| 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 | 57.2 | Low | 82.4 | Confident | 90 Ų | 90 | 23.4 Ų | 23.4 | 44% | 0.443 | 13% | 0.132 | S | C | . | . | 0 | 133 | 0 | -167.6 | 173.4 | -74.7 | 0 | 0 | 106.5 | T3 E5 L6 L220 | M1-T3 PolarHBondContact O-N 2.99Å; M1-E5 HydrophobicContact CG-CB 4.29Å; M1-L6 HydrophobicContact SD-CD1 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.7Å; M1-L6 HydrophobicContact SD-CG 3.83Å; M1-L220 HydrophobicContact CE-CD2 3.22Å; M1-L220 HydrophobicContact CE-CG 3.7Å; M1-L220 HydrophobicContact SD-CD2 3.87Å | |||
| 2 | W | 61.5 | Low | 83.1 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 6% | 0.057 | 13% | 0.134 | C | C | . | . | trans | -64.5 | 121 | 170.8 | 170.3 | 50.7 | 0 | 0 | 0 | 107.1 | P4 E5 I8 F26 T31 M87 Q91 F94 L95 I178 | W2-P4 VanDerWaalsContact C-CD 3.4Å; W2-P4 VanDerWaalsContact C-N 3.28Å; W2-P4 VanDerWaalsContact CD1-CD 3.44Å; W2-P4 HydrophobicContact CD2-CB 4.47Å; W2-P4 HydrophobicContact CD2-CG 4.33Å; W2-P4 HydrophobicContact CH2-CB 4.35Å; W2-P4 HydrophobicContact CZ2-CB 4.03Å; W2-P4 HydrophobicContact CZ2-CG 3.91Å; W2-P4 VanDerWaalsContact O-N 3.13Å; W2-E5 HydrophobicContact CB-CG 4.01Å; W2-E5 WeakPolarHBondContact CB-OE1 3.31Å; W2-E5 HydrophobicContact CD2-CG 4.21Å; W2-E5 HydrophobicContact CE3-CG 3.48Å; W2-E5 VanDerWaalsContact CE3-CG 3.48Å; W2-E5 HydrophobicContact CG-CG 4.47Å; W2-E5 HydrophobicContact CZ3-CG 4.28Å; W2-E5 PolarHBondContact N-OE1 3.48Å; W2-E5 VanDerWaalsContact N-OE1 3.12Å; W2-E5 WeakPolarHBondContact O-CB 3.47Å; W2-E5 WeakPolarHBondContact O-CG 3.46Å; W2-E5 PolarHBondContact O-N 3.28Å; W2-I8 HydrophobicContact CH2-CD1 3.76Å; W2-I8 HydrophobicContact CZ3-CD1 3.59Å; W2-F26 HydrophobicContact CZ2-CZ 4.23Å; W2-F26 AromaticContact NE1-CZ 3.68Å; W2-T31 HydrophobicContact CH2-CG2 4.46Å; W2-T31 HydrophobicContact CZ2-CG2 3.83Å; W2-M87 HydrophobicContact CB-CE 4.21Å; W2-Q91 HydrophobicContact CD2-CG 3.81Å; W2-Q91 HydrophobicContact CE3-CG 4Å; W2-Q91 HydrophobicContact CG-CG 4.36Å; W2-Q91 HydrophobicContact CH2-CB 4.13Å; W2-Q91 HydrophobicContact CH2-CG 4.19Å; W2-Q91 HydrophobicContact CZ2-CB 4.1Å; W2-Q91 HydrophobicContact CZ2-CG 3.96Å; W2-Q91 HydrophobicContact CZ3-CB 4.44Å; W2-Q91 HydrophobicContact CZ3-CG 4.21Å; W2-Q91 VanDerWaalsContact NE1-NE2 3.19Å; W2-F94 AromaticContact CZ3-CD1 3.95Å; W2-F94 HydrophobicContact CZ3-CD1 3.95Å; W2-F94 HydrophobicContact CZ3-CE1 4.16Å; W2-L95 HydrophobicContact CH2-CD1 4.01Å; W2-L95 HydrophobicContact CH2-CD2 4.01Å; W2-L95 HydrophobicContact CH2-CG 4Å; W2-I178 HydrophobicContact CE3-CD1 4.08Å | ||
| 3 | T | 70.3 | Confident | 83.6 | Confident | 66 Ų | 66 | 23.6 Ų | 23.6 | 41% | 0.405 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -38.8 | -167.3 | 8.9 | 0 | 0 | 0 | 0 | 114.1 | M1 E5 | M1-T3 PolarHBondContact O-N 2.99Å; T3-E5 PolarHBondContact O-N 2.93Å |
| 4 | P | 84.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -12.4 | 177.9 | -23.3 | 36.7 | 0 | 0 | 0 | 117.2 | W2 L6 A7 I8 W21 F26 L35 | W2-P4 VanDerWaalsContact C-CD 3.4Å; W2-P4 VanDerWaalsContact C-N 3.28Å; W2-P4 VanDerWaalsContact CD1-CD 3.44Å; W2-P4 HydrophobicContact CD2-CB 4.47Å; W2-P4 HydrophobicContact CD2-CG 4.33Å; W2-P4 HydrophobicContact CH2-CB 4.35Å; W2-P4 HydrophobicContact CZ2-CB 4.03Å; W2-P4 HydrophobicContact CZ2-CG 3.91Å; W2-P4 VanDerWaalsContact O-N 3.13Å; P4-L6 PolarHBondContact O-N 3.24Å; P4-A7 PolarHBondContact O-N 3.12Å; P4-A7 VanDerWaalsContact O-N 3.08Å; P4-I8 HydrophobicContact CB-CD1 4.49Å; P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 2.8Å; P4-W21 HydrophobicContact CB-CZ2 3.94Å; P4-W21 HydrophobicContact CG-CZ2 4.18Å; P4-F26 HydrophobicContact CG-CE1 4.31Å; P4-F26 HydrophobicContact CG-CZ 4.24Å; P4-L35 HydrophobicContact CB-CD1 3.87Å; P4-L35 HydrophobicContact CB-CD2 3.54Å; P4-L35 HydrophobicContact CB-CG 4.37Å; P4-L35 HydrophobicContact CG-CD2 3.63Å |
| 5 | E | 88.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -37.9 | -174.3 | -71.6 | -173.2 | -120.3 | 0 | 0 | 113 | M1 W2 T3 I8 L9 Q179 S180 | M1-E5 HydrophobicContact CG-CB 4.29Å; W2-E5 HydrophobicContact CB-CG 4.01Å; W2-E5 WeakPolarHBondContact CB-OE1 3.31Å; W2-E5 HydrophobicContact CD2-CG 4.21Å; W2-E5 HydrophobicContact CE3-CG 3.48Å; W2-E5 VanDerWaalsContact CE3-CG 3.48Å; W2-E5 HydrophobicContact CG-CG 4.47Å; W2-E5 HydrophobicContact CZ3-CG 4.28Å; W2-E5 PolarHBondContact N-OE1 3.48Å; W2-E5 VanDerWaalsContact N-OE1 3.12Å; W2-E5 WeakPolarHBondContact O-CB 3.47Å; W2-E5 WeakPolarHBondContact O-CG 3.46Å; W2-E5 PolarHBondContact O-N 3.28Å; T3-E5 PolarHBondContact O-N 2.93Å; E5-I8 PolarHBondContact O-N 3.2Å; E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.4Å; E5-Q179 PolarHBondContact OE1-N 2.95Å; E5-Q179 WeakPolarHBondContact OE2-CA 3.5Å; E5-Q179 PolarHBondContact OE2-N 3.3Å; E5-S180 VanDerWaalsContact OE2-CB 3.29Å; E5-S180 WeakPolarHBondContact OE2-CB 3.41Å; E5-S180 PolarHBondContact OE2-N 3.39Å; E5-S180 PolarHBondContact OE2-OG 3.09Å |
| 6 | L | 89.1 | Confident | 83.9 | Confident | 43 Ų | 43 | 29.3 Ų | 29.3 | 23% | 0.225 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 178.6 | -60.2 | 178 | 0 | 0 | 0 | 111.7 | M1 P4 I8 L9 R10 L220 L229 | M1-L6 HydrophobicContact SD-CD1 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.7Å; M1-L6 HydrophobicContact SD-CG 3.83Å; P4-L6 PolarHBondContact O-N 3.24Å; L6-I8 VanDerWaalsContact C-N 3.33Å; L6-L9 PolarHBondContact O-N 3.05Å; L6-R10 WeakPolarHBondContact O-CG 3.3Å; L6-R10 PolarHBondContact O-N 3.49Å; L6-L220 HydrophobicContact CD2-CD2 3.67Å; L6-L229 HydrophobicContact CD2-CD1 3.73Å |
| 7 | A | 90.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.5 | -38.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | P4 R10 G11 F12 P13 W21 L39 | P4-A7 PolarHBondContact O-N 3.12Å; P4-A7 VanDerWaalsContact O-N 3.08Å; A7-R10 VanDerWaalsContact CA-NH2 3.32Å; A7-R10 PolarHBondContact O-N 2.96Å; A7-G11 CarbonylContact O-C 3.59Å; A7-G11 WeakPolarHBondContact O-CA 3.34Å; A7-G11 PolarHBondContact O-N 3.26Å; A7-F12 PolarHBondContact O-N 3.12Å; A7-F12 VanDerWaalsContact O-N 3.15Å; A7-P13 HydrophobicContact CB-CB 4.29Å; A7-W21 HydrophobicContact CB-CH2 3.71Å; A7-W21 HydrophobicContact CB-CZ2 3.98Å; A7-L39 HydrophobicContact CB-CD1 4.44Å |
| 8 | I | 93.2 | Very high | 84 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 175.1 | -62.1 | 165.2 | 0 | 0 | 0 | 110.2 | W2 P4 E5 L6 G11 L35 L38 F94 L95 V98 W184 | W2-I8 HydrophobicContact CH2-CD1 3.76Å; W2-I8 HydrophobicContact CZ3-CD1 3.59Å; P4-I8 HydrophobicContact CB-CD1 4.49Å; P4-I8 WeakPolarHBondContact O-CG1 3.43Å; P4-I8 PolarHBondContact O-N 2.8Å; E5-I8 PolarHBondContact O-N 3.2Å; L6-I8 VanDerWaalsContact C-N 3.33Å; I8-G11 PolarHBondContact O-N 3.15Å; I8-L35 HydrophobicContact CD1-CD1 3.87Å; I8-L35 HydrophobicContact CG1-CD1 3.71Å; I8-L38 HydrophobicContact CG2-CD2 4.43Å; I8-F94 HydrophobicContact CD1-CE1 3.99Å; I8-F94 HydrophobicContact CG2-CE1 4.4Å; I8-L95 HydrophobicContact CD1-CD2 3.61Å; I8-L95 HydrophobicContact CG1-CD2 4.37Å; I8-V98 HydrophobicContact CG2-CG1 4.14Å; I8-V98 HydrophobicContact CG2-CG2 4.44Å; I8-W184 HydrophobicContact CG2-CZ2 3.71Å; I8-W184 WeakPolarHBondContact O-CZ2 3.47Å |
| 9 | L | 92.3 | Very high | 84 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -44.7 | 177.3 | -77.2 | 171.6 | 0 | 0 | 0 | 112.7 | E5 L6 G11 W183 R187 L220 L229 | E5-L9 WeakPolarHBondContact O-CG 3.34Å; E5-L9 PolarHBondContact O-N 3.4Å; L6-L9 PolarHBondContact O-N 3.05Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-W183 HydrophobicContact CD1-CE3 3.67Å; L9-W183 HydrophobicContact CD1-CZ3 3.76Å; L9-W183 HydrophobicContact CD2-CB 4.2Å; L9-W183 HydrophobicContact CD2-CD2 3.7Å; L9-W183 HydrophobicContact CD2-CE3 3.57Å; L9-W183 HydrophobicContact CD2-CG 4.02Å; L9-W183 HydrophobicContact CD2-CZ3 4.1Å; L9-W183 HydrophobicContact CG-CE3 4.21Å; L9-W183 HydrophobicContact CG-CZ3 4.39Å; L9-R187 PolarHBondContact O-NH1 3.43Å; L9-R187 PolarHBondContact O-NH2 3.18Å; L9-L220 HydrophobicContact CD1-CD2 4.41Å; L9-L229 HydrophobicContact CB-CD2 3.93Å |
| 10 | R | 90.4 | Very high | 83.9 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 6% | 0.057 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -27.8 | 175.3 | -70.8 | -173.1 | -60.1 | -98 | -10.5 | 112.8 | L6 A7 F12 E17 S225 L229 | L6-R10 WeakPolarHBondContact O-CG 3.3Å; L6-R10 PolarHBondContact O-N 3.49Å; A7-R10 VanDerWaalsContact CA-NH2 3.32Å; A7-R10 PolarHBondContact O-N 2.96Å; R10-F12 VanDerWaalsContact C-N 3.31Å; R10-F12 HydrophobicContact CB-CD1 4.14Å; R10-F12 HydrophobicContact CB-CE1 4Å; R10-F12 WeakPolarHBondContact O-CD1 3.41Å; R10-E17 IonicContact CZ-OE1 3.97Å; R10-E17 IonicContact CZ-OE2 2.86Å; R10-E17 IonicContact NH1-OE1 2.7Å; R10-E17 IonicContact NH2-OE1 3.2Å; R10-E17 PolarHBondContact NH2-OE1 3.07Å; R10-E17 IonicContact NH2-OE2 3.85Å; R10-E17 PolarHBondContact NH2-OE2 3.37Å; R10-S225 PolarHBondContact NH1-OG 2.64Å; R10-L229 HydrophobicContact CG-CD1 4.5Å; R10-L229 HydrophobicContact CG-CD2 3.73Å; R10-L229 HydrophobicContact CG-CG 4.2Å |
| 11 | G | 90.1 | Very high | 83.8 | Confident | 24 Ų | 24 | 38.1 Ų | 38.1 | 25% | 0.247 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A7 I8 L9 | A7-G11 CarbonylContact O-C 3.59Å; A7-G11 WeakPolarHBondContact O-CA 3.34Å; A7-G11 PolarHBondContact O-N 3.26Å; I8-G11 PolarHBondContact O-N 3.15Å; L9-G11 VanDerWaalsContact C-N 3.29Å |
| 12 | F | 90.2 | Very high | 84.7 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -154.6 | 150.7 | 175 | 67.2 | -83.3 | 0 | 0 | 0 | 111.3 | A7 R10 T302 P303 | A7-F12 PolarHBondContact O-N 3.12Å; A7-F12 VanDerWaalsContact O-N 3.15Å; R10-F12 VanDerWaalsContact C-N 3.31Å; R10-F12 HydrophobicContact CB-CD1 4.14Å; R10-F12 HydrophobicContact CB-CE1 4Å; R10-F12 WeakPolarHBondContact O-CD1 3.41Å; F12-T302 VanDerWaalsContact CZ-C 3.47Å; F12-P303 HydrophobicContact CD1-CB 4.21Å; F12-P303 HydrophobicContact CE1-CB 3.74Å; F12-P303 HydrophobicContact CE1-CG 4.34Å; F12-P303 HydrophobicContact CZ-CB 4.34Å |
| 13 | P | 89.3 | Confident | 85.3 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | trans | -89 | 144.9 | 174.6 | 33.2 | -31 | 0 | 0 | 0 | 112.1 | A7 E17 R18 W21 L39 | A7-P13 HydrophobicContact CB-CB 4.29Å; P13-E17 WeakPolarHBondContact CA-OE2 3.33Å; P13-E17 HydrophobicContact CB-CB 4.39Å; P13-R18 HydrophobicContact CB-CG 4.06Å; P13-R18 HydrophobicContact CG-CG 3.92Å; P13-R18 PolarHBondContact O-NE 3.44Å; P13-W21 HydrophobicContact CB-CH2 3.62Å; P13-W21 HydrophobicContact CB-CZ3 3.65Å; P13-W21 HydrophobicContact CG-CH2 4.5Å; P13-W21 HydrophobicContact CG-CZ3 4.16Å; P13-L39 HydrophobicContact CB-CD1 4.3Å; P13-L39 HydrophobicContact CG-CD1 4.12Å | ||
| 14 | T | 87.7 | Confident | 85.3 | Confident | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.043 | 24% | 0.242 | C | C | . | . | trans | -72.9 | 165.8 | 170.7 | 75.5 | 0 | 0 | 0 | 0 | 111.3 | A16 E17 R18 E300 F301 | T14-A16 VanDerWaalsContact C-N 3.31Å; T14-A16 PolarHBondContact O-N 3.21Å; T14-E17 PolarHBondContact N-OE2 3.19Å; T14-E17 PolarHBondContact O-N 3.46Å; T14-E17 WeakPolarHBondContact OG1-CG 3.33Å; T14-E17 PolarHBondContact OG1-N 3.14Å; T14-R18 WeakPolarHBondContact O-CG 3.24Å; T14-R18 PolarHBondContact O-N 3.39Å; T14-E300 WeakPolarHBondContact CB-OE1 3.5Å; T14-E300 HydrophobicContact CG2-CG 4Å; T14-E300 PolarHBondContact OG1-OE1 2.63Å; T14-F301 HydrophobicContact CG2-CD1 3.75Å; T14-F301 HydrophobicContact CG2-CE1 3.84Å | ||
| 15 | E | 84.4 | Confident | 84.3 | Confident | 99 Ų | 99 | 52.1 Ų | 52.1 | 46% | 0.463 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 178.7 | -174.7 | 56.1 | -151.8 | 0 | 0 | 111.4 | E17 R18 Q19 | E15-E17 PolarHBondContact O-N 3.5Å; E15-R18 PolarHBondContact O-N 2.97Å; E15-Q19 WeakPolarHBondContact O-CG 3.42Å; E15-Q19 PolarHBondContact O-N 2.91Å; E15-Q19 PolarHBondContact OE1-NE2 3.05Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.09Å |
| 16 | A | 84.4 | Confident | 83.1 | Confident | 56 Ų | 56 | 54 Ų | 54 | 46% | 0.463 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | T14 Q19 Q20 | T14-A16 VanDerWaalsContact C-N 3.31Å; T14-A16 PolarHBondContact O-N 3.21Å; A16-Q19 PolarHBondContact O-N 3.25Å; A16-Q20 WeakPolarHBondContact O-CB 3.44Å; A16-Q20 PolarHBondContact O-N 3.44Å |
| 17 | E | 86.4 | Confident | 81.6 | Confident | 23 Ų | 23 | 55.8 Ų | 55.8 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 177.9 | -71.8 | 171.4 | 158.5 | 0 | 0 | 111.8 | R10 P13 T14 E15 Q19 Q20 W21 | R10-E17 IonicContact CZ-OE1 3.97Å; R10-E17 IonicContact CZ-OE2 2.86Å; R10-E17 IonicContact NH1-OE1 2.7Å; R10-E17 IonicContact NH2-OE1 3.2Å; R10-E17 PolarHBondContact NH2-OE1 3.07Å; R10-E17 IonicContact NH2-OE2 3.85Å; R10-E17 PolarHBondContact NH2-OE2 3.37Å; P13-E17 WeakPolarHBondContact CA-OE2 3.33Å; P13-E17 HydrophobicContact CB-CB 4.39Å; T14-E17 PolarHBondContact N-OE2 3.19Å; T14-E17 PolarHBondContact O-N 3.46Å; T14-E17 WeakPolarHBondContact OG1-CG 3.33Å; T14-E17 PolarHBondContact OG1-N 3.14Å; E15-E17 PolarHBondContact O-N 3.5Å; E17-Q19 VanDerWaalsContact C-N 3.29Å; E17-Q19 PolarHBondContact O-N 2.79Å; E17-Q20 PolarHBondContact O-N 3.15Å; E17-W21 HydrophobicContact CB-CZ2 4.18Å; E17-W21 PolarHBondContact O-N 2.94Å |
