophobicContact CG1-CE3 4.04Å; I8-W171 HydrophobicContact CD1-CB 4.36Å; I8-W171 HydrophobicContact CD1-CD2 4.2Å; I8-W171 HydrophobicContact CD1-CE3 3.66Å; I8-W171 HydrophobicContact CD1-CG 4.49Å; I8-W171 HydrophobicContact CD1-CZ3 4.3Å; R65-W171 PolarHBondContact O-NE1 2.93Å; V68-W171 HydrophobicContact CB-CD2 4.14Å; V68-W171 HydrophobicContact CB-CG 4.47Å; V68-W171 HydrophobicContact CB-CH2 4.44Å; V68-W171 HydrophobicContact CB-CZ2 3.7Å; V68-W171 HydrophobicContact CG1-CD2 3.61Å; V68-W171 HydrophobicContact CG1-CE3 4.14Å; V68-W171 HydrophobicContact CG1-CG 3.79Å; V68-W171 HydrophobicContact CG1-CZ2 4.04Å; V68-W171 HydrophobicContact CG2-CH2 4.15Å; V68-W171 HydrophobicContact CG2-CZ2 3.76Å; L72-W171 HydrophobicContact CD1-CB 4.2Å; V112-W171 HydrophobicContact CG1-CH2 4Å; V112-W171 HydrophobicContact CG1-CZ3 4.32Å; V112-W171 HydrophobicContact CG2-CH2 4.4Å; A167-W171 WeakPolarHBondContact O-CB 3.36Å; A167-W171 PolarHBondContact O-N 2.98Å; L168-W171 PolarHBondContact O-N 3.44Å; F169-W171 VanDerWaalsContact C-N 3.33Å; F169-W171 PolarHBondContact O-N 2.88Å; W171-W173 PolarHBondContact O-N 2.92Å; W171-Q174 PolarHBondContact O-N 3.14Å; W171-S175 VanDerWaalsContact O-CB 3.23Å; W171-S175 WeakPolarHBondContact O-CB 3.21Å; W171-S175 PolarHBondContact O-N 3.07Å; W171-S175 PolarHBondContact O-OG 3.23Å |
| 172 | W | 92.3 | Very high | 83.9 | Confident | 119 Ų | 119 | 74.6 Ų | 74.6 | 45% | 0.451 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | -176.8 | -174 | -100.6 | 0 | 0 | 0 | 112.1 | R65 A69 L168 F169 S175 A176 | R65-W172 VanDerWaalsContact NH2-CE2 3.27Å; R65-W172 PolarHBondContact NH2-O 3.4Å; A69-W172 HydrophobicContact CB-CE3 3.93Å; A69-W172 HydrophobicContact CB-CZ3 4.12Å; L168-W172 VanDerWaalsContact O-CB 3.26Å; L168-W172 WeakPolarHBondContact O-CB 3.42Å; L168-W172 PolarHBondContact O-N 3.34Å; F169-W172 PolarHBondContact O-N 3.16Å; W172-S175 PolarHBondContact O-OG 2.9Å; W172-A176 WeakPolarHBondContact O-CB 2.92Å; W172-A176 PolarHBondContact O-N 3.37Å |
| 173 | W | 91.4 | Very high | 81.9 | Confident | 177 Ų | 177 | 77.7 Ų | 77.7 | 67% | 0.67 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.8 | -40 | 179 | -68.7 | -27.2 | 0 | 0 | 0 | 113.4 | F169 W171 | F169-W173 PolarHBondContact O-N 3.01Å; W171-W173 PolarHBondContact O-N 2.92Å |
| 174 | Q | 88.8 | Confident | 79.9 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 32% | 0.318 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -73.5 | -40.2 | -179.7 | -74.8 | -178.1 | 58.7 | 0 | 0 | 112.1 | M1 V4 A170 W171 A176 R177 | M1-Q174 HydrophobicContact SD-CB 4.28Å; V4-Q174 VanDerWaalsContact CG2-CD 3.49Å; A170-Q174 WeakPolarHBondContact O-CB 3.15Å; A170-Q174 WeakPolarHBondContact O-CG 3.43Å; A170-Q174 PolarHBondContact O-N 2.76Å; W171-Q174 PolarHBondContact O-N 3.14Å; Q174-A176 PolarHBondContact O-N 3.26Å; Q174-R177 PolarHBondContact O-N 3.05Å |
| 175 | S | 84.4 | Confident | 77.9 | Confident | 5 Ų | 5 | 89.2 Ų | 89.2 | 4% | 0.035 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -71.5 | -17.4 | 177 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | R65 W171 W172 R177 E178 | R65-S175 VanDerWaalsContact CD-OG 3.27Å; R65-S175 WeakPolarHBondContact CD-OG 3.32Å; R65-S175 VanDerWaalsContact CG-OG 3.29Å; R65-S175 WeakPolarHBondContact CG-OG 3.4Å; R65-S175 PolarHBondContact NE-OG 3.16Å; W171-S175 VanDerWaalsContact O-CB 3.23Å; W171-S175 WeakPolarHBondContact O-CB 3.21Å; W171-S175 PolarHBondContact O-N 3.07Å; W171-S175 PolarHBondContact O-OG 3.23Å; W172-S175 PolarHBondContact O-OG 2.9Å; S175-R177 PolarHBondContact O-N 3.25Å; S175-E178 PolarHBondContact O-N 2.9Å |
| 176 | A | 81.1 | Confident | 75.8 | Confident | 50 Ų | 50 | 93.1 Ų | 93.1 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R65 W172 Q174 E178 | R65-A176 VanDerWaalsContact CZ-CA 3.49Å; R65-A176 VanDerWaalsContact NH1-CA 3.32Å; W172-A176 WeakPolarHBondContact O-CB 2.92Å; W172-A176 PolarHBondContact O-N 3.37Å; Q174-A176 PolarHBondContact O-N 3.26Å; A176-E178 PolarHBondContact O-N 3.48Å |
| 177 | R | 72.2 | Confident | 73.9 | Confident | 228 Ų | 228 | 93.2 Ų | 93.2 | 86% | 0.86 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -0.3 | -177.6 | -61.2 | -176.9 | 178.3 | -165.3 | -2.1 | 113.1 | Q174 S175 | Q174-R177 PolarHBondContact O-N 3.05Å; S175-R177 PolarHBondContact O-N 3.25Å |
| 178 | E | 68 | Low | 72.1 | Confident | 78 Ų | 78 | 95.8 Ų | 95.8 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -103.5 | 127.7 | -175.8 | -78.8 | 164.6 | -123.7 | 0 | 0 | 111.9 | R116 S175 A176 A180 | R116-E178 IonicContact CZ-OE1 2.73Å; R116-E178 IonicContact CZ-OE2 2.63Å; R116-E178 IonicContact NE-OE2 3.78Å; R116-E178 VanDerWaalsContact NH1-CD 3.31Å; R116-E178 IonicContact NH1-OE1 3.39Å; R116-E178 PolarHBondContact NH1-OE1 3.43Å; R116-E178 IonicContact NH1-OE2 3.33Å; R116-E178 PolarHBondContact NH1-OE2 2.79Å; R116-E178 IonicContact NH2-OE1 3.06Å; R116-E178 PolarHBondContact NH2-OE1 3.29Å; R116-E178 IonicContact NH2-OE2 2.75Å; R116-E178 PolarHBondContact NH2-OE2 3.47Å; S175-E178 PolarHBondContact O-N 2.9Å; A176-E178 PolarHBondContact O-N 3.48Å; E178-A180 PolarHBondContact O-N 3.31Å |
| 179 | V | 59.6 | Low | 70.4 | Confident | 143 Ų | 143 | 100.1 Ų | 100.1 | 87% | 0.867 | 53% | 0.533 | S | S | * | . | trans | -63.6 | 122.9 | 167.3 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | S181 | V179-S181 PolarHBondContact O-N 3.46Š| ||
| 180 | A | 59 | Low | 69 | Low | 94 Ų | 94 | 96.5 Ų | 96.5 | 78% | 0.777 | 52% | 0.52 | S | S | * | . | trans | -61.4 | 108.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110 | E178 S182 | E178-A180 PolarHBondContact O-N 3.31Å; A180-S182 PolarHBondContact O-N 3.37Å | ||
| 181 | S | 55.8 | Low | 68.1 | Low | 66 Ų | 66 | 104.3 Ų | 104.3 | 46% | 0.462 | 55% | 0.545 | S | S | . | . | trans | -81.3 | 109.3 | 169.1 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | V179 H183 | V179-S181 PolarHBondContact O-N 3.46Å; S181-H183 PolarHBondContact O-N 2.83Å | ||
| 182 | S | 52.3 | Low | 67.5 | Low | 105 Ų | 105 | 104.5 Ų | 104.5 | 73% | 0.734 | 55% | 0.546 | S | S | * | . | trans | -77.9 | 104.9 | 170.1 | -175 | 0 | 0 | 0 | 0 | 108.3 | A180 | A180-S182 PolarHBondContact O-N 3.37Š| ||
| 183 | H | 53.4 | Low | 67.1 | Low | 166 Ų | 166 | 102.4 Ų | 102.4 | 77% | 0.769 | 55% | 0.546 | S | S | * | . | trans | -113.6 | 110.5 | 166.1 | -81.5 | 1.1 | 0 | 0 | 0 | 109 | S181 T185 | S181-H183 PolarHBondContact O-N 2.83Å; H183-T185 PolarHBondContact O-N 2.97Å | ||
| 184 | K | 53.3 | Low | 66.7 | Low | 194 Ų | 194 | 100.9 Ų | 100.9 | 84% | 0.843 | 55% | 0.545 | S | S | * | . | trans | -66.2 | 110.2 | 165.9 | -67.4 | -176.5 | 177.8 | -178.4 | 0 | 107.1 | T186 | K184-T186 PolarHBondContact O-N 3.38Š| ||
| 185 | T | 54.3 | Low | 66.6 | Low | 85 Ų | 85 | 97.9 Ų | 97.9 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | trans | -67.1 | 115.3 | 166 | 27.4 | 0 | 0 | 0 | 0 | 107.6 | H183 T187 | H183-T185 PolarHBondContact O-N 2.97Å; T185-T187 PolarHBondContact O-N 3.23Å; T185-T187 VanDerWaalsContact O-N 3.14Å | ||
| 186 | T | 51.9 | Low | 66.8 | Low | 131 Ų | 131 | 102.3 Ų | 102.3 | 80% | 0.804 | 56% | 0.56 | S | S | * | * | trans | -65.7 | 112.1 | 170.8 | 39.2 | 0 | 0 | 0 | 0 | 108.3 | K184 T188 | K184-T186 PolarHBondContact O-N 3.38Å; T186-T188 PolarHBondContact O-N 2.87Å; T186-T188 VanDerWaalsContact O-N 3.14Å | ||
| 187 | T | 56.2 | Low | 67.1 | Low | 86 Ų | 86 | 101.4 Ų | 101.4 | 53% | 0.528 | 55% | 0.546 | S | S | . | . | trans | -77.6 | 95.4 | 176.3 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | Q60 T185 | Q60-T187 VanDerWaalsContact NE2-CG2 3.32Å; T185-T187 PolarHBondContact O-N 3.23Å; T185-T187 VanDerWaalsContact O-N 3.14Å | ||
| 188 | T | 59.1 | Low | 68 | Low | 54 Ų | 54 | 90.6 Ų | 90.6 | 33% | 0.331 | 51% | 0.505 | S | S | . | . | trans | -63.2 | 126.9 | 167.3 | -41.9 | 0 | 0 | 0 | 0 | 108.6 | T186 V190 K320 | T186-T188 PolarHBondContact O-N 2.87Å; T186-T188 VanDerWaalsContact O-N 3.14Å; T188-V190 HydrophobicContact CG2-CG2 3.79Å; T188-V190 PolarHBondContact O-N 3.3Å; T188-K320 WeakPolarHBondContact O-CE 3.45Å; T188-K320 PolarHBondContact O-NZ 3.04Å | ||
| 189 | P | 60.6 | Low | 69.2 | Low | 122 Ų | 122 | 92.4 Ų | 92.4 | 79% | 0.792 | 51% | 0.508 | S | S | * | . | trans | -75.6 | 55.6 | -176.1 | 31.9 | -36.3 | 0 | 0 | 0 | 112.6 | ||||
| 190 | V | 65.3 | Low | 70.8 | Confident | 33 Ų | 33 | 88 Ų | 88 | 20% | 0.2 | 48% | 0.482 | C | S | . | . | trans | -84.2 | 119.4 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | T188 V192 I317 K320 W380 | T188-V190 HydrophobicContact CG2-CG2 3.79Å; T188-V190 PolarHBondContact O-N 3.3Å; V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 HydrophobicContact CG1-CG2 3.93Å; V190-V192 PolarHBondContact O-N 3.23Å; V190-I317 HydrophobicContact CG1-CG2 4.38Å; V190-I317 HydrophobicContact CG2-CD1 4.02Å; V190-I317 HydrophobicContact CG2-CG1 3.87Å; V190-K320 HydrophobicContact CB-CD 4.24Å; V190-W380 HydrophobicContact CG1-CZ3 3.93Å | ||
| 191 | R | 76.3 | Confident | 72.5 | Confident | 184 Ų | 184 | 83.6 Ų | 83.6 | 69% | 0.694 | 45% | 0.446 | S | S | * | . | trans | -91.7 | 64.4 | -177.3 | -59.4 | 178.2 | 170.5 | -169.8 | 1.4 | 111.6 | V193 F194 | R191-V193 PolarHBondContact O-N 3.26Å; R191-F194 HydrophobicContact CB-CD2 3.67Å; R191-F194 HydrophobicContact CB-CE2 4.18Å; R191-F194 HydrophobicContact CG-CD2 4.37Å; R191-F194 HydrophobicContact CG-CE2 4.47Å; R191-F194 PolarHBondContact O-N 3.46Å | ||
| 192 | V | 81.4 | Confident | 74.3 | Confident | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -50.8 | -28.6 | 178.1 | 178.6 | 0 | 0 | 0 | 0 | 113.1 | V190 F194 T195 A198 K320 L321 F324 W380 | V190-V192 VanDerWaalsContact C-N 3.34Å; V190-V192 HydrophobicContact CG1-CG2 3.93Å; V190-V192 PolarHBondContact O-N 3.23Å; V192-F194 PolarHBondContact O-N 3.5Å; V192-T195 PolarHBondContact O-N 3Å; V192-T195 VanDerWaalsContact O-N 3.12Å; V192-T195 PolarHBondContact O-OG1 2.99Å; V192-A198 HydrophobicContact CG1-CB 3.46Å; V192-A198 VanDerWaalsContact CG1-CB 3.46Å; V192-A198 VanDerWaalsContact O-CB 3.28Å; V192-A198 WeakPolarHBondContact O-CB 3.5Å; V192-K320 HydrophobicContact CG2-CB 3.92Å; V192-L321 HydrophobicContact CG1-CD1 3.67Å; V192-F324 HydrophobicContact CG1-CB 3.81Å; V192-F324 HydrophobicContact CG1-CD1 4Å; V192-F324 HydrophobicContact CG1-CG 3.89Å; V192-W380 HydrophobicContact CG1-CH2 4.47Å; V192-W380 HydrophobicContact CG2-CH2 4.13Å; V192-W380 HydrophobicContact CG2-CZ3 4.28Å |
| 193 | V | 85.5 | Confident | 76.4 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 45% | 0.448 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | -60.1 | -27.5 | 179.6 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | R191 W199 F324 | R191-V193 PolarHBondContact O-N 3.26Å; V193-W199 HydrophobicContact CG1-CZ2 4.44Å; V193-W199 PolarHBondContact O-NE1 3.44Å; V193-F324 HydrophobicContact CB-CE2 4.17Å; V193-F324 HydrophobicContact CG1-CE2 4.21Å; V193-F324 HydrophobicContact CG2-CD2 4.06Å; V193-F324 HydrophobicContact CG2-CE2 3.76Å |
| 194 | F | 83.4 | Confident | 78.5 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 64% | 0.64 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -91.7 | -5.1 | 179.9 | -62 | -64.8 | 0 | 0 | 0 | 113.5 | R191 V192 P196 | R191-F194 HydrophobicContact CB-CD2 3.67Å; R191-F194 HydrophobicContact CB-CE2 4.18Å; R191-F194 HydrophobicContact CG-CD2 4.37Å; R191-F194 HydrophobicContact CG-CE2 4.47Å; R191-F194 PolarHBondContact O-N 3.46Å; V192-F194 PolarHBondContact O-N 3.5Å; F194-P196 WeakPolarHBondContact O-CD 3.28Å |
| 195 | T | 85.2 | Confident | 80.5 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | trans | -86.7 | 116.1 | -177.8 | -43.1 | 0 | 0 | 0 | 0 | 110.1 | V192 R197 A198 W199 E383 | V192-T195 PolarHBondContact O-N 3Å; V192-T195 VanDerWaalsContact O-N 3.12Å; V192-T195 PolarHBondContact O-OG1 2.99Å; T195-R197 HydrophobicContact CG2-CB 4.19Å; T195-R197 PolarHBondContact O-N 3.46Å; T195-A198 VanDerWaalsContact O-CB 3.31Å; T195-A198 WeakPolarHBondContact O-CB 3.11Å; T195-A198 PolarHBondContact O-N 3.09Å; T195-W199 PolarHBondContact O-N 2.86Å; T195-E383 PolarHBondContact OG1-OE2 3.33Å; T195-E383 VanDerWaalsContact OG1-OE2 3.07Å | ||
| 196 | P | 88.7 | Confident | 82.5 | Confident | 98 Ų | 98 | 57 Ų | 57 | 64% | 0.636 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.7 | -27.7 | -178.6 | -25.9 | 35.1 | 0 | 0 | 0 | 113.9 | F194 A198 W199 T200 | F194-P196 WeakPolarHBondContact O-CD 3.28Å; P196-A198 VanDerWaalsContact C-N 3.34Å; P196-W199 PolarHBondContact O-N 2.86Å; P196-T200 PolarHBondContact O-N 3.33Å; P196-T200 PolarHBondContact O-OG1 3.16Å |
| 197 | R | 87.7 | Confident | 84.7 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 175.8 | -168.7 | 60 | 162.5 | -159.1 | -13.9 | 112.1 | T195 T200 L201 H311 R370 L379 | T195-R197 HydrophobicContact CG2-CB 4.19Å; T195-R197 PolarHBondContact O-N 3.46Å; R197-T200 PolarHBondContact O-N 3.17Å; R197-L201 WeakPolarHBondContact O-CG 3.43Å; R197-L201 PolarHBondContact O-N 3.05Å; R197-H311 PolarHBondContact NE-NE2 2.92Å; R197-R370 PolarHBondContact NH1-O 3.14Å; R197-R370 VanDerWaalsContact NH1-O 3.14Å; R197-R370 PolarHBondContact NH2-O 3.42Å; R197-L379 HydrophobicContact CB-CD1 4.28Å; R197-L379 HydrophobicContact CG-CD1 4.02Å |
| 198 | A | 90.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V192 T195 P196 L201 G202 L321 F324 | V192-A198 HydrophobicContact CG1-CB 3.46Å; V192-A198 VanDerWaalsContact CG1-CB 3.46Å; V192-A198 VanDerWaalsContact O-CB 3.28Å; V192-A198 WeakPolarHBondContact O-CB 3.5Å; T195-A198 VanDerWaalsContact O-CB 3.31Å; T195-A198 WeakPolarHBondContact O-CB 3.11Å; T195-A198 PolarHBondContact O-N 3.09Å; P196-A198 VanDerWaalsContact C-N 3.34Å; A198-L201 PolarHBondContact O-N 3.1Å; A198-G202 PolarHBondContact O-N 2.86Å; A198-L321 HydrophobicContact CB-CD1 3.55Å; A198-F324 HydrophobicContact CB-CD1 3.67Å; A198-F324 HydrophobicContact CB-CE1 3.76Å |
| 199 | W | 94 | Very high | 88.2 | Confident | 116 Ų | 116 | 47 Ų | 47 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 172 | -74.6 | 97.1 | 0 | 0 | 0 | 112.7 | V193 T195 P196 L201 G202 V203 F324 I328 | V193-W199 HydrophobicContact CG1-CZ2 4.44Å; V193-W199 PolarHBondContact O-NE1 3.44Å; T195-W199 PolarHBondContact O-N 2.86Å; P196-W199 PolarHBondContact O-N 2.86Å; W199-L201 VanDerWaalsContact C-N 3.3Å; W199-L201 PolarHBondContact O-N 2.89Å; W199-G202 PolarHBondContact O-N 3.09Å; W199-V203 WeakPolarHBondContact O-CB 3.45Å; W199-V203 WeakPolarHBondContact O-CG2 3.31Å; W199-V203 PolarHBondContact O-N 2.74Å; W199-F324 HydrophobicContact CD2-CE1 4.39Å; W199-F324 HydrophobicContact CD2-CZ 4.13Å; W199-F324 AromaticContact CE2-CZ 3.8Å; W199-F324 HydrophobicContact CG-CE1 4.48Å; W199-F324 HydrophobicContact CH2-CZ 4.45Å; W199-F324 AromaticContact CZ2-CZ 3.99Å; W199-F324 HydrophobicContact CZ2-CZ 3.99Å; W199-I328 HydrophobicContact CE3-CG2 4.33Å; W199-I328 HydrophobicContact CH2-CD1 4.11Å; W199-I328 HydrophobicContact CZ3-CD1 4.03Å; W199-I328 HydrophobicContact CZ3-CG1 4.35Å; W199-I328 HydrophobicContact CZ3-CG2 4.19Å |
| 200 | T | 93.5 | Very high | 89.9 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 32% | 0.319 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 176.1 | -54.6 | 0 | 0 | 0 | 0 | 111 | P196 R197 Y204 I367 F371 | P196-T200 PolarHBondContact O-N 3.33Å; P196-T200 PolarHBondContact O-OG1 3.16Å; R197-T200 PolarHBondContact O-N 3.17Å; T200-Y204 WeakPolarHBondContact O-CB 3.48Å; T200-Y204 PolarHBondContact O-N 3.06Å; T200-I367 HydrophobicContact CG2-CG2 4.22Å; T200-F371 HydrophobicContact CG2-CE1 4.17Å; T200-F371 HydrophobicContact CG2-CZ 4.12Å |
| 201 | L | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 176.2 | -72.4 | 169.6 | 0 | 0 | 0 | 111.7 | R197 A198 W199 Y204 F205 L307 A308 L321 M325 F371 | R197-L201 WeakPolarHBondContact O-CG 3.43Å; R197-L201 PolarHBondContact O-N 3.05Å; A198-L201 PolarHBondContact O-N 3.1Å; W199-L201 VanDerWaalsContact C-N 3.3Å; W199-L201 PolarHBondContact O-N 2.89Å; L201-Y204 PolarHBondContact O-N 3.5Å; L201-F205 VanDerWaalsContact O-CB 3.27Å; L201-F205 WeakPolarHBondContact O-CB 3.4Å; L201-F205 PolarHBondContact O-N 3.16Å; L201-L307 HydrophobicContact CD2-CD2 3.86Å; L201-L307 HydrophobicContact CD2-CG 4.12Å; L201-A308 HydrophobicContact CD1-CB 4.41Å; L201-L321 HydrophobicContact CD1-CD1 4.09Å; L201-L321 HydrophobicContact CD1-CD2 3.85Å; L201-L321 HydrophobicContact CD1-CG 4.1Å; L201-M325 HydrophobicContact CB-CB 4.35Å; L201-M325 HydrophobicContact CB-CG 3.97Å; L201-M325 HydrophobicContact CB-SD 3.97Å; L201-M325 HydrophobicContact CD2-SD 4.5Å; L201-M325 WeakPolarHBondContact O-CG 3.29Å; L201-F371 HydrophobicContact CD2-CD1 4.43Å; L201-F371 HydrophobicContact CD2-CE1 3.74Å; L201-F371 HydrophobicContact CD2-CZ 4.05Å; L201-F371 HydrophobicContact CG-CE1 4.43Å |
| 202 | G | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -47 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | A198 W199 F205 G206 G329 | A198-G202 PolarHBondContact O-N 2.86Å; W199-G202 PolarHBondContact O-N 3.09Å; G202-F205 PolarHBondContact O-N 2.94Å; G202-G206 PolarHBondContact O-N 3.13Å; G202-G329 VanDerWaalsContact O-CA 3.23Å; G202-G329 WeakPolarHBondContact O-CA 3.39Å |
| 203 | V | 96.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 32.1 Ų | 32.1 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 175.8 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | W199 F205 G206 L207 I332 | W199-V203 WeakPolarHBondContact O-CB 3.45Å; W199-V203 WeakPolarHBondContact O-CG2 3.31Å; W199-V203 PolarHBondContact O-N 2.74Å; V203-F205 PolarHBondContact O-N 3.33Å; V203-G206 PolarHBondContact O-N 2.94Å; V203-L207 HydrophobicContact CG1-CD1 3.84Å; V203-L207 HydrophobicContact CG1-CG 4.22Å; V203-L207 WeakPolarHBondContact O-CB 3.35Å; V203-L207 WeakPolarHBondContact O-CG 3.05Å; V203-L207 PolarHBondContact O-N 3.12Å; V203-I332 HydrophobicContact CB-CD1 4.3Å; V203-I332 HydrophobicContact CG2-CD1 3.9Å |
| 204 | Y | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.8 | -48.9 | 176.7 | -177.9 | -97.5 | 0 | 0 | 0 | 111.7 | T200 L201 G206 I208 L264 L364 I367 T368 F371 | T200-Y204 WeakPolarHBondContact O-CB 3.48Å; T200-Y204 PolarHBondContact O-N 3.06Å; L201-Y204 PolarHBondContact O-N 3.5Å; Y204-G206 VanDerWaalsContact C-N 3.31Å; Y204-G206 PolarHBondContact O-N 3.36Å; Y204-I208 HydrophobicContact CD1-CD1 3.63Å; Y204-I208 HydrophobicContact CD2-CD1 4.44Å; Y204-I208 HydrophobicContact CE1-CD1 3.21Å; Y204-I208 HydrophobicContact CE2-CD1 4.09Å; Y204-I208 HydrophobicContact CG-CD1 4.23Å; Y204-I208 VanDerWaalsContact CZ-CD1 3.46Å; Y204-I208 VanDerWaalsContact O-CG1 3.29Å; Y204-I208 WeakPolarHBondContact O-CG1 3.37Å; Y204-I208 PolarHBondContact O-N 2.68Å; Y204-I208 VanDerWaalsContact O-N 3.14Å; Y204-L264 HydrophobicContact CE1-CD2 4.47Å; Y204-L364 HydrophobicContact CD2-CD2 3.23Å; Y204-L364 HydrophobicContact CD2-CG 4.5Å; Y204-L364 HydrophobicContact CE2-CB 4.17Å; Y204-L364 HydrophobicContact CE2-CD2 3.61Å; Y204-L364 HydrophobicContact CG-CD2 3.88Å; Y204-I367 HydrophobicContact CD2-CB 4.05Å; Y204-I367 HydrophobicContact CD2-CG2 3.64Å; Y204-I367 HydrophobicContact CE2-CB 4.38Å; Y204-I367 HydrophobicContact CE2-CG2 4.26Å; Y204-I367 HydrophobicContact CG-CG2 4.46Å; Y204-T368 WeakPolarHBondContact CE2-OG1 3.47Å; Y204-T368 PolarHBondContact OH-OG1 3.23Å; Y204-F371 AromaticContact CD1-CE2 3.9Å; Y204-F371 HydrophobicContact CD1-CE2 3.9Å; Y204-F371 HydrophobicContact CD1-CZ 4.29Å; Y204-F371 AromaticContact CD2-CE2 3.66Å; Y204-F371 HydrophobicContact CD2-CE2 3.66Å; Y204-F371 HydrophobicContact CD2-CZ 4.18Å; Y204-F371 AromaticContact CE1-CE2 3.96Å; Y204-F371 HydrophobicContact CE1-CE2 3.96Å; Y204-F371 AromaticContact CE2-CE2 3.74Å; Y204-F371 HydrophobicContact CE2-CE2 3.74Å; Y204-F371 AromaticContact CG-CE2 3.75Å; Y204-F371 HydrophobicContact CG-CE2 3.75Å; Y204-F371 AromaticContact CG-CZ 3.98Å; Y204-F371 HydrophobicContact CG-CZ 3.98Å; Y204-F371 AromaticContact CZ-CE2 3.89Å |
| 205 | F | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -39.8 | 176.8 | -172.3 | -103.7 | 0 | 0 | 0 | 111.9 | L201 G202 V203 N209 F301 C304 L305 M325 Q326 F330 | L201-F205 VanDerWaalsContact O-CB 3.27Å; L201-F205 WeakPolarHBondContact O-CB 3.4Å; L201-F205 PolarHBondContact O-N 3.16Å; G202-F205 PolarHBondContact O-N 2.94Å; V203-F205 PolarHBondContact O-N 3.33Å; F205-N209 WeakPolarHBondContact CD2-ND2 3.31Å; F205-N209 WeakPolarHBondContact CE1-ND2 3.43Å; F205-N209 VanDerWaalsContact CE2-ND2 3.33Å; F205-N209 WeakPolarHBondContact CE2-ND2 3.33Å; F205-N209 VanDerWaalsContact CZ-ND2 3.3Å; F205-N209 WeakPolarHBondContact CZ-ND2 3.39Å; F205-N209 WeakPolarHBondContact O-CB 3.35Å; F205-N209 PolarHBondContact O-N 3.45Å; F205-N209 PolarHBondContact O-ND2 3.39Å; F205-F301 HydrophobicContact CE1-CE2 4.47Å; F205-F301 AromaticContact CE2-CD2 3.94Å; F205-F301 HydrophobicContact CE2-CD2 3.94Å; F205-F301 HydrophobicContact CE2-CE2 4.06Å; F205-F301 AromaticContact CZ-CD2 3.76Å; F205-F301 HydrophobicContact CZ-CD2 3.76Å; F205-F301 AromaticContact CZ-CE2 3.45Å; F205-F301 HydrophobicContact CZ-CE2 3.45Å; F205-F301 VanDerWaalsContact CZ-CE2 3.45Å; F205-F301 HydrophobicContact CZ-CZ 4.15Å; F205-C304 HydrophobicContact CD2-CB 3.61Å; F205-C304 HydrophobicContact CE2-CB 4.08Å; F205-L305 HydrophobicContact CE2-CD2 4.24Å; F205-M325 HydrophobicContact CB-CG 3.69Å; F205-M325 HydrophobicContact CB-SD 4.12Å; F205-M325 HydrophobicContact CD2-CE 4.02Å; F205-M325 HydrophobicContact CD2-SD 4.37Å; F205-M325 HydrophobicContact CE2-CE 4.34Å; F205-M325 HydrophobicContact CG-CE 4.35Å; F205-M325 HydrophobicContact CG-CG 4.08Å; F205-M325 HydrophobicContact CG-SD 4.38Å; F205-Q326 HydrophobicContact CE1-CB 4.35Å; F205-Q326 HydrophobicContact CE1-CG 4.01Å; F205-Q326 HydrophobicContact CZ-CG 4.08Å; F205-F330 HydrophobicContact CE1-CE1 4.27Å; F205-F330 HydrophobicContact CE1-CE2 4.29Å; F205-F330 HydrophobicContact CE1-CZ 4.14Å; F205-F330 HydrophobicContact CZ-CZ 4.37Å |
| 206 | G | 96.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.7 | -44.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G202 V203 Y204 I208 N209 G210 G329 | G202-G206 PolarHBondContact O-N 3.13Å; V203-G206 PolarHBondContact O-N 2.94Å; Y204-G206 VanDerWaalsContact C-N 3.31Å; Y204-G206 PolarHBondContact O-N 3.36Å; G206-I208 VanDerWaalsContact C-N 3.34Å; G206-I208 PolarHBondContact O-N 3.49Å; G206-N209 PolarHBondContact O-N 3.08Å; G206-G210 WeakPolarHBondContact O-CA 3.3Å; G206-G210 PolarHBondContact O-N 2.85Å; G206-G329 VanDerWaalsContact CA-CA 3.4Å; G206-G329 WeakPolarHBondContact CA-O 3.33Å |
| 207 | L | 96.8 | Very high | 94.3 | Very high | 53 Ų | 53 | 17 Ų | 17 | 28% | 0.277 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 176 | -69.2 | 175 | 0 | 0 | 0 | 111.7 | V203 G210 I332 L364 | V203-L207 HydrophobicContact CG1-CD1 3.84Å; V203-L207 HydrophobicContact CG1-CG 4.22Å; V203-L207 WeakPolarHBondContact O-CB 3.35Å; V203-L207 WeakPolarHBondContact O-CG 3.05Å; V203-L207 PolarHBondContact O-N 3.12Å; L207-G210 PolarHBondContact O-N 3.49Å; L207-I332 HydrophobicContact CD2-CG2 4.41Å; L207-L364 HydrophobicContact CB-CD1 3.94Å; L207-L364 HydrophobicContact CB-CD2 3.97Å; L207-L364 HydrophobicContact CB-CG 4.16Å; L207-L364 HydrophobicContact CD1-CD2 4.42Å |
| 208 | I | 95.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 174.5 | -73.6 | 171.4 | 0 | 0 | 0 | 110.6 | Y204 G206 G210 G211 L268 L297 A300 L364 | Y204-I208 HydrophobicContact CD1-CD1 3.63Å; Y204-I208 HydrophobicContact CD2-CD1 4.44Å; Y204-I208 HydrophobicContact CE1-CD1 3.21Å; Y204-I208 HydrophobicContact CE2-CD1 4.09Å; Y204-I208 HydrophobicContact CG-CD1 4.23Å; Y204-I208 VanDerWaalsContact CZ-CD1 3.46Å; Y204-I208 VanDerWaalsContact O-CG1 3.29Å; Y204-I208 WeakPolarHBondContact O-CG1 3.37Å; Y204-I208 PolarHBondContact O-N 2.68Å; Y204-I208 VanDerWaalsContact O-N 3.14Å; G206-I208 VanDerWaalsContact C-N 3.34Å; G206-I208 PolarHBondContact O-N 3.49Å; I208-G210 VanDerWaalsContact C-N 3.27Å; I208-G210 PolarHBondContact O-N 3.02Å; I208-G211 PolarHBondContact O-N 3.23Å; I208-L268 HydrophobicContact CD1-CD2 4.45Å; I208-L268 HydrophobicContact CG1-CD2 4.22Å; I208-L297 WeakPolarHBondContact O-CD2 3.24Å; I208-A300 HydrophobicContact CG2-CB 3.74Å; I208-L364 HydrophobicContact CB-CD1 4.36Å; I208-L364 HydrophobicContact CD1-CD2 4.33Å; I208-L364 HydrophobicContact CG1-CD1 3.46Å; I208-L364 VanDerWaalsContact CG1-CD1 3.46Å; I208-L364 HydrophobicContact CG1-CD2 3.9Å; I208-L364 HydrophobicContact CG1-CG 4.23Å |
| 209 | N | 94.6 | Very high | 94.9 | Very high | 8 Ų | 8 | 15.6 Ų | 15.6 | 4% | 0.043 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -76.2 | -16 | -177.9 | -72.8 | -73.6 | 0 | 0 | 0 | 113.1 | F205 G206 G211 Y212 A213 F301 A333 | F205-N209 WeakPolarHBondContact CD2-ND2 3.31Å; F205-N209 WeakPolarHBondContact CE1-ND2 3.43Å; F205-N209 VanDerWaalsContact CE2-ND2 3.33Å; F205-N209 WeakPolarHBondContact CE2-ND2 3.33Å; F205-N209 VanDerWaalsContact CZ-ND2 3.3Å; F205-N209 WeakPolarHBondContact CZ-ND2 3.39Å; F205-N209 WeakPolarHBondContact O-CB 3.35Å; F205-N209 PolarHBondContact O-N 3.45Å; F205-N209 PolarHBondContact O-ND2 3.39Å; G206-N209 PolarHBondContact O-N 3.08Å; N209-G211 VanDerWaalsContact C-N 3.31Å; N209-G211 PolarHBondContact O-N 3.41Å; N209-Y212 WeakPolarHBondContact O-CB 3.33Å; N209-Y212 PolarHBondContact O-N 3.46Å; N209-A213 PolarHBondContact O-N 3.16Å; N209-F301 WeakPolarHBondContact OD1-CD2 3.28Å; N209-A333 HydrophobicContact CB-CB 3.8Å |
| 210 | G | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G206 L207 I208 Y212 A213 S214 H357 | G206-G210 WeakPolarHBondContact O-CA 3.3Å; G206-G210 PolarHBondContact O-N 2.85Å; L207-G210 PolarHBondContact O-N 3.49Å; I208-G210 VanDerWaalsContact C-N 3.27Å; I208-G210 PolarHBondContact O-N 3.02Å; G210-Y212 VanDerWaalsContact C-N 3.3Å; G210-Y212 PolarHBondContact O-N 3.39Å; G210-A213 PolarHBondContact O-N 3.41Å; G210-S214 PolarHBondContact O-N 3.22Å; G210-S214 PolarHBondContact O-OG 3.07Å; G210-H357 PolarHBondContact O-CE1 3.22Å |
| 211 | G | 94.5 | Very high | 95 | Very high | 2 Ų | 2 | 7.8 Ų | 7.8 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I208 N209 L215 H357 | I208-G211 PolarHBondContact O-N 3.23Å; N209-G211 VanDerWaalsContact C-N 3.31Å; N209-G211 PolarHBondContact O-N 3.41Å; G211-L215 WeakPolarHBondContact O-CB 3.3Å; G211-L215 WeakPolarHBondContact O-CD1 2.86Å; G211-L215 VanDerWaalsContact O-CG 3.25Å; G211-L215 WeakPolarHBondContact O-CG 3.4Å; G211-L215 PolarHBondContact O-N 3.49Å; G211-H357 WeakPolarHBondContact CA-ND1 3.29Å |
| 212 | Y | 93.5 | Very high | 95.1 | Very high | 24 Ų | 24 | 8.2 Ų | 8.2 | 9% | 0.094 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 174.7 | 159.6 | -104.9 | 0 | 0 | 0 | 112.5 | R13 N209 G210 S214 L215 I216 M240 Q244 | R13-Y212 WeakPolarHBondContact CD-OH 3.2Å; R13-Y212 PolarHBondContact NE-OH 3.04Å; R13-Y212 VanDerWaalsContact NH1-CE2 3.3Å; R13-Y212 VanDerWaalsContact NH1-CZ 3.27Å; R13-Y212 PolarHBondContact NH1-OH 3.32Å; R13-Y212 PolarHBondContact NH2-OH 2.89Å; N209-Y212 WeakPolarHBondContact O-CB 3.33Å; N209-Y212 PolarHBondContact O-N 3.46Å; G210-Y212 VanDerWaalsContact C-N 3.3Å; G210-Y212 PolarHBondContact O-N 3.39Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; Y212-S214 PolarHBondContact O-N 3.13Å; Y212-L215 PolarHBondContact O-N 3.07Å; Y212-I216 HydrophobicContact CD2-CD1 4.18Å; Y212-I216 HydrophobicContact CD2-CG1 4.4Å; Y212-I216 HydrophobicContact CE1-CD1 3.97Å; Y212-I216 HydrophobicContact CE2-CD1 3.25Å; Y212-I216 HydrophobicContact CE2-CG1 3.84Å; Y212-I216 PolarHBondContact O-N 3.41Å; Y212-I216 WeakPolarHBondContact OH-CD1 3.43Å; Y212-M240 HydrophobicContact CD2-CE 4.32Å; Y212-Q244 VanDerWaalsContact CD2-NE2 3.33Å |
| 213 | A | 93.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 3% | 0.033 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | N209 G210 I216 A217 A333 P337 | N209-A213 PolarHBondContact O-N 3.16Å; G210-A213 PolarHBondContact O-N 3.41Å; A213-I216 PolarHBondContact O-N 2.88Å; A213-A217 PolarHBondContact O-N 3.09Å; A213-A217 VanDerWaalsContact O-N 3.08Å; A213-A333 VanDerWaalsContact CB-O 3.25Å; A213-A333 WeakPolarHBondContact CB-O 3.3Å; A213-P337 HydrophobicContact CB-CG 3.67Å |
| 214 | S | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 178.5 | -64.2 | 0 | 0 | 0 | 0 | 112.7 | G210 Y212 I216 A217 W218 A336 S340 H357 | G210-S214 PolarHBondContact O-N 3.22Å; G210-S214 PolarHBondContact O-OG 3.07Å; Y212-S214 VanDerWaalsContact C-N 3.35Å; Y212-S214 PolarHBondContact O-N 3.13Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 3.36Å; S214-A217 PolarHBondContact O-N 2.89Å; S214-W218 WeakPolarHBondContact O-CB 3.37Å; S214-W218 PolarHBondContact O-N 3.32Å; S214-A336 VanDerWaalsContact OG-C 3.3Å; S214-S340 WeakPolarHBondContact CB-OG 3.41Å; S214-S340 PolarHBondContact OG-OG 3.04Å; S214-H357 WeakPolarHBondContact CB-NE2 3.48Å; S214-H357 PolarHBondContact OG-CE1 2.86Å; S214-H357 PolarHBondContact OG-NE2 3.12Å |
| 215 | L | 95.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 173.6 | -74.8 | 162.4 | 0 | 0 | 0 | 112.1 | G211 Y212 A217 L219 M240 F275 F278 C293 L297 W354 | G211-L215 WeakPolarHBondContact O-CB 3.3Å; G211-L215 WeakPolarHBondContact O-CD1 2.86Å; G211-L215 VanDerWaalsContact O-CG 3.25Å; G211-L215 WeakPolarHBondContact O-CG 3.4Å; G211-L215 PolarHBondContact O-N 3.49Å; Y212-L215 PolarHBondContact O-N 3.07Å; L215-A217 VanDerWaalsContact C-N 3.33Å; L215-A217 PolarHBondContact O-N 2.9Å; L215-L219 HydrophobicContact CB-CB 4.46Å; L215-L219 HydrophobicContact CD2-CB 4.16Å; L215-L219 HydrophobicContact CD2-CD1 3.92Å; L215-L219 HydrophobicContact CD2-CD2 4.29Å; L215-L219 HydrophobicContact CD2-CG 4.36Å; L215-L219 WeakPolarHBondContact O-CA 3.46Å; L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 PolarHBondContact O-N 2.79Å; L215-M240 HydrophobicContact CB-CE 3.9Å; L215-M240 HydrophobicContact CB-SD 3.68Å; L215-M240 HydrophobicContact CD1-SD 3.76Å; L215-M240 HydrophobicContact CD2-SD 4.44Å; L215-M240 HydrophobicContact CG-SD 4.18Å; L215-F275 HydrophobicContact CD1-CE1 3.99Å; L215-F275 HydrophobicContact CD1-CZ 3.89Å; L215-F275 HydrophobicContact CD2-CE1 4.23Å; L215-F275 HydrophobicContact CG-CE1 4.09Å; L215-F275 HydrophobicContact CG-CZ 4.37Å; L215-F278 HydrophobicContact CD2-CD2 4.19Å; L215-F278 HydrophobicContact CD2-CE2 3.63Å; L215-F278 HydrophobicContact CD2-CZ 4.34Å; L215-C293 VanDerWaalsContact CD1-SG 3.55Å; L215-L297 HydrophobicContact CD1-CD1 3.61Å; L215-W354 HydrophobicContact CD2-CE3 4.34Å; L215-W354 HydrophobicContact CD2-CH2 3.61Å; L215-W354 HydrophobicContact CD2-CZ3 3.48Å; L215-W354 VanDerWaalsContact CD2-CZ3 3.48Å; L215-W354 HydrophobicContact CG-CH2 4.39Å; L215-W354 HydrophobicContact CG-CZ3 3.99Å |
| 216 | I | 93.2 | Very high | 95 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.015 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.4 | -45.1 | 173.3 | -80.8 | -175.3 | 0 | 0 | 0 | 111.9 | L16 T17 T41 Y212 A213 S214 L237 M240 | L16-I216 HydrophobicContact CB-CG2 4.4Å; T17-I216 HydrophobicContact CG2-CD1 3.73Å; T17-I216 HydrophobicContact CG2-CG1 4.12Å; T17-I216 HydrophobicContact CG2-CG2 4.04Å; T41-I216 HydrophobicContact CG2-CG2 4.18Å; Y212-I216 HydrophobicContact CD2-CD1 4.18Å; Y212-I216 HydrophobicContact CD2-CG1 4.4Å; Y212-I216 HydrophobicContact CE1-CD1 3.97Å; Y212-I216 HydrophobicContact CE2-CD1 3.25Å; Y212-I216 HydrophobicContact CE2-CG1 3.84Å; Y212-I216 PolarHBondContact O-N 3.41Å; Y212-I216 WeakPolarHBondContact OH-CD1 3.43Å; A213-I216 PolarHBondContact O-N 2.88Å; S214-I216 VanDerWaalsContact C-N 3.34Å; S214-I216 PolarHBondContact O-N 3.36Å; I216-L237 HydrophobicContact CG1-CD1 4.09Å; I216-M240 HydrophobicContact CG1-CE 4.41Å |
| 217 | A | 93.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 3% | 0.025 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.2 | -42.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L23 T41 A213 S214 L215 P337 | L23-A217 WeakPolarHBondContact CD2-O 3.49Å; T41-A217 HydrophobicContact CG2-CB 4.11Å; T41-A217 WeakPolarHBondContact OG1-CB 3.29Å; A213-A217 PolarHBondContact O-N 3.09Å; A213-A217 VanDerWaalsContact O-N 3.08Å; S214-A217 PolarHBondContact O-N 2.89Å; L215-A217 VanDerWaalsContact C-N 3.33Å; L215-A217 PolarHBondContact O-N 2.9Å; A217-P337 HydrophobicContact CB-CB 3.82Å; A217-P337 HydrophobicContact CB-CG 4.27Å |
| 218 | W | 95 | Very high | 94.9 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -119.9 | -17.3 | -161 | -61.8 | 119.2 | 0 | 0 | 0 | 114.9 | L23 F34 A38 S214 A221 F222 P337 S340 G341 Y350 W354 | L23-W218 HydrophobicContact CD2-CD2 4.41Å; L23-W218 HydrophobicContact CD2-CE3 3.52Å; L23-W218 HydrophobicContact CD2-CH2 3.96Å; L23-W218 HydrophobicContact CD2-CZ3 3.26Å; L23-W218 HydrophobicContact CG-CZ3 4.39Å; F34-W218 HydrophobicContact CB-CH2 3.8Å; F34-W218 HydrophobicContact CB-CZ2 4.4Å; F34-W218 AromaticContact CD1-CH2 3.63Å; F34-W218 HydrophobicContact CD1-CH2 3.63Å; F34-W218 AromaticContact CD1-CZ3 3.63Å; F34-W218 HydrophobicContact CD1-CZ3 3.63Å; F34-W218 HydrophobicContact CE1-CZ3 4.35Å; F34-W218 HydrophobicContact CG-CH2 4.21Å; F34-W218 WeakPolarHBondContact O-CH2 3.38Å; F34-W218 WeakPolarHBondContact O-CZ2 3.49Å; A38-W218 HydrophobicContact CB-CZ2 3.75Å; S214-W218 WeakPolarHBondContact O-CB 3.37Å; S214-W218 PolarHBondContact O-N 3.32Å; W218-A221 HydrophobicContact CE3-CB 4.15Å; W218-A221 PolarHBondContact O-N 2.96Å; W218-F222 VanDerWaalsContact O-CB 3.31Å; W218-F222 WeakPolarHBondContact O-CB 3.32Å; W218-F222 PolarHBondContact O-N 2.9Å; W218-P337 PolarHBondContact NE1-O 3.37Å; W218-S340 VanDerWaalsContact CD1-CB 3.43Å; W218-G341 VanDerWaalsContact CZ2-CA 3.45Å; W218-Y350 HydrophobicContact CB-CD1 4.03Å; W218-Y350 HydrophobicContact CB-CE1 3.79Å; W218-Y350 AromaticContact CD2-CE1 3.65Å; W218-Y350 HydrophobicContact CD2-CE1 3.65Å; W218-Y350 AromaticContact CE3-CE1 3.35Å; W218-Y350 HydrophobicContact CE3-CE1 3.35Å; W218-Y350 AromaticContact CE3-CZ 3.66Å; W218-Y350 HydrophobicContact CG-CD1 4.35Å; W218-Y350 AromaticContact CG-CE1 3.87Å; W218-Y350 HydrophobicContact CG-CE1 3.87Å; W218-Y350 HydrophobicContact CZ3-CE1 4.07Å; W218-Y350 WeakPolarHBondContact CZ3-OH 3.37Å; W218-W354 HydrophobicContact CB-CH2 4.41Å |
| 219 | L | 95.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | -179.2 | -174.7 | 67.6 | 0 | 0 | 0 | 112.2 | L215 F222 Y223 L237 M240 F278 W354 | L215-L219 HydrophobicContact CB-CB 4.46Å; L215-L219 HydrophobicContact CD2-CB 4.16Å; L215-L219 HydrophobicContact CD2-CD1 3.92Å; L215-L219 HydrophobicContact CD2-CD2 4.29Å; L215-L219 HydrophobicContact CD2-CG 4.36Å; L215-L219 WeakPolarHBondContact O-CA 3.46Å; L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 PolarHBondContact O-N 2.79Å; L219-F222 PolarHBondContact O-N 2.57Å; L219-Y223 HydrophobicContact CD1-CD2 4.01Å; L219-Y223 HydrophobicContact CD1-CE2 3.68Å; L219-Y223 HydrophobicContact CG-CD2 4.37Å; L219-Y223 HydrophobicContact CG-CE2 4.41Å; L219-Y223 WeakPolarHBondContact O-CD2 3.43Å; L219-Y223 PolarHBondContact O-N 3.29Å; L219-L237 HydrophobicContact CD2-CD1 4.48Å; L219-M240 HydrophobicContact CD2-SD 4.07Å; L219-F278 HydrophobicContact CD1-CD1 4.33Å; L219-F278 HydrophobicContact CD1-CE1 3.78Å; L219-F278 HydrophobicContact CD1-CE2 4.13Å; L219-F278 HydrophobicContact CD1-CZ 3.66Å; L219-F278 HydrophobicContact CD2-CZ 4.47Å; L219-W354 HydrophobicContact CD1-CZ2 4.44Å |
| 220 | P | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 177.3 | -21.7 | 35 | 0 | 0 | 0 | 112.5 | P21 F222 Y223 I224 S233 L237 | P21-P220 HydrophobicContact CB-CB 4.4Å; P21-P220 HydrophobicContact CG-CB 4.06Å; P21-P220 HydrophobicContact CG-CG 4.23Å; P220-F222 VanDerWaalsContact C-N 3.31Å; P220-F222 PolarHBondContact O-N 3.16Å; P220-Y223 PolarHBondContact O-N 2.7Å; P220-I224 VanDerWaalsContact O-CG1 3.25Å; P220-I224 WeakPolarHBondContact O-CG1 3.47Å; P220-I224 PolarHBondContact O-N 3.03Å; P220-S233 WeakPolarHBondContact O-CB 3.44Å; P220-L237 HydrophobicContact CG-CB 4.15Å; P220-L237 HydrophobicContact CG-CD2 3.82Å |
| 221 | A | 94.2 | Very high | 94.9 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L23 W218 I224 E225 Y350 | L23-A221 HydrophobicContact CD2-CB 4.17Å; W218-A221 HydrophobicContact CE3-CB 4.15Å; W218-A221 PolarHBondContact O-N 2.96Å; A221-I224 PolarHBondContact O-N 2.74Å; A221-E225 WeakPolarHBondContact O-CB 3.41Å; A221-E225 PolarHBondContact O-N 3.39Å; A221-Y350 WeakPolarHBondContact CB-OH 3.26Å |
| 222 | F | 95.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.5 | -49.6 | 173.9 | 168.6 | -115.3 | 0 | 0 | 0 | 111.9 | W218 L219 P220 E225 I226 P282 Y350 W354 | W218-F222 VanDerWaalsContact O-CB 3.31Å; W218-F222 WeakPolarHBondContact O-CB 3.32Å; W218-F222 PolarHBondContact O-N 2.9Å; L219-F222 PolarHBondContact O-N 2.57Å; P220-F222 VanDerWaalsContact C-N 3.31Å; P220-F222 PolarHBondContact O-N 3.16Å; F222-E225 PolarHBondContact O-N 2.98Å; F222-I226 HydrophobicContact CE1-CD1 4.17Å; F222-I226 HydrophobicContact CE2-CG2 4.27Å; F222-I226 HydrophobicContact CZ-CD1 4.13Å; F222-I226 PolarHBondContact O-N 3.34Å; F222-P282 HydrophobicContact CE1-CB 3.93Å; F222-P282 HydrophobicContact CZ-CB 3.62Å; F222-P282 HydrophobicContact CZ-CG 4.44Å; F222-Y350 HydrophobicContact CB-CD2 3.8Å; F222-Y350 HydrophobicContact CB-CE2 4.19Å; F222-Y350 HydrophobicContact CB-CG 4.09Å; F222-Y350 AromaticContact CD2-CD2 3.74Å; F222-Y350 HydrophobicContact CD2-CD2 3.74Å; F222-Y350 HydrophobicContact CD2-CG 4.06Å; F222-Y350 HydrophobicContact CG-CD2 4.26Å; F222-Y350 HydrophobicContact CG-CG 4.49Å; F222-W354 HydrophobicContact CB-CZ2 4.06Å; F222-W354 HydrophobicContact CD1-CZ2 4.22Å; F222-W354 AromaticContact CD1-NE1 3.9Å; F222-W354 AromaticContact CD2-NE1 3.82Å; F222-W354 AromaticContact CE1-NE1 3.92Å; F222-W354 AromaticContact CE2-NE1 3.82Å; F222-W354 HydrophobicContact CG-CZ2 4.11Å; F222-W354 AromaticContact CG-NE1 3.83Å; F222-W354 AromaticContact CZ-NE1 3.86Å |
| 223 | Y | 96.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68 | -35.5 | 179 | -84.3 | -81.1 | 0 | 0 | 0 | 112.5 | L219 P220 E225 I226 G227 A228 Y232 S233 L236 F278 P282 P286 | L219-Y223 HydrophobicContact CD1-CD2 4.01Å; L219-Y223 HydrophobicContact CD1-CE2 3.68Å; L219-Y223 HydrophobicContact CG-CD2 4.37Å; L219-Y223 HydrophobicContact CG-CE2 4.41Å; L219-Y223 WeakPolarHBondContact O-CD2 3.43Å; L219-Y223 PolarHBondContact O-N 3.29Å; P220-Y223 PolarHBondContact O-N 2.7Å; Y223-E225 VanDerWaalsContact C-N 3.34Å; Y223-I226 HydrophobicContact CD1-CD1 3.82Å; Y223-I226 HydrophobicContact CD1-CG1 4.39Å; Y223-I226 HydrophobicContact CE1-CD1 4.08Å; Y223-I226 HydrophobicContact CG-CD1 4.47Å; Y223-I226 WeakPolarHBondContact O-CG1 3.38Å; Y223-I226 PolarHBondContact O-N 2.83Å; Y223-G227 PolarHBondContact O-N 3.49Å; Y223-A228 WeakPolarHBondContact O-CA 3.4Å; Y223-A228 WeakPolarHBondContact O-CB 3.48Å; Y223-A228 PolarHBondContact O-N 3.44Å; Y223-Y232 HydrophobicContact CD1-CE1 4.32Å; Y223-S233 VanDerWaalsContact CB-OG 3.29Å; Y223-S233 WeakPolarHBondContact CB-OG 3.45Å; Y223-L236 HydrophobicContact CD1-CD1 3.69Å; Y223-L236 HydrophobicContact CD2-CD1 3.42Å; Y223-L236 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L236 HydrophobicContact CE1-CD1 3.75Å; Y223-L236 HydrophobicContact CE2-CD1 3.51Å; Y223-L236 HydrophobicContact CG-CD1 3.53Å; Y223-F278 HydrophobicContact CE2-CD1 4.33Å; Y223-F278 HydrophobicContact CE2-CE1 4.13Å; Y223-P282 VanDerWaalsContact CE1-O 3.31Å; Y223-P282 WeakPolarHBondContact CE1-O 3.44Å; Y223-P282 PolarHBondContact OH-O 3.29Å; Y223-P282 VanDerWaalsContact OH-O 3.1Å; Y223-P286 HydrophobicContact CE1-CB 3.5Å; Y223-P286 VanDerWaalsContact CE1-CB 3.5Å; Y223-P286 HydrophobicContact CE1-CG 4.38Å; Y223-P286 VanDerWaalsContact CZ-CB 3.47Å; Y223-P286 WeakPolarHBondContact OH-CA 3.34Å; Y223-P286 WeakPolarHBondContact OH-CB 3.48Å |
| 224 | I | 95.6 | Very high | 95.1 | Very high | 44 Ų | 44 | 26.2 Ų | 26.2 | 23% | 0.226 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 172.9 | -66.3 | 164.2 | 0 | 0 | 0 | 110.9 | P21 P24 P220 A221 I226 G227 A228 A230 | P21-I224 WeakPolarHBondContact O-CD1 3.47Å; P24-I224 HydrophobicContact CG-CD1 4.3Å; P24-I224 HydrophobicContact CG-CG2 4.19Å; P220-I224 VanDerWaalsContact O-CG1 3.25Å; P220-I224 WeakPolarHBondContact O-CG1 3.47Å; P220-I224 PolarHBondContact O-N 3.03Å; A221-I224 PolarHBondContact O-N 2.74Å; I224-I226 VanDerWaalsContact C-N 3.3Å; I224-I226 PolarHBondContact O-N 3.21Å; I224-G227 PolarHBondContact O-N 3.08Å; I224-A228 WeakPolarHBondContact CA-O 3.33Å; I224-A230 HydrophobicContact CD1-CB 4.25Å |