| 18 | R | 83.4 | Confident | 80.3 | Confident | 118 Ų | 118 | 59.6 Ų | 59.6 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.8 | -70.5 | 176.2 | -159.5 | -163.9 | -2.3 | 112 | P13 T14 E15 K22 | P13-R18 HydrophobicContact CB-CG 4.06Å; P13-R18 HydrophobicContact CG-CG 3.92Å; P13-R18 PolarHBondContact O-NE 3.44Å; T14-R18 WeakPolarHBondContact O-CG 3.24Å; T14-R18 PolarHBondContact O-N 3.39Å; E15-R18 PolarHBondContact O-N 2.97Å; R18-K22 VanDerWaalsContact O-CG 3.29Å; R18-K22 WeakPolarHBondContact O-CG 3.43Å; R18-K22 PolarHBondContact O-N 3.39Å |
| 19 | Q | 82.7 | Confident | 79.6 | Confident | 96 Ų | 96 | 61.3 Ų | 61.3 | 45% | 0.449 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 178.4 | -70.3 | -179.8 | 12.2 | 0 | 0 | 111.2 | E15 A16 E17 K22 Q23 | E15-Q19 WeakPolarHBondContact O-CG 3.42Å; E15-Q19 PolarHBondContact O-N 2.91Å; E15-Q19 PolarHBondContact OE1-NE2 3.05Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.09Å; A16-Q19 PolarHBondContact O-N 3.25Å; E17-Q19 VanDerWaalsContact C-N 3.29Å; E17-Q19 PolarHBondContact O-N 2.79Å; Q19-K22 PolarHBondContact O-N 3.04Å; Q19-Q23 WeakPolarHBondContact O-CG 3.32Å; Q19-Q23 PolarHBondContact O-N 3.4Å; Q19-Q23 VanDerWaalsContact O-N 3.09Å |
| 20 | Q | 82.4 | Confident | 79 | Confident | 72 Ų | 72 | 65.4 Ų | 65.4 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 175.8 | -176.3 | 176.8 | -0.5 | 0 | 0 | 111.6 | A16 E17 K22 Q23 E24 | A16-Q20 WeakPolarHBondContact O-CB 3.44Å; A16-Q20 PolarHBondContact O-N 3.44Å; E17-Q20 PolarHBondContact O-N 3.15Å; Q20-K22 VanDerWaalsContact C-N 3.29Å; Q20-K22 PolarHBondContact O-N 3.05Å; Q20-Q23 WeakPolarHBondContact O-CB 3.49Å; Q20-Q23 PolarHBondContact O-N 3.27Å; Q20-E24 HydrophobicContact CG-CG 4.27Å; Q20-E24 VanDerWaalsContact CG-OE1 3.29Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 2.79Å; Q20-E24 WeakPolarHBondContact O-CG 3.37Å; Q20-E24 PolarHBondContact O-N 3.07Å |
| 21 | W | 82.4 | Confident | 78.7 | Confident | 23 Ų | 23 | 64.9 Ų | 64.9 | 9% | 0.087 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | -179.3 | -60.8 | -13.7 | 0 | 0 | 0 | 113.2 | P4 A7 P13 E17 G25 F26 L35 L39 | P4-W21 HydrophobicContact CB-CZ2 3.94Å; P4-W21 HydrophobicContact CG-CZ2 4.18Å; A7-W21 HydrophobicContact CB-CH2 3.71Å; A7-W21 HydrophobicContact CB-CZ2 3.98Å; P13-W21 HydrophobicContact CB-CH2 3.62Å; P13-W21 HydrophobicContact CB-CZ3 3.65Å; P13-W21 HydrophobicContact CG-CH2 4.5Å; P13-W21 HydrophobicContact CG-CZ3 4.16Å; E17-W21 HydrophobicContact CB-CZ2 4.18Å; E17-W21 PolarHBondContact O-N 2.94Å; W21-G25 PolarHBondContact O-N 3.42Å; W21-F26 HydrophobicContact CB-CB 4.28Å; W21-F26 PolarHBondContact O-N 3.24Å; W21-L35 HydrophobicContact CD2-CD2 4.48Å; W21-L35 HydrophobicContact CE3-CD2 4.27Å; W21-L35 HydrophobicContact CH2-CD2 3.97Å; W21-L35 HydrophobicContact CH2-CG 4.46Å; W21-L35 HydrophobicContact CZ2-CD2 4.21Å; W21-L35 HydrophobicContact CZ3-CD2 4.01Å; W21-L35 HydrophobicContact CZ3-CG 4.42Å; W21-L39 HydrophobicContact CH2-CD1 3.5Å; W21-L39 VanDerWaalsContact CH2-CD1 3.5Å; W21-L39 HydrophobicContact CZ3-CD1 3.5Å; W21-L39 VanDerWaalsContact CZ3-CD1 3.5Å |
| 22 | K | 76.4 | Confident | 78.5 | Confident | 153 Ų | 153 | 63.9 Ų | 63.9 | 67% | 0.665 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.9 | -37.9 | 171.9 | -74.2 | 175.7 | -175.5 | 178.8 | 0 | 111.9 | R18 Q19 Q20 | R18-K22 VanDerWaalsContact O-CG 3.29Å; R18-K22 WeakPolarHBondContact O-CG 3.43Å; R18-K22 PolarHBondContact O-N 3.39Å; Q19-K22 PolarHBondContact O-N 3.04Å; Q20-K22 VanDerWaalsContact C-N 3.29Å; Q20-K22 PolarHBondContact O-N 3.05Å |
| 23 | Q | 73.1 | Confident | 78.4 | Confident | 162 Ų | 162 | 64.2 Ų | 64.2 | 76% | 0.757 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -73.8 | -35.5 | 178.1 | -70.1 | 174.1 | 14.4 | 0 | 0 | 112.5 | Q19 Q20 G25 | Q19-Q23 WeakPolarHBondContact O-CG 3.32Å; Q19-Q23 PolarHBondContact O-N 3.4Å; Q19-Q23 VanDerWaalsContact O-N 3.09Å; Q20-Q23 WeakPolarHBondContact O-CB 3.49Å; Q20-Q23 PolarHBondContact O-N 3.27Å; Q23-G25 PolarHBondContact O-N 3Å |
| 24 | E | 70.7 | Confident | 78.5 | Confident | 100 Ų | 100 | 63.6 Ų | 63.6 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.8 | 179.7 | -70.8 | 176.3 | 176.6 | 0 | 0 | 113.6 | Q20 F26 | Q20-E24 HydrophobicContact CG-CG 4.27Å; Q20-E24 VanDerWaalsContact CG-OE1 3.29Å; Q20-E24 WeakPolarHBondContact CG-OE1 3.37Å; Q20-E24 PolarHBondContact NE2-OE1 2.79Å; Q20-E24 WeakPolarHBondContact O-CG 3.37Å; Q20-E24 PolarHBondContact O-N 3.07Å; E24-F26 PolarHBondContact O-N 3.22Å |
| 25 | G | 63.2 | Low | 78.7 | Confident | 49 Ų | 49 | 63.4 Ų | 63.4 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 14.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | W21 Q23 V27 G28 | W21-G25 PolarHBondContact O-N 3.42Å; Q23-G25 PolarHBondContact O-N 3Å; G25-V27 PolarHBondContact O-N 3.39Å; G25-V27 VanDerWaalsContact O-N 3.13Å; G25-G28 PolarHBondContact O-N 3.49Å; G25-G28 VanDerWaalsContact O-N 3.08Å |
| 26 | F | 62.3 | Low | 79 | Confident | 39 Ų | 39 | 62.7 Ų | 62.7 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -58.4 | -30.7 | -174.9 | -152.7 | -95.9 | 0 | 0 | 0 | 111.9 | W2 P4 W21 E24 G28 S29 T31 G32 L35 | W2-F26 HydrophobicContact CZ2-CZ 4.23Å; W2-F26 AromaticContact NE1-CZ 3.68Å; P4-F26 HydrophobicContact CG-CE1 4.31Å; P4-F26 HydrophobicContact CG-CZ 4.24Å; W21-F26 HydrophobicContact CB-CB 4.28Å; W21-F26 PolarHBondContact O-N 3.24Å; E24-F26 PolarHBondContact O-N 3.22Å; F26-G28 PolarHBondContact O-N 3.36Å; F26-G28 VanDerWaalsContact O-N 3.1Å; F26-S29 PolarHBondContact O-N 3.08Å; F26-S29 PolarHBondContact O-OG 3.29Å; F26-T31 HydrophobicContact CE1-CG2 4.39Å; F26-T31 HydrophobicContact CZ-CG2 4.16Å; F26-G32 VanDerWaalsContact O-CA 3.32Å; F26-G32 WeakPolarHBondContact O-CA 3.42Å; F26-L35 HydrophobicContact CD1-CD2 4.05Å; F26-L35 HydrophobicContact CE1-CD2 3.67Å |
| 27 | V | 58.6 | Low | 79.4 | Confident | 82 Ų | 82 | 61.3 Ų | 61.3 | 50% | 0.497 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -60.6 | -19.8 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 113.4 | G25 | G25-V27 PolarHBondContact O-N 3.39Å; G25-V27 VanDerWaalsContact O-N 3.13Å |
| 28 | G | 61.8 | Low | 79.8 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 81% | 0.814 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -89.2 | -10.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G25 F26 | G25-G28 PolarHBondContact O-N 3.49Å; G25-G28 VanDerWaalsContact O-N 3.08Å; F26-G28 PolarHBondContact O-N 3.36Å; F26-G28 VanDerWaalsContact O-N 3.1Å |
| 29 | S | 78.6 | Confident | 80.2 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -92 | 158.4 | -179.8 | 73 | 0 | 0 | 0 | 0 | 112.1 | F26 T31 G32 S33 | F26-S29 PolarHBondContact O-N 3.08Å; F26-S29 PolarHBondContact O-OG 3.29Å; S29-T31 VanDerWaalsContact C-N 3.28Å; S29-T31 PolarHBondContact O-N 3.48Å; S29-G32 PolarHBondContact O-N 3.42Å; S29-G32 VanDerWaalsContact O-N 3.14Å; S29-G32 PolarHBondContact OG-N 3.26Å; S29-S33 PolarHBondContact O-N 3.15Å |
| 30 | E | 81.4 | Confident | 80.6 | Confident | 88 Ų | 88 | 56.2 Ų | 56.2 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 175.5 | -65 | -172.6 | 160.1 | 0 | 0 | 111.5 | G32 S33 F34 V51 L92 | E30-G32 VanDerWaalsContact C-N 3.34Å; E30-G32 PolarHBondContact O-N 2.87Å; E30-S33 WeakPolarHBondContact O-CB 3.25Å; E30-S33 PolarHBondContact O-N 3.3Å; E30-F34 WeakPolarHBondContact O-CD2 3.42Å; E30-F34 PolarHBondContact O-N 3.22Å; E30-V51 VanDerWaalsContact CD-CG2 3.45Å; E30-V51 HydrophobicContact CG-CG2 4.32Å; E30-V51 WeakPolarHBondContact OE1-CG2 3.41Å; E30-V51 WeakPolarHBondContact OE2-CG2 3.2Å; E30-L92 HydrophobicContact CB-CD2 4.4Å |
| 31 | T | 83.8 | Confident | 81 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 175.2 | -52.2 | 0 | 0 | 0 | 0 | 112.1 | W2 F26 S29 F34 L35 Q91 L95 | W2-T31 HydrophobicContact CH2-CG2 4.46Å; W2-T31 HydrophobicContact CZ2-CG2 3.83Å; F26-T31 HydrophobicContact CE1-CG2 4.39Å; F26-T31 HydrophobicContact CZ-CG2 4.16Å; S29-T31 VanDerWaalsContact C-N 3.28Å; S29-T31 PolarHBondContact O-N 3.48Å; T31-F34 PolarHBondContact O-N 3.09Å; T31-L35 VanDerWaalsContact O-CB 3.32Å; T31-L35 WeakPolarHBondContact O-CB 3.4Å; T31-L35 PolarHBondContact O-N 3.07Å; T31-Q91 HydrophobicContact CG2-CB 3.78Å; T31-L95 HydrophobicContact CG2-CD1 3.87Å |
| 32 | G | 84.8 | Confident | 81.5 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | F26 S29 E30 L35 Q36 | F26-G32 VanDerWaalsContact O-CA 3.32Å; F26-G32 WeakPolarHBondContact O-CA 3.42Å; S29-G32 PolarHBondContact O-N 3.42Å; S29-G32 VanDerWaalsContact O-N 3.14Å; S29-G32 PolarHBondContact OG-N 3.26Å; E30-G32 VanDerWaalsContact C-N 3.34Å; E30-G32 PolarHBondContact O-N 2.87Å; G32-L35 PolarHBondContact O-N 3.15Å; G32-Q36 WeakPolarHBondContact O-CB 3.35Å; G32-Q36 PolarHBondContact O-N 2.96Å |
| 33 | S | 88.7 | Confident | 82.4 | Confident | 42 Ų | 42 | 48.5 Ų | 48.5 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | S29 E30 L35 Q36 L37 | S29-S33 PolarHBondContact O-N 3.15Å; E30-S33 WeakPolarHBondContact O-CB 3.25Å; E30-S33 PolarHBondContact O-N 3.3Å; S33-L35 PolarHBondContact O-N 3.35Å; S33-Q36 PolarHBondContact O-N 3.29Å; S33-L37 WeakPolarHBondContact O-CG 3.34Å; S33-L37 PolarHBondContact O-N 3.37Å |
| 34 | F | 91.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 176.2 | -85.8 | -134.4 | 0 | 0 | 0 | 111.9 | E30 T31 L37 L38 I46 N49 V51 T52 L92 L95 | E30-F34 WeakPolarHBondContact O-CD2 3.42Å; E30-F34 PolarHBondContact O-N 3.22Å; T31-F34 PolarHBondContact O-N 3.09Å; F34-L37 PolarHBondContact O-N 3.08Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.45Å; F34-L38 PolarHBondContact O-N 2.84Å; F34-I46 HydrophobicContact CD1-CG2 3.59Å; F34-I46 HydrophobicContact CE1-CG2 3.49Å; F34-I46 VanDerWaalsContact CE1-CG2 3.49Å; F34-I46 HydrophobicContact CG-CG2 4.28Å; F34-I46 HydrophobicContact CZ-CG2 4.1Å; F34-N49 HydrophobicContact CE2-CB 3.98Å; F34-N49 HydrophobicContact CZ-CB 4.18Å; F34-V51 HydrophobicContact CE2-CB 4.39Å; F34-V51 HydrophobicContact CZ-CB 4.18Å; F34-V51 HydrophobicContact CZ-CG1 4.46Å; F34-T52 WeakPolarHBondContact CZ-OG1 3.4Å; F34-L92 HydrophobicContact CB-CD2 4.3Å; F34-L92 HydrophobicContact CD1-CD2 3.91Å; F34-L92 HydrophobicContact CD2-CD2 4.11Å; F34-L92 HydrophobicContact CE1-CD2 4.23Å; F34-L92 HydrophobicContact CE2-CD2 4.42Å; F34-L92 HydrophobicContact CG-CD2 3.86Å; F34-L92 HydrophobicContact CZ-CD2 4.49Å; F34-L95 HydrophobicContact CB-CB 4.35Å; F34-L95 HydrophobicContact CB-CD1 3.71Å; F34-L95 HydrophobicContact CD1-CB 4.39Å |
| 35 | L | 91.9 | Very high | 84.5 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -44 | 177.8 | 177.8 | 66.5 | 0 | 0 | 0 | 111.5 | P4 I8 W21 F26 T31 G32 S33 L38 L39 L95 | P4-L35 HydrophobicContact CB-CD1 3.87Å; P4-L35 HydrophobicContact CB-CD2 3.54Å; P4-L35 HydrophobicContact CB-CG 4.37Å; P4-L35 HydrophobicContact CG-CD2 3.63Å; I8-L35 HydrophobicContact CD1-CD1 3.87Å; I8-L35 HydrophobicContact CG1-CD1 3.71Å; W21-L35 HydrophobicContact CD2-CD2 4.48Å; W21-L35 HydrophobicContact CE3-CD2 4.27Å; W21-L35 HydrophobicContact CH2-CD2 3.97Å; W21-L35 HydrophobicContact CH2-CG 4.46Å; W21-L35 HydrophobicContact CZ2-CD2 4.21Å; W21-L35 HydrophobicContact CZ3-CD2 4.01Å; W21-L35 HydrophobicContact CZ3-CG 4.42Å; F26-L35 HydrophobicContact CD1-CD2 4.05Å; F26-L35 HydrophobicContact CE1-CD2 3.67Å; T31-L35 VanDerWaalsContact O-CB 3.32Å; T31-L35 WeakPolarHBondContact O-CB 3.4Å; T31-L35 PolarHBondContact O-N 3.07Å; G32-L35 PolarHBondContact O-N 3.15Å; S33-L35 PolarHBondContact O-N 3.35Å; L35-L38 PolarHBondContact O-N 3.16Å; L35-L39 HydrophobicContact CD1-CD1 3.8Å; L35-L39 HydrophobicContact CD1-CG 4.25Å; L35-L39 HydrophobicContact CG-CD1 3.96Å; L35-L39 WeakPolarHBondContact O-CG 3.2Å; L35-L39 PolarHBondContact O-N 3.44Å; L35-L95 HydrophobicContact CB-CD1 4.32Å; L35-L95 HydrophobicContact CD1-CD2 4.2Å |
| 36 | Q | 91 | Very high | 85.9 | Confident | 85 Ų | 85 | 37.5 Ų | 37.5 | 40% | 0.397 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.3 | -50.8 | 177.8 | -179 | 176.5 | -5 | 0 | 0 | 111 | G32 S33 L38 L39 E40 | G32-Q36 WeakPolarHBondContact O-CB 3.35Å; G32-Q36 PolarHBondContact O-N 2.96Å; S33-Q36 PolarHBondContact O-N 3.29Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 3Å; Q36-L39 PolarHBondContact O-N 2.92Å; Q36-E40 HydrophobicContact CG-CG 4.38Å; Q36-E40 VanDerWaalsContact CG-OE1 3.23Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.3Å; Q36-E40 PolarHBondContact NE2-OE1 3.47Å; Q36-E40 WeakPolarHBondContact O-CB 3.47Å; Q36-E40 WeakPolarHBondContact O-CG 3.38Å; Q36-E40 PolarHBondContact O-N 3.22Å |
| 37 | L | 92.9 | Very high | 87.4 | Confident | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.136 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 178.4 | -69.9 | 173.5 | 0 | 0 | 0 | 112 | S33 F34 E40 G41 N42 A45 I46 | S33-L37 WeakPolarHBondContact O-CG 3.34Å; S33-L37 PolarHBondContact O-N 3.37Å; F34-L37 PolarHBondContact O-N 3.08Å; L37-E40 PolarHBondContact O-N 3.46Å; L37-G41 PolarHBondContact O-N 3.2Å; L37-N42 HydrophobicContact CD2-CB 4.25Å; L37-N42 PolarHBondContact O-N 3.16Å; L37-A45 HydrophobicContact CD1-CB 3.95Å; L37-A45 HydrophobicContact CD2-CB 3.9Å; L37-A45 HydrophobicContact CG-CB 4.49Å; L37-I46 HydrophobicContact CB-CD1 3.95Å; L37-I46 HydrophobicContact CB-CG1 3.66Å; L37-I46 HydrophobicContact CD1-CG1 3.89Å; L37-I46 HydrophobicContact CG-CG1 4.45Å |
| 38 | L | 93.9 | Very high | 89 | Confident | 6 Ų | 6 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 177.8 | -174.4 | 158.4 | 0 | 0 | 0 | 111.5 | I8 F34 L35 Q36 E40 G41 Y43 I46 L95 V98 | I8-L38 HydrophobicContact CG2-CD2 4.43Å; F34-L38 VanDerWaalsContact O-CB 3.3Å; F34-L38 WeakPolarHBondContact O-CB 3.45Å; F34-L38 PolarHBondContact O-N 2.84Å; L35-L38 PolarHBondContact O-N 3.16Å; Q36-L38 VanDerWaalsContact C-N 3.27Å; Q36-L38 PolarHBondContact O-N 3Å; L38-E40 VanDerWaalsContact C-N 3.31Å; L38-E40 PolarHBondContact O-N 3.47Å; L38-G41 PolarHBondContact O-N 3.16Å; L38-G41 VanDerWaalsContact O-N 3.13Å; L38-Y43 HydrophobicContact CG-CD1 4.47Å; L38-Y43 HydrophobicContact CG-CE1 4.08Å; L38-Y43 VanDerWaalsContact O-CE1 3.24Å; L38-Y43 WeakPolarHBondContact O-CE1 3.41Å; L38-I46 HydrophobicContact CB-CD1 4.03Å; L38-L95 HydrophobicContact CD1-CD2 3.67Å; L38-V98 HydrophobicContact CD1-CB 4.08Å; L38-V98 HydrophobicContact CD1-CG1 3.82Å |
| 39 | L | 92.1 | Very high | 90.4 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.4 | -19.6 | -178.1 | -66.5 | 172.5 | 0 | 0 | 0 | 113.2 | A7 P13 W21 L35 Q36 G41 | A7-L39 HydrophobicContact CB-CD1 4.44Å; P13-L39 HydrophobicContact CB-CD1 4.3Å; P13-L39 HydrophobicContact CG-CD1 4.12Å; W21-L39 HydrophobicContact CH2-CD1 3.5Å; W21-L39 VanDerWaalsContact CH2-CD1 3.5Å; W21-L39 HydrophobicContact CZ3-CD1 3.5Å; W21-L39 VanDerWaalsContact CZ3-CD1 3.5Å; L35-L39 HydrophobicContact CD1-CD1 3.8Å; L35-L39 HydrophobicContact CD1-CG 4.25Å; L35-L39 HydrophobicContact CG-CD1 3.96Å; L35-L39 WeakPolarHBondContact O-CG 3.2Å; L35-L39 PolarHBondContact O-N 3.44Å; Q36-L39 PolarHBondContact O-N 2.92Å; L39-G41 VanDerWaalsContact C-N 3.3Å |
| 40 | E | 91.3 | Very high | 90.8 | Very high | 111 Ų | 111 | 35.6 Ų | 35.6 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.7 | 169.4 | -71 | 174.3 | -178.6 | 0 | 0 | 112.6 | Q36 L37 L38 N42 | Q36-E40 HydrophobicContact CG-CG 4.38Å; Q36-E40 VanDerWaalsContact CG-OE1 3.23Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.3Å; Q36-E40 PolarHBondContact NE2-OE1 3.47Å; Q36-E40 WeakPolarHBondContact O-CB 3.47Å; Q36-E40 WeakPolarHBondContact O-CG 3.38Å; Q36-E40 PolarHBondContact O-N 3.22Å; L37-E40 PolarHBondContact O-N 3.46Å; L38-E40 VanDerWaalsContact C-N 3.31Å; L38-E40 PolarHBondContact O-N 3.47Å; E40-N42 VanDerWaalsContact C-N 3.3Å |
| 41 | G | 91.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 32 Ų | 32 | 9% | 0.093 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | 15 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L37 L38 L39 Y43 | L37-G41 PolarHBondContact O-N 3.2Å; L38-G41 PolarHBondContact O-N 3.16Å; L38-G41 VanDerWaalsContact O-N 3.13Å; L39-G41 VanDerWaalsContact C-N 3.3Å; G41-Y43 PolarHBondContact O-N 3.02Å |
| 42 | N | 93 | Very high | 91.4 | Very high | 71 Ų | 71 | 31.9 Ų | 31.9 | 38% | 0.38 | 18% | 0.177 | S | C | . | . | trans | -94.2 | 65.1 | 178.1 | -169.2 | -3.9 | 0 | 0 | 0 | 110.8 | L37 E40 E44 A45 | L37-N42 HydrophobicContact CD2-CB 4.25Å; L37-N42 PolarHBondContact O-N 3.16Å; E40-N42 VanDerWaalsContact C-N 3.3Å; N42-E44 VanDerWaalsContact C-N 3.31Å; N42-E44 PolarHBondContact O-N 3.44Å; N42-A45 PolarHBondContact O-N 2.99Å; N42-A45 WeakPolarHBondContact OD1-CB 3.23Å; N42-A45 PolarHBondContact OD1-N 3.25Å | ||
| 43 | Y | 94.3 | Very high | 91.6 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.1 | -29.2 | -176.4 | -46.3 | -62.1 | 0 | 0 | 0 | 112.6 | L38 G41 A45 I46 F47 Q102 V424 L428 | L38-Y43 HydrophobicContact CG-CD1 4.47Å; L38-Y43 HydrophobicContact CG-CE1 4.08Å; L38-Y43 VanDerWaalsContact O-CE1 3.24Å; L38-Y43 WeakPolarHBondContact O-CE1 3.41Å; G41-Y43 PolarHBondContact O-N 3.02Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; Y43-A45 PolarHBondContact O-N 3.46Å; Y43-I46 WeakPolarHBondContact O-CB 3.38Å; Y43-I46 PolarHBondContact O-N 2.91Å; Y43-F47 WeakPolarHBondContact O-CD2 3.15Å; Y43-Q102 HydrophobicContact CD1-CB 4.23Å; Y43-Q102 HydrophobicContact CD2-CB 4.1Å; Y43-Q102 HydrophobicContact CE1-CB 3.91Å; Y43-Q102 HydrophobicContact CE1-CG 4.3Å; Y43-Q102 HydrophobicContact CE2-CB 3.74Å; Y43-Q102 HydrophobicContact CG-CB 4.33Å; Y43-V424 HydrophobicContact CD2-CG1 4.49Å; Y43-V424 HydrophobicContact CE2-CG1 3.82Å; Y43-L428 HydrophobicContact CE2-CD1 3.74Å; Y43-L428 VanDerWaalsContact OH-CD1 3.25Å; Y43-L428 WeakPolarHBondContact OH-CD1 3.23Å |
| 44 | E | 93.7 | Very high | 91.5 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -42.7 | 177.9 | -66.4 | 179 | -176.7 | 0 | 0 | 111.6 | N42 I46 F47 L48 L103 V114 D115 | N42-E44 VanDerWaalsContact C-N 3.31Å; N42-E44 PolarHBondContact O-N 3.44Å; E44-I46 PolarHBondContact O-N 3.35Å; E44-F47 PolarHBondContact O-N 3.41Å; E44-L48 WeakPolarHBondContact O-CG 3.4Å; E44-L48 PolarHBondContact O-N 3.47Å; E44-L48 VanDerWaalsContact O-N 3.09Å; E44-L103 HydrophobicContact CG-CD1 3.9Å; E44-L103 HydrophobicContact CG-CD2 4.37Å; E44-V114 HydrophobicContact CG-CG1 4.17Å; E44-V114 WeakPolarHBondContact OE1-CG1 3.44Å; E44-D115 PolarHBondContact OE1-N 2.98Å |
| 45 | A | 93.3 | Very high | 91.3 | Very high | 26 Ų | 26 | 39 Ų | 39 | 22% | 0.215 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.9 | -26.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L37 N42 Y43 L48 N49 | L37-A45 HydrophobicContact CD1-CB 3.95Å; L37-A45 HydrophobicContact CD2-CB 3.9Å; L37-A45 HydrophobicContact CG-CB 4.49Å; N42-A45 PolarHBondContact O-N 2.99Å; N42-A45 WeakPolarHBondContact OD1-CB 3.23Å; N42-A45 PolarHBondContact OD1-N 3.25Å; Y43-A45 VanDerWaalsContact C-N 3.34Å; Y43-A45 PolarHBondContact O-N 3.46Å; A45-L48 PolarHBondContact O-N 3.49Å; A45-N49 PolarHBondContact O-N 3.01Å; A45-N49 VanDerWaalsContact O-N 3.14Å |
| 46 | I | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68 | -38.7 | 175.2 | -64.2 | 174.2 | 0 | 0 | 0 | 110.7 | F34 L37 L38 Y43 E44 N49 T52 L96 S99 | F34-I46 HydrophobicContact CD1-CG2 3.59Å; F34-I46 HydrophobicContact CE1-CG2 3.49Å; F34-I46 VanDerWaalsContact CE1-CG2 3.49Å; F34-I46 HydrophobicContact CG-CG2 4.28Å; F34-I46 HydrophobicContact CZ-CG2 4.1Å; L37-I46 HydrophobicContact CB-CD1 3.95Å; L37-I46 HydrophobicContact CB-CG1 3.66Å; L37-I46 HydrophobicContact CD1-CG1 3.89Å; L37-I46 HydrophobicContact CG-CG1 4.45Å; L38-I46 HydrophobicContact CB-CD1 4.03Å; Y43-I46 WeakPolarHBondContact O-CB 3.38Å; Y43-I46 PolarHBondContact O-N 2.91Å; E44-I46 PolarHBondContact O-N 3.35Å; I46-N49 WeakPolarHBondContact O-CB 3.43Å; I46-N49 PolarHBondContact O-N 3.29Å; I46-T52 WeakPolarHBondContact O-CB 3.49Å; I46-T52 PolarHBondContact O-OG1 3.16Å; I46-L96 HydrophobicContact CG2-CD1 4.24Å; I46-S99 WeakPolarHBondContact CD1-OG 3.28Å |
| 47 | F | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.9 | -32.8 | 176.4 | -72.8 | -84.5 | 0 | 0 | 0 | 113.1 | Y43 E44 N49 T52 L96 S100 L103 L116 F121 L160 L163 | Y43-F47 WeakPolarHBondContact O-CD2 3.15Å; E44-F47 PolarHBondContact O-N 3.41Å; F47-N49 PolarHBondContact O-N 2.88Å; F47-T52 HydrophobicContact CD1-CG2 4.19Å; F47-L96 HydrophobicContact CD1-CD1 4.28Å; F47-L96 HydrophobicContact CE1-CD1 3.87Å; F47-L96 HydrophobicContact CZ-CD1 4.15Å; F47-S100 WeakPolarHBondContact CZ-OG 3.29Å; F47-L103 HydrophobicContact CD2-CD2 3.82Å; F47-L103 HydrophobicContact CE2-CD2 3.76Å; F47-L116 HydrophobicContact CB-CD1 4.11Å; F47-L116 HydrophobicContact CB-CD2 3.82Å; F47-L116 HydrophobicContact CD1-CD2 4.45Å; F47-L116 HydrophobicContact CD2-CD2 3.91Å; F47-L116 HydrophobicContact CG-CD2 3.8Å; F47-F121 HydrophobicContact CB-CB 4.35Å; F47-F121 HydrophobicContact CB-CD1 4.18Å; F47-F121 HydrophobicContact CB-CG 4.32Å; F47-F121 HydrophobicContact CD1-CD1 4.05Å; F47-F121 AromaticContact CD1-CD2 3.95Å; F47-F121 HydrophobicContact CD1-CD2 3.95Å; F47-F121 HydrophobicContact CD1-CE1 4.23Å; F47-F121 HydrophobicContact CD1-CE2 4.15Å; F47-F121 AromaticContact CD1-CG 3.9Å; F47-F121 HydrophobicContact CD1-CG 3.9Å; F47-F121 HydrophobicContact CD1-CZ 4.28Å; F47-F121 HydrophobicContact CE1-CE2 4.35Å; F47-F121 HydrophobicContact CE1-CZ 4.5Å; F47-F121 HydrophobicContact CG-CD1 4.44Å; F47-F121 WeakPolarHBondContact O-CB 3.17Å; F47-L160 HydrophobicContact CE1-CD2 3.96Å; F47-L160 HydrophobicContact CE2-CD2 4.07Å; F47-L160 HydrophobicContact CZ-CD2 3.64Å; F47-L163 HydrophobicContact CE1-CD1 4.11Å |
| 48 | L | 91.9 | Very high | 88.9 | Confident | 89 Ų | 89 | 39.5 Ų | 39.5 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -78.6 | -6.4 | 176.6 | -61 | 176.5 | 0 | 0 | 0 | 113.3 | E44 A45 L116 D120 | E44-L48 WeakPolarHBondContact O-CG 3.4Å; E44-L48 PolarHBondContact O-N 3.47Å; E44-L48 VanDerWaalsContact O-N 3.09Å; A45-L48 PolarHBondContact O-N 3.49Å; L48-L116 HydrophobicContact CD2-CD1 4.09Å; L48-L116 HydrophobicContact CG-CD1 4.39Å; L48-D120 HydrophobicContact CD2-CB 3.75Å |
| 49 | N | 92 | Very high | 87.1 | Confident | 38 Ų | 38 | 43.9 Ų | 43.9 | 20% | 0.203 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -69.4 | 141.2 | 178.1 | -167.3 | -63.5 | 0 | 0 | 0 | 111.3 | F34 A45 I46 F47 V51 T52 Q53 | F34-N49 HydrophobicContact CE2-CB 3.98Å; F34-N49 HydrophobicContact CZ-CB 4.18Å; A45-N49 PolarHBondContact O-N 3.01Å; A45-N49 VanDerWaalsContact O-N 3.14Å; I46-N49 WeakPolarHBondContact O-CB 3.43Å; I46-N49 PolarHBondContact O-N 3.29Å; F47-N49 PolarHBondContact O-N 2.88Å; N49-V51 PolarHBondContact O-N 3.39Å; N49-V51 WeakPolarHBondContact OD1-CG2 3.31Å; N49-V51 PolarHBondContact OD1-N 3.49Å; N49-T52 PolarHBondContact O-N 3.41Å; N49-T52 VanDerWaalsContact O-N 3.11Å; N49-Q53 PolarHBondContact O-N 3.05Å; N49-Q53 VanDerWaalsContact O-N 3.1Å |
| 50 | S | 88.2 | Confident | 85.5 | Confident | 72 Ų | 72 | 47.9 Ų | 47.9 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57 | -32.3 | 179.5 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | Q53 N54 | S50-Q53 PolarHBondContact O-N 3.1Å; S50-N54 WeakPolarHBondContact O-CB 3.19Å; S50-N54 PolarHBondContact O-N 2.95Å; S50-N54 PolarHBondContact O-ND2 3.19Å |
| 51 | V | 88.2 | Confident | 83.7 | Confident | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -48 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | E30 F34 N49 Q53 N54 I55 | E30-V51 VanDerWaalsContact CD-CG2 3.45Å; E30-V51 HydrophobicContact CG-CG2 4.32Å; E30-V51 WeakPolarHBondContact OE1-CG2 3.41Å; E30-V51 WeakPolarHBondContact OE2-CG2 3.2Å; F34-V51 HydrophobicContact CE2-CB 4.39Å; F34-V51 HydrophobicContact CZ-CB 4.18Å; F34-V51 HydrophobicContact CZ-CG1 4.46Å; N49-V51 PolarHBondContact O-N 3.39Å; N49-V51 WeakPolarHBondContact OD1-CG2 3.31Å; N49-V51 PolarHBondContact OD1-N 3.49Å; V51-Q53 VanDerWaalsContact C-N 3.35Å; V51-Q53 PolarHBondContact O-N 3.37Å; V51-N54 PolarHBondContact O-N 3.05Å; V51-I55 HydrophobicContact CG1-CD1 4.14Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.48Å; V51-I55 PolarHBondContact O-N 3.42Å |
| 52 | T | 89.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | F34 I46 F47 N49 N54 I55 F56 L96 | F34-T52 WeakPolarHBondContact CZ-OG1 3.4Å; I46-T52 WeakPolarHBondContact O-CB 3.49Å; I46-T52 PolarHBondContact O-OG1 3.16Å; F47-T52 HydrophobicContact CD1-CG2 4.19Å; N49-T52 PolarHBondContact O-N 3.41Å; N49-T52 VanDerWaalsContact O-N 3.11Å; T52-N54 PolarHBondContact O-N 3.03Å; T52-I55 PolarHBondContact O-N 2.95Å; T52-F56 HydrophobicContact CG2-CD2 3.96Å; T52-F56 HydrophobicContact CG2-CE2 3.96Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.36Å; T52-L96 HydrophobicContact CG2-CD1 3.79Å; T52-L96 HydrophobicContact CG2-CD2 4.42Å |