| 225 | E | 93.9 | Very high | 95.2 | Very high | 80 Ų | 80 | 28.2 Ų | 28.2 | 37% | 0.374 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.1 | -34.1 | -179.7 | -177.3 | 172.3 | 135.1 | 0 | 0 | 113.1 | A221 F222 Y223 G227 R344 Y350 | A221-E225 WeakPolarHBondContact O-CB 3.41Å; A221-E225 PolarHBondContact O-N 3.39Å; F222-E225 PolarHBondContact O-N 2.98Å; Y223-E225 VanDerWaalsContact C-N 3.34Å; E225-G227 VanDerWaalsContact C-N 3.26Å; E225-G227 PolarHBondContact O-N 3.24Å; E225-R344 IonicContact OE1-CZ 3.35Å; E225-R344 IonicContact OE1-NE 2.96Å; E225-R344 PolarHBondContact OE1-NE 3.4Å; E225-R344 IonicContact OE1-NH2 2.98Å; E225-R344 PolarHBondContact OE1-NH2 2.97Å; E225-R344 IonicContact OE2-CZ 3.98Å; E225-R344 VanDerWaalsContact OE2-CZ 3.24Å; E225-R344 IonicContact OE2-NE 2.79Å; E225-R344 PolarHBondContact OE2-NE 3.34Å; E225-R344 IonicContact OE2-NH2 3.03Å; E225-R344 PolarHBondContact OE2-NH2 3.49Å; E225-Y350 HydrophobicContact CB-CE2 4.42Å; E225-Y350 WeakPolarHBondContact OE2-CE2 3.39Å |
| 226 | I | 94.5 | Very high | 95.2 | Very high | 65 Ų | 65 | 28.3 Ų | 28.3 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12.4 | 175.2 | 68.3 | -176.2 | 0 | 0 | 0 | 113.2 | F222 Y223 I224 P282 M283 | F222-I226 HydrophobicContact CE1-CD1 4.17Å; F222-I226 HydrophobicContact CE2-CG2 4.27Å; F222-I226 HydrophobicContact CZ-CD1 4.13Å; F222-I226 PolarHBondContact O-N 3.34Å; Y223-I226 HydrophobicContact CD1-CD1 3.82Å; Y223-I226 HydrophobicContact CD1-CG1 4.39Å; Y223-I226 HydrophobicContact CE1-CD1 4.08Å; Y223-I226 HydrophobicContact CG-CD1 4.47Å; Y223-I226 WeakPolarHBondContact O-CG1 3.38Å; Y223-I226 PolarHBondContact O-N 2.83Å; I224-I226 VanDerWaalsContact C-N 3.3Å; I224-I226 PolarHBondContact O-N 3.21Å; I226-P282 HydrophobicContact CD1-CB 4.3Å; I226-M283 HydrophobicContact CD1-SD 3.57Å; I226-M283 VanDerWaalsContact CD1-SD 3.57Å; I226-M283 HydrophobicContact CG1-SD 4.02Å |
| 227 | G | 94.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 28.1 Ų | 28.1 | 71% | 0.711 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100.4 | 7.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y223 I224 E225 | Y223-G227 PolarHBondContact O-N 3.49Å; I224-G227 PolarHBondContact O-N 3.08Å; E225-G227 VanDerWaalsContact C-N 3.26Å; E225-G227 PolarHBondContact O-N 3.24Å |
| 228 | A | 95.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 28.7 Ų | 28.7 | 19% | 0.19 | 18% | 0.176 | C | C | . | . | trans | -78.3 | 157.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y223 I224 Y232 | Y223-A228 WeakPolarHBondContact O-CA 3.4Å; Y223-A228 WeakPolarHBondContact O-CB 3.48Å; Y223-A228 PolarHBondContact O-N 3.44Å; I224-A228 WeakPolarHBondContact CA-O 3.33Å; A228-Y232 HydrophobicContact CB-CD1 3.72Å; A228-Y232 HydrophobicContact CB-CE1 4.37Å | ||
| 229 | S | 95.7 | Very high | 95.5 | Very high | 71 Ų | 71 | 31.1 Ų | 31.1 | 50% | 0.497 | 19% | 0.189 | S | C | . | . | trans | -71.6 | 155.5 | 175.5 | 72.5 | 0 | 0 | 0 | 0 | 112 | Q231 Y232 S233 | S229-Q231 VanDerWaalsContact C-N 3.27Å; S229-Q231 PolarHBondContact O-N 3.03Å; S229-Y232 PolarHBondContact O-N 2.91Å; S229-Y232 VanDerWaalsContact OG-CB 3.31Å; S229-Y232 WeakPolarHBondContact OG-CB 3.4Å; S229-Y232 PolarHBondContact OG-N 3.09Å; S229-Y232 VanDerWaalsContact OG-N 3.15Å; S229-S233 WeakPolarHBondContact O-CB 3.46Å; S229-S233 PolarHBondContact O-N 3.22Å; S229-S233 PolarHBondContact O-OG 3.46Å | ||
| 230 | A | 94.4 | Very high | 95.5 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 26% | 0.256 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59 | -38.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P144 I224 S233 G234 | P144-A230 HydrophobicContact CB-CB 4.13Å; P144-A230 HydrophobicContact CG-CB 4.45Å; I224-A230 HydrophobicContact CD1-CB 4.25Å; A230-S233 PolarHBondContact O-N 3.33Å; A230-G234 PolarHBondContact O-N 2.83Å |
| 231 | Q | 96 | Very high | 95.4 | Very high | 53 Ų | 53 | 31.3 Ų | 31.3 | 25% | 0.248 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.6 | -46.8 | 176.9 | -175.7 | 59.8 | 50.2 | 0 | 0 | 111.8 | A141 P144 W145 S229 S233 G234 S235 | A141-Q231 PolarHBondContact O-NE2 3.2Å; A141-Q231 PolarHBondContact O-OE1 3.37Å; P144-Q231 HydrophobicContact CB-CB 4.33Å; W145-Q231 VanDerWaalsContact N-OE1 3.11Å; S229-Q231 VanDerWaalsContact C-N 3.27Å; S229-Q231 PolarHBondContact O-N 3.03Å; Q231-S233 VanDerWaalsContact C-N 3.34Å; Q231-S233 PolarHBondContact O-N 3.22Å; Q231-G234 PolarHBondContact O-N 2.88Å; Q231-S235 WeakPolarHBondContact O-CB 3.25Å; Q231-S235 PolarHBondContact O-N 3.37Å; Q231-S235 PolarHBondContact O-OG 3.45Å |
| 232 | Y | 96.4 | Very high | 95.3 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 37% | 0.365 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 178.2 | 179.9 | -99.8 | 0 | 0 | 0 | 111.4 | Y223 A228 S229 G234 S235 L236 P286 | Y223-Y232 HydrophobicContact CD1-CE1 4.32Å; A228-Y232 HydrophobicContact CB-CD1 3.72Å; A228-Y232 HydrophobicContact CB-CE1 4.37Å; S229-Y232 PolarHBondContact O-N 2.91Å; S229-Y232 VanDerWaalsContact OG-CB 3.31Å; S229-Y232 WeakPolarHBondContact OG-CB 3.4Å; S229-Y232 PolarHBondContact OG-N 3.09Å; S229-Y232 VanDerWaalsContact OG-N 3.15Å; Y232-G234 PolarHBondContact O-N 3.39Å; Y232-S235 WeakPolarHBondContact O-CB 3.21Å; Y232-S235 PolarHBondContact O-N 2.91Å; Y232-S235 VanDerWaalsContact O-N 3.16Å; Y232-L236 HydrophobicContact CD1-CD1 4.02Å; Y232-L236 HydrophobicContact CD1-CG 4.37Å; Y232-L236 HydrophobicContact CE1-CD1 3.55Å; Y232-L236 HydrophobicContact CE1-CD2 4.46Å; Y232-L236 HydrophobicContact CE1-CG 4.02Å; Y232-L236 PolarHBondContact O-N 3.46Å; Y232-P286 WeakPolarHBondContact OH-CG 2.92Å |
| 233 | S | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | -178.9 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | P220 Y223 S229 A230 Q231 L236 L237 | P220-S233 WeakPolarHBondContact O-CB 3.44Å; Y223-S233 VanDerWaalsContact CB-OG 3.29Å; Y223-S233 WeakPolarHBondContact CB-OG 3.45Å; S229-S233 WeakPolarHBondContact O-CB 3.46Å; S229-S233 PolarHBondContact O-N 3.22Å; S229-S233 PolarHBondContact O-OG 3.46Å; A230-S233 PolarHBondContact O-N 3.33Å; Q231-S233 VanDerWaalsContact C-N 3.34Å; Q231-S233 PolarHBondContact O-N 3.22Å; S233-L236 PolarHBondContact O-N 3.17Å; S233-L237 PolarHBondContact O-N 2.92Å |
| 234 | G | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A140 A230 Q231 Y232 L236 L237 A238 | A140-G234 WeakPolarHBondContact CB-O 3.5Å; A140-G234 VanDerWaalsContact O-CA 3.29Å; A140-G234 WeakPolarHBondContact O-CA 3.5Å; A230-G234 PolarHBondContact O-N 2.83Å; Q231-G234 PolarHBondContact O-N 2.88Å; Y232-G234 PolarHBondContact O-N 3.39Å; G234-L236 VanDerWaalsContact C-N 3.35Å; G234-L236 PolarHBondContact O-N 3.35Å; G234-L237 PolarHBondContact O-N 3.21Å; G234-A238 PolarHBondContact O-N 2.9Å |
| 235 | S | 95.9 | Very high | 94.9 | Very high | 41 Ų | 41 | 35.4 Ų | 35.4 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -35.7 | 175.4 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | Q231 Y232 L237 A238 L239 | Q231-S235 WeakPolarHBondContact O-CB 3.25Å; Q231-S235 PolarHBondContact O-N 3.37Å; Q231-S235 PolarHBondContact O-OG 3.45Å; Y232-S235 WeakPolarHBondContact O-CB 3.21Å; Y232-S235 PolarHBondContact O-N 2.91Å; Y232-S235 VanDerWaalsContact O-N 3.16Å; S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 3.48Å; S235-A238 WeakPolarHBondContact O-CB 3.38Å; S235-A238 PolarHBondContact O-N 3.4Å; S235-L239 WeakPolarHBondContact O-CG 3.42Å; S235-L239 PolarHBondContact O-N 3.16Å |
| 236 | L | 96.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 173.4 | -73.7 | 177.3 | 0 | 0 | 0 | 111.9 | Y223 Y232 S233 G234 A238 L239 M240 P286 V287 | Y223-L236 HydrophobicContact CD1-CD1 3.69Å; Y223-L236 HydrophobicContact CD2-CD1 3.42Å; Y223-L236 VanDerWaalsContact CD2-CD1 3.42Å; Y223-L236 HydrophobicContact CE1-CD1 3.75Å; Y223-L236 HydrophobicContact CE2-CD1 3.51Å; Y223-L236 HydrophobicContact CG-CD1 3.53Å; Y232-L236 HydrophobicContact CD1-CD1 4.02Å; Y232-L236 HydrophobicContact CD1-CG 4.37Å; Y232-L236 HydrophobicContact CE1-CD1 3.55Å; Y232-L236 HydrophobicContact CE1-CD2 4.46Å; Y232-L236 HydrophobicContact CE1-CG 4.02Å; Y232-L236 PolarHBondContact O-N 3.46Å; S233-L236 PolarHBondContact O-N 3.17Å; G234-L236 VanDerWaalsContact C-N 3.35Å; G234-L236 PolarHBondContact O-N 3.35Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 2.96Å; L236-L239 PolarHBondContact O-N 3.3Å; L236-M240 PolarHBondContact O-N 2.9Å; L236-P286 HydrophobicContact CD1-CB 4.12Å; L236-P286 HydrophobicContact CD2-CB 4.08Å; L236-V287 HydrophobicContact CD2-CB 4.45Å; L236-V287 HydrophobicContact CD2-CG2 3.74Å |
| 237 | L | 95 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.5 | -178.7 | 56.9 | 0 | 0 | 0 | 111.5 | T17 A140 I216 L219 P220 S233 G234 S235 M240 T241 | T17-L237 HydrophobicContact CG2-CD2 4.43Å; A140-L237 HydrophobicContact CB-CB 3.85Å; A140-L237 HydrophobicContact CB-CD2 3.65Å; A140-L237 HydrophobicContact CB-CG 3.81Å; I216-L237 HydrophobicContact CG1-CD1 4.09Å; L219-L237 HydrophobicContact CD2-CD1 4.48Å; P220-L237 HydrophobicContact CG-CB 4.15Å; P220-L237 HydrophobicContact CG-CD2 3.82Å; S233-L237 PolarHBondContact O-N 2.92Å; G234-L237 PolarHBondContact O-N 3.21Å; S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 3.48Å; L237-M240 HydrophobicContact CD1-CE 3.3Å; L237-M240 HydrophobicContact CD1-SD 4.2Å; L237-M240 WeakPolarHBondContact O-CB 3.24Å; L237-M240 PolarHBondContact O-N 2.89Å; L237-T241 WeakPolarHBondContact O-CG2 3.37Å; L237-T241 PolarHBondContact O-N 3.25Å |
| 238 | A | 95.3 | Very high | 94.3 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G137 A141 G234 S235 L236 M240 T241 L242 | G137-A238 WeakPolarHBondContact O-CB 3.44Å; A141-A238 HydrophobicContact CB-CB 3.98Å; G234-A238 PolarHBondContact O-N 2.9Å; S235-A238 WeakPolarHBondContact O-CB 3.38Å; S235-A238 PolarHBondContact O-N 3.4Å; L236-A238 VanDerWaalsContact C-N 3.33Å; L236-A238 PolarHBondContact O-N 2.96Å; A238-M240 VanDerWaalsContact C-N 3.31Å; A238-M240 PolarHBondContact O-N 3.27Å; A238-T241 PolarHBondContact O-N 3.23Å; A238-T241 PolarHBondContact O-OG1 2.9Å; A238-L242 PolarHBondContact O-N 2.77Å |
| 239 | L | 96.3 | Very high | 93.8 | Very high | 52 Ų | 52 | 31.6 Ų | 31.6 | 27% | 0.272 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -37.3 | 175.4 | -70.9 | 162.2 | 0 | 0 | 0 | 111.9 | S235 L236 T241 L242 G243 V287 M291 | S235-L239 WeakPolarHBondContact O-CG 3.42Å; S235-L239 PolarHBondContact O-N 3.16Å; L236-L239 PolarHBondContact O-N 3.3Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.95Å; L239-L242 HydrophobicContact CD2-CD1 4.22Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 3.41Å; L239-G243 PolarHBondContact O-N 3.01Å; L239-V287 HydrophobicContact CD1-CG1 3.97Å; L239-V287 HydrophobicContact CD1-CG2 4Å; L239-M291 HydrophobicContact CB-CG 4.28Å |
| 240 | M | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -42.6 | 170.6 | -175.9 | -172.8 | 86.9 | 0 | 0 | 111.6 | Y212 L215 I216 L219 L236 L237 A238 L242 G243 Q244 A290 G294 | Y212-M240 HydrophobicContact CD2-CE 4.32Å; L215-M240 HydrophobicContact CB-CE 3.9Å; L215-M240 HydrophobicContact CB-SD 3.68Å; L215-M240 HydrophobicContact CD1-SD 3.76Å; L215-M240 HydrophobicContact CD2-SD 4.44Å; L215-M240 HydrophobicContact CG-SD 4.18Å; I216-M240 HydrophobicContact CG1-CE 4.41Å; L219-M240 HydrophobicContact CD2-SD 4.07Å; L236-M240 PolarHBondContact O-N 2.9Å; L237-M240 HydrophobicContact CD1-CE 3.3Å; L237-M240 HydrophobicContact CD1-SD 4.2Å; L237-M240 WeakPolarHBondContact O-CB 3.24Å; L237-M240 PolarHBondContact O-N 2.89Å; A238-M240 VanDerWaalsContact C-N 3.31Å; A238-M240 PolarHBondContact O-N 3.27Å; M240-L242 VanDerWaalsContact C-N 3.32Å; M240-L242 PolarHBondContact O-N 2.96Å; M240-G243 PolarHBondContact O-N 2.96Å; M240-Q244 WeakPolarHBondContact O-CG 3.39Å; M240-Q244 PolarHBondContact O-N 3.18Å; M240-A290 WeakPolarHBondContact CA-O 3.47Å; M240-A290 HydrophobicContact CB-CB 4.18Å; M240-A290 WeakPolarHBondContact CG-O 3.49Å; M240-G294 WeakPolarHBondContact O-CA 3.47Å |
| 241 | T | 93 | Very high | 93.3 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.4 | -31.2 | 176.9 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | M133 G137 L237 A238 L239 Q244 A245 | M133-T241 WeakPolarHBondContact O-CB 3.28Å; M133-T241 PolarHBondContact O-OG1 3.09Å; G137-T241 WeakPolarHBondContact CA-OG1 3.19Å; L237-T241 WeakPolarHBondContact O-CG2 3.37Å; L237-T241 PolarHBondContact O-N 3.25Å; A238-T241 PolarHBondContact O-N 3.23Å; A238-T241 PolarHBondContact O-OG1 2.9Å; L239-T241 VanDerWaalsContact C-N 3.33Å; L239-T241 PolarHBondContact O-N 2.95Å; T241-Q244 WeakPolarHBondContact O-CB 3.26Å; T241-Q244 PolarHBondContact O-N 2.84Å; T241-A245 PolarHBondContact O-N 3.32Å |
| 242 | L | 93.2 | Very high | 92.6 | Very high | 111 Ų | 111 | 31.3 Ų | 31.3 | 58% | 0.581 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -65.8 | -43.8 | 170.8 | -70.1 | 173.7 | 0 | 0 | 0 | 111.2 | A238 L239 M240 Q244 A245 A246 | A238-L242 PolarHBondContact O-N 2.77Å; L239-L242 HydrophobicContact CD2-CD1 4.22Å; L239-L242 WeakPolarHBondContact O-CB 3.45Å; L239-L242 PolarHBondContact O-N 3.41Å; M240-L242 VanDerWaalsContact C-N 3.32Å; M240-L242 PolarHBondContact O-N 2.96Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 3.3Å; L242-A245 PolarHBondContact O-N 3.28Å; L242-A245 VanDerWaalsContact O-N 3.16Å; L242-A246 PolarHBondContact O-N 3.44Å |
| 243 | G | 95.1 | Very high | 92.1 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 8% | 0.082 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.3 | -45.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L239 M240 A245 A246 G247 G294 L295 | L239-G243 PolarHBondContact O-N 3.01Å; M240-G243 PolarHBondContact O-N 2.96Å; G243-A245 VanDerWaalsContact C-N 3.33Å; G243-A245 PolarHBondContact O-N 3.48Å; G243-A246 PolarHBondContact O-N 3.42Å; G243-G247 PolarHBondContact O-N 3.23Å; G243-G294 VanDerWaalsContact C-C 3.47Å; G243-L295 VanDerWaalsContact O-CA 3.24Å; G243-L295 WeakPolarHBondContact O-CA 3.27Å; G243-L295 PolarHBondContact O-N 2.87Å |
| 244 | Q | 93.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 175.6 | -71.5 | 174.9 | 41.3 | 0 | 0 | 112.7 | R13 M133 Y212 M240 T241 L242 G247 A248 G294 L297 G298 | R13-Q244 VanDerWaalsContact NH1-OE1 3.17Å; M133-Q244 HydrophobicContact CE-CB 3.79Å; M133-Q244 HydrophobicContact CG-CB 4.43Å; M133-Q244 HydrophobicContact SD-CB 3.69Å; Y212-Q244 VanDerWaalsContact CD2-NE2 3.33Å; M240-Q244 WeakPolarHBondContact O-CG 3.39Å; M240-Q244 PolarHBondContact O-N 3.18Å; T241-Q244 WeakPolarHBondContact O-CB 3.26Å; T241-Q244 PolarHBondContact O-N 2.84Å; L242-Q244 VanDerWaalsContact C-N 3.3Å; L242-Q244 PolarHBondContact O-N 3.3Å; Q244-G247 PolarHBondContact O-N 2.98Å; Q244-A248 WeakPolarHBondContact O-CB 3.31Å; Q244-A248 PolarHBondContact O-N 3Å; Q244-G294 WeakPolarHBondContact CA-O 2.95Å; Q244-G294 WeakPolarHBondContact CG-O 3.3Å; Q244-G294 PolarHBondContact N-O 3.43Å; Q244-L297 HydrophobicContact CG-CB 4.33Å; Q244-G298 WeakPolarHBondContact O-CA 3.49Å |
| 245 | A | 89.7 | Confident | 91.1 | Very high | 21 Ų | 21 | 36.3 Ų | 36.3 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111 | M133 T241 L242 G243 G247 A248 L249 | M133-A245 WeakPolarHBondContact SD-CA 3.35Å; M133-A245 HydrophobicContact SD-CB 3.76Å; M133-A245 PolarHBondContact SD-N 3.44Å; T241-A245 PolarHBondContact O-N 3.32Å; L242-A245 PolarHBondContact O-N 3.28Å; L242-A245 VanDerWaalsContact O-N 3.16Å; G243-A245 VanDerWaalsContact C-N 3.33Å; G243-A245 PolarHBondContact O-N 3.48Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.89Å; A245-A248 PolarHBondContact O-N 3.23Å; A245-L249 WeakPolarHBondContact O-CG 3.45Å; A245-L249 PolarHBondContact O-N 3.28Å |
| 246 | A | 92.7 | Very high | 90.2 | Very high | 38 Ų | 38 | 45 Ų | 45 | 31% | 0.314 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59 | -45.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L242 G243 A248 L249 L250 L295 | L242-A246 PolarHBondContact O-N 3.44Å; G243-A246 PolarHBondContact O-N 3.42Å; A246-A248 PolarHBondContact O-N 3.39Å; A246-L249 PolarHBondContact O-N 3.46Å; A246-L250 HydrophobicContact CB-CD1 4.31Å; A246-L250 VanDerWaalsContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 WeakPolarHBondContact O-CG 3.5Å; A246-L250 PolarHBondContact O-N 2.84Å; A246-L295 HydrophobicContact CB-CD1 3.79Å |
| 247 | G | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -43.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G243 Q244 A245 L249 L250 M251 L295 G299 | G243-G247 PolarHBondContact O-N 3.23Å; Q244-G247 PolarHBondContact O-N 2.98Å; A245-G247 VanDerWaalsContact C-N 3.34Å; A245-G247 PolarHBondContact O-N 2.89Å; G247-L249 PolarHBondContact O-N 2.84Å; G247-L250 PolarHBondContact O-N 3.03Å; G247-M251 VanDerWaalsContact O-CB 3.3Å; G247-M251 WeakPolarHBondContact O-CB 3.38Å; G247-M251 WeakPolarHBondContact O-CG 3.47Å; G247-M251 PolarHBondContact O-N 2.89Å; G247-L295 WeakPolarHBondContact CA-O 3.3Å; G247-G299 WeakPolarHBondContact O-CA 3.3Å |
| 248 | A | 86.8 | Confident | 88.1 | Confident | 19 Ų | 19 | 59.3 Ų | 59.3 | 16% | 0.157 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -25.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M133 Q244 A245 A246 P252 G298 P302 | M133-A248 HydrophobicContact CE-CB 3.92Å; Q244-A248 WeakPolarHBondContact O-CB 3.31Å; Q244-A248 PolarHBondContact O-N 3Å; A245-A248 PolarHBondContact O-N 3.23Å; A246-A248 PolarHBondContact O-N 3.39Å; A248-P252 WeakPolarHBondContact O-CD 3.45Å; A248-P252 VanDerWaalsContact O-CG 3.28Å; A248-P252 WeakPolarHBondContact O-CG 3.29Å; A248-G298 VanDerWaalsContact CA-O 3.23Å; A248-G298 WeakPolarHBondContact CA-O 3.34Å; A248-G298 WeakPolarHBondContact CB-O 3.29Å; A248-G298 PolarHBondContact N-O 3.24Å; A248-P302 HydrophobicContact CB-CG 4.45Å |
| 249 | L | 86.2 | Confident | 87.6 | Confident | 101 Ų | 101 | 60.9 Ų | 60.9 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -89.7 | -47.2 | 175.9 | -66 | 172.1 | 0 | 0 | 0 | 111.9 | A245 A246 G247 A253 | A245-L249 WeakPolarHBondContact O-CG 3.45Å; A245-L249 PolarHBondContact O-N 3.28Å; A246-L249 PolarHBondContact O-N 3.46Å; G247-L249 PolarHBondContact O-N 2.84Å; L249-A253 WeakPolarHBondContact O-CB 3.37Å; L249-A253 PolarHBondContact O-N 3.26Å |
| 250 | L | 90.8 | Very high | 87.1 | Confident | 99 Ų | 99 | 60 Ų | 60 | 52% | 0.518 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -71.1 | -44.1 | -173.6 | -67.1 | 172.1 | 0 | 0 | 0 | 112.4 | A246 G247 A253 M254 L295 | A246-L250 HydrophobicContact CB-CD1 4.31Å; A246-L250 VanDerWaalsContact O-CB 3.29Å; A246-L250 WeakPolarHBondContact O-CB 3.45Å; A246-L250 WeakPolarHBondContact O-CG 3.5Å; A246-L250 PolarHBondContact O-N 2.84Å; G247-L250 PolarHBondContact O-N 3.03Å; L250-A253 PolarHBondContact O-N 3.27Å; L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 2.94Å; L250-M254 VanDerWaalsContact O-N 3.1Å; L250-L295 HydrophobicContact CD1-CD1 4.37Å |
| 251 | M | 88.7 | Confident | 86.9 | Confident | 8 Ų | 8 | 63.4 Ų | 63.4 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -46.3 | -173.2 | -67.8 | -71.2 | -176.6 | 0 | 0 | 113 | G247 A253 M254 A255 L263 L266 A267 L270 L303 | G247-M251 VanDerWaalsContact O-CB 3.3Å; G247-M251 WeakPolarHBondContact O-CB 3.38Å; G247-M251 WeakPolarHBondContact O-CG 3.47Å; G247-M251 PolarHBondContact O-N 2.89Å; M251-A253 VanDerWaalsContact C-N 3.31Å; M251-A253 PolarHBondContact O-N 3.45Å; M251-M254 PolarHBondContact O-N 3.39Å; M251-A255 PolarHBondContact O-N 2.93Å; M251-L263 HydrophobicContact SD-CD2 4.35Å; M251-L266 HydrophobicContact CE-CD2 3.9Å; M251-L266 HydrophobicContact CE-CG 4.03Å; M251-L266 HydrophobicContact SD-CD2 4.11Å; M251-A267 HydrophobicContact CE-CB 4.5Å; M251-L270 HydrophobicContact CE-CD1 3.58Å; M251-L303 HydrophobicContact CB-CD1 4.02Å; M251-L303 HydrophobicContact CB-CG 4.23Å |