| 53 | Q | 87.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.7 | -68.7 | 178.9 | -15.8 | 0 | 0 | 111.4 | N49 S50 V51 I55 F56 N57 D120 | N49-Q53 PolarHBondContact O-N 3.05Å; N49-Q53 VanDerWaalsContact O-N 3.1Å; S50-Q53 PolarHBondContact O-N 3.1Å; V51-Q53 VanDerWaalsContact C-N 3.35Å; V51-Q53 PolarHBondContact O-N 3.37Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 3.47Å; Q53-F56 PolarHBondContact O-N 3.38Å; Q53-N57 WeakPolarHBondContact O-CA 3.27Å; Q53-N57 WeakPolarHBondContact O-CB 3.39Å; Q53-N57 PolarHBondContact O-N 3.32Å; Q53-D120 PolarHBondContact NE2-O 3.4Å |
| 54 | N | 86.3 | Confident | 78.5 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 66% | 0.663 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -64.2 | -35.6 | 177.5 | -72 | -19.9 | 0 | 0 | 0 | 112.7 | S50 V51 T52 F56 | S50-N54 WeakPolarHBondContact O-CB 3.19Å; S50-N54 PolarHBondContact O-N 2.95Å; S50-N54 PolarHBondContact O-ND2 3.19Å; V51-N54 PolarHBondContact O-N 3.05Å; T52-N54 PolarHBondContact O-N 3.03Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3Å |
| 55 | I | 87.6 | Confident | 77.8 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 4% | 0.036 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.6 | -68.4 | 164.3 | 0 | 0 | 0 | 110.7 | V51 T52 Q53 Q73 F77 I93 | V51-I55 HydrophobicContact CG1-CD1 4.14Å; V51-I55 VanDerWaalsContact O-CG1 3.3Å; V51-I55 WeakPolarHBondContact O-CG1 3.48Å; V51-I55 PolarHBondContact O-N 3.42Å; T52-I55 PolarHBondContact O-N 2.95Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 3.47Å; I55-Q73 WeakPolarHBondContact O-CB 3.45Å; I55-F77 HydrophobicContact CD1-CD1 4.26Å; I55-F77 HydrophobicContact CD1-CD2 4.22Å; I55-F77 HydrophobicContact CD1-CE1 4.17Å; I55-F77 HydrophobicContact CD1-CE2 4.12Å; I55-F77 HydrophobicContact CD1-CG 4.28Å; I55-F77 HydrophobicContact CD1-CZ 4.09Å; I55-F77 HydrophobicContact CG1-CB 4.44Å; I55-F77 HydrophobicContact CG1-CD1 4.39Å; I55-F77 HydrophobicContact CG1-CD2 3.63Å; I55-F77 HydrophobicContact CG1-CE2 3.87Å; I55-F77 HydrophobicContact CG1-CG 3.9Å; I55-F77 HydrophobicContact CG1-CZ 4.35Å; I55-F77 HydrophobicContact CG2-CB 4.47Å; I55-I93 HydrophobicContact CD1-CD1 4.04Å; I55-I93 HydrophobicContact CG2-CD1 4.5Å |
| 56 | F | 85.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -105 | -4 | -172 | -61.8 | -59.6 | 0 | 0 | 0 | 115.7 | T52 Q53 N54 Y69 L70 Q73 V74 L96 F121 L122 L163 | T52-F56 HydrophobicContact CG2-CD2 3.96Å; T52-F56 HydrophobicContact CG2-CE2 3.96Å; T52-F56 WeakPolarHBondContact O-CD2 3.47Å; T52-F56 PolarHBondContact O-N 3.36Å; Q53-F56 PolarHBondContact O-N 3.38Å; N54-F56 VanDerWaalsContact C-N 3.34Å; N54-F56 PolarHBondContact O-N 3Å; F56-Y69 PolarHBondContact O-OH 3.48Å; F56-Y69 VanDerWaalsContact O-OH 3.08Å; F56-L70 HydrophobicContact CD1-CD2 3.74Å; F56-L70 HydrophobicContact CE1-CD2 4.02Å; F56-Q73 HydrophobicContact CD1-CB 4.25Å; F56-V74 HydrophobicContact CE1-CG2 3.95Å; F56-V74 HydrophobicContact CZ-CG2 4.33Å; F56-L96 HydrophobicContact CE2-CD2 3.72Å; F56-L96 HydrophobicContact CZ-CD2 3.85Å; F56-F121 WeakPolarHBondContact CB-O 3.31Å; F56-F121 HydrophobicContact CD2-CD2 4.36Å; F56-L122 HydrophobicContact CB-CD2 3.91Å; F56-L122 HydrophobicContact CG-CD2 4.13Å; F56-L163 HydrophobicContact CE1-CD2 3.83Å; F56-L163 HydrophobicContact CE2-CD2 4.39Å; F56-L163 HydrophobicContact CZ-CD2 3.64Å |
| 57 | N | 73.9 | Confident | 77.2 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 35% | 0.354 | S | S | . | . | trans | -102.5 | 26 | -176.2 | -162 | 14.2 | 0 | 0 | 0 | 114 | Q53 A59 S123 | Q53-N57 WeakPolarHBondContact O-CA 3.27Å; Q53-N57 WeakPolarHBondContact O-CB 3.39Å; Q53-N57 PolarHBondContact O-N 3.32Å; N57-A59 PolarHBondContact O-N 3.38Å; N57-S123 PolarHBondContact OD1-OG 3.19Å | ||
| 58 | S | 67.3 | Low | 77 | Confident | 33 Ų | 33 | 64.5 Ų | 64.5 | 23% | 0.231 | 37% | 0.372 | C | S | . | . | trans | -73.8 | 130.4 | 177.2 | 81.7 | 0 | 0 | 0 | 0 | 111.6 | T60 Y69 Q73 | S58-T60 PolarHBondContact O-N 2.99Å; S58-T60 VanDerWaalsContact O-N 3.12Å; S58-Y69 PolarHBondContact O-OH 2.97Å; S58-Y69 VanDerWaalsContact O-OH 3.05Å; S58-Q73 PolarHBondContact OG-NE2 2.99Å; S58-Q73 PolarHBondContact OG-OE1 3.35Å | ||
| 59 | A | 56.1 | Low | 76.7 | Confident | 98 Ų | 98 | 60.6 Ų | 60.6 | 81% | 0.81 | 35% | 0.351 | S | S | * | . | trans | -73.3 | 2.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N57 T61 | N57-A59 PolarHBondContact O-N 3.38Å; A59-T61 PolarHBondContact O-N 3.34Å | ||
| 60 | T | 57.5 | Low | 76.7 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | trans | -86.1 | 109.5 | 175.7 | 20.1 | 0 | 0 | 0 | 0 | 109.8 | S58 | S58-T60 PolarHBondContact O-N 2.99Å; S58-T60 VanDerWaalsContact O-N 3.12Å | ||
| 61 | T | 54.1 | Low | 76.9 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | 177.4 | 149.4 | 109.8 | 30.3 | 0 | 0 | 0 | 0 | 113.9 | A59 E64 | A59-T61 PolarHBondContact O-N 3.34Å; T61-E64 HydrophobicContact CG2-CG 4.45Å | |||
| 62 | A | 51.8 | Low | 77 | Confident | 89 Ų | 89 | 61.8 Ų | 61.8 | 74% | 0.736 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -73.9 | 130.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | E64 | A62-E64 PolarHBondContact O-N 3.07Š|
| 63 | E | 56.7 | Low | 77 | Confident | 186 Ų | 186 | 62.4 Ų | 62.4 | 87% | 0.869 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 33.8 | 61.4 | 160.3 | -62.1 | -177.8 | 172.1 | 0 | 0 | 118.2 | ||
| 64 | E | 61.7 | Low | 77.2 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -106.9 | 143.8 | 164.9 | -72.7 | 178.6 | -178.9 | 0 | 0 | 110.8 | T61 A62 K72 | T61-E64 HydrophobicContact CG2-CG 4.45Å; A62-E64 PolarHBondContact O-N 3.07Å; E64-K72 IonicContact OE1-NZ 3.15Å; E64-K72 PolarHBondContact OE1-NZ 3.28Å; E64-K72 VanDerWaalsContact OE2-CD 3.26Å; E64-K72 WeakPolarHBondContact OE2-CD 3.34Å; E64-K72 IonicContact OE2-NZ 3.47Å; E64-K72 PolarHBondContact OE2-NZ 3.27Å | ||
| 65 | K | 78.8 | Confident | 77.5 | Confident | 134 Ų | 134 | 55 Ų | 55 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | trans | -63.2 | 149.1 | 173.1 | -66.7 | -179.8 | 179.2 | 177 | 0 | 110.4 | D67 S68 Y69 | K65-D67 VanDerWaalsContact C-N 3.35Å; K65-D67 WeakPolarHBondContact CB-OD1 3.06Å; K65-D67 PolarHBondContact O-N 3.24Å; K65-S68 WeakPolarHBondContact O-CB 3.36Å; K65-S68 PolarHBondContact O-N 3.38Å; K65-S68 VanDerWaalsContact O-N 3.11Å; K65-Y69 PolarHBondContact O-N 3.13Å | ||
| 66 | I | 85.9 | Confident | 77.6 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.6 | -40.1 | -173.4 | -161.9 | 172.6 | 0 | 0 | 0 | 114.1 | Y69 L70 L126 L136 F139 L143 I159 L162 | I66-Y69 PolarHBondContact O-N 3.08Å; I66-L70 HydrophobicContact CG1-CD1 4.06Å; I66-L70 HydrophobicContact CG1-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CB 3.44Å; I66-L70 WeakPolarHBondContact O-CG 3.23Å; I66-L70 PolarHBondContact O-N 3.25Å; I66-L126 HydrophobicContact CG1-CD1 4.42Å; I66-L126 HydrophobicContact CG1-CD2 4.47Å; I66-L136 HydrophobicContact CD1-CD1 3.46Å; I66-L136 VanDerWaalsContact CD1-CD1 3.46Å; I66-F139 HydrophobicContact CB-CE1 4.46Å; I66-F139 HydrophobicContact CG2-CD1 3.95Å; I66-F139 HydrophobicContact CG2-CE1 3.71Å; I66-L143 HydrophobicContact CG2-CD1 3.74Å; I66-I159 HydrophobicContact CD1-CD1 3.98Å; I66-L162 HydrophobicContact CG2-CD2 4.22Å |
| 67 | D | 87.6 | Confident | 77.9 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 176.6 | 56.3 | -26.1 | 0 | 0 | 0 | 111.5 | K65 L70 E71 L143 L162 | K65-D67 VanDerWaalsContact C-N 3.35Å; K65-D67 WeakPolarHBondContact CB-OD1 3.06Å; K65-D67 PolarHBondContact O-N 3.24Å; D67-L70 PolarHBondContact O-N 3.35Å; D67-E71 VanDerWaalsContact O-CB 3.31Å; D67-E71 WeakPolarHBondContact O-CB 3.42Å; D67-E71 PolarHBondContact O-N 2.74Å; D67-L143 HydrophobicContact CB-CD1 4.04Å; D67-L162 HydrophobicContact CB-CD1 4.48Å |
| 68 | S | 88.3 | Confident | 78.6 | Confident | 55 Ų | 55 | 55 Ų | 55 | 39% | 0.385 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.3 | -40.8 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 111.5 | K65 K72 | K65-S68 WeakPolarHBondContact O-CB 3.36Å; K65-S68 PolarHBondContact O-N 3.38Å; K65-S68 VanDerWaalsContact O-N 3.11Å; S68-K72 WeakPolarHBondContact O-CB 3.41Å; S68-K72 PolarHBondContact O-N 2.94Å |
| 69 | Y | 87.7 | Confident | 79.6 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 2% | 0.024 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -53 | 175.1 | 173 | -94.4 | 0 | 0 | 0 | 111.1 | F56 S58 K65 I66 E71 K72 Q73 L126 | F56-Y69 PolarHBondContact O-OH 3.48Å; F56-Y69 VanDerWaalsContact O-OH 3.08Å; S58-Y69 PolarHBondContact O-OH 2.97Å; S58-Y69 VanDerWaalsContact O-OH 3.05Å; K65-Y69 PolarHBondContact O-N 3.13Å; I66-Y69 PolarHBondContact O-N 3.08Å; Y69-E71 PolarHBondContact O-N 3.44Å; Y69-K72 WeakPolarHBondContact O-CB 3.38Å; Y69-K72 PolarHBondContact O-N 3.31Å; Y69-Q73 HydrophobicContact CD1-CG 4.16Å; Y69-Q73 HydrophobicContact CE1-CG 3.72Å; Y69-Q73 HydrophobicContact CE2-CG 4.15Å; Y69-Q73 VanDerWaalsContact CE2-NE2 3.25Å; Y69-Q73 WeakPolarHBondContact O-CG 3.38Å; Y69-Q73 PolarHBondContact O-N 3.32Å; Y69-L126 HydrophobicContact CD1-CD1 3.85Å; Y69-L126 HydrophobicContact CD1-CD2 3.88Å; Y69-L126 HydrophobicContact CD1-CG 4.37Å; Y69-L126 HydrophobicContact CE1-CD1 3.72Å; Y69-L126 HydrophobicContact CE1-CD2 4.22Å; Y69-L126 HydrophobicContact CE1-CG 4.28Å; Y69-L126 HydrophobicContact CG-CD2 4.08Å |
| 70 | L | 90.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | -178.5 | -69.1 | 174 | 0 | 0 | 0 | 111.5 | F56 I66 D67 K72 Q73 V74 L122 I159 L162 L163 I166 | F56-L70 HydrophobicContact CD1-CD2 3.74Å; F56-L70 HydrophobicContact CE1-CD2 4.02Å; I66-L70 HydrophobicContact CG1-CD1 4.06Å; I66-L70 HydrophobicContact CG1-CG 4.31Å; I66-L70 WeakPolarHBondContact O-CB 3.44Å; I66-L70 WeakPolarHBondContact O-CG 3.23Å; I66-L70 PolarHBondContact O-N 3.25Å; D67-L70 PolarHBondContact O-N 3.35Å; L70-K72 PolarHBondContact O-N 3.32Å; L70-Q73 PolarHBondContact O-N 2.61Å; L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.85Å; L70-L122 HydrophobicContact CD2-CD2 3.72Å; L70-I159 HydrophobicContact CD1-CD1 3.96Å; L70-L162 HydrophobicContact CD1-CD2 4.29Å; L70-L163 HydrophobicContact CB-CD2 4.36Å; L70-L163 HydrophobicContact CD1-CD2 3.86Å; L70-L163 HydrophobicContact CD1-CG 4.4Å; L70-L163 HydrophobicContact CD2-CD2 4.07Å; L70-L163 HydrophobicContact CG-CD2 4.31Å; L70-I166 HydrophobicContact CB-CD1 3.64Å; L70-I166 HydrophobicContact CD1-CD1 4.23Å |
| 71 | E | 92.4 | Very high | 81 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 175.4 | -173.3 | 167.8 | 151.3 | 0 | 0 | 111.3 | D67 Y69 Q73 V74 V75 I166 N170 V171 | D67-E71 VanDerWaalsContact O-CB 3.31Å; D67-E71 WeakPolarHBondContact O-CB 3.42Å; D67-E71 PolarHBondContact O-N 2.74Å; Y69-E71 PolarHBondContact O-N 3.44Å; E71-Q73 PolarHBondContact O-N 2.9Å; E71-V74 PolarHBondContact O-N 3.07Å; E71-V75 HydrophobicContact CG-CG2 4.37Å; E71-V75 WeakPolarHBondContact O-CB 3.24Å; E71-V75 WeakPolarHBondContact O-CG2 3.45Å; E71-V75 PolarHBondContact O-N 3.31Å; E71-I166 HydrophobicContact CB-CG2 3.86Å; E71-I166 HydrophobicContact CG-CG2 4.16Å; E71-N170 PolarHBondContact OE2-ND2 3.27Å; E71-V171 HydrophobicContact CG-CG2 3.93Å |
| 72 | K | 90 | Very high | 81.3 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 37% | 0.365 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 176.6 | -175 | -177.9 | -177.2 | -177.4 | 0 | 112.4 | E64 S68 Y69 L70 V75 T76 | E64-K72 IonicContact OE1-NZ 3.15Å; E64-K72 PolarHBondContact OE1-NZ 3.28Å; E64-K72 VanDerWaalsContact OE2-CD 3.26Å; E64-K72 WeakPolarHBondContact OE2-CD 3.34Å; E64-K72 IonicContact OE2-NZ 3.47Å; E64-K72 PolarHBondContact OE2-NZ 3.27Å; S68-K72 WeakPolarHBondContact O-CB 3.41Å; S68-K72 PolarHBondContact O-N 2.94Å; Y69-K72 WeakPolarHBondContact O-CB 3.38Å; Y69-K72 PolarHBondContact O-N 3.31Å; L70-K72 PolarHBondContact O-N 3.32Å; K72-V75 PolarHBondContact O-N 2.89Å; K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.46Å; K72-T76 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-OG1 3.07Å |
| 73 | Q | 89.9 | Confident | 82 | Confident | 14 Ų | 14 | 63.7 Ų | 63.7 | 7% | 0.065 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.2 | -48.4 | 176 | -67.9 | -45 | -48.5 | 0 | 0 | 111.5 | I55 F56 S58 Y69 L70 E71 V75 T76 F77 | I55-Q73 WeakPolarHBondContact O-CB 3.45Å; F56-Q73 HydrophobicContact CD1-CB 4.25Å; S58-Q73 PolarHBondContact OG-NE2 2.99Å; S58-Q73 PolarHBondContact OG-OE1 3.35Å; Y69-Q73 HydrophobicContact CD1-CG 4.16Å; Y69-Q73 HydrophobicContact CE1-CG 3.72Å; Y69-Q73 HydrophobicContact CE2-CG 4.15Å; Y69-Q73 VanDerWaalsContact CE2-NE2 3.25Å; Y69-Q73 WeakPolarHBondContact O-CG 3.38Å; Y69-Q73 PolarHBondContact O-N 3.32Å; L70-Q73 PolarHBondContact O-N 2.61Å; E71-Q73 PolarHBondContact O-N 2.9Å; Q73-V75 PolarHBondContact O-N 3.4Å; Q73-T76 PolarHBondContact O-N 2.86Å; Q73-F77 PolarHBondContact O-N 2.67Å |
| 74 | V | 92.3 | Very high | 83 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.5 | -47 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | F56 L70 E71 T76 F77 L78 I93 I167 V171 | F56-V74 HydrophobicContact CE1-CG2 3.95Å; F56-V74 HydrophobicContact CZ-CG2 4.33Å; L70-V74 WeakPolarHBondContact O-CG2 3.42Å; L70-V74 PolarHBondContact O-N 2.85Å; E71-V74 PolarHBondContact O-N 3.07Å; V74-T76 PolarHBondContact O-N 3.18Å; V74-F77 PolarHBondContact O-N 3.19Å; V74-L78 HydrophobicContact CG1-CD1 4.09Å; V74-L78 VanDerWaalsContact O-CG 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.47Å; V74-I93 HydrophobicContact CG1-CD1 4.22Å; V74-I93 HydrophobicContact CG1-CG1 4.48Å; V74-I93 HydrophobicContact CG1-CG2 3.79Å; V74-I167 HydrophobicContact CG1-CG1 4.4Å; V74-I167 HydrophobicContact CG2-CG1 4.2Å; V74-V171 HydrophobicContact CG1-CG1 4.21Å; V74-V171 HydrophobicContact CG1-CG2 4.33Å |
| 75 | V | 92.2 | Very high | 84 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 21% | 0.212 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -42.7 | 178.2 | 167.5 | 0 | 0 | 0 | 0 | 111.3 | E71 K72 Q73 L78 D79 V171 K174 | E71-V75 HydrophobicContact CG-CG2 4.37Å; E71-V75 WeakPolarHBondContact O-CB 3.24Å; E71-V75 WeakPolarHBondContact O-CG2 3.45Å; E71-V75 PolarHBondContact O-N 3.31Å; K72-V75 PolarHBondContact O-N 2.89Å; Q73-V75 PolarHBondContact O-N 3.4Å; V75-L78 PolarHBondContact O-N 3.42Å; V75-D79 PolarHBondContact O-N 3.35Å; V75-V171 HydrophobicContact CG2-CG1 4.33Å; V75-V171 HydrophobicContact CG2-CG2 4.14Å; V75-K174 HydrophobicContact CG2-CD 4.45Å |
| 76 | T | 90.4 | Very high | 84.3 | Confident | 59 Ų | 59 | 55 Ų | 55 | 36% | 0.362 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 179.4 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | K72 Q73 V74 L78 D79 Y80 | K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.46Å; K72-T76 PolarHBondContact O-N 3.43Å; K72-T76 PolarHBondContact O-OG1 3.07Å; Q73-T76 PolarHBondContact O-N 2.86Å; V74-T76 PolarHBondContact O-N 3.18Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 2.99Å; T76-D79 PolarHBondContact O-N 2.92Å; T76-Y80 HydrophobicContact CG2-CD2 4.24Å; T76-Y80 PolarHBondContact O-N 3.29Å |
| 77 | F | 90.6 | Very high | 84.3 | Confident | 30 Ų | 30 | 58.7 Ų | 58.7 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.5 | 178 | -99.3 | 0 | 0 | 0 | 111.6 | I55 Q73 V74 D79 S81 L84 R89 L92 I93 | I55-F77 HydrophobicContact CD1-CD1 4.26Å; I55-F77 HydrophobicContact CD1-CD2 4.22Å; I55-F77 HydrophobicContact CD1-CE1 4.17Å; I55-F77 HydrophobicContact CD1-CE2 4.12Å; I55-F77 HydrophobicContact CD1-CG 4.28Å; I55-F77 HydrophobicContact CD1-CZ 4.09Å; I55-F77 HydrophobicContact CG1-CB 4.44Å; I55-F77 HydrophobicContact CG1-CD1 4.39Å; I55-F77 HydrophobicContact CG1-CD2 3.63Å; I55-F77 HydrophobicContact CG1-CE2 3.87Å; I55-F77 HydrophobicContact CG1-CG 3.9Å; I55-F77 HydrophobicContact CG1-CZ 4.35Å; I55-F77 HydrophobicContact CG2-CB 4.47Å; Q73-F77 PolarHBondContact O-N 2.67Å; V74-F77 PolarHBondContact O-N 3.19Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 3.29Å; F77-S81 PolarHBondContact O-N 3.02Å; F77-L84 HydrophobicContact CZ-CD1 4.05Å; F77-R89 HydrophobicContact CD1-CB 4.4Å; F77-R89 HydrophobicContact CE1-CB 3.88Å; F77-R89 HydrophobicContact CE1-CG 4.07Å; F77-R89 HydrophobicContact CZ-CG 4.24Å; F77-R89 VanDerWaalsContact O-CD 3.3Å; F77-R89 WeakPolarHBondContact O-CD 3.47Å; F77-R89 PolarHBondContact O-NE 3.38Å; F77-L92 HydrophobicContact CZ-CD1 4.31Å; F77-I93 HydrophobicContact CD1-CD1 3.71Å; F77-I93 HydrophobicContact CD1-CG1 3.65Å; F77-I93 HydrophobicContact CE1-CD1 4.14Å; F77-I93 HydrophobicContact CE1-CG1 3.93Å |
| 78 | L | 89.6 | Confident | 84.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 178.5 | -71.7 | 170.2 | 0 | 0 | 0 | 112.7 | V74 V75 T76 R89 Q90 I93 V171 K174 L175 | V74-L78 HydrophobicContact CG1-CD1 4.09Å; V74-L78 VanDerWaalsContact O-CG 3.31Å; V74-L78 WeakPolarHBondContact O-CG 3.42Å; V74-L78 PolarHBondContact O-N 3.47Å; V75-L78 PolarHBondContact O-N 3.42Å; T76-L78 VanDerWaalsContact C-N 3.34Å; T76-L78 PolarHBondContact O-N 2.99Å; L78-R89 HydrophobicContact CD2-CB 4.35Å; L78-R89 PolarHBondContact O-NE 2.98Å; L78-R89 PolarHBondContact O-NH2 3.36Å; L78-Q90 HydrophobicContact CD2-CG 4.05Å; L78-I93 HydrophobicContact CD2-CB 4.25Å; L78-I93 HydrophobicContact CD2-CG1 3.91Å; L78-I93 HydrophobicContact CG-CG1 4.22Å; L78-V171 HydrophobicContact CD1-CG1 3.63Å; L78-K174 HydrophobicContact CD1-CB 3.93Å; L78-K174 HydrophobicContact CD1-CD 4.17Å; L78-L175 HydrophobicContact CD1-CD2 4.37Å; L78-L175 HydrophobicContact CD2-CD2 4.17Å |
| 79 | D | 87.1 | Confident | 84.3 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -85.8 | -36.9 | -174.4 | -69.1 | -17.4 | 0 | 0 | 0 | 114.3 | V75 T76 F77 K174 | V75-D79 PolarHBondContact O-N 3.35Å; T76-D79 PolarHBondContact O-N 2.92Å; F77-D79 VanDerWaalsContact C-N 3.33Å; F77-D79 PolarHBondContact O-N 3.29Å; D79-K174 IonicContact OD1-NZ 2.69Å; D79-K174 PolarHBondContact OD1-NZ 2.95Å; D79-K174 IonicContact OD2-NZ 2.65Å; D79-K174 PolarHBondContact OD2-NZ 3.46Å |
| 80 | Y | 75.7 | Confident | 84.6 | Confident | 176 Ų | 176 | 59 Ų | 59 | 69% | 0.69 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -125.8 | -1.7 | -160.8 | -64.8 | -73.5 | 0 | 0 | 0 | 116.9 | T76 T82 | T76-Y80 HydrophobicContact CG2-CD2 4.24Å; T76-Y80 PolarHBondContact O-N 3.29Å; Y80-T82 PolarHBondContact O-N 3.42Å |
| 81 | S | 67.9 | Low | 84.6 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | trans | -67.7 | 120.9 | 178.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | F77 R89 | F77-S81 PolarHBondContact O-N 3.02Å; S81-R89 PolarHBondContact O-NH1 2.89Å | ||
| 82 | T | 60.6 | Low | 84.7 | Confident | 129 Ų | 129 | 56.7 Ų | 56.7 | 79% | 0.791 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -80.2 | -14.6 | -172 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | Y80 | Y80-T82 PolarHBondContact O-N 3.42Š|
| 83 | D | 66.6 | Low | 84.9 | Confident | 139 Ų | 139 | 52.7 Ų | 52.7 | 74% | 0.743 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -102.1 | -14.2 | -163.4 | -57.7 | -17 | 0 | 0 | 0 | 113.3 | ||
| 84 | L | 76.9 | Confident | 85.2 | Confident | 35 Ų | 35 | 52 Ų | 52 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -128 | 151.4 | -175 | -64.3 | 173.2 | 0 | 0 | 0 | 111.1 | F77 R89 L92 | F77-L84 HydrophobicContact CZ-CD1 4.05Å; L84-R89 HydrophobicContact CB-CG 3.78Å; L84-R89 HydrophobicContact CD1-CG 4.41Å; L84-R89 PolarHBondContact O-NH1 2.93Å; L84-L92 HydrophobicContact CD1-CD1 3.61Å |
| 85 | D | 83.4 | Confident | 85.4 | Confident | 98 Ų | 98 | 52 Ų | 52 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | trans | -72.8 | 155.6 | 173.2 | -176.9 | 37.6 | 0 | 0 | 0 | 111.9 | M87 E88 R89 | D85-M87 PolarHBondContact O-N 3.02Å; D85-M87 VanDerWaalsContact O-N 3.17Å; D85-E88 PolarHBondContact N-OE2 2.97Å; D85-E88 PolarHBondContact O-N 2.82Å; D85-R89 WeakPolarHBondContact O-CG 3.44Å; D85-R89 PolarHBondContact O-N 2.99Å | ||
| 86 | T | 84.8 | Confident | 85.6 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 41% | 0.411 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.5 | -37.2 | -178.7 | -52.2 | 0 | 0 | 0 | 0 | 112.3 | R89 Q90 | T86-R89 PolarHBondContact OG1-NH2 3.41Å; T86-Q90 WeakPolarHBondContact O-CG 3.49Å; T86-Q90 PolarHBondContact O-N 3.33Å |
| 87 | M | 85.8 | Confident | 85.9 | Confident | 82 Ų | 82 | 47.6 Ų | 47.6 | 40% | 0.404 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 178.1 | -171.8 | 167.6 | -178.5 | 0 | 0 | 112.1 | W2 D85 Q90 Q91 A177 | W2-M87 HydrophobicContact CB-CE 4.21Å; D85-M87 PolarHBondContact O-N 3.02Å; D85-M87 VanDerWaalsContact O-N 3.17Å; M87-Q90 PolarHBondContact O-N 2.89Å; M87-Q91 VanDerWaalsContact O-CG 3.27Å; M87-Q91 WeakPolarHBondContact O-CG 3.46Å; M87-Q91 PolarHBondContact O-N 3.08Å; M87-A177 HydrophobicContact CG-CB 4.45Å |
| 88 | E | 87 | Confident | 86.3 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 33% | 0.327 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.6 | -67.3 | 179.4 | 154 | 0 | 0 | 111.5 | D85 Q90 Q91 L92 | D85-E88 PolarHBondContact N-OE2 2.97Å; D85-E88 PolarHBondContact O-N 2.82Å; E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 2.76Å; E88-Q91 PolarHBondContact O-N 3.44Å; E88-L92 WeakPolarHBondContact O-CG 3.34Å; E88-L92 PolarHBondContact O-N 2.75Å |
| 89 | R | 89.6 | Confident | 86.6 | Confident | 22 Ų | 22 | 45.7 Ų | 45.7 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 175.1 | -62.7 | -168.2 | -53.9 | -98.9 | 3.9 | 112.1 | F77 L78 S81 L84 D85 T86 I93 | F77-R89 HydrophobicContact CD1-CB 4.4Å; F77-R89 HydrophobicContact CE1-CB 3.88Å; F77-R89 HydrophobicContact CE1-CG 4.07Å; F77-R89 HydrophobicContact CZ-CG 4.24Å; F77-R89 VanDerWaalsContact O-CD 3.3Å; F77-R89 WeakPolarHBondContact O-CD 3.47Å; F77-R89 PolarHBondContact O-NE 3.38Å; L78-R89 HydrophobicContact CD2-CB 4.35Å; L78-R89 PolarHBondContact O-NE 2.98Å; L78-R89 PolarHBondContact O-NH2 3.36Å; S81-R89 PolarHBondContact O-NH1 2.89Å; L84-R89 HydrophobicContact CB-CG 3.78Å; L84-R89 HydrophobicContact CD1-CG 4.41Å; L84-R89 PolarHBondContact O-NH1 2.93Å; D85-R89 WeakPolarHBondContact O-CG 3.44Å; D85-R89 PolarHBondContact O-N 2.99Å; T86-R89 PolarHBondContact OG1-NH2 3.41Å; R89-I93 WeakPolarHBondContact O-CG1 3.38Å; R89-I93 PolarHBondContact O-N 3.38Å; R89-I93 VanDerWaalsContact O-N 3.12Å |
| 90 | Q | 92.7 | Very high | 87.1 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 8% | 0.084 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 175.4 | -70.5 | -177.3 | 36.9 | 0 | 0 | 111.9 | L78 T86 M87 E88 F94 K174 L175 T176 | L78-Q90 HydrophobicContact CD2-CG 4.05Å; T86-Q90 WeakPolarHBondContact O-CG 3.49Å; T86-Q90 PolarHBondContact O-N 3.33Å; M87-Q90 PolarHBondContact O-N 2.89Å; E88-Q90 VanDerWaalsContact C-N 3.35Å; E88-Q90 PolarHBondContact O-N 2.76Å; Q90-F94 VanDerWaalsContact O-CB 3.25Å; Q90-F94 WeakPolarHBondContact O-CB 3.4Å; Q90-F94 PolarHBondContact O-N 3.04Å; Q90-K174 PolarHBondContact NE2-O 2.86Å; Q90-K174 PolarHBondContact OE1-O 3.47Å; Q90-L175 HydrophobicContact CB-CD2 3.96Å; Q90-L175 HydrophobicContact CG-CD2 4.05Å; Q90-L175 VanDerWaalsContact OE1-C 3.3Å; Q90-T176 VanDerWaalsContact OE1-N 3.17Å |
| 91 | Q | 91.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 33.5 Ų | 33.5 | 6% | 0.061 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 177.7 | -70.5 | 164.7 | -3 | 0 | 0 | 112.1 | W2 T31 M87 E88 F94 L95 I178 | W2-Q91 HydrophobicContact CD2-CG 3.81Å; W2-Q91 HydrophobicContact CE3-CG 4Å; W2-Q91 HydrophobicContact CG-CG 4.36Å; W2-Q91 HydrophobicContact CH2-CB 4.13Å; W2-Q91 HydrophobicContact CH2-CG 4.19Å; W2-Q91 HydrophobicContact CZ2-CB 4.1Å; W2-Q91 HydrophobicContact CZ2-CG 3.96Å; W2-Q91 HydrophobicContact CZ3-CB 4.44Å; W2-Q91 HydrophobicContact CZ3-CG 4.21Å; W2-Q91 VanDerWaalsContact NE1-NE2 3.19Å; T31-Q91 HydrophobicContact CG2-CB 3.78Å; M87-Q91 VanDerWaalsContact O-CG 3.27Å; M87-Q91 WeakPolarHBondContact O-CG 3.46Å; M87-Q91 PolarHBondContact O-N 3.08Å; E88-Q91 PolarHBondContact O-N 3.44Å; Q91-F94 PolarHBondContact O-N 2.93Å; Q91-L95 WeakPolarHBondContact O-CB 3.39Å; Q91-L95 VanDerWaalsContact O-CG 3.29Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.47Å; Q91-I178 HydrophobicContact CG-CD1 4.06Å |
| 92 | L | 92.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 177.9 | -76.7 | 170.9 | 0 | 0 | 0 | 111.9 | E30 F34 F77 L84 E88 F94 L95 L96 | E30-L92 HydrophobicContact CB-CD2 4.4Å; F34-L92 HydrophobicContact CB-CD2 4.3Å; F34-L92 HydrophobicContact CD1-CD2 3.91Å; F34-L92 HydrophobicContact CD2-CD2 4.11Å; F34-L92 HydrophobicContact CE1-CD2 4.23Å; F34-L92 HydrophobicContact CE2-CD2 4.42Å; F34-L92 HydrophobicContact CG-CD2 3.86Å; F34-L92 HydrophobicContact CZ-CD2 4.49Å; F77-L92 HydrophobicContact CZ-CD1 4.31Å; L84-L92 HydrophobicContact CD1-CD1 3.61Å; E88-L92 WeakPolarHBondContact O-CG 3.34Å; E88-L92 PolarHBondContact O-N 2.75Å; L92-F94 VanDerWaalsContact C-N 3.32Å; L92-F94 PolarHBondContact O-N 3.01Å; L92-L95 PolarHBondContact O-N 2.91Å; L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 PolarHBondContact O-N 3.11Å |
| 93 | I | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.1 | -69.9 | -59.8 | 0 | 0 | 0 | 110.9 | I55 V74 F77 L78 R89 L96 G97 I167 L175 | I55-I93 HydrophobicContact CD1-CD1 4.04Å; I55-I93 HydrophobicContact CG2-CD1 4.5Å; V74-I93 HydrophobicContact CG1-CD1 4.22Å; V74-I93 HydrophobicContact CG1-CG1 4.48Å; V74-I93 HydrophobicContact CG1-CG2 3.79Å; F77-I93 HydrophobicContact CD1-CD1 3.71Å; F77-I93 HydrophobicContact CD1-CG1 3.65Å; F77-I93 HydrophobicContact CE1-CD1 4.14Å; F77-I93 HydrophobicContact CE1-CG1 3.93Å; L78-I93 HydrophobicContact CD2-CB 4.25Å; L78-I93 HydrophobicContact CD2-CG1 3.91Å; L78-I93 HydrophobicContact CG-CG1 4.22Å; R89-I93 WeakPolarHBondContact O-CG1 3.38Å; R89-I93 PolarHBondContact O-N 3.38Å; R89-I93 VanDerWaalsContact O-N 3.12Å; I93-L96 HydrophobicContact CD1-CD2 4.37Å; I93-L96 WeakPolarHBondContact O-CB 3.28Å; I93-L96 PolarHBondContact O-N 3.2Å; I93-G97 PolarHBondContact O-N 3.41Å; I93-I167 HydrophobicContact CG2-CD1 4.48Å; I93-I167 HydrophobicContact CG2-CG1 4.19Å; I93-I167 HydrophobicContact CG2-CG2 3.67Å; I93-I167 WeakPolarHBondContact O-CG2 3.37Å; I93-L175 HydrophobicContact CB-CD2 4.41Å; I93-L175 HydrophobicContact CG2-CD1 4.49Å; I93-L175 HydrophobicContact CG2-CD2 4.1Å |