| 252 | P | 80.4 | Confident | 86.9 | Confident | 41 Ų | 41 | 71.3 Ų | 71.3 | 27% | 0.266 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.9 | -33.8 | 174 | -23.9 | 37.5 | 0 | 0 | 0 | 113 | A248 M254 A255 P302 L306 | A248-P252 WeakPolarHBondContact O-CD 3.45Å; A248-P252 VanDerWaalsContact O-CG 3.28Å; A248-P252 WeakPolarHBondContact O-CG 3.29Å; P252-M254 PolarHBondContact O-N 3.36Å; P252-A255 VanDerWaalsContact O-CB 3.26Å; P252-A255 WeakPolarHBondContact O-CB 3.33Å; P252-A255 PolarHBondContact O-N 3.26Å; P252-P302 HydrophobicContact CG-CB 3.67Å; P252-P302 HydrophobicContact CG-CG 3.48Å; P252-P302 VanDerWaalsContact CG-CG 3.48Å; P252-L306 HydrophobicContact CB-CD1 4.39Å |
| 253 | A | 85.4 | Confident | 86.9 | Confident | 75 Ų | 75 | 67.1 Ų | 67.1 | 62% | 0.62 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -64.4 | -30.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L249 L250 M251 A255 | L249-A253 WeakPolarHBondContact O-CB 3.37Å; L249-A253 PolarHBondContact O-N 3.26Å; L250-A253 PolarHBondContact O-N 3.27Å; M251-A253 VanDerWaalsContact C-N 3.31Å; M251-A253 PolarHBondContact O-N 3.45Å; A253-A255 VanDerWaalsContact C-N 3.33Å |
| 254 | M | 87.9 | Confident | 86.9 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 53% | 0.527 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -80.3 | -11.4 | 173.8 | -65 | 173.1 | 71 | 0 | 0 | 113.3 | L250 M251 P252 R256 L263 | L250-M254 WeakPolarHBondContact O-CG 3.25Å; L250-M254 PolarHBondContact O-N 2.94Å; L250-M254 VanDerWaalsContact O-N 3.1Å; M251-M254 PolarHBondContact O-N 3.39Å; P252-M254 PolarHBondContact O-N 3.36Å; M254-R256 PolarHBondContact O-N 3.34Å; M254-L263 HydrophobicContact CB-CD1 4.25Å; M254-L263 HydrophobicContact CB-CD2 3.91Å; M254-L263 HydrophobicContact CE-CD2 4.29Å |
| 255 | A | 82.8 | Confident | 87 | Confident | 17 Ų | 17 | 69.1 Ų | 69.1 | 14% | 0.14 | 35% | 0.348 | C | S | . | . | trans | -79.5 | 58.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113 | M251 P252 A253 R260 L263 L303 | M251-A255 PolarHBondContact O-N 2.93Å; P252-A255 VanDerWaalsContact O-CB 3.26Å; P252-A255 WeakPolarHBondContact O-CB 3.33Å; P252-A255 PolarHBondContact O-N 3.26Å; A253-A255 VanDerWaalsContact C-N 3.33Å; A255-R260 PolarHBondContact O-NH1 3.34Å; A255-L263 VanDerWaalsContact CA-CD1 3.44Å; A255-L263 HydrophobicContact CB-CD1 3.59Å; A255-L303 HydrophobicContact CB-CD2 4.26Å | ||
| 256 | R | 76.6 | Confident | 87.4 | Confident | 222 Ų | 222 | 71.6 Ų | 71.6 | 84% | 0.838 | 36% | 0.358 | S | S | * | . | trans | -74.5 | -25.5 | -179.4 | -63 | -176.7 | 179.5 | 179.2 | -0.9 | 113.9 | M254 | M254-R256 PolarHBondContact O-N 3.34Š| ||
| 257 | H | 76.1 | Confident | 87.6 | Confident | 151 Ų | 151 | 69.8 Ų | 69.8 | 70% | 0.699 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -102 | 150.4 | 179.4 | -58 | -70.2 | 0 | 0 | 0 | 111.4 | D259 R260 | H257-D259 PolarHBondContact O-N 3.12Å; H257-R260 PolarHBondContact O-NH1 2.96Å |
| 258 | Q | 71.1 | Confident | 87.8 | Confident | 153 Ų | 153 | 69.8 Ų | 69.8 | 72% | 0.715 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -61.4 | -28.4 | 175.9 | -68.4 | -177 | -1.1 | 0 | 0 | 112.6 | R260 | Q258-R260 PolarHBondContact O-N 3.03Å; Q258-R260 VanDerWaalsContact O-N 3.12Å; Q258-R260 PolarHBondContact O-NE 3.2Å |
| 259 | D | 84.9 | Confident | 88.4 | Confident | 48 Ų | 48 | 72 Ų | 72 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | trans | -77.5 | 100.5 | 177.2 | -167.5 | -9.9 | 0 | 0 | 0 | 111.5 | H257 R261 P373 | H257-D259 PolarHBondContact O-N 3.12Å; D259-R261 VanDerWaalsContact C-N 3.28Å; D259-R261 PolarHBondContact O-N 2.63Å; D259-R261 WeakPolarHBondContact OD1-CB 3.34Å; D259-R261 WeakPolarHBondContact OD1-CG 3.27Å; D259-R261 IonicContact OD1-CZ 3.91Å; D259-R261 PolarHBondContact OD1-N 3.26Å; D259-R261 IonicContact OD1-NE 2.94Å; D259-R261 PolarHBondContact OD1-NE 3.31Å; D259-R261 IonicContact OD2-CZ 3.31Å; D259-R261 VanDerWaalsContact OD2-CZ 3.31Å; D259-R261 IonicContact OD2-NE 3.09Å; D259-R261 PolarHBondContact OD2-NE 3Å; D259-R261 VanDerWaalsContact OD2-NE 3.09Å; D259-R261 IonicContact OD2-NH2 2.69Å; D259-R261 PolarHBondContact OD2-NH2 3.17Å; D259-P373 HydrophobicContact CB-CG 4.03Å | ||
| 260 | R | 86.3 | Confident | 88.9 | Confident | 32 Ų | 32 | 68.8 Ų | 68.8 | 12% | 0.121 | 34% | 0.338 | C | S | . | . | trans | -78.4 | -9.1 | -179.4 | -46.2 | -50.3 | -180 | 174 | 9.3 | 113.4 | A255 H257 Q258 K262 L263 L264 D310 | A255-R260 PolarHBondContact O-NH1 3.34Å; H257-R260 PolarHBondContact O-NH1 2.96Å; Q258-R260 PolarHBondContact O-N 3.03Å; Q258-R260 VanDerWaalsContact O-N 3.12Å; Q258-R260 PolarHBondContact O-NE 3.2Å; R260-K262 PolarHBondContact O-N 3.25Å; R260-L263 PolarHBondContact O-N 2.83Å; R260-L264 HydrophobicContact CB-CD1 4.22Å; R260-L264 WeakPolarHBondContact O-CG 3.35Å; R260-L264 PolarHBondContact O-N 2.86Å; R260-D310 IonicContact CZ-OD2 2.74Å; R260-D310 IonicContact NE-OD2 3.39Å; R260-D310 PolarHBondContact NE-OD2 3.33Å; R260-D310 IonicContact NH2-OD2 3.69Å; R260-D310 PolarHBondContact NH2-OD2 2.64Å | ||
| 261 | R | 91.6 | Very high | 89.3 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 27% | 0.272 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | -170.8 | -65.9 | 179.7 | -65.1 | 169.5 | 4.8 | 112.9 | D259 L263 L264 M265 T368 L369 F371 | D259-R261 VanDerWaalsContact C-N 3.28Å; D259-R261 PolarHBondContact O-N 2.63Å; D259-R261 WeakPolarHBondContact OD1-CB 3.34Å; D259-R261 WeakPolarHBondContact OD1-CG 3.27Å; D259-R261 IonicContact OD1-CZ 3.91Å; D259-R261 PolarHBondContact OD1-N 3.26Å; D259-R261 IonicContact OD1-NE 2.94Å; D259-R261 PolarHBondContact OD1-NE 3.31Å; D259-R261 IonicContact OD2-CZ 3.31Å; D259-R261 VanDerWaalsContact OD2-CZ 3.31Å; D259-R261 IonicContact OD2-NE 3.09Å; D259-R261 PolarHBondContact OD2-NE 3Å; D259-R261 VanDerWaalsContact OD2-NE 3.09Å; D259-R261 IonicContact OD2-NH2 2.69Å; D259-R261 PolarHBondContact OD2-NH2 3.17Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.48Å; R261-L264 PolarHBondContact O-N 2.93Å; R261-M265 WeakPolarHBondContact O-CB 3.29Å; R261-M265 VanDerWaalsContact O-CG 3.24Å; R261-M265 WeakPolarHBondContact O-CG 3.37Å; R261-M265 PolarHBondContact O-N 3.33Å; R261-T368 HydrophobicContact CB-CG2 4.13Å; R261-T368 WeakPolarHBondContact CD-O 3.38Å; R261-T368 HydrophobicContact CG-CG2 4.25Å; R261-T368 WeakPolarHBondContact CG-O 3.22Å; R261-L369 PolarHBondContact NH1-O 3.02Å; R261-F371 HydrophobicContact CG-CB 4.34Å |
| 262 | K | 93 | Very high | 89.7 | Confident | 171 Ų | 171 | 65.7 Ų | 65.7 | 74% | 0.743 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | -179.8 | -68.5 | -176.5 | 179.7 | -179.4 | 0 | 112.2 | R260 M265 L266 | R260-K262 PolarHBondContact O-N 3.25Å; K262-M265 PolarHBondContact O-N 3.18Å; K262-L266 PolarHBondContact O-N 3.36Å |
| 263 | L | 93.6 | Very high | 90.6 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 12% | 0.115 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.9 | -36.9 | 178.7 | -67.2 | 172 | 0 | 0 | 0 | 111.9 | M251 M254 A255 R260 R261 M265 L266 A267 L303 | M251-L263 HydrophobicContact SD-CD2 4.35Å; M254-L263 HydrophobicContact CB-CD1 4.25Å; M254-L263 HydrophobicContact CB-CD2 3.91Å; M254-L263 HydrophobicContact CE-CD2 4.29Å; A255-L263 VanDerWaalsContact CA-CD1 3.44Å; A255-L263 HydrophobicContact CB-CD1 3.59Å; R260-L263 PolarHBondContact O-N 2.83Å; R261-L263 VanDerWaalsContact C-N 3.34Å; R261-L263 PolarHBondContact O-N 3.48Å; L263-M265 VanDerWaalsContact C-N 3.35Å; L263-L266 PolarHBondContact O-N 2.64Å; L263-A267 WeakPolarHBondContact O-CB 3.23Å; L263-A267 PolarHBondContact O-N 3.29Å; L263-L303 HydrophobicContact CB-CD1 3.69Å; L263-L303 HydrophobicContact CB-CD2 4.14Å; L263-L303 HydrophobicContact CD1-CD2 4.21Å |
| 264 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62 | -43.2 | 171.6 | -74.9 | 169.7 | 0 | 0 | 0 | 111.4 | Y204 R260 R261 A267 L268 L303 L307 T368 | Y204-L264 HydrophobicContact CE1-CD2 4.47Å; R260-L264 HydrophobicContact CB-CD1 4.22Å; R260-L264 WeakPolarHBondContact O-CG 3.35Å; R260-L264 PolarHBondContact O-N 2.86Å; R261-L264 PolarHBondContact O-N 2.93Å; L264-A267 PolarHBondContact O-N 3.18Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.26Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.02Å; L264-L303 HydrophobicContact CD2-CB 3.55Å; L264-L303 HydrophobicContact CD2-CD1 4.09Å; L264-L303 HydrophobicContact CG-CB 4.15Å; L264-L303 HydrophobicContact CG-CD1 4.31Å; L264-L307 HydrophobicContact CD1-CD2 4.11Å; L264-T368 HydrophobicContact CB-CG2 3.74Å; L264-T368 HydrophobicContact CD1-CG2 4.26Å |
| 265 | M | 96.5 | Very high | 91.6 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 27% | 0.271 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.7 | -73.9 | -62.7 | -65.3 | 0 | 0 | 111.4 | R261 K262 L263 A267 L268 V269 M365 T368 | R261-M265 WeakPolarHBondContact O-CB 3.29Å; R261-M265 VanDerWaalsContact O-CG 3.24Å; R261-M265 WeakPolarHBondContact O-CG 3.37Å; R261-M265 PolarHBondContact O-N 3.33Å; K262-M265 PolarHBondContact O-N 3.18Å; L263-M265 VanDerWaalsContact C-N 3.35Å; M265-A267 VanDerWaalsContact C-N 3.35Å; M265-A267 PolarHBondContact O-N 3.43Å; M265-L268 PolarHBondContact O-N 3.44Å; M265-V269 WeakPolarHBondContact O-CB 3.48Å; M265-V269 VanDerWaalsContact O-CG2 3.28Å; M265-V269 WeakPolarHBondContact O-CG2 3.22Å; M265-V269 PolarHBondContact O-N 3.2Å; M265-M365 HydrophobicContact CE-CB 3.94Å; M265-M365 HydrophobicContact CE-CG 3.96Å; M265-M365 HydrophobicContact CE-SD 4.26Å; M265-M365 HydrophobicContact SD-CB 3.88Å; M265-M365 HydrophobicContact SD-CG 4.01Å; M265-T368 HydrophobicContact CG-CG2 4.11Å; M265-T368 HydrophobicContact SD-CG2 4.17Å |
| 266 | L | 96.7 | Very high | 92.3 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 38% | 0.382 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 174.4 | 179.5 | 63.4 | 0 | 0 | 0 | 111.5 | M251 K262 L263 L268 V269 L270 | M251-L266 HydrophobicContact CE-CD2 3.9Å; M251-L266 HydrophobicContact CE-CG 4.03Å; M251-L266 HydrophobicContact SD-CD2 4.11Å; K262-L266 PolarHBondContact O-N 3.36Å; L263-L266 PolarHBondContact O-N 2.64Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.37Å; L266-V269 PolarHBondContact O-N 2.9Å; L266-L270 HydrophobicContact CG-CD1 4.31Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.43Å |
| 267 | A | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -41.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M251 L263 L264 M265 L270 Q271 G296 A300 | M251-A267 HydrophobicContact CE-CB 4.5Å; L263-A267 WeakPolarHBondContact O-CB 3.23Å; L263-A267 PolarHBondContact O-N 3.29Å; L264-A267 PolarHBondContact O-N 3.18Å; M265-A267 VanDerWaalsContact C-N 3.35Å; M265-A267 PolarHBondContact O-N 3.43Å; A267-L270 PolarHBondContact O-N 3.39Å; A267-Q271 WeakPolarHBondContact O-CG 3.08Å; A267-Q271 PolarHBondContact O-N 2.89Å; A267-Q271 VanDerWaalsContact O-N 3.08Å; A267-G296 VanDerWaalsContact O-CA 3.24Å; A267-G296 WeakPolarHBondContact O-CA 3.42Å; A267-A300 HydrophobicContact CB-CB 4.04Å |
| 268 | L | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 175.5 | -69.9 | 170.1 | 0 | 0 | 0 | 112.2 | I208 L264 M265 L266 L270 Q271 L272 V361 L364 M365 T368 | I208-L268 HydrophobicContact CD1-CD2 4.45Å; I208-L268 HydrophobicContact CG1-CD2 4.22Å; L264-L268 WeakPolarHBondContact O-CB 3.46Å; L264-L268 VanDerWaalsContact O-CG 3.26Å; L264-L268 WeakPolarHBondContact O-CG 3.36Å; L264-L268 PolarHBondContact O-N 3.02Å; M265-L268 PolarHBondContact O-N 3.44Å; L266-L268 VanDerWaalsContact C-N 3.33Å; L266-L268 PolarHBondContact O-N 3.37Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3Å; L268-Q271 WeakPolarHBondContact O-CB 3.49Å; L268-Q271 PolarHBondContact O-N 3.1Å; L268-L272 WeakPolarHBondContact O-CB 3.31Å; L268-L272 PolarHBondContact O-N 2.96Å; L268-V361 HydrophobicContact CB-CG1 4.13Å; L268-V361 HydrophobicContact CD2-CG1 4.2Å; L268-V361 WeakPolarHBondContact O-CG1 3.35Å; L268-L364 HydrophobicContact CD1-CB 4.11Å; L268-L364 HydrophobicContact CD2-CB 3.85Å; L268-L364 HydrophobicContact CD2-CD1 4.12Å; L268-M365 VanDerWaalsContact C-CE 3.44Å; L268-M365 HydrophobicContact CB-CE 3.78Å; L268-M365 HydrophobicContact CB-CG 3.85Å; L268-M365 HydrophobicContact CD1-CB 4.45Å; L268-M365 HydrophobicContact CD1-CG 3.86Å; L268-M365 HydrophobicContact CG-CG 4.47Å; L268-T368 VanDerWaalsContact CD1-OG1 3.26Å; L268-T368 WeakPolarHBondContact CD1-OG1 3.49Å |
| 269 | V | 98.1 | Very high | 95.5 | Very high | 65 Ų | 65 | 35.3 Ų | 35.3 | 39% | 0.394 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175 | 167.7 | 0 | 0 | 0 | 0 | 110.4 | M265 L266 Q271 L272 V273 M365 | M265-V269 WeakPolarHBondContact O-CB 3.48Å; M265-V269 VanDerWaalsContact O-CG2 3.28Å; M265-V269 WeakPolarHBondContact O-CG2 3.22Å; M265-V269 PolarHBondContact O-N 3.2Å; L266-V269 PolarHBondContact O-N 2.9Å; V269-Q271 VanDerWaalsContact C-N 3.33Å; V269-Q271 PolarHBondContact O-N 2.89Å; V269-L272 PolarHBondContact O-N 3.22Å; V269-V273 HydrophobicContact CG1-CG2 4.34Å; V269-V273 VanDerWaalsContact O-CG2 3.3Å; V269-V273 WeakPolarHBondContact O-CG2 3.39Å; V269-V273 PolarHBondContact O-N 3.2Å; V269-M365 HydrophobicContact CB-CE 4.27Å; V269-M365 HydrophobicContact CG2-CE 3.65Å |
| 270 | L | 98.1 | Very high | 96 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | 175.2 | -67.6 | 167.3 | 0 | 0 | 0 | 111.7 | M251 L266 A267 L268 V273 G274 V292 L295 | M251-L270 HydrophobicContact CE-CD1 3.58Å; L266-L270 HydrophobicContact CG-CD1 4.31Å; L266-L270 VanDerWaalsContact O-CG 3.29Å; L266-L270 WeakPolarHBondContact O-CG 3.5Å; L266-L270 PolarHBondContact O-N 3.43Å; A267-L270 PolarHBondContact O-N 3.39Å; L268-L270 VanDerWaalsContact C-N 3.34Å; L268-L270 PolarHBondContact O-N 3Å; L270-V273 PolarHBondContact O-N 3.12Å; L270-G274 PolarHBondContact O-N 3.18Å; L270-V292 HydrophobicContact CB-CG1 4.21Å; L270-V292 HydrophobicContact CD2-CG1 3.93Å; L270-V292 WeakPolarHBondContact O-CG1 3.48Å; L270-L295 HydrophobicContact CD1-CD2 3.78Å; L270-L295 HydrophobicContact CD1-CG 4.1Å; L270-L295 HydrophobicContact CD2-CD2 4.41Å |
| 271 | Q | 98 | Very high | 96.5 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 174.1 | -70.2 | 176.9 | 45.5 | 0 | 0 | 112 | A267 L268 V269 G274 F275 G296 L297 V361 | A267-Q271 WeakPolarHBondContact O-CG 3.08Å; A267-Q271 PolarHBondContact O-N 2.89Å; A267-Q271 VanDerWaalsContact O-N 3.08Å; L268-Q271 WeakPolarHBondContact O-CB 3.49Å; L268-Q271 PolarHBondContact O-N 3.1Å; V269-Q271 VanDerWaalsContact C-N 3.33Å; V269-Q271 PolarHBondContact O-N 2.89Å; Q271-G274 PolarHBondContact O-N 2.71Å; Q271-G274 VanDerWaalsContact O-N 3.16Å; Q271-F275 HydrophobicContact CB-CE2 4.46Å; Q271-F275 WeakPolarHBondContact O-CD2 3.45Å; Q271-F275 PolarHBondContact O-N 3.46Å; Q271-G296 PolarHBondContact NE2-O 3.33Å; Q271-G296 VanDerWaalsContact NE2-O 3.11Å; Q271-L297 HydrophobicContact CG-CD2 4.13Å; Q271-L297 HydrophobicContact CG-CG 3.96Å; Q271-V361 HydrophobicContact CB-CG1 4.38Å; Q271-V361 HydrophobicContact CB-CG2 4.04Å |
| 272 | L | 98.2 | Very high | 96.6 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.7 | -48 | 179 | -173.7 | 60.9 | 0 | 0 | 0 | 110.9 | L268 V269 G274 F275 C276 A358 V361 V362 M365 | L268-L272 WeakPolarHBondContact O-CB 3.31Å; L268-L272 PolarHBondContact O-N 2.96Å; V269-L272 PolarHBondContact O-N 3.22Å; L272-G274 VanDerWaalsContact C-N 3.28Å; L272-G274 PolarHBondContact O-N 2.81Å; L272-F275 PolarHBondContact O-N 3.49Å; L272-C276 VanDerWaalsContact O-CB 3.22Å; L272-C276 WeakPolarHBondContact O-CB 3.24Å; L272-C276 PolarHBondContact O-N 2.95Å; L272-C276 PolarHBondContact O-SG 3.42Å; L272-A358 HydrophobicContact CD1-CB 3.9Å; L272-V361 HydrophobicContact CB-CG1 3.81Å; L272-V361 HydrophobicContact CD1-CG1 4.42Å; L272-V362 HydrophobicContact CD1-CG2 4.1Å; L272-V362 HydrophobicContact CD2-CG2 4.25Å; L272-M365 HydrophobicContact CB-CE 4.14Å; L272-M365 HydrophobicContact CD2-CE 3.9Å |
| 273 | V | 98.1 | Very high | 96.5 | Very high | 63 Ų | 63 | 39.2 Ų | 39.2 | 38% | 0.382 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -57.8 | -42.3 | 175.3 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | V269 L270 G277 W289 V292 | V269-V273 HydrophobicContact CG1-CG2 4.34Å; V269-V273 VanDerWaalsContact O-CG2 3.3Å; V269-V273 WeakPolarHBondContact O-CG2 3.39Å; V269-V273 PolarHBondContact O-N 3.2Å; L270-V273 PolarHBondContact O-N 3.12Å; V273-G277 PolarHBondContact O-N 3.45Å; V273-W289 HydrophobicContact CG1-CE3 4.44Å; V273-W289 HydrophobicContact CG1-CZ3 4.08Å; V273-V292 HydrophobicContact CB-CG1 4.23Å; V273-V292 HydrophobicContact CG1-CG1 4.03Å |
| 274 | G | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.2 | -51.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L270 Q271 L272 G277 F278 | L270-G274 PolarHBondContact O-N 3.18Å; Q271-G274 PolarHBondContact O-N 2.71Å; Q271-G274 VanDerWaalsContact O-N 3.16Å; L272-G274 VanDerWaalsContact C-N 3.28Å; L272-G274 PolarHBondContact O-N 2.81Å; G274-G277 PolarHBondContact O-N 3.42Å; G274-F278 VanDerWaalsContact O-CD2 3.24Å; G274-F278 WeakPolarHBondContact O-CD2 3.38Å; G274-F278 PolarHBondContact O-N 2.87Å |
| 275 | F | 97.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.5 | -73.3 | -62.5 | 0 | 0 | 0 | 112.2 | L215 Q271 L272 G277 F278 I279 W354 H357 A358 V361 | L215-F275 HydrophobicContact CD1-CE1 3.99Å; L215-F275 HydrophobicContact CD1-CZ 3.89Å; L215-F275 HydrophobicContact CD2-CE1 4.23Å; L215-F275 HydrophobicContact CG-CE1 4.09Å; L215-F275 HydrophobicContact CG-CZ 4.37Å; Q271-F275 HydrophobicContact CB-CE2 4.46Å; Q271-F275 WeakPolarHBondContact O-CD2 3.45Å; Q271-F275 PolarHBondContact O-N 3.46Å; L272-F275 PolarHBondContact O-N 3.49Å; F275-G277 VanDerWaalsContact C-N 3.29Å; F275-G277 PolarHBondContact O-N 3.1Å; F275-F278 HydrophobicContact CD1-CD2 4.42Å; F275-F278 PolarHBondContact O-N 2.92Å; F275-F278 VanDerWaalsContact O-N 3.16Å; F275-I279 VanDerWaalsContact O-CG1 3.26Å; F275-I279 WeakPolarHBondContact O-CG1 3.42Å; F275-I279 PolarHBondContact O-N 3.13Å; F275-W354 AromaticContact CD1-CE3 3.81Å; F275-W354 HydrophobicContact CD1-CE3 3.81Å; F275-W354 AromaticContact CE1-CE3 3.74Å; F275-W354 HydrophobicContact CE1-CE3 3.74Å; F275-W354 HydrophobicContact CE1-CZ3 4.06Å; F275-H357 HydrophobicContact CD1-CB 3.91Å; F275-H357 HydrophobicContact CD2-CB 4.15Å; F275-H357 HydrophobicContact CE1-CB 3.61Å; F275-H357 HydrophobicContact CE2-CB 3.87Å; F275-H357 HydrophobicContact CG-CB 4.19Å; F275-H357 HydrophobicContact CZ-CB 3.6Å; F275-A358 HydrophobicContact CB-CB 4.14Å; F275-V361 HydrophobicContact CD2-CG2 4.24Å; F275-V361 HydrophobicContact CE2-CG2 4.2Å |
| 276 | C | 97.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 46.2 Ų | 46.2 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -39.7 | 173.8 | -76.6 | 0 | 0 | 0 | 0 | 112.2 | L272 I279 W280 | L272-C276 VanDerWaalsContact O-CB 3.22Å; L272-C276 WeakPolarHBondContact O-CB 3.24Å; L272-C276 PolarHBondContact O-N 2.95Å; L272-C276 PolarHBondContact O-SG 3.42Å; C276-I279 PolarHBondContact O-N 2.83Å; C276-W280 HydrophobicContact CB-CE3 3.67Å; C276-W280 HydrophobicContact CB-CH2 4.15Å; C276-W280 HydrophobicContact CB-CZ3 3.38Å; C276-W280 PolarHBondContact O-N 3.07Å; C276-W280 WeakPolarHBondContact SG-CZ3 3.35Å |
| 277 | G | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V273 G274 F275 I279 L281 | V273-G277 PolarHBondContact O-N 3.45Å; G274-G277 PolarHBondContact O-N 3.42Å; F275-G277 VanDerWaalsContact C-N 3.29Å; F275-G277 PolarHBondContact O-N 3.1Å; G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 3.11Å; G277-L281 CarbonylContact O-C 3.55Å; G277-L281 WeakPolarHBondContact O-CA 3.42Å; G277-L281 PolarHBondContact O-N 3.27Å |
| 278 | F | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -26.3 | 175 | -62.2 | -45.8 | 0 | 0 | 0 | 114 | L215 L219 Y223 G274 F275 W289 A290 C293 W354 | L215-F278 HydrophobicContact CD2-CD2 4.19Å; L215-F278 HydrophobicContact CD2-CE2 3.63Å; L215-F278 HydrophobicContact CD2-CZ 4.34Å; L219-F278 HydrophobicContact CD1-CD1 4.33Å; L219-F278 HydrophobicContact CD1-CE1 3.78Å; L219-F278 HydrophobicContact CD1-CE2 4.13Å; L219-F278 HydrophobicContact CD1-CZ 3.66Å; L219-F278 HydrophobicContact CD2-CZ 4.47Å; Y223-F278 HydrophobicContact CE2-CD1 4.33Å; Y223-F278 HydrophobicContact CE2-CE1 4.13Å; G274-F278 VanDerWaalsContact O-CD2 3.24Å; G274-F278 WeakPolarHBondContact O-CD2 3.38Å; G274-F278 PolarHBondContact O-N 2.87Å; F275-F278 HydrophobicContact CD1-CD2 4.42Å; F275-F278 PolarHBondContact O-N 2.92Å; F275-F278 VanDerWaalsContact O-N 3.16Å; F278-W289 HydrophobicContact CD1-CB 3.87Å; F278-W289 HydrophobicContact CE1-CB 3.53Å; F278-W289 HydrophobicContact CZ-CB 3.91Å; F278-A290 HydrophobicContact CZ-CB 4.42Å; F278-C293 HydrophobicContact CE2-CB 4.37Å; F278-W354 HydrophobicContact CB-CD2 4.47Å; F278-W354 HydrophobicContact CB-CG 4.18Å |