| 94 | F | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 175.2 | 171.6 | -107 | 0 | 0 | 0 | 112.3 | W2 I8 Q90 Q91 L92 L96 G97 V98 L168 I178 L181 W184 | W2-F94 AromaticContact CZ3-CD1 3.95Å; W2-F94 HydrophobicContact CZ3-CD1 3.95Å; W2-F94 HydrophobicContact CZ3-CE1 4.16Å; I8-F94 HydrophobicContact CD1-CE1 3.99Å; I8-F94 HydrophobicContact CG2-CE1 4.4Å; Q90-F94 VanDerWaalsContact O-CB 3.25Å; Q90-F94 WeakPolarHBondContact O-CB 3.4Å; Q90-F94 PolarHBondContact O-N 3.04Å; Q91-F94 PolarHBondContact O-N 2.93Å; L92-F94 VanDerWaalsContact C-N 3.32Å; L92-F94 PolarHBondContact O-N 3.01Å; F94-L96 VanDerWaalsContact C-N 3.29Å; F94-L96 PolarHBondContact O-N 3.27Å; F94-G97 PolarHBondContact O-N 3.17Å; F94-G97 VanDerWaalsContact O-N 3.1Å; F94-V98 HydrophobicContact CD2-CG2 4.23Å; F94-V98 HydrophobicContact CE1-CG2 4.11Å; F94-V98 HydrophobicContact CE2-CG2 3.79Å; F94-V98 HydrophobicContact CZ-CG2 3.74Å; F94-V98 WeakPolarHBondContact O-CG2 3.43Å; F94-V98 PolarHBondContact O-N 2.91Å; F94-L168 HydrophobicContact CD2-CD2 4.05Å; F94-L168 HydrophobicContact CE2-CD2 4.24Å; F94-I178 HydrophobicContact CB-CD1 4.46Å; F94-I178 HydrophobicContact CB-CG1 4.13Å; F94-I178 HydrophobicContact CD1-CD1 4.5Å; F94-I178 HydrophobicContact CD1-CG2 4.02Å; F94-I178 HydrophobicContact CD2-CG2 3.85Å; F94-I178 HydrophobicContact CE1-CG2 3.96Å; F94-I178 HydrophobicContact CE2-CG2 3.78Å; F94-I178 HydrophobicContact CG-CG1 4.19Å; F94-I178 HydrophobicContact CG-CG2 3.94Å; F94-I178 HydrophobicContact CZ-CG2 3.82Å; F94-L181 HydrophobicContact CD2-CD1 4.12Å; F94-L181 HydrophobicContact CE2-CD1 4.34Å; F94-W184 HydrophobicContact CE2-CB 4.15Å; F94-W184 AromaticContact CE2-CD1 3.73Å; F94-W184 HydrophobicContact CE2-CG 4.04Å; F94-W184 AromaticContact CZ-CD1 3.41Å; F94-W184 VanDerWaalsContact CZ-CD1 3.41Å; F94-W184 HydrophobicContact CZ-CG 4.1Å; F94-W184 AromaticContact CZ-NE1 3.81Å |
| 95 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.5 | -40.2 | 176.3 | -72.1 | 171.6 | 0 | 0 | 0 | 111.7 | W2 I8 T31 F34 L35 L38 Q91 L92 V98 S99 | W2-L95 HydrophobicContact CH2-CD1 4.01Å; W2-L95 HydrophobicContact CH2-CD2 4.01Å; W2-L95 HydrophobicContact CH2-CG 4Å; I8-L95 HydrophobicContact CD1-CD2 3.61Å; I8-L95 HydrophobicContact CG1-CD2 4.37Å; T31-L95 HydrophobicContact CG2-CD1 3.87Å; F34-L95 HydrophobicContact CB-CB 4.35Å; F34-L95 HydrophobicContact CB-CD1 3.71Å; F34-L95 HydrophobicContact CD1-CB 4.39Å; L35-L95 HydrophobicContact CB-CD1 4.32Å; L35-L95 HydrophobicContact CD1-CD2 4.2Å; L38-L95 HydrophobicContact CD1-CD2 3.67Å; Q91-L95 WeakPolarHBondContact O-CB 3.39Å; Q91-L95 VanDerWaalsContact O-CG 3.29Å; Q91-L95 WeakPolarHBondContact O-CG 3.34Å; Q91-L95 PolarHBondContact O-N 3.47Å; L92-L95 PolarHBondContact O-N 2.91Å; L95-V98 PolarHBondContact O-N 3.48Å; L95-S99 VanDerWaalsContact O-CB 3.27Å; L95-S99 WeakPolarHBondContact O-CB 3.12Å; L95-S99 PolarHBondContact O-N 3.3Å; L95-S99 PolarHBondContact O-OG 3.33Å |
| 96 | L | 96.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 174.1 | 179.7 | 63.7 | 0 | 0 | 0 | 111.7 | I46 F47 T52 F56 L92 I93 F94 S99 S100 I167 | I46-L96 HydrophobicContact CG2-CD1 4.24Å; F47-L96 HydrophobicContact CD1-CD1 4.28Å; F47-L96 HydrophobicContact CE1-CD1 3.87Å; F47-L96 HydrophobicContact CZ-CD1 4.15Å; T52-L96 HydrophobicContact CG2-CD1 3.79Å; T52-L96 HydrophobicContact CG2-CD2 4.42Å; F56-L96 HydrophobicContact CE2-CD2 3.72Å; F56-L96 HydrophobicContact CZ-CD2 3.85Å; L92-L96 WeakPolarHBondContact O-CB 3.47Å; L92-L96 PolarHBondContact O-N 3.11Å; I93-L96 HydrophobicContact CD1-CD2 4.37Å; I93-L96 WeakPolarHBondContact O-CB 3.28Å; I93-L96 PolarHBondContact O-N 3.2Å; F94-L96 VanDerWaalsContact C-N 3.29Å; F94-L96 PolarHBondContact O-N 3.27Å; L96-S99 PolarHBondContact O-N 3.48Å; L96-S100 WeakPolarHBondContact O-CB 3.34Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 3.11Å; L96-I167 HydrophobicContact CB-CD1 4.44Å; L96-I167 HydrophobicContact CD2-CD1 4.18Å; L96-I167 HydrophobicContact CG-CD1 4.07Å |
| 97 | G | 97.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | I93 F94 S100 L101 | I93-G97 PolarHBondContact O-N 3.41Å; F94-G97 PolarHBondContact O-N 3.17Å; F94-G97 VanDerWaalsContact O-N 3.1Å; G97-S100 WeakPolarHBondContact O-CB 3.02Å; G97-S100 PolarHBondContact O-N 3.03Å; G97-L101 PolarHBondContact O-N 3.4Å; G97-L101 VanDerWaalsContact O-N 3.1Å |
| 98 | V | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 175.2 | 175.3 | 0 | 0 | 0 | 0 | 110.8 | I8 L38 F94 L95 S100 L101 Q102 W184 | I8-V98 HydrophobicContact CG2-CG1 4.14Å; I8-V98 HydrophobicContact CG2-CG2 4.44Å; L38-V98 HydrophobicContact CD1-CB 4.08Å; L38-V98 HydrophobicContact CD1-CG1 3.82Å; F94-V98 HydrophobicContact CD2-CG2 4.23Å; F94-V98 HydrophobicContact CE1-CG2 4.11Å; F94-V98 HydrophobicContact CE2-CG2 3.79Å; F94-V98 HydrophobicContact CZ-CG2 3.74Å; F94-V98 WeakPolarHBondContact O-CG2 3.43Å; F94-V98 PolarHBondContact O-N 2.91Å; L95-V98 PolarHBondContact O-N 3.48Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 3.16Å; V98-L101 PolarHBondContact O-N 3.48Å; V98-Q102 HydrophobicContact CG1-CG 4.2Å; V98-Q102 WeakPolarHBondContact O-CG 3.43Å; V98-Q102 PolarHBondContact O-N 2.89Å; V98-W184 HydrophobicContact CG1-CD2 4.15Å; V98-W184 HydrophobicContact CG1-CE3 4.02Å; V98-W184 HydrophobicContact CG1-CH2 3.48Å; V98-W184 VanDerWaalsContact CG1-CH2 3.48Å; V98-W184 HydrophobicContact CG1-CZ2 3.61Å; V98-W184 HydrophobicContact CG1-CZ3 3.71Å; V98-W184 HydrophobicContact CG2-CD2 3.65Å; V98-W184 HydrophobicContact CG2-CE3 4.04Å; V98-W184 HydrophobicContact CG2-CG 3.88Å; V98-W184 HydrophobicContact CG2-CZ2 4.37Å |
| 99 | S | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 178.5 | -56.4 | 0 | 0 | 0 | 0 | 112 | I46 L95 L96 L101 Q102 L103 | I46-S99 WeakPolarHBondContact CD1-OG 3.28Å; L95-S99 VanDerWaalsContact O-CB 3.27Å; L95-S99 WeakPolarHBondContact O-CB 3.12Å; L95-S99 PolarHBondContact O-N 3.3Å; L95-S99 PolarHBondContact O-OG 3.33Å; L96-S99 PolarHBondContact O-N 3.48Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 2.88Å; S99-Q102 PolarHBondContact O-N 3.47Å; S99-L103 VanDerWaalsContact O-CB 3.22Å; S99-L103 WeakPolarHBondContact O-CB 3.48Å; S99-L103 PolarHBondContact O-N 2.88Å |
| 100 | S | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -58.6 | -46 | 172.6 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | F47 L96 G97 V98 F104 L160 | F47-S100 WeakPolarHBondContact CZ-OG 3.29Å; L96-S100 WeakPolarHBondContact O-CB 3.34Å; L96-S100 PolarHBondContact O-N 3.02Å; L96-S100 PolarHBondContact O-OG 3.11Å; G97-S100 WeakPolarHBondContact O-CB 3.02Å; G97-S100 PolarHBondContact O-N 3.03Å; V98-S100 VanDerWaalsContact C-N 3.32Å; V98-S100 PolarHBondContact O-N 3.16Å; S100-F104 VanDerWaalsContact O-CB 3.29Å; S100-F104 WeakPolarHBondContact O-CB 3.43Å; S100-F104 PolarHBondContact O-N 3.44Å; S100-L160 WeakPolarHBondContact CB-O 3.34Å |
| 101 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 2.5 Ų | 2.5 | 0% | 0 | 1% | 0.012 | C | C | . | . | H | α-helix | trans | -66.3 | -46.6 | 178.1 | -177.4 | 62.2 | 0 | 0 | 0 | 111.7 | G97 V98 S99 F104 V105 L161 A164 L168 W184 R187 C188 I191 | G97-L101 PolarHBondContact O-N 3.4Å; G97-L101 VanDerWaalsContact O-N 3.1Å; V98-L101 PolarHBondContact O-N 3.48Å; S99-L101 VanDerWaalsContact C-N 3.34Å; S99-L101 PolarHBondContact O-N 2.88Å; L101-F104 WeakPolarHBondContact O-CB 3.26Å; L101-F104 PolarHBondContact O-N 3Å; L101-V105 WeakPolarHBondContact O-CG2 3.23Å; L101-V105 PolarHBondContact O-N 3.4Å; L101-L161 HydrophobicContact CD1-CD1 4.27Å; L101-A164 HydrophobicContact CB-CB 3.98Å; L101-L168 HydrophobicContact CD2-CD1 4.43Å; L101-W184 HydrophobicContact CD2-CE3 3.97Å; L101-W184 HydrophobicContact CD2-CZ3 4.1Å; L101-R187 HydrophobicContact CD2-CB 4.03Å; L101-C188 HydrophobicContact CD1-CB 4.34Å; L101-C188 HydrophobicContact CD2-CB 4.04Å; L101-I191 HydrophobicContact CD1-CB 4.09Å; L101-I191 HydrophobicContact CD1-CG1 4.15Å; L101-I191 HydrophobicContact CD1-CG2 4.15Å |
| 102 | Q | 97.3 | Very high | 96.2 | Very high | 13 Ų | 13 | 2.7 Ų | 2.7 | 6% | 0.061 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -66.3 | -40.7 | -178 | -66 | -71.7 | 40.9 | 0 | 0 | 112 | Y43 V98 S99 F104 V105 Q106 W184 Y432 | Y43-Q102 HydrophobicContact CD1-CB 4.23Å; Y43-Q102 HydrophobicContact CD2-CB 4.1Å; Y43-Q102 HydrophobicContact CE1-CB 3.91Å; Y43-Q102 HydrophobicContact CE1-CG 4.3Å; Y43-Q102 HydrophobicContact CE2-CB 3.74Å; Y43-Q102 HydrophobicContact CG-CB 4.33Å; V98-Q102 HydrophobicContact CG1-CG 4.2Å; V98-Q102 WeakPolarHBondContact O-CG 3.43Å; V98-Q102 PolarHBondContact O-N 2.89Å; S99-Q102 PolarHBondContact O-N 3.47Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 3.2Å; Q102-V105 PolarHBondContact O-N 3.28Å; Q102-Q106 WeakPolarHBondContact O-CB 3.45Å; Q102-Q106 PolarHBondContact O-N 3.39Å; Q102-W184 HydrophobicContact CG-CH2 4.45Å; Q102-Y432 PolarHBondContact OE1-OH 3.14Å |
| 103 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -67.9 | -33.5 | 175.8 | -169.4 | 63.6 | 0 | 0 | 0 | 111.8 | E44 F47 S99 Q106 S107 V114 L116 L160 | E44-L103 HydrophobicContact CG-CD1 3.9Å; E44-L103 HydrophobicContact CG-CD2 4.37Å; F47-L103 HydrophobicContact CD2-CD2 3.82Å; F47-L103 HydrophobicContact CE2-CD2 3.76Å; S99-L103 VanDerWaalsContact O-CB 3.22Å; S99-L103 WeakPolarHBondContact O-CB 3.48Å; S99-L103 PolarHBondContact O-N 2.88Å; L103-Q106 PolarHBondContact O-N 3.35Å; L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 2.75Å; L103-S107 PolarHBondContact O-OG 3.4Å; L103-V114 HydrophobicContact CD1-CB 4.2Å; L103-V114 HydrophobicContact CD1-CG1 3.66Å; L103-V114 HydrophobicContact CD1-CG2 3.42Å; L103-V114 VanDerWaalsContact CD1-CG2 3.42Å; L103-V114 HydrophobicContact CD2-CG1 4.19Å; L103-V114 HydrophobicContact CG-CG1 4Å; L103-V114 HydrophobicContact CG-CG2 4.2Å; L103-L116 HydrophobicContact CD2-CD2 3.54Å; L103-L160 HydrophobicContact CB-CD1 4.06Å; L103-L160 HydrophobicContact CD2-CD1 3.8Å; L103-L160 HydrophobicContact CD2-CD2 4.19Å; L103-L160 HydrophobicContact CG-CD1 3.73Å |
| 104 | F | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 171.3 | -178.9 | -102.1 | 0 | 0 | 0 | 112.2 | S100 L101 Q102 Q106 S107 N108 W109 T155 S156 L160 L161 I191 L195 | S100-F104 VanDerWaalsContact O-CB 3.29Å; S100-F104 WeakPolarHBondContact O-CB 3.43Å; S100-F104 PolarHBondContact O-N 3.44Å; L101-F104 WeakPolarHBondContact O-CB 3.26Å; L101-F104 PolarHBondContact O-N 3Å; Q102-F104 VanDerWaalsContact C-N 3.31Å; Q102-F104 PolarHBondContact O-N 3.2Å; F104-Q106 VanDerWaalsContact C-N 3.34Å; F104-S107 PolarHBondContact O-N 3.29Å; F104-N108 WeakPolarHBondContact CD2-ND2 3.45Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.46Å; F104-N108 PolarHBondContact O-N 3.4Å; F104-N108 PolarHBondContact O-ND2 2.8Å; F104-W109 HydrophobicContact CD1-CZ3 4.23Å; F104-W109 HydrophobicContact CE1-CH2 4.17Å; F104-W109 AromaticContact CE1-CZ3 3.61Å; F104-W109 HydrophobicContact CE1-CZ3 3.61Å; F104-W109 HydrophobicContact CZ-CZ3 4.25Å; F104-T155 HydrophobicContact CE2-CG2 3.68Å; F104-T155 HydrophobicContact CZ-CG2 3.62Å; F104-S156 WeakPolarHBondContact CE2-O 3.47Å; F104-L160 HydrophobicContact CB-CB 3.91Å; F104-L160 HydrophobicContact CD2-CB 4.32Å; F104-L161 HydrophobicContact CD1-CB 3.95Å; F104-L161 HydrophobicContact CD1-CD1 4.21Å; F104-L161 HydrophobicContact CD1-CD2 4.42Å; F104-L161 HydrophobicContact CD1-CG 4.42Å; F104-L161 HydrophobicContact CD2-CB 3.83Å; F104-L161 HydrophobicContact CE1-CB 4.01Å; F104-L161 HydrophobicContact CE1-CD1 4.36Å; F104-L161 HydrophobicContact CE1-CD2 3.81Å; F104-L161 HydrophobicContact CE1-CG 4.29Å; F104-L161 HydrophobicContact CE2-CB 3.89Å; F104-L161 HydrophobicContact CG-CB 3.86Å; F104-L161 HydrophobicContact CZ-CB 4Å; F104-L161 HydrophobicContact CZ-CD2 3.94Å; F104-I191 HydrophobicContact CD1-CG2 3.75Å; F104-I191 HydrophobicContact CE1-CG2 3.65Å; F104-L195 HydrophobicContact CE1-CD1 4.1Å; F104-L195 HydrophobicContact CZ-CD1 3.72Å; F104-L195 HydrophobicContact CZ-CD2 4.21Å; F104-L195 HydrophobicContact CZ-CG 4.47Å |