| 279 | I | 96.4 | Very high | 96.5 | Very high | 38 Ų | 38 | 49.9 Ų | 49.9 | 20% | 0.195 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -80.1 | -51.5 | 178.6 | -65.5 | 162.1 | 0 | 0 | 0 | 111.2 | F275 C276 G277 W354 A355 A358 | F275-I279 VanDerWaalsContact O-CG1 3.26Å; F275-I279 WeakPolarHBondContact O-CG1 3.42Å; F275-I279 PolarHBondContact O-N 3.13Å; C276-I279 PolarHBondContact O-N 2.83Å; G277-I279 VanDerWaalsContact C-N 3.26Å; G277-I279 PolarHBondContact O-N 3.11Å; I279-W354 HydrophobicContact CD1-CB 4.02Å; I279-W354 HydrophobicContact CG1-CB 3.53Å; I279-A355 HydrophobicContact CD1-CB 4.38Å; I279-A358 HydrophobicContact CD1-CB 4.39Å |
| 280 | W | 96.1 | Very high | 96.4 | Very high | 183 Ų | 183 | 46.8 Ų | 46.8 | 69% | 0.693 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -97.4 | -29.5 | -168.8 | -62.3 | -46.5 | 0 | 0 | 0 | 114 | C276 P282 | C276-W280 HydrophobicContact CB-CE3 3.67Å; C276-W280 HydrophobicContact CB-CH2 4.15Å; C276-W280 HydrophobicContact CB-CZ3 3.38Å; C276-W280 PolarHBondContact O-N 3.07Å; C276-W280 WeakPolarHBondContact SG-CZ3 3.35Å; W280-P282 VanDerWaalsContact C-CD 3.45Å |
| 281 | L | 95.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 48.7 Ų | 48.7 | 40% | 0.398 | 24% | 0.244 | S | C | . | . | trans | -133.9 | 48.3 | -172.1 | -67.1 | 175.7 | 0 | 0 | 0 | 112.1 | G277 M283 Q284 W289 | G277-L281 CarbonylContact O-C 3.55Å; G277-L281 WeakPolarHBondContact O-CA 3.42Å; G277-L281 PolarHBondContact O-N 3.27Å; L281-M283 VanDerWaalsContact C-N 3.26Å; L281-M283 PolarHBondContact O-N 3.48Å; L281-Q284 VanDerWaalsContact C-OE1 3.31Å; L281-Q284 HydrophobicContact CB-CB 4.19Å; L281-Q284 HydrophobicContact CD2-CB 4.31Å; L281-Q284 HydrophobicContact CD2-CG 4.24Å; L281-Q284 PolarHBondContact O-N 3.02Å; L281-W289 HydrophobicContact CB-CZ2 4.05Å; L281-W289 HydrophobicContact CD1-CZ2 3.99Å; L281-W289 PolarHBondContact O-NE1 3.31Å | ||
| 282 | P | 93.7 | Very high | 96.4 | Very high | 28 Ų | 28 | 49.9 Ų | 49.9 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -64.2 | -30 | -172.2 | 25.7 | -34.7 | 0 | 0 | 0 | 113.5 | F222 Y223 I226 W280 | F222-P282 HydrophobicContact CE1-CB 3.93Å; F222-P282 HydrophobicContact CZ-CB 3.62Å; F222-P282 HydrophobicContact CZ-CG 4.44Å; Y223-P282 VanDerWaalsContact CE1-O 3.31Å; Y223-P282 WeakPolarHBondContact CE1-O 3.44Å; Y223-P282 PolarHBondContact OH-O 3.29Å; Y223-P282 VanDerWaalsContact OH-O 3.1Å; I226-P282 HydrophobicContact CD1-CB 4.3Å; W280-P282 VanDerWaalsContact C-CD 3.45Å |
| 283 | M | 92.6 | Very high | 96.3 | Very high | 118 Ų | 118 | 48 Ų | 48 | 58% | 0.581 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -91.2 | -18.9 | 178.9 | -63.8 | -58.7 | -77.7 | 0 | 0 | 112.6 | I226 L281 | I226-M283 HydrophobicContact CD1-SD 3.57Å; I226-M283 VanDerWaalsContact CD1-SD 3.57Å; I226-M283 HydrophobicContact CG1-SD 4.02Å; L281-M283 VanDerWaalsContact C-N 3.26Å; L281-M283 PolarHBondContact O-N 3.48Å |
| 284 | Q | 91.3 | Very high | 96.2 | Very high | 100 Ų | 100 | 45 Ų | 45 | 47% | 0.467 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -96.5 | 112.8 | 180 | -57.4 | 78.4 | 9.1 | 0 | 0 | 109.5 | L281 W289 | L281-Q284 VanDerWaalsContact C-OE1 3.31Å; L281-Q284 HydrophobicContact CB-CB 4.19Å; L281-Q284 HydrophobicContact CD2-CB 4.31Å; L281-Q284 HydrophobicContact CD2-CG 4.24Å; L281-Q284 PolarHBondContact O-N 3.02Å; Q284-W289 PolarHBondContact O-NE1 3.04Å |
| 285 | L | 94.6 | Very high | 96.1 | Very high | 112 Ų | 112 | 47.1 Ų | 47.1 | 59% | 0.586 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 60.9 | 45.3 | 179.3 | -50.1 | 172.3 | 0 | 0 | 0 | 115.4 | V287 L288 W289 | L285-V287 PolarHBondContact O-N 3.21Å; L285-V287 VanDerWaalsContact O-N 3.13Å; L285-L288 HydrophobicContact CB-CB 3.85Å; L285-L288 HydrophobicContact CB-CD2 4.3Å; L285-L288 HydrophobicContact CD1-CD2 3.94Å; L285-L288 WeakPolarHBondContact O-CA 3.5Å; L285-L288 VanDerWaalsContact O-CB 3.3Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.27Å; L285-W289 HydrophobicContact CB-CZ2 4.44Å; L285-W289 PolarHBondContact O-N 3.41Å |
| 286 | P | 96.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -34.7 | 179.5 | 25.3 | -37.6 | 0 | 0 | 0 | 113.6 | Y223 Y232 L236 L288 W289 A290 | Y223-P286 HydrophobicContact CE1-CB 3.5Å; Y223-P286 VanDerWaalsContact CE1-CB 3.5Å; Y223-P286 HydrophobicContact CE1-CG 4.38Å; Y223-P286 VanDerWaalsContact CZ-CB 3.47Å; Y223-P286 WeakPolarHBondContact OH-CA 3.34Å; Y223-P286 WeakPolarHBondContact OH-CB 3.48Å; Y232-P286 WeakPolarHBondContact OH-CG 2.92Å; L236-P286 HydrophobicContact CD1-CB 4.12Å; L236-P286 HydrophobicContact CD2-CB 4.08Å; P286-L288 VanDerWaalsContact C-N 3.34Å; P286-L288 PolarHBondContact O-N 3.25Å; P286-W289 PolarHBondContact O-N 2.94Å; P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.33Å |
| 287 | V | 97.2 | Very high | 96 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 32% | 0.315 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.3 | -40.2 | 174.7 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | L236 L239 L285 M291 | L236-V287 HydrophobicContact CD2-CB 4.45Å; L236-V287 HydrophobicContact CD2-CG2 3.74Å; L239-V287 HydrophobicContact CD1-CG1 3.97Å; L239-V287 HydrophobicContact CD1-CG2 4Å; L285-V287 PolarHBondContact O-N 3.21Å; L285-V287 VanDerWaalsContact O-N 3.13Å; V287-M291 HydrophobicContact CG1-CE 3.81Å; V287-M291 HydrophobicContact CG1-CG 4.46Å; V287-M291 HydrophobicContact CG1-SD 4.21Å; V287-M291 WeakPolarHBondContact O-CB 3.44Å; V287-M291 WeakPolarHBondContact O-CG 3.49Å; V287-M291 PolarHBondContact O-N 3.23Å |
| 288 | L | 97.7 | Very high | 95.7 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -64.7 | -48.2 | 178.3 | 179.5 | 66 | 0 | 0 | 0 | 110.3 | L285 P286 A290 M291 V292 | L285-L288 HydrophobicContact CB-CB 3.85Å; L285-L288 HydrophobicContact CB-CD2 4.3Å; L285-L288 HydrophobicContact CD1-CD2 3.94Å; L285-L288 WeakPolarHBondContact O-CA 3.5Å; L285-L288 VanDerWaalsContact O-CB 3.3Å; L285-L288 WeakPolarHBondContact O-CB 3.45Å; L285-L288 PolarHBondContact O-N 3.27Å; P286-L288 VanDerWaalsContact C-N 3.34Å; P286-L288 PolarHBondContact O-N 3.25Å; L288-A290 VanDerWaalsContact C-N 3.35Å; L288-A290 PolarHBondContact O-N 2.93Å; L288-M291 PolarHBondContact O-N 3.31Å; L288-V292 HydrophobicContact CD1-CG2 3.75Å; L288-V292 HydrophobicContact CG-CG2 4.16Å; L288-V292 VanDerWaalsContact O-CB 3.27Å; L288-V292 WeakPolarHBondContact O-CB 3.05Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 3.43Å |
| 289 | W | 97.6 | Very high | 95.4 | Very high | 29 Ų | 29 | 46.1 Ų | 46.1 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 179.7 | -49.2 | 139 | 0 | 0 | 0 | 111.9 | V273 F278 L281 Q284 L285 P286 C293 | V273-W289 HydrophobicContact CG1-CE3 4.44Å; V273-W289 HydrophobicContact CG1-CZ3 4.08Å; F278-W289 HydrophobicContact CD1-CB 3.87Å; F278-W289 HydrophobicContact CE1-CB 3.53Å; F278-W289 HydrophobicContact CZ-CB 3.91Å; L281-W289 HydrophobicContact CB-CZ2 4.05Å; L281-W289 HydrophobicContact CD1-CZ2 3.99Å; L281-W289 PolarHBondContact O-NE1 3.31Å; Q284-W289 PolarHBondContact O-NE1 3.04Å; L285-W289 HydrophobicContact CB-CZ2 4.44Å; L285-W289 PolarHBondContact O-N 3.41Å; P286-W289 PolarHBondContact O-N 2.94Å; W289-C293 WeakPolarHBondContact O-CB 3.4Å; W289-C293 PolarHBondContact O-N 3.04Å |
| 290 | A | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M240 F278 P286 L288 G294 | M240-A290 WeakPolarHBondContact CA-O 3.47Å; M240-A290 HydrophobicContact CB-CB 4.18Å; M240-A290 WeakPolarHBondContact CG-O 3.49Å; F278-A290 HydrophobicContact CZ-CB 4.42Å; P286-A290 WeakPolarHBondContact O-CB 3.4Å; P286-A290 PolarHBondContact O-N 3.33Å; L288-A290 VanDerWaalsContact C-N 3.35Å; L288-A290 PolarHBondContact O-N 2.93Å; A290-G294 PolarHBondContact O-N 3.36Å |
| 291 | M | 97.2 | Very high | 95 | Very high | 73 Ų | 73 | 38 Ų | 38 | 36% | 0.36 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.7 | -42 | -179.8 | -71 | -170.6 | -53.1 | 0 | 0 | 112.7 | L239 V287 L288 G294 L295 | L239-M291 HydrophobicContact CB-CG 4.28Å; V287-M291 HydrophobicContact CG1-CE 3.81Å; V287-M291 HydrophobicContact CG1-CG 4.46Å; V287-M291 HydrophobicContact CG1-SD 4.21Å; V287-M291 WeakPolarHBondContact O-CB 3.44Å; V287-M291 WeakPolarHBondContact O-CG 3.49Å; V287-M291 PolarHBondContact O-N 3.23Å; L288-M291 PolarHBondContact O-N 3.31Å; M291-G294 PolarHBondContact O-N 3.2Å; M291-L295 WeakPolarHBondContact O-CB 3.07Å; M291-L295 PolarHBondContact O-N 3.48Å |
| 292 | V | 97.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -46 | -179.7 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | L270 V273 L288 G294 L295 G296 | L270-V292 HydrophobicContact CB-CG1 4.21Å; L270-V292 HydrophobicContact CD2-CG1 3.93Å; L270-V292 WeakPolarHBondContact O-CG1 3.48Å; V273-V292 HydrophobicContact CB-CG1 4.23Å; V273-V292 HydrophobicContact CG1-CG1 4.03Å; L288-V292 HydrophobicContact CD1-CG2 3.75Å; L288-V292 HydrophobicContact CG-CG2 4.16Å; L288-V292 VanDerWaalsContact O-CB 3.27Å; L288-V292 WeakPolarHBondContact O-CB 3.05Å; L288-V292 VanDerWaalsContact O-CG2 3.25Å; L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 3.43Å; V292-G294 VanDerWaalsContact C-N 3.31Å; V292-G294 PolarHBondContact O-N 3.47Å; V292-L295 PolarHBondContact O-N 2.79Å; V292-G296 PolarHBondContact O-N 3.36Å |
| 293 | C | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 173.8 | -162 | 0 | 0 | 0 | 0 | 110.7 | L215 F278 W289 L295 G296 L297 | L215-C293 VanDerWaalsContact CD1-SG 3.55Å; F278-C293 HydrophobicContact CE2-CB 4.37Å; W289-C293 WeakPolarHBondContact O-CB 3.4Å; W289-C293 PolarHBondContact O-N 3.04Å; C293-L295 PolarHBondContact O-N 3.46Å; C293-G296 PolarHBondContact O-N 2.99Å; C293-L297 WeakPolarHBondContact O-CG 3.43Å; C293-L297 PolarHBondContact O-N 3.46Å |
| 294 | G | 96.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M240 G243 Q244 A290 M291 V292 G296 L297 G298 | M240-G294 WeakPolarHBondContact O-CA 3.47Å; G243-G294 VanDerWaalsContact C-C 3.47Å; Q244-G294 WeakPolarHBondContact CA-O 2.95Å; Q244-G294 WeakPolarHBondContact CG-O 3.3Å; Q244-G294 PolarHBondContact N-O 3.43Å; A290-G294 PolarHBondContact O-N 3.36Å; M291-G294 PolarHBondContact O-N 3.2Å; V292-G294 VanDerWaalsContact C-N 3.31Å; V292-G294 PolarHBondContact O-N 3.47Å; G294-G296 VanDerWaalsContact C-N 3.31Å; G294-G296 PolarHBondContact O-N 3.46Å; G294-L297 PolarHBondContact O-N 3.06Å; G294-G298 PolarHBondContact O-N 3.49Å |
| 295 | L | 96 | Very high | 94.1 | Very high | 46 Ų | 46 | 25.6 Ų | 25.6 | 24% | 0.241 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56 | -44.8 | 177.4 | -170.5 | 76.3 | 0 | 0 | 0 | 111.7 | G243 A246 G247 L250 L270 M291 V292 C293 G299 | G243-L295 VanDerWaalsContact O-CA 3.24Å; G243-L295 WeakPolarHBondContact O-CA 3.27Å; G243-L295 PolarHBondContact O-N 2.87Å; A246-L295 HydrophobicContact CB-CD1 3.79Å; G247-L295 WeakPolarHBondContact CA-O 3.3Å; L250-L295 HydrophobicContact CD1-CD1 4.37Å; L270-L295 HydrophobicContact CD1-CD2 3.78Å; L270-L295 HydrophobicContact CD1-CG 4.1Å; L270-L295 HydrophobicContact CD2-CD2 4.41Å; M291-L295 WeakPolarHBondContact O-CB 3.07Å; M291-L295 PolarHBondContact O-N 3.48Å; V292-L295 PolarHBondContact O-N 2.79Å; C293-L295 PolarHBondContact O-N 3.46Å; L295-G299 PolarHBondContact O-N 3.33Å |
| 296 | G | 96.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A267 Q271 V292 C293 G294 A300 | A267-G296 VanDerWaalsContact O-CA 3.24Å; A267-G296 WeakPolarHBondContact O-CA 3.42Å; Q271-G296 PolarHBondContact NE2-O 3.33Å; Q271-G296 VanDerWaalsContact NE2-O 3.11Å; V292-G296 PolarHBondContact O-N 3.36Å; C293-G296 PolarHBondContact O-N 2.99Å; G294-G296 VanDerWaalsContact C-N 3.31Å; G294-G296 PolarHBondContact O-N 3.46Å; G296-A300 VanDerWaalsContact O-CB 3.32Å; G296-A300 WeakPolarHBondContact O-CB 3.48Å; G296-A300 PolarHBondContact O-N 3.1Å |
| 297 | L | 94.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.9 | -50 | 178.8 | -73.3 | 164.5 | 0 | 0 | 0 | 111.8 | I208 L215 Q244 Q271 C293 G294 G299 A300 F301 | I208-L297 WeakPolarHBondContact O-CD2 3.24Å; L215-L297 HydrophobicContact CD1-CD1 3.61Å; Q244-L297 HydrophobicContact CG-CB 4.33Å; Q271-L297 HydrophobicContact CG-CD2 4.13Å; Q271-L297 HydrophobicContact CG-CG 3.96Å; C293-L297 WeakPolarHBondContact O-CG 3.43Å; C293-L297 PolarHBondContact O-N 3.46Å; G294-L297 PolarHBondContact O-N 3.06Å; L297-G299 VanDerWaalsContact C-N 3.27Å; L297-G299 PolarHBondContact O-N 2.91Å; L297-A300 PolarHBondContact O-N 3.43Å; L297-F301 PolarHBondContact O-N 3.5Å |
| 298 | G | 91.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -32.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q244 A248 G294 P302 | Q244-G298 WeakPolarHBondContact O-CA 3.49Å; A248-G298 VanDerWaalsContact CA-O 3.23Å; A248-G298 WeakPolarHBondContact CA-O 3.34Å; A248-G298 WeakPolarHBondContact CB-O 3.29Å; A248-G298 PolarHBondContact N-O 3.24Å; G294-G298 PolarHBondContact O-N 3.49Å; G298-P302 WeakPolarHBondContact O-CD 3.25Å |
| 299 | G | 91.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.1 | -43 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | G247 L295 L297 F301 P302 L303 | G247-G299 WeakPolarHBondContact O-CA 3.3Å; L295-G299 PolarHBondContact O-N 3.33Å; L297-G299 VanDerWaalsContact C-N 3.27Å; L297-G299 PolarHBondContact O-N 2.91Å; G299-F301 VanDerWaalsContact C-N 3.31Å; G299-F301 PolarHBondContact O-N 3.18Å; G299-P302 WeakPolarHBondContact O-CD 3.41Å; G299-L303 WeakPolarHBondContact O-CD1 3.47Å; G299-L303 VanDerWaalsContact O-CG 3.27Å; G299-L303 WeakPolarHBondContact O-CG 3.04Å |
| 300 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I208 A267 G296 L297 L303 C304 | I208-A300 HydrophobicContact CG2-CB 3.74Å; A267-A300 HydrophobicContact CB-CB 4.04Å; G296-A300 VanDerWaalsContact O-CB 3.32Å; G296-A300 WeakPolarHBondContact O-CB 3.48Å; G296-A300 PolarHBondContact O-N 3.1Å; L297-A300 PolarHBondContact O-N 3.43Å; A300-L303 PolarHBondContact O-N 2.87Å; A300-C304 PolarHBondContact O-N 3Å; A300-C304 PolarHBondContact O-SG 3.49Å |
| 301 | F | 90 | Very high | 90.7 | Very high | 50 Ų | 50 | 22 Ų | 22 | 22% | 0.219 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -54.8 | -63.3 | -178.2 | -175.3 | -85 | 0 | 0 | 0 | 113.8 | F205 N209 L297 G299 L303 C304 L305 F330 | F205-F301 HydrophobicContact CE1-CE2 4.47Å; F205-F301 AromaticContact CE2-CD2 3.94Å; F205-F301 HydrophobicContact CE2-CD2 3.94Å; F205-F301 HydrophobicContact CE2-CE2 4.06Å; F205-F301 AromaticContact CZ-CD2 3.76Å; F205-F301 HydrophobicContact CZ-CD2 3.76Å; F205-F301 AromaticContact CZ-CE2 3.45Å; F205-F301 HydrophobicContact CZ-CE2 3.45Å; F205-F301 VanDerWaalsContact CZ-CE2 3.45Å; F205-F301 HydrophobicContact CZ-CZ 4.15Å; N209-F301 WeakPolarHBondContact OD1-CD2 3.28Å; L297-F301 PolarHBondContact O-N 3.5Å; G299-F301 VanDerWaalsContact C-N 3.31Å; G299-F301 PolarHBondContact O-N 3.18Å; F301-L303 VanDerWaalsContact C-N 3.3Å; F301-L303 PolarHBondContact O-N 3.47Å; F301-C304 PolarHBondContact O-N 2.64Å; F301-L305 HydrophobicContact CD1-CD1 4.18Å; F301-L305 HydrophobicContact CE1-CD1 3.73Å; F301-L305 HydrophobicContact CE1-CG 4.41Å; F301-L305 HydrophobicContact CZ-CD1 4.48Å; F301-L305 PolarHBondContact O-N 3.3Å; F301-F330 HydrophobicContact CE2-CE1 4.48Å; F301-F330 HydrophobicContact CE2-CZ 4.02Å; F301-F330 HydrophobicContact CZ-CZ 4.46Å |
| 302 | P | 86 | Confident | 89.8 | Confident | 24 Ų | 24 | 19.3 Ų | 19.3 | 16% | 0.156 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.4 | -30.9 | 179.6 | 28.5 | -35.8 | 0 | 0 | 0 | 112.6 | A248 P252 G298 G299 C304 L305 L306 | A248-P302 HydrophobicContact CB-CG 4.45Å; P252-P302 HydrophobicContact CG-CB 3.67Å; P252-P302 HydrophobicContact CG-CG 3.48Å; P252-P302 VanDerWaalsContact CG-CG 3.48Å; G298-P302 WeakPolarHBondContact O-CD 3.25Å; G299-P302 WeakPolarHBondContact O-CD 3.41Å; P302-C304 VanDerWaalsContact C-N 3.31Å; P302-C304 PolarHBondContact O-N 2.89Å; P302-L305 WeakPolarHBondContact O-CB 3.35Å; P302-L305 PolarHBondContact O-N 2.7Å; P302-L306 WeakPolarHBondContact O-CG 3.48Å; P302-L306 PolarHBondContact O-N 3.45Å |
| 303 | L | 89.8 | Confident | 88.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63 | -37.2 | 174.8 | -71.3 | 175.1 | 0 | 0 | 0 | 112.1 | M251 A255 L263 L264 G299 A300 F301 L306 L307 | M251-L303 HydrophobicContact CB-CD1 4.02Å; M251-L303 HydrophobicContact CB-CG 4.23Å; A255-L303 HydrophobicContact CB-CD2 4.26Å; L263-L303 HydrophobicContact CB-CD1 3.69Å; L263-L303 HydrophobicContact CB-CD2 4.14Å; L263-L303 HydrophobicContact CD1-CD2 4.21Å; L264-L303 HydrophobicContact CD2-CB 3.55Å; L264-L303 HydrophobicContact CD2-CD1 4.09Å; L264-L303 HydrophobicContact CG-CB 4.15Å; L264-L303 HydrophobicContact CG-CD1 4.31Å; G299-L303 WeakPolarHBondContact O-CD1 3.47Å; G299-L303 VanDerWaalsContact O-CG 3.27Å; G299-L303 WeakPolarHBondContact O-CG 3.04Å; A300-L303 PolarHBondContact O-N 2.87Å; F301-L303 VanDerWaalsContact C-N 3.3Å; F301-L303 PolarHBondContact O-N 3.47Å; L303-L306 PolarHBondContact O-N 2.93Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 3.32Å |
| 304 | C | 91.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 173.8 | -66.7 | 0 | 0 | 0 | 0 | 112 | F205 A300 F301 P302 L307 A308 M325 | F205-C304 HydrophobicContact CD2-CB 3.61Å; F205-C304 HydrophobicContact CE2-CB 4.08Å; A300-C304 PolarHBondContact O-N 3Å; A300-C304 PolarHBondContact O-SG 3.49Å; F301-C304 PolarHBondContact O-N 2.64Å; P302-C304 VanDerWaalsContact C-N 3.31Å; P302-C304 PolarHBondContact O-N 2.89Å; C304-L307 PolarHBondContact O-N 3.13Å; C304-A308 PolarHBondContact O-N 3Å; C304-M325 HydrophobicContact CB-CE 4.5Å |
| 305 | L | 87.7 | Confident | 86.9 | Confident | 38 Ų | 38 | 35.5 Ų | 35.5 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -47.2 | 174.4 | -56.5 | -175.8 | 0 | 0 | 0 | 111.2 | F205 F301 P302 L307 A308 L309 V322 M325 Q326 | F205-L305 HydrophobicContact CE2-CD2 4.24Å; F301-L305 HydrophobicContact CD1-CD1 4.18Å; F301-L305 HydrophobicContact CE1-CD1 3.73Å; F301-L305 HydrophobicContact CE1-CG 4.41Å; F301-L305 HydrophobicContact CZ-CD1 4.48Å; F301-L305 PolarHBondContact O-N 3.3Å; P302-L305 WeakPolarHBondContact O-CB 3.35Å; P302-L305 PolarHBondContact O-N 2.7Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.18Å; L305-A308 PolarHBondContact O-N 3.38Å; L305-L309 WeakPolarHBondContact O-CG 3.38Å; L305-L309 PolarHBondContact O-N 3.36Å; L305-V322 HydrophobicContact CD2-CG1 4.12Å; L305-M325 HydrophobicContact CD2-CE 3.72Å; L305-Q326 HydrophobicContact CD2-CG 4.11Å |
| 306 | L | 85.2 | Confident | 86 | Confident | 50 Ų | 50 | 35.6 Ų | 35.6 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 174.5 | -70.9 | 174.9 | 0 | 0 | 0 | 111.1 | P252 P302 L303 A308 L309 D310 | P252-L306 HydrophobicContact CB-CD1 4.39Å; P302-L306 WeakPolarHBondContact O-CG 3.48Å; P302-L306 PolarHBondContact O-N 3.45Å; L303-L306 PolarHBondContact O-N 2.93Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.96Å; L306-L309 PolarHBondContact O-N 2.85Å; L306-D310 WeakPolarHBondContact O-CB 3.26Å; L306-D310 PolarHBondContact O-N 3.21Å |
| 307 | L | 88 | Confident | 85.2 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -55.7 | -48.1 | 176.8 | 176.3 | 65.4 | 0 | 0 | 0 | 111.2 | L201 L264 L303 C304 L305 D310 H311 F371 F376 | L201-L307 HydrophobicContact CD2-CD2 3.86Å; L201-L307 HydrophobicContact CD2-CG 4.12Å; L264-L307 HydrophobicContact CD1-CD2 4.11Å; L303-L307 VanDerWaalsContact O-CB 3.28Å; L303-L307 WeakPolarHBondContact O-CB 3.37Å; L303-L307 PolarHBondContact O-N 3.32Å; C304-L307 PolarHBondContact O-N 3.13Å; L305-L307 VanDerWaalsContact C-N 3.32Å; L305-L307 PolarHBondContact O-N 3.18Å; L307-D310 PolarHBondContact O-N 3.33Å; L307-H311 PolarHBondContact O-CE1 3.27Å; L307-H311 PolarHBondContact O-ND1 3.37Å; L307-F371 HydrophobicContact CD1-CB 4.02Å; L307-F371 HydrophobicContact CD1-CG 4.28Å; L307-F371 HydrophobicContact CD2-CB 4.29Å; L307-F371 HydrophobicContact CD2-CD1 4.03Å; L307-F371 HydrophobicContact CD2-CD2 3.67Å; L307-F371 HydrophobicContact CD2-CE1 4.29Å; L307-F371 HydrophobicContact CD2-CE2 3.94Å; L307-F371 HydrophobicContact CD2-CG 3.75Å; L307-F371 HydrophobicContact CD2-CZ 4.26Å; L307-F376 HydrophobicContact CD1-CE1 4.22Å; L307-F376 HydrophobicContact CD1-CE2 4.33Å; L307-F376 HydrophobicContact CD1-CZ 3.56Å |
| 308 | A | 86.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -38.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L201 C304 L305 L306 D310 H311 L321 V322 M325 | L201-A308 HydrophobicContact CD1-CB 4.41Å; C304-A308 PolarHBondContact O-N 3Å; L305-A308 PolarHBondContact O-N 3.38Å; L306-A308 VanDerWaalsContact C-N 3.33Å; L306-A308 PolarHBondContact O-N 2.96Å; A308-D310 VanDerWaalsContact C-N 3.33Å; A308-D310 PolarHBondContact O-N 3.47Å; A308-H311 WeakPolarHBondContact O-CB 3.42Å; A308-H311 PolarHBondContact O-N 2.92Å; A308-L321 WeakPolarHBondContact O-CD2 3.29Å; A308-V322 HydrophobicContact CB-CG2 3.73Å; A308-M325 HydrophobicContact CB-CE 3.76Å; A308-M325 HydrophobicContact CB-SD 3.7Å |
| 309 | L | 84.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 37.9 Ų | 37.9 | 41% | 0.414 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.9 | -70.6 | 171.4 | 0 | 0 | 0 | 112.1 | L305 L306 H311 S312 A318 V322 | L305-L309 WeakPolarHBondContact O-CG 3.38Å; L305-L309 PolarHBondContact O-N 3.36Å; L306-L309 PolarHBondContact O-N 2.85Å; L309-H311 PolarHBondContact O-N 2.86Å; L309-H311 VanDerWaalsContact O-N 3.12Å; L309-S312 PolarHBondContact O-N 2.83Å; L309-A318 HydrophobicContact CD2-CB 3.96Å; L309-V322 HydrophobicContact CD2-CG2 3.72Å; L309-V322 HydrophobicContact CG-CG2 3.85Å |
| 310 | D | 83.2 | Confident | 83.7 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 33% | 0.332 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -9 | 179.7 | -69.4 | -20 | 0 | 0 | 0 | 112.9 | R260 L306 L307 A308 F376 | R260-D310 IonicContact CZ-OD2 2.74Å; R260-D310 IonicContact NE-OD2 3.39Å; R260-D310 PolarHBondContact NE-OD2 3.33Å; R260-D310 IonicContact NH2-OD2 3.69Å; R260-D310 PolarHBondContact NH2-OD2 2.64Å; L306-D310 WeakPolarHBondContact O-CB 3.26Å; L306-D310 PolarHBondContact O-N 3.21Å; L307-D310 PolarHBondContact O-N 3.33Å; A308-D310 VanDerWaalsContact C-N 3.33Å; A308-D310 PolarHBondContact O-N 3.47Å; D310-F376 HydrophobicContact CB-CE2 4.42Å |
| 311 | H | 81.5 | Confident | 83.4 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.019 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19 | 178 | -80.1 | 69.6 | 0 | 0 | 0 | 114.3 | R197 L307 A308 L309 L321 F376 W380 | R197-H311 PolarHBondContact NE-NE2 2.92Å; L307-H311 PolarHBondContact O-CE1 3.27Å; L307-H311 PolarHBondContact O-ND1 3.37Å; A308-H311 WeakPolarHBondContact O-CB 3.42Å; A308-H311 PolarHBondContact O-N 2.92Å; L309-H311 PolarHBondContact O-N 2.86Å; L309-H311 VanDerWaalsContact O-N 3.12Å; H311-L321 HydrophobicContact CB-CD2 3.59Å; H311-F376 AromaticContact CD2-CD1 3.63Å; H311-F376 AromaticContact CE1-CD1 3.67Å; H311-F376 AromaticContact CE1-CE1 3.31Å; H311-F376 WeakPolarHBondContact CE1-CE1 3.41Å; H311-F376 AromaticContact CE1-CZ 3.89Å; H311-F376 AromaticContact ND1-CE1 3.99Å; H311-F376 AromaticContact NE2-CD1 3.38Å; H311-F376 WeakPolarHBondContact NE2-CD1 3.25Å; H311-F376 AromaticContact NE2-CE1 3.35Å; H311-F376 VanDerWaalsContact NE2-CE1 3.35Å; H311-F376 WeakPolarHBondContact NE2-CE1 3.45Å; H311-W380 PolarHBondContact O-NE1 3.11Å |
| 312 | S | 77.4 | Confident | 83.3 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | trans | -144.2 | 130.7 | 179.4 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | L309 Q314 I317 | L309-S312 PolarHBondContact O-N 2.83Å; S312-Q314 PolarHBondContact O-N 3.22Å; S312-Q314 PolarHBondContact OG-N 3.41Å; S312-Q314 VanDerWaalsContact OG-N 3.08Å; S312-Q314 PolarHBondContact OG-O 3.09Å; S312-I317 WeakPolarHBondContact OG-CB 3.15Å | ||
| 313 | V | 74.9 | Confident | 83.4 | Confident | 148 Ų | 148 | 40.5 Ų | 40.5 | 90% | 0.897 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -68.4 | -27.8 | 173.1 | -174 | 0 | 0 | 0 | 0 | 111.2 | P315 | V313-P315 VanDerWaalsContact O-CD 3.27Å; V313-P315 WeakPolarHBondContact O-CD 3.45Å |
| 314 | Q | 78.8 | Confident | 83.5 | Confident | 104 Ų | 104 | 41.3 Ų | 41.3 | 49% | 0.486 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -76.4 | 117.2 | 178.4 | -62.8 | -173.5 | 24.6 | 0 | 0 | 110.7 | S312 A316 I317 A318 | S312-Q314 PolarHBondContact O-N 3.22Å; S312-Q314 PolarHBondContact OG-N 3.41Å; S312-Q314 VanDerWaalsContact OG-N 3.08Å; S312-Q314 PolarHBondContact OG-O 3.09Å; Q314-A316 VanDerWaalsContact C-N 3.3Å; Q314-A316 PolarHBondContact O-N 3.04Å; Q314-I317 HydrophobicContact CB-CB 4.16Å; Q314-I317 HydrophobicContact CB-CD1 4.07Å; Q314-I317 HydrophobicContact CB-CG1 3.92Å; Q314-I317 HydrophobicContact CG-CD1 4.39Å; Q314-I317 PolarHBondContact O-N 3.22Å; Q314-A318 PolarHBondContact O-N 2.89Å |
| 315 | P | 76.5 | Confident | 83.6 | Confident | 113 Ų | 113 | 41.3 Ų | 41.3 | 73% | 0.734 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61.4 | -33.9 | -174.9 | -26.3 | 36 | 0 | 0 | 0 | 114.2 | V313 G319 | V313-P315 VanDerWaalsContact O-CD 3.27Å; V313-P315 WeakPolarHBondContact O-CD 3.45Å; P315-G319 PolarHBondContact O-N 3Å |
| 316 | A | 77.4 | Confident | 83.8 | Confident | 49 Ų | 49 | 41.2 Ų | 41.2 | 41% | 0.405 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q314 K320 | Q314-A316 VanDerWaalsContact C-N 3.3Å; Q314-A316 PolarHBondContact O-N 3.04Å; A316-K320 WeakPolarHBondContact O-CG 3.36Å; A316-K320 PolarHBondContact O-N 3.12Å; A316-K320 VanDerWaalsContact O-N 3.12Å |
| 317 | I | 80.9 | Confident | 84.2 | Confident | 10 Ų | 10 | 38.9 Ų | 38.9 | 5% | 0.051 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70 | -47.9 | 178 | -59.4 | -167.3 | 0 | 0 | 0 | 110.4 | V190 S312 Q314 G319 K320 L321 W380 | V190-I317 HydrophobicContact CG1-CG2 4.38Å; V190-I317 HydrophobicContact CG2-CD1 4.02Å; V190-I317 HydrophobicContact CG2-CG1 3.87Å; S312-I317 WeakPolarHBondContact OG-CB 3.15Å; Q314-I317 HydrophobicContact CB-CB 4.16Å; Q314-I317 HydrophobicContact CB-CD1 4.07Å; Q314-I317 HydrophobicContact CB-CG1 3.92Å; Q314-I317 HydrophobicContact CG-CD1 4.39Å; Q314-I317 PolarHBondContact O-N 3.22Å; I317-G319 VanDerWaalsContact C-N 3.28Å; I317-G319 PolarHBondContact O-N 3.43Å; I317-K320 PolarHBondContact O-N 2.87Å; I317-K320 VanDerWaalsContact O-N 3.14Å; I317-L321 PolarHBondContact O-N 3.41Å; I317-W380 HydrophobicContact CG2-CD2 4.09Å; I317-W380 HydrophobicContact CG2-CE3 3.28Å; I317-W380 HydrophobicContact CG2-CH2 3.83Å; I317-W380 HydrophobicContact CG2-CZ3 3.13Å |
| 318 | A | 81 | Confident | 84.5 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.1 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L309 Q314 L321 V322 | L309-A318 HydrophobicContact CD2-CB 3.96Å; Q314-A318 PolarHBondContact O-N 2.89Å; A318-L321 PolarHBondContact O-N 3.25Å; A318-V322 VanDerWaalsContact O-CG2 3.32Å; A318-V322 WeakPolarHBondContact O-CG2 3.41Å; A318-V322 PolarHBondContact O-N 3.43Å |
| 319 | G | 80.5 | Confident | 84.9 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 39% | 0.392 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P315 I317 V322 A323 | P315-G319 PolarHBondContact O-N 3Å; I317-G319 VanDerWaalsContact C-N 3.28Å; I317-G319 PolarHBondContact O-N 3.43Å; G319-V322 PolarHBondContact O-N 3.39Å; G319-A323 WeakPolarHBondContact O-CB 3.21Å; G319-A323 PolarHBondContact O-N 3.5Å |
| 320 | K | 84 | Confident | 85.4 | Confident | 71 Ų | 71 | 36.4 Ų | 36.4 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.9 | -39.8 | 175.6 | -76.1 | 179.4 | 170.3 | -128.2 | 0 | 112.5 | T188 V190 V192 A316 I317 A323 F324 | T188-K320 WeakPolarHBondContact O-CE 3.45Å; T188-K320 PolarHBondContact O-NZ 3.04Å; V190-K320 HydrophobicContact CB-CD 4.24Å; V192-K320 HydrophobicContact CG2-CB 3.92Å; A316-K320 WeakPolarHBondContact O-CG 3.36Å; A316-K320 PolarHBondContact O-N 3.12Å; A316-K320 VanDerWaalsContact O-N 3.12Å; I317-K320 PolarHBondContact O-N 2.87Å; I317-K320 VanDerWaalsContact O-N 3.14Å; K320-A323 PolarHBondContact O-N 2.84Å; K320-F324 WeakPolarHBondContact O-CB 3.32Å; K320-F324 PolarHBondContact O-N 3.48Å |
| 321 | L | 87.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.8 | -176.8 | 64.4 | 0 | 0 | 0 | 111.9 | V192 A198 L201 A308 H311 I317 A318 F324 M325 W380 | V192-L321 HydrophobicContact CG1-CD1 3.67Å; A198-L321 HydrophobicContact CB-CD1 3.55Å; L201-L321 HydrophobicContact CD1-CD1 4.09Å; L201-L321 HydrophobicContact CD1-CD2 3.85Å; L201-L321 HydrophobicContact CD1-CG 4.1Å; A308-L321 WeakPolarHBondContact O-CD2 3.29Å; H311-L321 HydrophobicContact CB-CD2 3.59Å; I317-L321 PolarHBondContact O-N 3.41Å; A318-L321 PolarHBondContact O-N 3.25Å; L321-F324 PolarHBondContact O-N 2.85Å; L321-M325 VanDerWaalsContact O-CB 3.27Å; L321-M325 WeakPolarHBondContact O-CB 3.49Å; L321-M325 PolarHBondContact O-N 2.61Å; L321-W380 HydrophobicContact CB-CH2 4.24Å; L321-W380 HydrophobicContact CB-CZ2 4.47Å; L321-W380 HydrophobicContact CD1-CH2 3.98Å; L321-W380 HydrophobicContact CD1-CZ2 3.89Å; L321-W380 HydrophobicContact CD2-CH2 4.19Å; L321-W380 HydrophobicContact CD2-CZ2 3.61Å; L321-W380 HydrophobicContact CG-CH2 4.37Å; L321-W380 HydrophobicContact CG-CZ2 4.2Å |
| 322 | V | 87.1 | Confident | 86.8 | Confident | 21 Ų | 21 | 38 Ų | 38 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -45.4 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | L305 A308 L309 A318 G319 F324 M325 Q326 | L305-V322 HydrophobicContact CD2-CG1 4.12Å; A308-V322 HydrophobicContact CB-CG2 3.73Å; L309-V322 HydrophobicContact CD2-CG2 3.72Å; L309-V322 HydrophobicContact CG-CG2 3.85Å; A318-V322 VanDerWaalsContact O-CG2 3.32Å; A318-V322 WeakPolarHBondContact O-CG2 3.41Å; A318-V322 PolarHBondContact O-N 3.43Å; G319-V322 PolarHBondContact O-N 3.39Å; V322-F324 PolarHBondContact O-N 3.21Å; V322-M325 PolarHBondContact O-N 3.14Å; V322-Q326 HydrophobicContact CG1-CG 4.43Å; V322-Q326 WeakPolarHBondContact O-CB 3.45Å; V322-Q326 WeakPolarHBondContact O-CG 3.46Å; V322-Q326 PolarHBondContact O-N 3.34Å |
| 323 | A | 87.6 | Confident | 87.7 | Confident | 37 Ų | 37 | 37.2 Ų | 37.2 | 31% | 0.306 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G319 K320 G327 | G319-A323 WeakPolarHBondContact O-CB 3.21Å; G319-A323 PolarHBondContact O-N 3.5Å; K320-A323 PolarHBondContact O-N 2.84Å; A323-G327 PolarHBondContact O-N 2.9Å |
| 324 | F | 91.6 | Very high | 88.7 | Confident | 17 Ų | 17 | 30.2 Ų | 30.2 | 8% | 0.075 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.8 | -177.6 | -95.9 | 0 | 0 | 0 | 112.1 | L53 V192 V193 A198 W199 K320 L321 V322 Q326 G327 I328 | L53-F324 HydrophobicContact CD2-CD2 4.04Å; V192-F324 HydrophobicContact CG1-CB 3.81Å; V192-F324 HydrophobicContact CG1-CD1 4Å; V192-F324 HydrophobicContact CG1-CG 3.89Å; V193-F324 HydrophobicContact CB-CE2 4.17Å; V193-F324 HydrophobicContact CG1-CE2 4.21Å; V193-F324 HydrophobicContact CG2-CD2 4.06Å; V193-F324 HydrophobicContact CG2-CE2 3.76Å; A198-F324 HydrophobicContact CB-CD1 3.67Å; A198-F324 HydrophobicContact CB-CE1 3.76Å; W199-F324 HydrophobicContact CD2-CE1 4.39Å; W199-F324 HydrophobicContact CD2-CZ 4.13Å; W199-F324 AromaticContact CE2-CZ 3.8Å; W199-F324 HydrophobicContact CG-CE1 4.48Å; W199-F324 HydrophobicContact CH2-CZ 4.45Å; W199-F324 AromaticContact CZ2-CZ 3.99Å; W199-F324 HydrophobicContact CZ2-CZ 3.99Å; K320-F324 WeakPolarHBondContact O-CB 3.32Å; K320-F324 PolarHBondContact O-N 3.48Å; L321-F324 PolarHBondContact O-N 2.85Å; V322-F324 PolarHBondContact O-N 3.21Å; F324-Q326 PolarHBondContact O-N 3.12Å; F324-G327 PolarHBondContact O-N 2.78Å; F324-I328 HydrophobicContact CD1-CG1 4.35Å; F324-I328 HydrophobicContact CD2-CG1 4.36Å; F324-I328 HydrophobicContact CE1-CG1 3.9Å; F324-I328 HydrophobicContact CE2-CD1 4.28Å; F324-I328 HydrophobicContact CE2-CG1 3.89Å; F324-I328 HydrophobicContact CZ-CD1 4.26Å; F324-I328 HydrophobicContact CZ-CG1 3.65Å; F324-I328 PolarHBondContact O-N 3.38Å |
| 325 | M | 93.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.2 | -48.6 | 177.2 | 175.9 | -173.5 | 73.8 | 0 | 0 | 111.5 | L201 F205 C304 L305 A308 L321 V322 G329 | L201-M325 HydrophobicContact CB-CB 4.35Å; L201-M325 HydrophobicContact CB-CG 3.97Å; L201-M325 HydrophobicContact CB-SD 3.97Å; L201-M325 HydrophobicContact CD2-SD 4.5Å; L201-M325 WeakPolarHBondContact O-CG 3.29Å; F205-M325 HydrophobicContact CB-CG 3.69Å; F205-M325 HydrophobicContact CB-SD 4.12Å; F205-M325 HydrophobicContact CD2-CE 4.02Å; F205-M325 HydrophobicContact CD2-SD 4.37Å; F205-M325 HydrophobicContact CE2-CE 4.34Å; F205-M325 HydrophobicContact CG-CE 4.35Å; F205-M325 HydrophobicContact CG-CG 4.08Å; F205-M325 HydrophobicContact CG-SD 4.38Å; C304-M325 HydrophobicContact CB-CE 4.5Å; L305-M325 HydrophobicContact CD2-CE 3.72Å; A308-M325 HydrophobicContact CB-CE 3.76Å; A308-M325 HydrophobicContact CB-SD 3.7Å; L321-M325 VanDerWaalsContact O-CB 3.27Å; L321-M325 WeakPolarHBondContact O-CB 3.49Å; L321-M325 PolarHBondContact O-N 2.61Å; V322-M325 PolarHBondContact O-N 3.14Å; M325-G329 WeakPolarHBondContact O-CA 3.47Å; M325-G329 PolarHBondContact O-N 2.92Å |
| 326 | Q | 92.1 | Very high | 90.4 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 17% | 0.173 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -43 | 177.7 | -75.8 | -174.3 | -10.1 | 0 | 0 | 111.5 | F205 L305 V322 F324 G329 F330 | F205-Q326 HydrophobicContact CE1-CB 4.35Å; F205-Q326 HydrophobicContact CE1-CG 4.01Å; F205-Q326 HydrophobicContact CZ-CG 4.08Å; L305-Q326 HydrophobicContact CD2-CG 4.11Å; V322-Q326 HydrophobicContact CG1-CG 4.43Å; V322-Q326 WeakPolarHBondContact O-CB 3.45Å; V322-Q326 WeakPolarHBondContact O-CG 3.46Å; V322-Q326 PolarHBondContact O-N 3.34Å; F324-Q326 PolarHBondContact O-N 3.12Å; Q326-G329 PolarHBondContact O-N 3.15Å; Q326-F330 HydrophobicContact CB-CD2 4.18Å; Q326-F330 HydrophobicContact CB-CE2 4.11Å; Q326-F330 HydrophobicContact CG-CE2 4.4Å; Q326-F330 WeakPolarHBondContact O-CB 3.33Å; Q326-F330 WeakPolarHBondContact O-CD2 3.48Å; Q326-F330 WeakPolarHBondContact O-CG 3.31Å; Q326-F330 PolarHBondContact O-N 3.46Å |
| 327 | G | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -58.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G49 A323 F324 G329 F330 I331 | G49-G327 VanDerWaalsContact CA-O 3.29Å; G49-G327 WeakPolarHBondContact CA-O 3.16Å; G49-G327 VanDerWaalsContact O-CA 3.26Å; G49-G327 WeakPolarHBondContact O-CA 3.28Å; A323-G327 PolarHBondContact O-N 2.9Å; F324-G327 PolarHBondContact O-N 2.78Å; G327-G329 VanDerWaalsContact C-N 3.33Å; G327-G329 PolarHBondContact O-N 3.36Å; G327-F330 PolarHBondContact O-N 2.88Å; G327-I331 WeakPolarHBondContact O-CG1 3.08Å; G327-I331 PolarHBondContact O-N 2.85Å; G327-I331 VanDerWaalsContact O-N 3.15Å |
| 328 | I | 95.7 | Very high | 91.7 | Very high | 21 Ų | 21 | 27.2 Ų | 27.2 | 11% | 0.108 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 176.9 | -63.9 | -57.7 | 0 | 0 | 0 | 111 | L53 W199 F324 F330 I331 I332 | L53-I328 HydrophobicContact CD1-CD1 4.3Å; W199-I328 HydrophobicContact CE3-CG2 4.33Å; W199-I328 HydrophobicContact CH2-CD1 4.11Å; W199-I328 HydrophobicContact CZ3-CD1 4.03Å; W199-I328 HydrophobicContact CZ3-CG1 4.35Å; W199-I328 HydrophobicContact CZ3-CG2 4.19Å; F324-I328 HydrophobicContact CD1-CG1 4.35Å; F324-I328 HydrophobicContact CD2-CG1 4.36Å; F324-I328 HydrophobicContact CE1-CG1 3.9Å; F324-I328 HydrophobicContact CE2-CD1 4.28Å; F324-I328 HydrophobicContact CE2-CG1 3.89Å; F324-I328 HydrophobicContact CZ-CD1 4.26Å; F324-I328 HydrophobicContact CZ-CG1 3.65Å; F324-I328 PolarHBondContact O-N 3.38Å; I328-F330 PolarHBondContact O-N 3.45Å; I328-I331 PolarHBondContact O-N 3.38Å; I328-I332 HydrophobicContact CG2-CD1 3.78Å; I328-I332 HydrophobicContact CG2-CG1 4.48Å; I328-I332 WeakPolarHBondContact O-CG1 3.15Å; I328-I332 PolarHBondContact O-N 3.26Å |
| 329 | G | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -36.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G202 G206 M325 Q326 G327 I332 A333 | G202-G329 VanDerWaalsContact O-CA 3.23Å; G202-G329 WeakPolarHBondContact O-CA 3.39Å; G206-G329 VanDerWaalsContact CA-CA 3.4Å; G206-G329 WeakPolarHBondContact CA-O 3.33Å; M325-G329 WeakPolarHBondContact O-CA 3.47Å; M325-G329 PolarHBondContact O-N 2.92Å; Q326-G329 PolarHBondContact O-N 3.15Å; G327-G329 VanDerWaalsContact C-N 3.33Å; G327-G329 PolarHBondContact O-N 3.36Å; G329-I332 PolarHBondContact O-N 3.47Å; G329-A333 VanDerWaalsContact O-CB 3.23Å; G329-A333 WeakPolarHBondContact O-CB 3.43Å; G329-A333 PolarHBondContact O-N 3.46Å |
| 330 | F | 94.7 | Very high | 92.9 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 4% | 0.044 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 173 | -76.3 | -50.3 | 0 | 0 | 0 | 112.6 | V45 M48 F205 F301 Q326 G327 I328 A333 G334 | V45-F330 HydrophobicContact CG1-CB 4.33Å; V45-F330 HydrophobicContact CG1-CD1 4.06Å; V45-F330 WeakPolarHBondContact CG1-O 3.04Å; M48-F330 HydrophobicContact CE-CE1 4.3Å; M48-F330 HydrophobicContact CE-CZ 4.34Å; F205-F330 HydrophobicContact CE1-CE1 4.27Å; F205-F330 HydrophobicContact CE1-CE2 4.29Å; F205-F330 HydrophobicContact CE1-CZ 4.14Å; F205-F330 HydrophobicContact CZ-CZ 4.37Å; F301-F330 HydrophobicContact CE2-CE1 4.48Å; F301-F330 HydrophobicContact CE2-CZ 4.02Å; F301-F330 HydrophobicContact CZ-CZ 4.46Å; Q326-F330 HydrophobicContact CB-CD2 4.18Å; Q326-F330 HydrophobicContact CB-CE2 4.11Å; Q326-F330 HydrophobicContact CG-CE2 4.4Å; Q326-F330 WeakPolarHBondContact O-CB 3.33Å; Q326-F330 WeakPolarHBondContact O-CD2 3.48Å; Q326-F330 WeakPolarHBondContact O-CG 3.31Å; Q326-F330 PolarHBondContact O-N 3.46Å; G327-F330 PolarHBondContact O-N 2.88Å; I328-F330 PolarHBondContact O-N 3.45Å; F330-A333 PolarHBondContact O-N 2.61Å; F330-G334 PolarHBondContact O-N 2.87Å |
| 331 | I | 96.4 | Very high | 93.4 | Very high | 53 Ų | 53 | 25.5 Ų | 25.5 | 27% | 0.272 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -59.9 | -49.5 | 171.1 | -67.3 | 165.1 | 0 | 0 | 0 | 110 | L53 G327 I328 G334 L335 | L53-I331 HydrophobicContact CD1-CD1 4.09Å; G327-I331 WeakPolarHBondContact O-CG1 3.08Å; G327-I331 PolarHBondContact O-N 2.85Å; G327-I331 VanDerWaalsContact O-N 3.15Å; I328-I331 PolarHBondContact O-N 3.38Å; I331-G334 PolarHBondContact O-N 3.41Å; I331-L335 WeakPolarHBondContact O-CG 3.29Å; I331-L335 PolarHBondContact O-N 3.45Å; I331-L335 VanDerWaalsContact O-N 3.17Å |
| 332 | I | 97 | Very high | 93.7 | Very high | 46 Ų | 46 | 27.3 Ų | 27.3 | 24% | 0.236 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 177.5 | -66.6 | 168.6 | 0 | 0 | 0 | 111.2 | V203 L207 I328 G329 G334 L335 A336 | V203-I332 HydrophobicContact CB-CD1 4.3Å; V203-I332 HydrophobicContact CG2-CD1 3.9Å; L207-I332 HydrophobicContact CD2-CG2 4.41Å; I328-I332 HydrophobicContact CG2-CD1 3.78Å; I328-I332 HydrophobicContact CG2-CG1 4.48Å; I328-I332 WeakPolarHBondContact O-CG1 3.15Å; I328-I332 PolarHBondContact O-N 3.26Å; G329-I332 PolarHBondContact O-N 3.47Å; I332-G334 VanDerWaalsContact C-N 3.29Å; I332-G334 PolarHBondContact O-N 2.94Å; I332-L335 PolarHBondContact O-N 2.78Å; I332-L335 VanDerWaalsContact O-N 3.14Å; I332-A336 PolarHBondContact O-N 3.29Å |
| 333 | A | 96.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -36.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V45 N209 A213 G329 F330 L335 A336 P337 | V45-A333 HydrophobicContact CG1-CB 4.16Å; N209-A333 HydrophobicContact CB-CB 3.8Å; A213-A333 VanDerWaalsContact CB-O 3.25Å; A213-A333 WeakPolarHBondContact CB-O 3.3Å; G329-A333 VanDerWaalsContact O-CB 3.23Å; G329-A333 WeakPolarHBondContact O-CB 3.43Å; G329-A333 PolarHBondContact O-N 3.46Å; F330-A333 PolarHBondContact O-N 2.61Å; A333-L335 VanDerWaalsContact C-N 3.31Å; A333-L335 PolarHBondContact O-N 2.9Å; A333-A336 WeakPolarHBondContact O-CB 3.25Å; A333-A336 PolarHBondContact O-N 3.47Å; A333-P337 WeakPolarHBondContact O-CD 3.48Å |