| 105 | V | 97.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61 | -44 | 173.7 | 167.9 | 0 | 0 | 0 | 0 | 110.5 | L101 Q102 S107 N108 W109 T110 I191 L428 F431 | L101-V105 WeakPolarHBondContact O-CG2 3.23Å; L101-V105 PolarHBondContact O-N 3.4Å; Q102-V105 PolarHBondContact O-N 3.28Å; V105-S107 VanDerWaalsContact C-N 3.31Å; V105-S107 PolarHBondContact O-N 3.45Å; V105-N108 PolarHBondContact O-N 3.26Å; V105-W109 HydrophobicContact CG1-CB 4.13Å; V105-W109 WeakPolarHBondContact O-CA 3.14Å; V105-W109 WeakPolarHBondContact O-CB 3.09Å; V105-W109 PolarHBondContact O-N 3.32Å; V105-T110 HydrophobicContact CG1-CG2 4.26Å; V105-T110 PolarHBondContact O-N 2.88Å; V105-I191 HydrophobicContact CG2-CD1 3.86Å; V105-I191 HydrophobicContact CG2-CG1 3.96Å; V105-I191 HydrophobicContact CG2-CG2 4.46Å; V105-L428 HydrophobicContact CG1-CD2 3.8Å; V105-F431 HydrophobicContact CB-CE1 4.48Å; V105-F431 HydrophobicContact CG1-CD1 4.01Å; V105-F431 HydrophobicContact CG1-CE1 3.45Å; V105-F431 VanDerWaalsContact CG1-CE1 3.45Å; V105-F431 HydrophobicContact CG1-CE2 4.05Å; V105-F431 HydrophobicContact CG1-CZ 3.48Å; V105-F431 VanDerWaalsContact CG1-CZ 3.48Å; V105-F431 HydrophobicContact CG2-CE1 4.14Å |
| 106 | Q | 96.1 | Very high | 95 | Very high | 11 Ų | 11 | 12.9 Ų | 12.9 | 5% | 0.051 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -56.8 | -46 | 173.9 | -175.4 | -172.6 | -24.9 | 0 | 0 | 111.6 | Q102 L103 F104 N108 T110 G111 P112 V114 V424 | Q102-Q106 WeakPolarHBondContact O-CB 3.45Å; Q102-Q106 PolarHBondContact O-N 3.39Å; L103-Q106 PolarHBondContact O-N 3.35Å; F104-Q106 VanDerWaalsContact C-N 3.34Å; Q106-N108 PolarHBondContact O-N 2.87Å; Q106-N108 VanDerWaalsContact O-N 3.16Å; Q106-T110 WeakPolarHBondContact CA-OG1 3.34Å; Q106-G111 WeakPolarHBondContact O-CA 3.34Å; Q106-G111 PolarHBondContact O-N 2.78Å; Q106-P112 PolarHBondContact NE2-O 2.88Å; Q106-V114 HydrophobicContact CB-CG2 4.26Å; Q106-V114 HydrophobicContact CG-CG2 3.89Å; Q106-V424 HydrophobicContact CG-CG1 4.23Å; Q106-V424 HydrophobicContact CG-CG2 4.3Å |
| 107 | S | 95.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 17 Ų | 17 | 4% | 0.035 | 9% | 0.092 | C | C | . | . | I | π-helix | trans | -66.2 | -15.9 | -177.5 | -59.9 | 0 | 0 | 0 | 0 | 114.6 | L103 F104 V105 V114 F417 | L103-S107 WeakPolarHBondContact O-CB 3.45Å; L103-S107 PolarHBondContact O-N 2.75Å; L103-S107 PolarHBondContact O-OG 3.4Å; F104-S107 PolarHBondContact O-N 3.29Å; V105-S107 VanDerWaalsContact C-N 3.31Å; V105-S107 PolarHBondContact O-N 3.45Å; S107-V114 WeakPolarHBondContact OG-CG2 3.5Å; S107-F417 WeakPolarHBondContact O-CZ 3.33Å |
| 108 | N | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -135.5 | -24.5 | -166.9 | -70.5 | -77.4 | 0 | 0 | 0 | 114.8 | F104 V105 Q106 S156 H439 W440 | F104-N108 WeakPolarHBondContact CD2-ND2 3.45Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.46Å; F104-N108 PolarHBondContact O-N 3.4Å; F104-N108 PolarHBondContact O-ND2 2.8Å; V105-N108 PolarHBondContact O-N 3.26Å; Q106-N108 PolarHBondContact O-N 2.87Å; Q106-N108 VanDerWaalsContact O-N 3.16Å; N108-S156 PolarHBondContact ND2-O 3.22Å; N108-S156 PolarHBondContact OD1-N 3.3Å; N108-H439 PolarHBondContact O-CD2 3.31Å; N108-H439 PolarHBondContact O-N 2.81Å; N108-W440 HydrophobicContact CB-CH2 4.06Å; N108-W440 HydrophobicContact CB-CZ3 3.69Å; N108-W440 WeakPolarHBondContact OD1-CZ3 3.42Å |
| 109 | W | 96.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 23 Ų | 23 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -115.1 | -58.3 | -178.6 | -81.3 | -103.4 | 0 | 0 | 0 | 112.6 | F104 V105 I191 H194 L195 F431 V436 P438 W440 | F104-W109 HydrophobicContact CD1-CZ3 4.23Å; F104-W109 HydrophobicContact CE1-CH2 4.17Å; F104-W109 AromaticContact CE1-CZ3 3.61Å; F104-W109 HydrophobicContact CE1-CZ3 3.61Å; F104-W109 HydrophobicContact CZ-CZ3 4.25Å; V105-W109 HydrophobicContact CG1-CB 4.13Å; V105-W109 WeakPolarHBondContact O-CA 3.14Å; V105-W109 WeakPolarHBondContact O-CB 3.09Å; V105-W109 PolarHBondContact O-N 3.32Å; W109-I191 HydrophobicContact CH2-CG2 3.98Å; W109-I191 HydrophobicContact CZ2-CD1 4.41Å; W109-I191 HydrophobicContact CZ3-CG2 4.1Å; W109-H194 HydrophobicContact CZ2-CB 3.9Å; W109-L195 HydrophobicContact CH2-CD2 3.74Å; W109-L195 HydrophobicContact CH2-CG 4.36Å; W109-L195 HydrophobicContact CZ3-CD2 4.39Å; W109-F431 HydrophobicContact CB-CE2 3.84Å; W109-F431 HydrophobicContact CB-CZ 3.89Å; W109-F431 AromaticContact CD1-CE2 3.96Å; W109-F431 AromaticContact CD1-CZ 3.74Å; W109-F431 HydrophobicContact CG-CE2 4.1Å; W109-F431 AromaticContact CG-CZ 3.79Å; W109-F431 HydrophobicContact CG-CZ 3.79Å; W109-V436 PolarHBondContact NE1-O 2.72Å; W109-P438 HydrophobicContact CD2-CB 4.05Å; W109-P438 HydrophobicContact CG-CB 4.36Å; W109-P438 HydrophobicContact CZ2-CB 3.97Å; W109-P438 HydrophobicContact CZ2-CG 4.31Å; W109-W440 HydrophobicContact CH2-CH2 4.08Å; W109-W440 HydrophobicContact CZ3-CH2 4.24Å |
| 110 | T | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -92.9 | -35.3 | -167 | 58.3 | 0 | 0 | 0 | 0 | 112.7 | V105 Q106 W382 R427 L428 F431 | V105-T110 HydrophobicContact CG1-CG2 4.26Å; V105-T110 PolarHBondContact O-N 2.88Å; Q106-T110 WeakPolarHBondContact CA-OG1 3.34Å; T110-W382 HydrophobicContact CG2-CH2 4.35Å; T110-W382 HydrophobicContact CG2-CZ3 3.95Å; T110-R427 HydrophobicContact CG2-CB 4.14Å; T110-R427 WeakPolarHBondContact O-CD 3.47Å; T110-R427 PolarHBondContact O-NH1 3.05Å; T110-L428 HydrophobicContact CG2-CD2 4.06Å; T110-F431 HydrophobicContact CG2-CD2 3.79Å; T110-F431 HydrophobicContact CG2-CE2 3.92Å |
| 111 | G | 93.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | 66.3 | -177.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q106 R427 | Q106-G111 WeakPolarHBondContact O-CA 3.34Å; Q106-G111 PolarHBondContact O-N 2.78Å; G111-R427 WeakPolarHBondContact O-CD 3.39Å | ||
| 112 | P | 92.9 | Very high | 91.9 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 12% | 0.117 | 14% | 0.138 | C | C | . | . | S | Bend | cis | -66.7 | 165.1 | -7.3 | 27.7 | -35.3 | 0 | 0 | 0 | 113.3 | Q106 F417 K420 | Q106-P112 PolarHBondContact NE2-O 2.88Å; P112-F417 WeakPolarHBondContact CA-O 3.39Å; P112-K420 HydrophobicContact CB-CG 3.95Å; P112-K420 HydrophobicContact CG-CG 4.44Å |
| 113 | P | 89.6 | Confident | 91.2 | Very high | 68 Ų | 68 | 26 Ų | 26 | 44% | 0.442 | 14% | 0.137 | S | C | . | . | P | Polyproline II helix | trans | -53.3 | 138.9 | 176.3 | -25.6 | 33.6 | 0 | 0 | 0 | 112.7 | F417 | P113-F417 HydrophobicContact CG-CD1 4.49Å; P113-F417 HydrophobicContact CG-CE1 4.07Å |
| 114 | V | 89.8 | Confident | 90.3 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 9% | 0.091 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -92.4 | 132.1 | -174.7 | 166.8 | 0 | 0 | 0 | 0 | 110.6 | E44 L103 Q106 S107 L116 | E44-V114 HydrophobicContact CG-CG1 4.17Å; E44-V114 WeakPolarHBondContact OE1-CG1 3.44Å; L103-V114 HydrophobicContact CD1-CB 4.2Å; L103-V114 HydrophobicContact CD1-CG1 3.66Å; L103-V114 HydrophobicContact CD1-CG2 3.42Å; L103-V114 VanDerWaalsContact CD1-CG2 3.42Å; L103-V114 HydrophobicContact CD2-CG1 4.19Å; L103-V114 HydrophobicContact CG-CG1 4Å; L103-V114 HydrophobicContact CG-CG2 4.2Å; Q106-V114 HydrophobicContact CB-CG2 4.26Å; Q106-V114 HydrophobicContact CG-CG2 3.89Å; S107-V114 WeakPolarHBondContact OG-CG2 3.5Å; V114-L116 HydrophobicContact CG1-CB 3.7Å; V114-L116 PolarHBondContact O-N 3.01Å |
| 115 | D | 87.3 | Confident | 89.2 | Confident | 126 Ų | 126 | 33.1 Ų | 33.1 | 67% | 0.674 | 18% | 0.184 | S | C | * | . | trans | -103 | 54.2 | 179.7 | -161.3 | 21.6 | 0 | 0 | 0 | 111.5 | E44 H117 | E44-D115 PolarHBondContact OE1-N 2.98Å; D115-H117 IonicContact OD1-NE2 3.66Å | ||
| 116 | L | 89.1 | Confident | 88.2 | Confident | 5 Ų | 5 | 33.9 Ų | 33.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | trans | -115.9 | 121.9 | 177.6 | -176.8 | 70.3 | 0 | 0 | 0 | 110.3 | F47 L48 L103 V114 D120 F121 K157 L160 | F47-L116 HydrophobicContact CB-CD1 4.11Å; F47-L116 HydrophobicContact CB-CD2 3.82Å; F47-L116 HydrophobicContact CD1-CD2 4.45Å; F47-L116 HydrophobicContact CD2-CD2 3.91Å; F47-L116 HydrophobicContact CG-CD2 3.8Å; L48-L116 HydrophobicContact CD2-CD1 4.09Å; L48-L116 HydrophobicContact CG-CD1 4.39Å; L103-L116 HydrophobicContact CD2-CD2 3.54Å; V114-L116 HydrophobicContact CG1-CB 3.7Å; V114-L116 PolarHBondContact O-N 3.01Å; L116-D120 HydrophobicContact CD1-CB 4.18Å; L116-F121 HydrophobicContact CD1-CD1 4.27Å; L116-F121 HydrophobicContact CD2-CD1 4.14Å; L116-F121 HydrophobicContact CD2-CE1 3.86Å; L116-F121 HydrophobicContact CG-CD1 4.26Å; L116-F121 HydrophobicContact CG-CE1 4.13Å; L116-K157 WeakPolarHBondContact O-CE 3.32Å; L116-K157 PolarHBondContact O-NZ 2.8Å; L116-L160 HydrophobicContact CD2-CD2 4.31Å | ||
| 117 | H | 87.4 | Confident | 87.3 | Confident | 89 Ų | 89 | 34.5 Ų | 34.5 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | trans | -95.3 | 142.5 | 174.6 | -68 | -79.2 | 0 | 0 | 0 | 111 | D115 Q119 D120 | D115-H117 IonicContact OD1-NE2 3.66Å; H117-Q119 PolarHBondContact O-N 2.88Å; H117-D120 WeakPolarHBondContact CA-OD2 3.46Å; H117-D120 WeakPolarHBondContact CB-OD2 3.39Å; H117-D120 PolarHBondContact N-OD2 3Å; H117-D120 VanDerWaalsContact O-CB 3.3Å; H117-D120 WeakPolarHBondContact O-CB 3.19Å; H117-D120 PolarHBondContact O-N 3.15Å | ||
| 118 | P | 86.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -56.3 | -27.6 | 176.7 | -27 | 35.6 | 0 | 0 | 0 | 113.5 | D120 F121 L122 F127 L136 I159 | P118-D120 PolarHBondContact O-N 3.44Å; P118-F121 PolarHBondContact O-N 3.45Å; P118-L122 HydrophobicContact CB-CD1 4.25Å; P118-L122 WeakPolarHBondContact O-CB 3.15Å; P118-L122 WeakPolarHBondContact O-CG 3.42Å; P118-L122 PolarHBondContact O-N 3.41Å; P118-F127 HydrophobicContact CB-CE1 3.86Å; P118-F127 HydrophobicContact CB-CZ 3.69Å; P118-L136 HydrophobicContact CB-CD2 4.29Å; P118-I159 HydrophobicContact CG-CG2 4.17Å |
| 119 | Q | 85.9 | Confident | 85 | Confident | 120 Ų | 120 | 47.2 Ų | 47.2 | 56% | 0.561 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -67.7 | -18.9 | 177.7 | -64.5 | 175.1 | 11 | 0 | 0 | 113.3 | H117 F121 F127 | H117-Q119 PolarHBondContact O-N 2.88Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 2.77Å; Q119-F127 HydrophobicContact CB-CE2 4.47Å; Q119-F127 HydrophobicContact CB-CZ 4.43Å; Q119-F127 HydrophobicContact CG-CD1 4.23Å; Q119-F127 HydrophobicContact CG-CD2 4.2Å; Q119-F127 HydrophobicContact CG-CE1 3.92Å; Q119-F127 HydrophobicContact CG-CE2 3.89Å; Q119-F127 HydrophobicContact CG-CG 4.36Å; Q119-F127 HydrophobicContact CG-CZ 3.75Å |
| 120 | D | 86.9 | Confident | 83.8 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 32% | 0.316 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -74.4 | -21.6 | -177.7 | -56.3 | -30.6 | 0 | 0 | 0 | 112.2 | L48 Q53 L116 H117 P118 | L48-D120 HydrophobicContact CD2-CB 3.75Å; Q53-D120 PolarHBondContact NE2-O 3.4Å; L116-D120 HydrophobicContact CD1-CB 4.18Å; H117-D120 WeakPolarHBondContact CA-OD2 3.46Å; H117-D120 WeakPolarHBondContact CB-OD2 3.39Å; H117-D120 PolarHBondContact N-OD2 3Å; H117-D120 VanDerWaalsContact O-CB 3.3Å; H117-D120 WeakPolarHBondContact O-CB 3.19Å; H117-D120 PolarHBondContact O-N 3.15Å; P118-D120 PolarHBondContact O-N 3.44Å |
| 121 | F | 87.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | -10.3 | -176.8 | 68.6 | -91.3 | 0 | 0 | 0 | 115 | F47 F56 L116 P118 Q119 I159 L160 L163 | F47-F121 HydrophobicContact CB-CB 4.35Å; F47-F121 HydrophobicContact CB-CD1 4.18Å; F47-F121 HydrophobicContact CB-CG 4.32Å; F47-F121 HydrophobicContact CD1-CD1 4.05Å; F47-F121 AromaticContact CD1-CD2 3.95Å; F47-F121 HydrophobicContact CD1-CD2 3.95Å; F47-F121 HydrophobicContact CD1-CE1 4.23Å; F47-F121 HydrophobicContact CD1-CE2 4.15Å; F47-F121 AromaticContact CD1-CG 3.9Å; F47-F121 HydrophobicContact CD1-CG 3.9Å; F47-F121 HydrophobicContact CD1-CZ 4.28Å; F47-F121 HydrophobicContact CE1-CE2 4.35Å; F47-F121 HydrophobicContact CE1-CZ 4.5Å; F47-F121 HydrophobicContact CG-CD1 4.44Å; F47-F121 WeakPolarHBondContact O-CB 3.17Å; F56-F121 WeakPolarHBondContact CB-O 3.31Å; F56-F121 HydrophobicContact CD2-CD2 4.36Å; L116-F121 HydrophobicContact CD1-CD1 4.27Å; L116-F121 HydrophobicContact CD2-CD1 4.14Å; L116-F121 HydrophobicContact CD2-CE1 3.86Å; L116-F121 HydrophobicContact CG-CD1 4.26Å; L116-F121 HydrophobicContact CG-CE1 4.13Å; P118-F121 PolarHBondContact O-N 3.45Å; Q119-F121 VanDerWaalsContact C-N 3.27Å; Q119-F121 PolarHBondContact O-N 2.77Å; F121-I159 HydrophobicContact CZ-CG2 4.33Å; F121-L160 HydrophobicContact CZ-CD2 4.43Å; F121-L163 HydrophobicContact CE2-CD1 3.69Å; F121-L163 HydrophobicContact CZ-CD1 4.26Å |