| 334 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.6 | -29.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A42 F330 I331 I332 A336 P337 | A42-G334 VanDerWaalsContact CA-O 3.3Å; A42-G334 WeakPolarHBondContact CA-O 3.33Å; A42-G334 WeakPolarHBondContact CB-O 3.48Å; F330-G334 PolarHBondContact O-N 2.87Å; I331-G334 PolarHBondContact O-N 3.41Å; I332-G334 VanDerWaalsContact C-N 3.29Å; I332-G334 PolarHBondContact O-N 2.94Å; G334-A336 VanDerWaalsContact C-N 3.28Å; G334-A336 PolarHBondContact O-N 2.71Å; G334-P337 WeakPolarHBondContact O-CD 3.13Å |
| 335 | L | 95.5 | Very high | 94.4 | Very high | 94 Ų | 94 | 28.6 Ų | 28.6 | 49% | 0.492 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -72.3 | -21.5 | 173.8 | -65.7 | 174.2 | 0 | 0 | 0 | 113.1 | I331 I332 A333 W338 F339 | I331-L335 WeakPolarHBondContact O-CG 3.29Å; I331-L335 PolarHBondContact O-N 3.45Å; I331-L335 VanDerWaalsContact O-N 3.17Å; I332-L335 PolarHBondContact O-N 2.78Å; I332-L335 VanDerWaalsContact O-N 3.14Å; A333-L335 VanDerWaalsContact C-N 3.31Å; A333-L335 PolarHBondContact O-N 2.9Å; L335-W338 PolarHBondContact O-N 3.31Å; L335-F339 PolarHBondContact O-N 2.78Å |
| 336 | A | 95.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.4 | -52 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S214 I332 A333 G334 W338 F339 S340 | S214-A336 VanDerWaalsContact OG-C 3.3Å; I332-A336 PolarHBondContact O-N 3.29Å; A333-A336 WeakPolarHBondContact O-CB 3.25Å; A333-A336 PolarHBondContact O-N 3.47Å; G334-A336 VanDerWaalsContact C-N 3.28Å; G334-A336 PolarHBondContact O-N 2.71Å; A336-W338 PolarHBondContact O-N 3.03Å; A336-F339 CarbonylContact O-C 3.31Å; A336-F339 WeakPolarHBondContact O-CB 3.39Å; A336-F339 PolarHBondContact O-N 2.99Å; A336-F339 VanDerWaalsContact O-N 3.08Å; A336-S340 PolarHBondContact O-N 3.48Å; A336-S340 PolarHBondContact O-OG 3.37Å |
| 337 | P | 93.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.6 | -38.3 | 175.1 | -28.2 | 32.1 | 0 | 0 | 0 | 114.3 | A38 A213 A217 W218 A333 G334 S340 G341 | A38-P337 VanDerWaalsContact CB-C 3.5Å; A38-P337 HydrophobicContact CB-CB 4.2Å; A38-P337 WeakPolarHBondContact CB-O 3.47Å; A213-P337 HydrophobicContact CB-CG 3.67Å; A217-P337 HydrophobicContact CB-CB 3.82Å; A217-P337 HydrophobicContact CB-CG 4.27Å; W218-P337 PolarHBondContact NE1-O 3.37Å; A333-P337 WeakPolarHBondContact O-CD 3.48Å; G334-P337 WeakPolarHBondContact O-CD 3.13Å; P337-S340 WeakPolarHBondContact O-CB 3.36Å; P337-S340 PolarHBondContact O-N 3.4Å; P337-G341 PolarHBondContact O-N 3.47Å |
| 338 | W | 93.3 | Very high | 94.4 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 41% | 0.413 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 178.3 | 174.9 | 84.8 | 0 | 0 | 0 | 110.6 | A38 L39 L335 A336 G341 V342 | A38-W338 HydrophobicContact CB-CB 4.41Å; L39-W338 HydrophobicContact CD2-CG 4.39Å; L335-W338 PolarHBondContact O-N 3.31Å; A336-W338 PolarHBondContact O-N 3.03Å; W338-G341 PolarHBondContact O-N 3.43Å; W338-V342 HydrophobicContact CD2-CG2 4.47Å; W338-V342 HydrophobicContact CH2-CG2 4.36Å; W338-V342 HydrophobicContact CZ2-CG2 4.16Å; W338-V342 PolarHBondContact O-N 2.86Å |
| 339 | F | 94.5 | Very high | 94.3 | Very high | 78 Ų | 78 | 38.4 Ų | 38.4 | 34% | 0.342 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 173.7 | -169.6 | -111.1 | 0 | 0 | 0 | 111.5 | L335 A336 G341 V342 L343 F356 | L335-F339 PolarHBondContact O-N 2.78Å; A336-F339 CarbonylContact O-C 3.31Å; A336-F339 WeakPolarHBondContact O-CB 3.39Å; A336-F339 PolarHBondContact O-N 2.99Å; A336-F339 VanDerWaalsContact O-N 3.08Å; F339-G341 VanDerWaalsContact C-N 3.27Å; F339-G341 PolarHBondContact O-N 2.9Å; F339-V342 CarbonylContact O-C 3.41Å; F339-V342 WeakPolarHBondContact O-CA 3.36Å; F339-V342 WeakPolarHBondContact O-CB 3.23Å; F339-V342 PolarHBondContact O-N 3.44Å; F339-L343 HydrophobicContact CD1-CD1 3.75Å; F339-L343 HydrophobicContact CD1-CD2 4.4Å; F339-L343 HydrophobicContact CD1-CG 4Å; F339-L343 HydrophobicContact CE1-CD1 3.63Å; F339-L343 HydrophobicContact CE1-CD2 3.77Å; F339-L343 HydrophobicContact CE1-CG 3.85Å; F339-L343 HydrophobicContact CE2-CD2 4.48Å; F339-L343 HydrophobicContact CZ-CD1 4.49Å; F339-L343 HydrophobicContact CZ-CD2 3.81Å; F339-L343 HydrophobicContact CZ-CG 4.28Å; F339-L343 WeakPolarHBondContact O-CG 3.44Å; F339-L343 PolarHBondContact O-N 3.46Å; F339-F356 AromaticContact CD1-CD1 3.96Å; F339-F356 HydrophobicContact CD1-CD1 3.96Å; F339-F356 HydrophobicContact CD1-CD2 4.37Å; F339-F356 AromaticContact CD1-CE1 3.68Å; F339-F356 HydrophobicContact CD1-CE1 3.68Å; F339-F356 HydrophobicContact CD1-CE2 4.11Å; F339-F356 HydrophobicContact CD1-CG 4.3Å; F339-F356 AromaticContact CD1-CZ 3.75Å; F339-F356 HydrophobicContact CD1-CZ 3.75Å; F339-F356 HydrophobicContact CE1-CD1 4.1Å; F339-F356 AromaticContact CE1-CD2 3.72Å; F339-F356 HydrophobicContact CE1-CD2 3.72Å; F339-F356 HydrophobicContact CE1-CE1 4.01Å; F339-F356 AromaticContact CE1-CE2 3.61Å; F339-F356 HydrophobicContact CE1-CE2 3.61Å; F339-F356 AromaticContact CE1-CG 3.96Å; F339-F356 HydrophobicContact CE1-CG 3.96Å; F339-F356 AromaticContact CE1-CZ 3.76Å; F339-F356 HydrophobicContact CE1-CZ 3.76Å |
| 340 | S | 93.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.2 | -41.4 | 172.7 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | S214 W218 A336 P337 L343 R344 D353 | S214-S340 WeakPolarHBondContact CB-OG 3.41Å; S214-S340 PolarHBondContact OG-OG 3.04Å; W218-S340 VanDerWaalsContact CD1-CB 3.43Å; A336-S340 PolarHBondContact O-N 3.48Å; A336-S340 PolarHBondContact O-OG 3.37Å; P337-S340 WeakPolarHBondContact O-CB 3.36Å; P337-S340 PolarHBondContact O-N 3.4Å; S340-L343 PolarHBondContact O-N 3.37Å; S340-R344 VanDerWaalsContact O-CB 3.31Å; S340-R344 WeakPolarHBondContact O-CB 3.34Å; S340-R344 PolarHBondContact O-N 3.24Å; S340-D353 WeakPolarHBondContact CA-OD1 3.29Å; S340-D353 WeakPolarHBondContact CB-OD1 3.4Å; S340-D353 WeakPolarHBondContact CB-OD2 3.17Å; S340-D353 PolarHBondContact OG-OD1 2.94Å; S340-D353 PolarHBondContact OG-OD2 3.24Å |
| 341 | G | 92.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F34 W218 P337 W338 F339 S345 | F34-G341 WeakPolarHBondContact CB-O 3.35Å; W218-G341 VanDerWaalsContact CZ2-CA 3.45Å; P337-G341 PolarHBondContact O-N 3.47Å; W338-G341 PolarHBondContact O-N 3.43Å; F339-G341 VanDerWaalsContact C-N 3.27Å; F339-G341 PolarHBondContact O-N 2.9Å; G341-S345 WeakPolarHBondContact O-CB 3.39Å; G341-S345 PolarHBondContact O-N 3.16Å; G341-S345 VanDerWaalsContact O-N 3.07Å; G341-S345 PolarHBondContact O-OG 2.89Å |
| 342 | V | 94.3 | Very high | 94 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.8 | -47.9 | 172.1 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | S35 W338 F339 R344 S345 I346 | S35-V342 WeakPolarHBondContact OG-CG2 3.39Å; W338-V342 HydrophobicContact CD2-CG2 4.47Å; W338-V342 HydrophobicContact CH2-CG2 4.36Å; W338-V342 HydrophobicContact CZ2-CG2 4.16Å; W338-V342 PolarHBondContact O-N 2.86Å; F339-V342 CarbonylContact O-C 3.41Å; F339-V342 WeakPolarHBondContact O-CA 3.36Å; F339-V342 WeakPolarHBondContact O-CB 3.23Å; F339-V342 PolarHBondContact O-N 3.44Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.06Å; V342-S345 WeakPolarHBondContact O-CB 3.24Å; V342-S345 PolarHBondContact O-N 2.96Å; V342-I346 HydrophobicContact CG1-CD1 3.83Å; V342-I346 WeakPolarHBondContact O-CG1 3.28Å; V342-I346 PolarHBondContact O-N 3.34Å; V342-I346 VanDerWaalsContact O-N 3.09Å |
| 343 | L | 95 | Very high | 93.9 | Very high | 14 Ų | 14 | 40.5 Ų | 40.5 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56 | -49.7 | 177.5 | -64.3 | 177.5 | 0 | 0 | 0 | 110.7 | F339 S340 S345 I346 S347 M352 D353 F356 | F339-L343 HydrophobicContact CD1-CD1 3.75Å; F339-L343 HydrophobicContact CD1-CD2 4.4Å; F339-L343 HydrophobicContact CD1-CG 4Å; F339-L343 HydrophobicContact CE1-CD1 3.63Å; F339-L343 HydrophobicContact CE1-CD2 3.77Å; F339-L343 HydrophobicContact CE1-CG 3.85Å; F339-L343 HydrophobicContact CE2-CD2 4.48Å; F339-L343 HydrophobicContact CZ-CD1 4.49Å; F339-L343 HydrophobicContact CZ-CD2 3.81Å; F339-L343 HydrophobicContact CZ-CG 4.28Å; F339-L343 WeakPolarHBondContact O-CG 3.44Å; F339-L343 PolarHBondContact O-N 3.46Å; S340-L343 PolarHBondContact O-N 3.37Å; L343-S345 VanDerWaalsContact C-N 3.27Å; L343-S345 PolarHBondContact O-N 2.9Å; L343-I346 PolarHBondContact O-N 2.84Å; L343-I346 VanDerWaalsContact O-N 3.16Å; L343-S347 WeakPolarHBondContact O-CB 3.44Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 3.38Å; L343-M352 HydrophobicContact CB-CE 3.95Å; L343-M352 HydrophobicContact CB-CG 4.5Å; L343-M352 HydrophobicContact CD2-CE 3.2Å; L343-M352 HydrophobicContact CD2-CG 4.32Å; L343-M352 HydrophobicContact CG-CE 4.14Å; L343-D353 HydrophobicContact CD1-CB 4.28Å; L343-F356 HydrophobicContact CD1-CB 3.75Å; L343-F356 HydrophobicContact CD1-CD1 4.2Å; L343-F356 HydrophobicContact CD1-CG 4.02Å |
| 344 | R | 93.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 40.4 Ų | 40.4 | 11% | 0.109 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -35.7 | 176.1 | 173.8 | 61.2 | -173.1 | 80.4 | -9.2 | 113 | F34 E225 S340 V342 G348 N349 Y350 | F34-R344 HydrophobicContact CD1-CG 3.7Å; F34-R344 HydrophobicContact CE1-CG 3.67Å; F34-R344 HydrophobicContact CG-CG 4.2Å; F34-R344 HydrophobicContact CZ-CG 4.17Å; E225-R344 IonicContact OE1-CZ 3.35Å; E225-R344 IonicContact OE1-NE 2.96Å; E225-R344 PolarHBondContact OE1-NE 3.4Å; E225-R344 IonicContact OE1-NH2 2.98Å; E225-R344 PolarHBondContact OE1-NH2 2.97Å; E225-R344 IonicContact OE2-CZ 3.98Å; E225-R344 VanDerWaalsContact OE2-CZ 3.24Å; E225-R344 IonicContact OE2-NE 2.79Å; E225-R344 PolarHBondContact OE2-NE 3.34Å; E225-R344 IonicContact OE2-NH2 3.03Å; E225-R344 PolarHBondContact OE2-NH2 3.49Å; S340-R344 VanDerWaalsContact O-CB 3.31Å; S340-R344 WeakPolarHBondContact O-CB 3.34Å; S340-R344 PolarHBondContact O-N 3.24Å; V342-R344 VanDerWaalsContact C-N 3.34Å; V342-R344 PolarHBondContact O-N 3.06Å; R344-G348 VanDerWaalsContact CZ-C 3.44Å; R344-G348 PolarHBondContact NH1-O 2.83Å; R344-G348 PolarHBondContact NH2-O 2.87Å; R344-G348 VanDerWaalsContact NH2-O 3.1Å; R344-G348 WeakPolarHBondContact O-CA 3.47Å; R344-G348 PolarHBondContact O-N 3.47Å; R344-G348 VanDerWaalsContact O-N 3.13Å; R344-N349 VanDerWaalsContact CD-O 3.3Å; R344-N349 WeakPolarHBondContact CD-O 3.31Å; R344-Y350 HydrophobicContact CB-CD1 4.2Å; R344-Y350 HydrophobicContact CB-CE1 4.08Å; R344-Y350 HydrophobicContact CG-CD1 4.06Å; R344-Y350 HydrophobicContact CG-CE1 3.65Å; R344-Y350 HydrophobicContact CG-CE2 4.42Å |
| 345 | S | 92 | Very high | 93.9 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 41% | 0.413 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.8 | -35.9 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 112 | G341 V342 L343 | G341-S345 WeakPolarHBondContact O-CB 3.39Å; G341-S345 PolarHBondContact O-N 3.16Å; G341-S345 VanDerWaalsContact O-N 3.07Å; G341-S345 PolarHBondContact O-OG 2.89Å; V342-S345 WeakPolarHBondContact O-CB 3.24Å; V342-S345 PolarHBondContact O-N 2.96Å; L343-S345 VanDerWaalsContact C-N 3.27Å; L343-S345 PolarHBondContact O-N 2.9Å |
| 346 | I | 93.7 | Very high | 94 | Very high | 126 Ų | 126 | 41.1 Ų | 41.1 | 65% | 0.646 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -81.9 | -44.8 | -178.8 | -62.6 | 167 | 0 | 0 | 0 | 111.3 | V342 L343 | V342-I346 HydrophobicContact CG1-CD1 3.83Å; V342-I346 WeakPolarHBondContact O-CG1 3.28Å; V342-I346 PolarHBondContact O-N 3.34Å; V342-I346 VanDerWaalsContact O-N 3.09Å; L343-I346 PolarHBondContact O-N 2.84Å; L343-I346 VanDerWaalsContact O-N 3.16Å |
| 347 | S | 94.1 | Very high | 94.1 | Very high | 37 Ų | 37 | 40.8 Ų | 40.8 | 26% | 0.259 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -81.7 | -18.4 | -175.4 | 63.1 | 0 | 0 | 0 | 0 | 114 | L343 N349 | L343-S347 WeakPolarHBondContact O-CB 3.44Å; L343-S347 PolarHBondContact O-N 3.44Å; L343-S347 PolarHBondContact O-OG 3.38Å; S347-N349 PolarHBondContact O-N 3.23Å; S347-N349 PolarHBondContact OG-N 3.35Å; S347-N349 PolarHBondContact OG-O 3.34Å |
| 348 | G | 92.2 | Very high | 94.3 | Very high | 42 Ų | 42 | 41.3 Ų | 41.3 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 76 | -2.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R344 | R344-G348 VanDerWaalsContact CZ-C 3.44Å; R344-G348 PolarHBondContact NH1-O 2.83Å; R344-G348 PolarHBondContact NH2-O 2.87Å; R344-G348 VanDerWaalsContact NH2-O 3.1Å; R344-G348 WeakPolarHBondContact O-CA 3.47Å; R344-G348 PolarHBondContact O-N 3.47Å; R344-G348 VanDerWaalsContact O-N 3.13Å |
| 349 | N | 91.9 | Very high | 94.5 | Very high | 60 Ų | 60 | 42 Ų | 42 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -149.4 | 171.9 | -179.8 | 64.2 | 51.2 | 0 | 0 | 0 | 111.8 | R344 S347 L351 | R344-N349 VanDerWaalsContact CD-O 3.3Å; R344-N349 WeakPolarHBondContact CD-O 3.31Å; S347-N349 PolarHBondContact O-N 3.23Å; S347-N349 PolarHBondContact OG-N 3.35Å; S347-N349 PolarHBondContact OG-O 3.34Å; N349-L351 WeakPolarHBondContact OD1-CB 3.38Å; N349-L351 PolarHBondContact OD1-N 3.48Å |
| 350 | Y | 93 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 2% | 0.02 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -87.1 | -1.3 | 179.6 | -64.3 | -82.7 | 0 | 0 | 0 | 114.7 | W218 A221 F222 E225 R344 M352 D353 W354 | W218-Y350 HydrophobicContact CB-CD1 4.03Å; W218-Y350 HydrophobicContact CB-CE1 3.79Å; W218-Y350 AromaticContact CD2-CE1 3.65Å; W218-Y350 HydrophobicContact CD2-CE1 3.65Å; W218-Y350 AromaticContact CE3-CE1 3.35Å; W218-Y350 HydrophobicContact CE3-CE1 3.35Å; W218-Y350 AromaticContact CE3-CZ 3.66Å; W218-Y350 HydrophobicContact CG-CD1 4.35Å; W218-Y350 AromaticContact CG-CE1 3.87Å; W218-Y350 HydrophobicContact CG-CE1 3.87Å; W218-Y350 HydrophobicContact CZ3-CE1 4.07Å; W218-Y350 WeakPolarHBondContact CZ3-OH 3.37Å; A221-Y350 WeakPolarHBondContact CB-OH 3.26Å; F222-Y350 HydrophobicContact CB-CD2 3.8Å; F222-Y350 HydrophobicContact CB-CE2 4.19Å; F222-Y350 HydrophobicContact CB-CG 4.09Å; F222-Y350 AromaticContact CD2-CD2 3.74Å; F222-Y350 HydrophobicContact CD2-CD2 3.74Å; F222-Y350 HydrophobicContact CD2-CG 4.06Å; F222-Y350 HydrophobicContact CG-CD2 4.26Å; F222-Y350 HydrophobicContact CG-CG 4.49Å; E225-Y350 HydrophobicContact CB-CE2 4.42Å; E225-Y350 WeakPolarHBondContact OE2-CE2 3.39Å; R344-Y350 HydrophobicContact CB-CD1 4.2Å; R344-Y350 HydrophobicContact CB-CE1 4.08Å; R344-Y350 HydrophobicContact CG-CD1 4.06Å; R344-Y350 HydrophobicContact CG-CE1 3.65Å; R344-Y350 HydrophobicContact CG-CE2 4.42Å; Y350-M352 VanDerWaalsContact C-N 3.32Å; Y350-M352 PolarHBondContact O-N 2.58Å; Y350-D353 WeakPolarHBondContact O-CB 3.31Å; Y350-D353 PolarHBondContact O-N 3.49Å; Y350-D353 VanDerWaalsContact O-N 3.13Å; Y350-W354 VanDerWaalsContact O-CD1 3.28Å; Y350-W354 PolarHBondContact O-N 3.29Å |
| 351 | L | 93.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 39.4 Ų | 39.4 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.3 | -38.6 | -175.9 | -63.2 | 173.9 | 0 | 0 | 0 | 112 | N349 D353 W354 A355 | N349-L351 WeakPolarHBondContact OD1-CB 3.38Å; N349-L351 PolarHBondContact OD1-N 3.48Å; L351-D353 PolarHBondContact O-N 2.99Å; L351-W354 PolarHBondContact O-N 2.99Å; L351-A355 WeakPolarHBondContact O-CB 3.36Å; L351-A355 PolarHBondContact O-N 3.42Å |
| 352 | M | 94.2 | Very high | 95 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 38% | 0.384 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -33 | 177.1 | -168.3 | 161.8 | 111.6 | 0 | 0 | 112 | L343 Y350 F356 | L343-M352 HydrophobicContact CB-CE 3.95Å; L343-M352 HydrophobicContact CB-CG 4.5Å; L343-M352 HydrophobicContact CD2-CE 3.2Å; L343-M352 HydrophobicContact CD2-CG 4.32Å; L343-M352 HydrophobicContact CG-CE 4.14Å; Y350-M352 VanDerWaalsContact C-N 3.32Å; Y350-M352 PolarHBondContact O-N 2.58Å; M352-F356 WeakPolarHBondContact O-CB 3.1Å; M352-F356 PolarHBondContact O-N 2.99Å |
| 353 | D | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.6 | -48.4 | 175.2 | -178.7 | 46.7 | 0 | 0 | 0 | 112 | S340 L343 Y350 L351 A355 F356 H357 | S340-D353 WeakPolarHBondContact CA-OD1 3.29Å; S340-D353 WeakPolarHBondContact CB-OD1 3.4Å; S340-D353 WeakPolarHBondContact CB-OD2 3.17Å; S340-D353 PolarHBondContact OG-OD1 2.94Å; S340-D353 PolarHBondContact OG-OD2 3.24Å; L343-D353 HydrophobicContact CD1-CB 4.28Å; Y350-D353 WeakPolarHBondContact O-CB 3.31Å; Y350-D353 PolarHBondContact O-N 3.49Å; Y350-D353 VanDerWaalsContact O-N 3.13Å; L351-D353 PolarHBondContact O-N 2.99Å; D353-A355 VanDerWaalsContact C-N 3.26Å; D353-A355 PolarHBondContact O-N 3.5Å; D353-F356 WeakPolarHBondContact O-CB 3.33Å; D353-F356 PolarHBondContact O-N 2.86Å; D353-F356 VanDerWaalsContact O-N 3.11Å; D353-H357 PolarHBondContact O-CD2 2.92Å; D353-H357 VanDerWaalsContact O-CD2 3.3Å; D353-H357 PolarHBondContact O-N 3.12Å; D353-H357 IonicContact OD1-CD2 3.27Å; D353-H357 PolarHBondContact OD1-CD2 3.07Å; D353-H357 IonicContact OD1-NE2 3.59Å; D353-H357 PolarHBondContact OD1-NE2 3.23Å; D353-H357 IonicContact OD2-CD2 3.01Å |
| 354 | W | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -38.4 | 175.4 | -55.6 | 140.9 | 0 | 0 | 0 | 112.1 | L215 W218 L219 F222 F275 F278 I279 Y350 L351 H357 A358 | L215-W354 HydrophobicContact CD2-CE3 4.34Å; L215-W354 HydrophobicContact CD2-CH2 3.61Å; L215-W354 HydrophobicContact CD2-CZ3 3.48Å; L215-W354 VanDerWaalsContact CD2-CZ3 3.48Å; L215-W354 HydrophobicContact CG-CH2 4.39Å; L215-W354 HydrophobicContact CG-CZ3 3.99Å; W218-W354 HydrophobicContact CB-CH2 4.41Å; L219-W354 HydrophobicContact CD1-CZ2 4.44Å; F222-W354 HydrophobicContact CB-CZ2 4.06Å; F222-W354 HydrophobicContact CD1-CZ2 4.22Å; F222-W354 AromaticContact CD1-NE1 3.9Å; F222-W354 AromaticContact CD2-NE1 3.82Å; F222-W354 AromaticContact CE1-NE1 3.92Å; F222-W354 AromaticContact CE2-NE1 3.82Å; F222-W354 HydrophobicContact CG-CZ2 4.11Å; F222-W354 AromaticContact CG-NE1 3.83Å; F222-W354 AromaticContact CZ-NE1 3.86Å; F275-W354 AromaticContact CD1-CE3 3.81Å; F275-W354 HydrophobicContact CD1-CE3 3.81Å; F275-W354 AromaticContact CE1-CE3 3.74Å; F275-W354 HydrophobicContact CE1-CE3 3.74Å; F275-W354 HydrophobicContact CE1-CZ3 4.06Å; F278-W354 HydrophobicContact CB-CD2 4.47Å; F278-W354 HydrophobicContact CB-CG 4.18Å; I279-W354 HydrophobicContact CD1-CB 4.02Å; I279-W354 HydrophobicContact CG1-CB 3.53Å; Y350-W354 VanDerWaalsContact O-CD1 3.28Å; Y350-W354 PolarHBondContact O-N 3.29Å; L351-W354 PolarHBondContact O-N 2.99Å; W354-H357 PolarHBondContact O-N 3.15Å; W354-A358 WeakPolarHBondContact O-CB 3.18Å; W354-A358 PolarHBondContact O-N 2.83Å |
| 355 | A | 96.8 | Very high | 95.4 | Very high | 47 Ų | 47 | 41.2 Ų | 41.2 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I279 L351 D353 H357 A358 L359 | I279-A355 HydrophobicContact CD1-CB 4.38Å; L351-A355 WeakPolarHBondContact O-CB 3.36Å; L351-A355 PolarHBondContact O-N 3.42Å; D353-A355 VanDerWaalsContact C-N 3.26Å; D353-A355 PolarHBondContact O-N 3.5Å; A355-H357 PolarHBondContact O-N 3.5Å; A355-A358 PolarHBondContact O-N 3.39Å; A355-L359 WeakPolarHBondContact O-CB 3.42Å; A355-L359 PolarHBondContact O-N 2.99Å |
| 356 | F | 96.7 | Very high | 95.5 | Very high | 62 Ų | 62 | 43.6 Ų | 43.6 | 27% | 0.272 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 174.1 | 166.5 | -105.1 | 0 | 0 | 0 | 111.6 | F339 L343 M352 D353 L359 C360 | F339-F356 AromaticContact CD1-CD1 3.96Å; F339-F356 HydrophobicContact CD1-CD1 3.96Å; F339-F356 HydrophobicContact CD1-CD2 4.37Å; F339-F356 AromaticContact CD1-CE1 3.68Å; F339-F356 HydrophobicContact CD1-CE1 3.68Å; F339-F356 HydrophobicContact CD1-CE2 4.11Å; F339-F356 HydrophobicContact CD1-CG 4.3Å; F339-F356 AromaticContact CD1-CZ 3.75Å; F339-F356 HydrophobicContact CD1-CZ 3.75Å; F339-F356 HydrophobicContact CE1-CD1 4.1Å; F339-F356 AromaticContact CE1-CD2 3.72Å; F339-F356 HydrophobicContact CE1-CD2 3.72Å; F339-F356 HydrophobicContact CE1-CE1 4.01Å; F339-F356 AromaticContact CE1-CE2 3.61Å; F339-F356 HydrophobicContact CE1-CE2 3.61Å; F339-F356 AromaticContact CE1-CG 3.96Å; F339-F356 HydrophobicContact CE1-CG 3.96Å; F339-F356 AromaticContact CE1-CZ 3.76Å; F339-F356 HydrophobicContact CE1-CZ 3.76Å; L343-F356 HydrophobicContact CD1-CB 3.75Å; L343-F356 HydrophobicContact CD1-CD1 4.2Å; L343-F356 HydrophobicContact CD1-CG 4.02Å; M352-F356 WeakPolarHBondContact O-CB 3.1Å; M352-F356 PolarHBondContact O-N 2.99Å; D353-F356 WeakPolarHBondContact O-CB 3.33Å; D353-F356 PolarHBondContact O-N 2.86Å; D353-F356 VanDerWaalsContact O-N 3.11Å; F356-L359 PolarHBondContact O-N 2.88Å; F356-C360 VanDerWaalsContact CZ-SG 3.55Å; F356-C360 PolarHBondContact O-N 3.1Å; F356-C360 PolarHBondContact O-SG 2.97Å |
| 357 | H | 97 | Very high | 95.5 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.9 | -77.3 | -63.9 | 0 | 0 | 0 | 113 | G210 G211 S214 F275 D353 W354 A355 L359 C360 V361 | G210-H357 PolarHBondContact O-CE1 3.22Å; G211-H357 WeakPolarHBondContact CA-ND1 3.29Å; S214-H357 WeakPolarHBondContact CB-NE2 3.48Å; S214-H357 PolarHBondContact OG-CE1 2.86Å; S214-H357 PolarHBondContact OG-NE2 3.12Å; F275-H357 HydrophobicContact CD1-CB 3.91Å; F275-H357 HydrophobicContact CD2-CB 4.15Å; F275-H357 HydrophobicContact CE1-CB 3.61Å; F275-H357 HydrophobicContact CE2-CB 3.87Å; F275-H357 HydrophobicContact CG-CB 4.19Å; F275-H357 HydrophobicContact CZ-CB 3.6Å; D353-H357 PolarHBondContact O-CD2 2.92Å; D353-H357 VanDerWaalsContact O-CD2 3.3Å; D353-H357 PolarHBondContact O-N 3.12Å; D353-H357 IonicContact OD1-CD2 3.27Å; D353-H357 PolarHBondContact OD1-CD2 3.07Å; D353-H357 IonicContact OD1-NE2 3.59Å; D353-H357 PolarHBondContact OD1-NE2 3.23Å; D353-H357 IonicContact OD2-CD2 3.01Å; W354-H357 PolarHBondContact O-N 3.15Å; A355-H357 PolarHBondContact O-N 3.5Å; H357-L359 VanDerWaalsContact C-N 3.31Å; H357-L359 PolarHBondContact O-N 3.23Å; H357-C360 WeakPolarHBondContact O-CB 3.22Å; H357-C360 PolarHBondContact O-N 2.96Å; H357-V361 WeakPolarHBondContact O-CG2 3.5Å; H357-V361 PolarHBondContact O-N 2.94Å |
| 358 | A | 97.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 38 Ų | 38 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L272 F275 I279 W354 A355 V361 V362 | L272-A358 HydrophobicContact CD1-CB 3.9Å; F275-A358 HydrophobicContact CB-CB 4.14Å; I279-A358 HydrophobicContact CD1-CB 4.39Å; W354-A358 WeakPolarHBondContact O-CB 3.18Å; W354-A358 PolarHBondContact O-N 2.83Å; A355-A358 PolarHBondContact O-N 3.39Å; A358-V361 WeakPolarHBondContact O-CB 3.44Å; A358-V361 PolarHBondContact O-N 3.47Å; A358-V362 WeakPolarHBondContact O-CG2 3.45Å; A358-V362 PolarHBondContact O-N 3.02Å |
| 359 | L | 97.2 | Very high | 95.4 | Very high | 123 Ų | 123 | 41.1 Ų | 41.1 | 64% | 0.644 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -63.7 | -42.1 | 175.6 | -177.5 | 64.6 | 0 | 0 | 0 | 112 | A355 F356 H357 V361 V362 G363 | A355-L359 WeakPolarHBondContact O-CB 3.42Å; A355-L359 PolarHBondContact O-N 2.99Å; F356-L359 PolarHBondContact O-N 2.88Å; H357-L359 VanDerWaalsContact C-N 3.31Å; H357-L359 PolarHBondContact O-N 3.23Å; L359-V361 VanDerWaalsContact C-N 3.3Å; L359-V361 PolarHBondContact O-N 3.13Å; L359-V362 PolarHBondContact O-N 3.43Å; L359-G363 PolarHBondContact O-N 3.36Å |
| 360 | C | 97.1 | Very high | 95.2 | Very high | 19 Ų | 19 | 46.3 Ų | 46.3 | 13% | 0.128 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 173.2 | -69.9 | 0 | 0 | 0 | 0 | 111.2 | F356 H357 V362 G363 L364 | F356-C360 VanDerWaalsContact CZ-SG 3.55Å; F356-C360 PolarHBondContact O-N 3.1Å; F356-C360 PolarHBondContact O-SG 2.97Å; H357-C360 WeakPolarHBondContact O-CB 3.22Å; H357-C360 PolarHBondContact O-N 2.96Å; C360-V362 PolarHBondContact O-N 2.99Å; C360-G363 PolarHBondContact O-N 3.46Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 WeakPolarHBondContact O-CD1 3.31Å; C360-L364 WeakPolarHBondContact O-CG 3.23Å; C360-L364 PolarHBondContact O-N 3.38Å |
| 361 | V | 97.5 | Very high | 94.8 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -41.7 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | L268 Q271 L272 F275 H357 A358 L359 L364 M365 | L268-V361 HydrophobicContact CB-CG1 4.13Å; L268-V361 HydrophobicContact CD2-CG1 4.2Å; L268-V361 WeakPolarHBondContact O-CG1 3.35Å; Q271-V361 HydrophobicContact CB-CG1 4.38Å; Q271-V361 HydrophobicContact CB-CG2 4.04Å; L272-V361 HydrophobicContact CB-CG1 3.81Å; L272-V361 HydrophobicContact CD1-CG1 4.42Å; F275-V361 HydrophobicContact CD2-CG2 4.24Å; F275-V361 HydrophobicContact CE2-CG2 4.2Å; H357-V361 WeakPolarHBondContact O-CG2 3.5Å; H357-V361 PolarHBondContact O-N 2.94Å; A358-V361 WeakPolarHBondContact O-CB 3.44Å; A358-V361 PolarHBondContact O-N 3.47Å; L359-V361 VanDerWaalsContact C-N 3.3Å; L359-V361 PolarHBondContact O-N 3.13Å; V361-L364 WeakPolarHBondContact O-CB 3.44Å; V361-L364 PolarHBondContact O-N 2.84Å; V361-M365 HydrophobicContact CG1-CE 4Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.02Å |
| 362 | V | 97.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 38% | 0.376 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -44.8 | 174.1 | 174 | 0 | 0 | 0 | 0 | 111.4 | L272 A358 L359 C360 L364 M365 I366 | L272-V362 HydrophobicContact CD1-CG2 4.1Å; L272-V362 HydrophobicContact CD2-CG2 4.25Å; A358-V362 WeakPolarHBondContact O-CG2 3.45Å; A358-V362 PolarHBondContact O-N 3.02Å; L359-V362 PolarHBondContact O-N 3.43Å; C360-V362 PolarHBondContact O-N 2.99Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.08Å; V362-M365 WeakPolarHBondContact O-CB 3.32Å; V362-M365 PolarHBondContact O-N 3.27Å; V362-I366 PolarHBondContact O-N 2.99Å |
| 363 | G | 97 | Very high | 93.1 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 31% | 0.309 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L359 C360 I366 I367 | L359-G363 PolarHBondContact O-N 3.36Å; C360-G363 PolarHBondContact O-N 3.46Å; G363-I366 WeakPolarHBondContact O-CB 3.15Å; G363-I366 PolarHBondContact O-N 2.94Å; G363-I367 WeakPolarHBondContact O-CG1 3.33Å; G363-I367 PolarHBondContact O-N 3.39Å; G363-I367 VanDerWaalsContact O-N 3.08Å |
| 364 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 175.2 | -74.5 | 163.1 | 0 | 0 | 0 | 111.8 | Y204 L207 I208 L268 C360 V361 V362 I366 I367 T368 | Y204-L364 HydrophobicContact CD2-CD2 3.23Å; Y204-L364 HydrophobicContact CD2-CG 4.5Å; Y204-L364 HydrophobicContact CE2-CB 4.17Å; Y204-L364 HydrophobicContact CE2-CD2 3.61Å; Y204-L364 HydrophobicContact CG-CD2 3.88Å; L207-L364 HydrophobicContact CB-CD1 3.94Å; L207-L364 HydrophobicContact CB-CD2 3.97Å; L207-L364 HydrophobicContact CB-CG 4.16Å; L207-L364 HydrophobicContact CD1-CD2 4.42Å; I208-L364 HydrophobicContact CB-CD1 4.36Å; I208-L364 HydrophobicContact CD1-CD2 4.33Å; I208-L364 HydrophobicContact CG1-CD1 3.46Å; I208-L364 VanDerWaalsContact CG1-CD1 3.46Å; I208-L364 HydrophobicContact CG1-CD2 3.9Å; I208-L364 HydrophobicContact CG1-CG 4.23Å; L268-L364 HydrophobicContact CD1-CB 4.11Å; L268-L364 HydrophobicContact CD2-CB 3.85Å; L268-L364 HydrophobicContact CD2-CD1 4.12Å; C360-L364 WeakPolarHBondContact O-CB 3.35Å; C360-L364 WeakPolarHBondContact O-CD1 3.31Å; C360-L364 WeakPolarHBondContact O-CG 3.23Å; C360-L364 PolarHBondContact O-N 3.38Å; V361-L364 WeakPolarHBondContact O-CB 3.44Å; V361-L364 PolarHBondContact O-N 2.84Å; V362-L364 VanDerWaalsContact C-N 3.3Å; V362-L364 PolarHBondContact O-N 3.08Å; L364-I366 VanDerWaalsContact C-N 3.25Å; L364-I366 PolarHBondContact O-N 3.06Å; L364-I367 CarbonylContact O-C 3.55Å; L364-I367 WeakPolarHBondContact O-CA 3.2Å; L364-I367 PolarHBondContact O-N 3.47Å; L364-T368 PolarHBondContact O-N 2.85Å; L364-T368 PolarHBondContact O-OG1 3.15Å |
| 365 | M | 96.9 | Very high | 90.1 | Very high | 27 Ų | 27 | 54.3 Ų | 54.3 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.6 | -41.2 | 175.5 | -70.9 | 176.7 | 179 | 0 | 0 | 111.7 | M265 L268 V269 L272 V361 V362 T368 | M265-M365 HydrophobicContact CE-CB 3.94Å; M265-M365 HydrophobicContact CE-CG 3.96Å; M265-M365 HydrophobicContact CE-SD 4.26Å; M265-M365 HydrophobicContact SD-CB 3.88Å; M265-M365 HydrophobicContact SD-CG 4.01Å; L268-M365 VanDerWaalsContact C-CE 3.44Å; L268-M365 HydrophobicContact CB-CE 3.78Å; L268-M365 HydrophobicContact CB-CG 3.85Å; L268-M365 HydrophobicContact CD1-CB 4.45Å; L268-M365 HydrophobicContact CD1-CG 3.86Å; L268-M365 HydrophobicContact CG-CG 4.47Å; V269-M365 HydrophobicContact CB-CE 4.27Å; V269-M365 HydrophobicContact CG2-CE 3.65Å; L272-M365 HydrophobicContact CB-CE 4.14Å; L272-M365 HydrophobicContact CD2-CE 3.9Å; V361-M365 HydrophobicContact CG1-CE 4Å; V361-M365 WeakPolarHBondContact O-CG 3.41Å; V361-M365 PolarHBondContact O-N 3.02Å; V362-M365 WeakPolarHBondContact O-CB 3.32Å; V362-M365 PolarHBondContact O-N 3.27Å; M365-T368 WeakPolarHBondContact O-CB 3.31Å; M365-T368 PolarHBondContact O-N 3.22Å |
| 366 | I | 95.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 52.7 Ų | 52.7 | 56% | 0.559 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.6 | -43.7 | 175.9 | -61 | 167.8 | 0 | 0 | 0 | 110.6 | V362 G363 L364 T368 L369 | V362-I366 PolarHBondContact O-N 2.99Å; G363-I366 WeakPolarHBondContact O-CB 3.15Å; G363-I366 PolarHBondContact O-N 2.94Å; L364-I366 VanDerWaalsContact C-N 3.25Å; L364-I366 PolarHBondContact O-N 3.06Å; I366-T368 VanDerWaalsContact C-N 3.32Å; I366-T368 PolarHBondContact O-N 2.64Å; I366-L369 WeakPolarHBondContact O-CB 3.42Å; I366-L369 PolarHBondContact O-N 3.11Å |
| 367 | I | 93.6 | Very high | 86.8 | Confident | 46 Ų | 46 | 54 Ų | 54 | 24% | 0.236 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -37.8 | 177.2 | -63.9 | 167.8 | 0 | 0 | 0 | 110.9 | T200 Y204 G363 L364 L369 R370 F371 | T200-I367 HydrophobicContact CG2-CG2 4.22Å; Y204-I367 HydrophobicContact CD2-CB 4.05Å; Y204-I367 HydrophobicContact CD2-CG2 3.64Å; Y204-I367 HydrophobicContact CE2-CB 4.38Å; Y204-I367 HydrophobicContact CE2-CG2 4.26Å; Y204-I367 HydrophobicContact CG-CG2 4.46Å; G363-I367 WeakPolarHBondContact O-CG1 3.33Å; G363-I367 PolarHBondContact O-N 3.39Å; G363-I367 VanDerWaalsContact O-N 3.08Å; L364-I367 CarbonylContact O-C 3.55Å; L364-I367 WeakPolarHBondContact O-CA 3.2Å; L364-I367 PolarHBondContact O-N 3.47Å; I367-L369 PolarHBondContact O-N 3.42Å; I367-L369 VanDerWaalsContact O-N 3.15Å; I367-R370 WeakPolarHBondContact O-CB 3.18Å; I367-R370 PolarHBondContact O-N 3.4Å; I367-F371 HydrophobicContact CG2-CE2 3.88Å; I367-F371 HydrophobicContact CG2-CZ 3.9Å |
| 368 | T | 93.7 | Very high | 84.8 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55 | -35.4 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 112 | Y204 R261 L264 M265 L268 L364 M365 I366 R370 F371 | Y204-T368 WeakPolarHBondContact CE2-OG1 3.47Å; Y204-T368 PolarHBondContact OH-OG1 3.23Å; R261-T368 HydrophobicContact CB-CG2 4.13Å; R261-T368 WeakPolarHBondContact CD-O 3.38Å; R261-T368 HydrophobicContact CG-CG2 4.25Å; R261-T368 WeakPolarHBondContact CG-O 3.22Å; L264-T368 HydrophobicContact CB-CG2 3.74Å; L264-T368 HydrophobicContact CD1-CG2 4.26Å; M265-T368 HydrophobicContact CG-CG2 4.11Å; M265-T368 HydrophobicContact SD-CG2 4.17Å; L268-T368 VanDerWaalsContact CD1-OG1 3.26Å; L268-T368 WeakPolarHBondContact CD1-OG1 3.49Å; L364-T368 PolarHBondContact O-N 2.85Å; L364-T368 PolarHBondContact O-OG1 3.15Å; M365-T368 WeakPolarHBondContact O-CB 3.31Å; M365-T368 PolarHBondContact O-N 3.22Å; I366-T368 VanDerWaalsContact C-N 3.32Å; I366-T368 PolarHBondContact O-N 2.64Å; T368-R370 PolarHBondContact O-N 3.41Å; T368-F371 PolarHBondContact O-N 3.33Å; T368-F371 VanDerWaalsContact O-N 3.11Å |
| 369 | L | 90.3 | Very high | 82.9 | Confident | 107 Ų | 107 | 63.5 Ų | 63.5 | 56% | 0.56 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.8 | -27.5 | 177.7 | -56.6 | 177.4 | 0 | 0 | 0 | 112.7 | R261 I366 I367 F371 | R261-L369 PolarHBondContact NH1-O 3.02Å; I366-L369 WeakPolarHBondContact O-CB 3.42Å; I366-L369 PolarHBondContact O-N 3.11Å; I367-L369 PolarHBondContact O-N 3.42Å; I367-L369 VanDerWaalsContact O-N 3.15Å; L369-F371 VanDerWaalsContact C-N 3.28Å; L369-F371 PolarHBondContact O-N 2.88Å |
| 370 | R | 87.5 | Confident | 81.1 | Confident | 169 Ų | 169 | 58.6 Ų | 58.6 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -4.4 | 178 | -59.4 | -170.2 | 174 | -166.3 | -0.5 | 114.2 | R197 I367 T368 A372 | R197-R370 PolarHBondContact NH1-O 3.14Å; R197-R370 VanDerWaalsContact NH1-O 3.14Å; R197-R370 PolarHBondContact NH2-O 3.42Å; I367-R370 WeakPolarHBondContact O-CB 3.18Å; I367-R370 PolarHBondContact O-N 3.4Å; T368-R370 PolarHBondContact O-N 3.41Å; R370-A372 VanDerWaalsContact C-N 3.29Å; R370-A372 PolarHBondContact O-N 3.2Å |
| 371 | F | 85.2 | Confident | 79 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 33% | 0.33 | C | S | . | . | trans | -91.9 | 35.4 | 177.7 | -62.5 | -53 | 0 | 0 | 0 | 113.5 | T200 L201 Y204 R261 L307 I367 T368 L369 P373 F376 | T200-F371 HydrophobicContact CG2-CE1 4.17Å; T200-F371 HydrophobicContact CG2-CZ 4.12Å; L201-F371 HydrophobicContact CD2-CD1 4.43Å; L201-F371 HydrophobicContact CD2-CE1 3.74Å; L201-F371 HydrophobicContact CD2-CZ 4.05Å; L201-F371 HydrophobicContact CG-CE1 4.43Å; Y204-F371 AromaticContact CD1-CE2 3.9Å; Y204-F371 HydrophobicContact CD1-CE2 3.9Å; Y204-F371 HydrophobicContact CD1-CZ 4.29Å; Y204-F371 AromaticContact CD2-CE2 3.66Å; Y204-F371 HydrophobicContact CD2-CE2 3.66Å; Y204-F371 HydrophobicContact CD2-CZ 4.18Å; Y204-F371 AromaticContact CE1-CE2 3.96Å; Y204-F371 HydrophobicContact CE1-CE2 3.96Å; Y204-F371 AromaticContact CE2-CE2 3.74Å; Y204-F371 HydrophobicContact CE2-CE2 3.74Å; Y204-F371 AromaticContact CG-CE2 3.75Å; Y204-F371 HydrophobicContact CG-CE2 3.75Å; Y204-F371 AromaticContact CG-CZ 3.98Å; Y204-F371 HydrophobicContact CG-CZ 3.98Å; Y204-F371 AromaticContact CZ-CE2 3.89Å; R261-F371 HydrophobicContact CG-CB 4.34Å; L307-F371 HydrophobicContact CD1-CB 4.02Å; L307-F371 HydrophobicContact CD1-CG 4.28Å; L307-F371 HydrophobicContact CD2-CB 4.29Å; L307-F371 HydrophobicContact CD2-CD1 4.03Å; L307-F371 HydrophobicContact CD2-CD2 3.67Å; L307-F371 HydrophobicContact CD2-CE1 4.29Å; L307-F371 HydrophobicContact CD2-CE2 3.94Å; L307-F371 HydrophobicContact CD2-CG 3.75Å; L307-F371 HydrophobicContact CD2-CZ 4.26Å; I367-F371 HydrophobicContact CG2-CE2 3.88Å; I367-F371 HydrophobicContact CG2-CZ 3.9Å; T368-F371 PolarHBondContact O-N 3.33Å; T368-F371 VanDerWaalsContact O-N 3.11Å; L369-F371 VanDerWaalsContact C-N 3.28Å; L369-F371 PolarHBondContact O-N 2.88Å; F371-P373 WeakPolarHBondContact O-CD 3.46Å; F371-F376 WeakPolarHBondContact O-CZ 3.41Å | ||
| 372 | A | 79.9 | Confident | 76.6 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 16% | 0.157 | 37% | 0.368 | C | S | . | . | trans | -63.2 | 124.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R370 V374 R375 | R370-A372 VanDerWaalsContact C-N 3.29Å; R370-A372 PolarHBondContact O-N 3.2Å; A372-V374 PolarHBondContact O-N 2.83Å; A372-V374 VanDerWaalsContact O-N 3.11Å; A372-R375 PolarHBondContact O-N 3.2Å; A372-R375 VanDerWaalsContact O-N 3.08Å | ||
| 373 | P | 71 | Confident | 74.2 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -58.1 | -29.3 | -173.8 | -26.5 | 33.2 | 0 | 0 | 0 | 115.5 | D259 F371 R375 F376 | D259-P373 HydrophobicContact CB-CG 4.03Å; F371-P373 WeakPolarHBondContact O-CD 3.46Å; P373-R375 PolarHBondContact O-N 3.13Å; P373-F376 VanDerWaalsContact CA-CE2 3.43Å; P373-F376 HydrophobicContact CB-CD2 4.03Å; P373-F376 HydrophobicContact CB-CE2 3.8Å; P373-F376 HydrophobicContact CG-CE2 4.13Å; P373-F376 PolarHBondContact O-N 3.37Å |
| 374 | V | 62.5 | Low | 71.8 | Confident | 125 Ų | 125 | 78 Ų | 78 | 76% | 0.758 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -54.2 | -23.6 | 177.7 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | A372 | A372-V374 PolarHBondContact O-N 2.83Å; A372-V374 VanDerWaalsContact O-N 3.11Å |
| 375 | R | 64.4 | Low | 70.5 | Confident | 151 Ų | 151 | 82 Ų | 82 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -93.8 | -4.5 | -178.4 | -60.7 | -176 | -178.6 | -177.7 | 0 | 114.7 | A372 P373 L379 | A372-R375 PolarHBondContact O-N 3.2Å; A372-R375 VanDerWaalsContact O-N 3.08Å; P373-R375 PolarHBondContact O-N 3.13Å; R375-L379 WeakPolarHBondContact O-CD1 3.49Å |
| 376 | F | 68 | Low | 69.1 | Low | 12 Ų | 12 | 84.8 Ų | 84.8 | 5% | 0.053 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -71.8 | -49.4 | -174.4 | -58.2 | -32.5 | 0 | 0 | 0 | 114 | L307 D310 H311 F371 P373 Q378 L379 | L307-F376 HydrophobicContact CD1-CE1 4.22Å; L307-F376 HydrophobicContact CD1-CE2 4.33Å; L307-F376 HydrophobicContact CD1-CZ 3.56Å; D310-F376 HydrophobicContact CB-CE2 4.42Å; H311-F376 AromaticContact CD2-CD1 3.63Å; H311-F376 AromaticContact CE1-CD1 3.67Å; H311-F376 AromaticContact CE1-CE1 3.31Å; H311-F376 WeakPolarHBondContact CE1-CE1 3.41Å; H311-F376 AromaticContact CE1-CZ 3.89Å; H311-F376 AromaticContact ND1-CE1 3.99Å; H311-F376 AromaticContact NE2-CD1 3.38Å; H311-F376 WeakPolarHBondContact NE2-CD1 3.25Å; H311-F376 AromaticContact NE2-CE1 3.35Å; H311-F376 VanDerWaalsContact NE2-CE1 3.35Å; H311-F376 WeakPolarHBondContact NE2-CE1 3.45Å; F371-F376 WeakPolarHBondContact O-CZ 3.41Å; P373-F376 VanDerWaalsContact CA-CE2 3.43Å; P373-F376 HydrophobicContact CB-CD2 4.03Å; P373-F376 HydrophobicContact CB-CE2 3.8Å; P373-F376 HydrophobicContact CG-CE2 4.13Å; P373-F376 PolarHBondContact O-N 3.37Å; F376-Q378 VanDerWaalsContact C-N 3.32Å; F376-Q378 PolarHBondContact O-N 3.33Å; F376-L379 PolarHBondContact O-N 2.82Å |
| 377 | P | 56.9 | Low | 67.7 | Low | 90 Ų | 90 | 83.5 Ų | 83.5 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -69.5 | -27.2 | -171.5 | -19.8 | 33.7 | 0 | 0 | 0 | 113.8 | L379 V381 | P377-L379 PolarHBondContact O-N 3.46Å; P377-V381 WeakPolarHBondContact O-CG2 3.48Å |
| 378 | Q | 55.8 | Low | 66.2 | Low | 146 Ų | 146 | 85.7 Ų | 85.7 | 68% | 0.682 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -70.6 | -17.1 | -176.1 | -67.1 | -179.9 | -10 | 0 | 0 | 113.8 | F376 | F376-Q378 VanDerWaalsContact C-N 3.32Å; F376-Q378 PolarHBondContact O-N 3.33Å |
| 379 | L | 57.4 | Low | 64.4 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 36% | 0.361 | 47% | 0.473 | S | S | . | . | G | 310 helix | trans | -85.6 | -27 | -171.8 | -69.4 | 168.6 | 0 | 0 | 0 | 113.5 | R197 R375 F376 P377 | R197-L379 HydrophobicContact CB-CD1 4.28Å; R197-L379 HydrophobicContact CG-CD1 4.02Å; R375-L379 WeakPolarHBondContact O-CD1 3.49Å; F376-L379 PolarHBondContact O-N 2.82Å; P377-L379 PolarHBondContact O-N 3.46Å |
| 380 | W | 58.4 | Low | 62.7 | Low | 20 Ų | 20 | 90 Ų | 90 | 8% | 0.076 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -11.5 | -172.7 | -61.5 | 80.5 | 0 | 0 | 0 | 113.6 | V190 V192 H311 I317 L321 K382 E383 A384 | V190-W380 HydrophobicContact CG1-CZ3 3.93Å; V192-W380 HydrophobicContact CG1-CH2 4.47Å; V192-W380 HydrophobicContact CG2-CH2 4.13Å; V192-W380 HydrophobicContact CG2-CZ3 4.28Å; H311-W380 PolarHBondContact O-NE1 3.11Å; I317-W380 HydrophobicContact CG2-CD2 4.09Å; I317-W380 HydrophobicContact CG2-CE3 3.28Å; I317-W380 HydrophobicContact CG2-CH2 3.83Å; I317-W380 HydrophobicContact CG2-CZ3 3.13Å; L321-W380 HydrophobicContact CB-CH2 4.24Å; L321-W380 HydrophobicContact CB-CZ2 4.47Å; L321-W380 HydrophobicContact CD1-CH2 3.98Å; L321-W380 HydrophobicContact CD1-CZ2 3.89Å; L321-W380 HydrophobicContact CD2-CH2 4.19Å; L321-W380 HydrophobicContact CD2-CZ2 3.61Å; L321-W380 HydrophobicContact CG-CH2 4.37Å; L321-W380 HydrophobicContact CG-CZ2 4.2Å; W380-K382 PolarHBondContact O-N 3.28Å; W380-E383 PolarHBondContact O-N 3.02Å; W380-A384 PolarHBondContact O-N 3.36Å |
| 381 | V | 52.8 | Low | 60.9 | Low | 112 Ų | 112 | 84.4 Ų | 84.4 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -15.7 | 172.8 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | P377 | P377-V381 WeakPolarHBondContact O-CG2 3.48Š|
| 382 | K | 48.2 | Very low | 59.1 | Low | 190 Ų | 190 | 90.8 Ų | 90.8 | 83% | 0.826 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -9.5 | 174.9 | -76.3 | -174.4 | 172.5 | -175.7 | 0 | 114.2 | W380 | W380-K382 PolarHBondContact O-N 3.28Š|
| 383 | E | 47 | Very low | 57.3 | Low | 102 Ų | 102 | 96.8 Ų | 96.8 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -4 | -178 | -67.7 | -176 | 174.3 | 0 | 0 | 113.4 | T195 W380 | T195-E383 PolarHBondContact OG1-OE2 3.33Å; T195-E383 VanDerWaalsContact OG1-OE2 3.07Å; W380-E383 PolarHBondContact O-N 3.02Å |
| 384 | A | 45.8 | Very low | 56.1 | Low | 119 Ų | 119 | 103.3 Ų | 103.3 | 98% | 0.983 | 55% | 0.55 | S | S | * | . | trans | -100.9 | 0 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | W380 | W380-A384 PolarHBondContact O-N 3.36Š|
Retrieved 384 of 384 residues in 2843.2 ms
(Link to these results)