| 122 | L | 85.4 | Confident | 80.8 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -105.4 | 151.3 | 174.8 | -61.8 | -178.9 | 0 | 0 | 0 | 112 | F56 L70 P118 S124 L126 F127 I159 | F56-L122 HydrophobicContact CB-CD2 3.91Å; F56-L122 HydrophobicContact CG-CD2 4.13Å; L70-L122 HydrophobicContact CD2-CD2 3.72Å; P118-L122 HydrophobicContact CB-CD1 4.25Å; P118-L122 WeakPolarHBondContact O-CB 3.15Å; P118-L122 WeakPolarHBondContact O-CG 3.42Å; P118-L122 PolarHBondContact O-N 3.41Å; L122-S124 PolarHBondContact O-N 3.16Å; L122-L126 HydrophobicContact CB-CD1 4.21Å; L122-L126 HydrophobicContact CD1-CD1 4.44Å; L122-F127 HydrophobicContact CB-CE2 4.01Å; L122-F127 HydrophobicContact CB-CZ 4.12Å; L122-F127 HydrophobicContact CD1-CZ 4.46Å; L122-I159 HydrophobicContact CD1-CD1 4.26Å; L122-I159 HydrophobicContact CD1-CG1 4Å |
| 123 | S | 82.2 | Confident | 79.6 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | trans | -60.5 | 135.9 | 176.8 | -168.3 | 0 | 0 | 0 | 0 | 112.7 | N57 V125 L126 F127 | N57-S123 PolarHBondContact OD1-OG 3.19Å; S123-V125 PolarHBondContact O-N 3.43Å; S123-L126 PolarHBondContact O-N 2.9Å; S123-L126 VanDerWaalsContact O-N 3.1Å; S123-F127 WeakPolarHBondContact O-CD2 2.89Å; S123-F127 WeakPolarHBondContact O-CE2 3.34Å | ||
| 124 | S | 78.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 67.4 Ų | 67.4 | 60% | 0.601 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -55.6 | -24.9 | 176 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | L122 L126 F127 | L122-S124 PolarHBondContact O-N 3.16Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 2.77Å; S124-F127 PolarHBondContact O-N 3.16Å |
| 125 | V | 75.4 | Confident | 78.4 | Confident | 63 Ų | 63 | 68.1 Ų | 68.1 | 38% | 0.382 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -61.9 | -36.2 | 178.4 | 179.7 | 0 | 0 | 0 | 0 | 112 | S123 F127 Q128 | S123-V125 PolarHBondContact O-N 3.43Å; V125-F127 PolarHBondContact O-N 3.49Å; V125-Q128 WeakPolarHBondContact O-CB 3.35Å; V125-Q128 PolarHBondContact O-N 3.39Å; V125-Q128 VanDerWaalsContact O-N 3.15Å |
| 126 | L | 75.1 | Confident | 78.3 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -64.3 | -26.2 | 179.6 | -67.2 | 174 | 0 | 0 | 0 | 112.3 | I66 Y69 L122 S123 S124 F130 | I66-L126 HydrophobicContact CG1-CD1 4.42Å; I66-L126 HydrophobicContact CG1-CD2 4.47Å; Y69-L126 HydrophobicContact CD1-CD1 3.85Å; Y69-L126 HydrophobicContact CD1-CD2 3.88Å; Y69-L126 HydrophobicContact CD1-CG 4.37Å; Y69-L126 HydrophobicContact CE1-CD1 3.72Å; Y69-L126 HydrophobicContact CE1-CD2 4.22Å; Y69-L126 HydrophobicContact CE1-CG 4.28Å; Y69-L126 HydrophobicContact CG-CD2 4.08Å; L122-L126 HydrophobicContact CB-CD1 4.21Å; L122-L126 HydrophobicContact CD1-CD1 4.44Å; S123-L126 PolarHBondContact O-N 2.9Å; S123-L126 VanDerWaalsContact O-N 3.1Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 2.77Å; L126-F130 VanDerWaalsContact O-CD2 3.29Å; L126-F130 WeakPolarHBondContact O-CD2 3.33Å |
| 127 | F | 76.8 | Confident | 78.3 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | G | 310 helix | trans | -85.6 | -15.9 | -179.8 | -56.1 | -86.2 | 0 | 0 | 0 | 112.6 | P118 Q119 L122 S123 S124 V125 Q129 F130 L136 | P118-F127 HydrophobicContact CB-CE1 3.86Å; P118-F127 HydrophobicContact CB-CZ 3.69Å; Q119-F127 HydrophobicContact CB-CE2 4.47Å; Q119-F127 HydrophobicContact CB-CZ 4.43Å; Q119-F127 HydrophobicContact CG-CD1 4.23Å; Q119-F127 HydrophobicContact CG-CD2 4.2Å; Q119-F127 HydrophobicContact CG-CE1 3.92Å; Q119-F127 HydrophobicContact CG-CE2 3.89Å; Q119-F127 HydrophobicContact CG-CG 4.36Å; Q119-F127 HydrophobicContact CG-CZ 3.75Å; L122-F127 HydrophobicContact CB-CE2 4.01Å; L122-F127 HydrophobicContact CB-CZ 4.12Å; L122-F127 HydrophobicContact CD1-CZ 4.46Å; S123-F127 WeakPolarHBondContact O-CD2 2.89Å; S123-F127 WeakPolarHBondContact O-CE2 3.34Å; S124-F127 PolarHBondContact O-N 3.16Å; V125-F127 PolarHBondContact O-N 3.49Å; F127-Q129 PolarHBondContact O-N 3.22Å; F127-F130 CarbonylContact O-C 3.52Å; F127-F130 PolarHBondContact O-N 2.69Å; F127-L136 HydrophobicContact CD1-CD2 4.2Å; F127-L136 HydrophobicContact CE1-CD2 3.59Å; F127-L136 HydrophobicContact CZ-CD2 4.4Å |
| 128 | Q | 74.3 | Confident | 78.2 | Confident | 157 Ų | 157 | 61.2 Ų | 61.2 | 73% | 0.734 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.7 | 176.5 | -65.1 | -178.8 | -3.1 | 0 | 0 | 112.4 | V125 F130 | V125-Q128 WeakPolarHBondContact O-CB 3.35Å; V125-Q128 PolarHBondContact O-N 3.39Å; V125-Q128 VanDerWaalsContact O-N 3.15Å; Q128-F130 VanDerWaalsContact C-N 3.3Å |
| 129 | Q | 69.8 | Low | 78.4 | Confident | 114 Ų | 114 | 64.3 Ų | 64.3 | 53% | 0.533 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -14.4 | 176.1 | -62.8 | -178.1 | 2.8 | 0 | 0 | 113.3 | F127 | F127-Q129 PolarHBondContact O-N 3.22Š|
| 130 | F | 71.3 | Confident | 78.6 | Confident | 42 Ų | 42 | 58.6 Ų | 58.6 | 18% | 0.184 | 32% | 0.319 | C | S | . | . | trans | -124.3 | 122.3 | -174.9 | -56.3 | -77.6 | 0 | 0 | 0 | 110.2 | L126 F127 Q128 E132 L136 F139 | L126-F130 VanDerWaalsContact O-CD2 3.29Å; L126-F130 WeakPolarHBondContact O-CD2 3.33Å; F127-F130 CarbonylContact O-C 3.52Å; F127-F130 PolarHBondContact O-N 2.69Å; Q128-F130 VanDerWaalsContact C-N 3.3Å; F130-E132 PolarHBondContact O-N 3.34Å; F130-L136 HydrophobicContact CD2-CB 4.23Å; F130-L136 HydrophobicContact CD2-CD1 4.17Å; F130-L136 HydrophobicContact CE2-CD1 3.78Å; F130-L136 HydrophobicContact CG-CB 4.26Å; F130-L136 HydrophobicContact CZ-CD1 4.16Å; F130-F139 HydrophobicContact CE1-CB 3.8Å; F130-F139 HydrophobicContact CE1-CD1 4.3Å; F130-F139 HydrophobicContact CE1-CG 4.04Å; F130-F139 HydrophobicContact CZ-CB 4.12Å; F130-F139 AromaticContact CZ-CD1 3.81Å; F130-F139 HydrophobicContact CZ-CD1 3.81Å; F130-F139 HydrophobicContact CZ-CE1 4.46Å; F130-F139 HydrophobicContact CZ-CG 4.03Å | ||
| 131 | S | 60.8 | Low | 78.9 | Confident | 127 Ų | 127 | 56.7 Ų | 56.7 | 89% | 0.888 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -64.5 | -25.7 | 177.9 | 48.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 132 | E | 65.9 | Low | 79 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -146 | 155.4 | -179.8 | -63.7 | -176.1 | -179.2 | 0 | 0 | 111.8 | F130 K134 G135 | F130-E132 PolarHBondContact O-N 3.34Å; E132-K134 PolarHBondContact O-N 3.42Å; E132-G135 PolarHBondContact O-N 2.9Å |
| 133 | V | 66.1 | Low | 79.3 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 35% | 0.345 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -57.4 | -35 | 175.9 | 179.9 | 0 | 0 | 0 | 0 | 112 | G135 L136 D137 | V133-G135 PolarHBondContact O-N 3.46Å; V133-L136 WeakPolarHBondContact O-CB 3.33Å; V133-L136 PolarHBondContact O-N 3.01Å; V133-L136 VanDerWaalsContact O-N 3.1Å; V133-D137 PolarHBondContact O-N 3.41Å; V133-D137 VanDerWaalsContact O-N 3.13Å |
| 134 | K | 74.1 | Confident | 79.9 | Confident | 164 Ų | 164 | 61.4 Ų | 61.4 | 71% | 0.713 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61 | -30 | 175.3 | -69.6 | -174.4 | 175.9 | -175.6 | 0 | 113 | E132 A138 | E132-K134 PolarHBondContact O-N 3.42Å; K134-A138 WeakPolarHBondContact O-CB 3.44Å; K134-A138 PolarHBondContact O-N 3.19Å; K134-A138 VanDerWaalsContact O-N 3.14Å |
| 135 | G | 80.9 | Confident | 80.6 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E132 V133 F139 | E132-G135 PolarHBondContact O-N 2.9Å; V133-G135 PolarHBondContact O-N 3.46Å; G135-F139 PolarHBondContact O-N 3.28Å; G135-F139 VanDerWaalsContact O-N 3.09Å |
| 136 | L | 84.8 | Confident | 81.4 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 175 | 173.6 | 63.4 | 0 | 0 | 0 | 111.1 | I66 P118 F127 F130 V133 A138 F139 V140 | I66-L136 HydrophobicContact CD1-CD1 3.46Å; I66-L136 VanDerWaalsContact CD1-CD1 3.46Å; P118-L136 HydrophobicContact CB-CD2 4.29Å; F127-L136 HydrophobicContact CD1-CD2 4.2Å; F127-L136 HydrophobicContact CE1-CD2 3.59Å; F127-L136 HydrophobicContact CZ-CD2 4.4Å; F130-L136 HydrophobicContact CD2-CB 4.23Å; F130-L136 HydrophobicContact CD2-CD1 4.17Å; F130-L136 HydrophobicContact CE2-CD1 3.78Å; F130-L136 HydrophobicContact CG-CB 4.26Å; F130-L136 HydrophobicContact CZ-CD1 4.16Å; V133-L136 WeakPolarHBondContact O-CB 3.33Å; V133-L136 PolarHBondContact O-N 3.01Å; V133-L136 VanDerWaalsContact O-N 3.1Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.37Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-F139 VanDerWaalsContact O-N 3.11Å; L136-V140 HydrophobicContact CD1-CG2 3.98Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CG2 3.38Å; L136-V140 PolarHBondContact O-N 3.49Å |
| 137 | D | 88.8 | Confident | 82.1 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | -179.9 | -72.3 | -21.6 | 0 | 0 | 0 | 111.1 | V133 F139 V140 L141 P158 | V133-D137 PolarHBondContact O-N 3.41Å; V133-D137 VanDerWaalsContact O-N 3.13Å; D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 3.42Å; D137-V140 PolarHBondContact O-N 3.21Å; D137-L141 WeakPolarHBondContact O-CB 3.41Å; D137-L141 VanDerWaalsContact O-CG 3.24Å; D137-L141 WeakPolarHBondContact O-CG 3.49Å; D137-L141 PolarHBondContact O-N 2.6Å; D137-P158 HydrophobicContact CB-CG 3.85Å; D137-P158 WeakPolarHBondContact OD1-CD 3.27Å |
| 138 | A | 86.9 | Confident | 82.5 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K134 L136 S142 | K134-A138 WeakPolarHBondContact O-CB 3.44Å; K134-A138 PolarHBondContact O-N 3.19Å; K134-A138 VanDerWaalsContact O-N 3.14Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 3.37Å; A138-S142 PolarHBondContact O-N 2.96Å |
| 139 | F | 88.4 | Confident | 83.2 | Confident | 68 Ų | 68 | 51.6 Ų | 51.6 | 30% | 0.298 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 176.2 | -176.7 | -108.4 | 0 | 0 | 0 | 111.6 | I66 F130 G135 L136 D137 L141 S142 L143 | I66-F139 HydrophobicContact CB-CE1 4.46Å; I66-F139 HydrophobicContact CG2-CD1 3.95Å; I66-F139 HydrophobicContact CG2-CE1 3.71Å; F130-F139 HydrophobicContact CE1-CB 3.8Å; F130-F139 HydrophobicContact CE1-CD1 4.3Å; F130-F139 HydrophobicContact CE1-CG 4.04Å; F130-F139 HydrophobicContact CZ-CB 4.12Å; F130-F139 AromaticContact CZ-CD1 3.81Å; F130-F139 HydrophobicContact CZ-CD1 3.81Å; F130-F139 HydrophobicContact CZ-CE1 4.46Å; F130-F139 HydrophobicContact CZ-CG 4.03Å; G135-F139 PolarHBondContact O-N 3.28Å; G135-F139 VanDerWaalsContact O-N 3.09Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 3.18Å; L136-F139 VanDerWaalsContact O-N 3.11Å; D137-F139 VanDerWaalsContact C-N 3.3Å; D137-F139 PolarHBondContact O-N 3.42Å; F139-L141 VanDerWaalsContact C-N 3.34Å; F139-L141 PolarHBondContact O-N 2.75Å; F139-S142 WeakPolarHBondContact O-CB 3.18Å; F139-S142 PolarHBondContact O-N 2.75Å; F139-S142 VanDerWaalsContact O-N 3.08Å; F139-S142 PolarHBondContact O-OG 3Å; F139-L143 HydrophobicContact CD1-CD1 4.16Å; F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CE1-CG 4.41Å; F139-L143 HydrophobicContact CZ-CD1 4.36Å; F139-L143 HydrophobicContact CZ-CD2 4.44Å; F139-L143 PolarHBondContact O-N 3.49Å |
| 140 | V | 91.9 | Very high | 84 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 177 | 173.9 | 0 | 0 | 0 | 0 | 111.2 | L136 D137 S142 L143 L144 P158 I159 L162 | L136-V140 HydrophobicContact CD1-CG2 3.98Å; L136-V140 HydrophobicContact CG-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CG2 3.38Å; L136-V140 PolarHBondContact O-N 3.49Å; D137-V140 PolarHBondContact O-N 3.21Å; V140-S142 PolarHBondContact O-N 3.3Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.47Å; V140-L144 HydrophobicContact CG1-CD1 4.14Å; V140-L144 PolarHBondContact O-N 3.49Å; V140-L144 VanDerWaalsContact O-N 3.16Å; V140-P158 HydrophobicContact CB-CB 4.44Å; V140-P158 HydrophobicContact CB-CG 4.34Å; V140-P158 HydrophobicContact CG1-CB 3.9Å; V140-P158 HydrophobicContact CG1-CG 4.29Å; V140-I159 HydrophobicContact CG2-CD1 4.02Å; V140-L162 HydrophobicContact CG1-CB 3.85Å; V140-L162 HydrophobicContact CG1-CD2 4Å; V140-L162 HydrophobicContact CG1-CG 4.47Å; V140-L162 HydrophobicContact CG2-CD2 4.27Å |
| 141 | L | 92.4 | Very high | 85 | Confident | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 175 | -68.7 | 172.9 | 0 | 0 | 0 | 111.8 | D137 F139 L143 L144 A145 I151 T155 P158 | D137-L141 WeakPolarHBondContact O-CB 3.41Å; D137-L141 VanDerWaalsContact O-CG 3.24Å; D137-L141 WeakPolarHBondContact O-CG 3.49Å; D137-L141 PolarHBondContact O-N 2.6Å; F139-L141 VanDerWaalsContact C-N 3.34Å; F139-L141 PolarHBondContact O-N 2.75Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.86Å; L141-L144 PolarHBondContact O-N 2.77Å; L141-A145 PolarHBondContact O-N 3.31Å; L141-A145 VanDerWaalsContact O-N 3.16Å; L141-I151 HydrophobicContact CD2-CG2 3.67Å; L141-T155 HydrophobicContact CD2-CG2 4.49Å; L141-P158 HydrophobicContact CD2-CB 3.67Å; L141-P158 HydrophobicContact CD2-CG 4.26Å; L141-P158 HydrophobicContact CG-CB 4.06Å; L141-P158 HydrophobicContact CG-CG 4.16Å |
| 142 | S | 89.8 | Confident | 86.5 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.4 | -26.8 | 176 | 82 | 0 | 0 | 0 | 0 | 113.9 | A138 F139 V140 | A138-S142 PolarHBondContact O-N 2.96Å; F139-S142 WeakPolarHBondContact O-CB 3.18Å; F139-S142 PolarHBondContact O-N 2.75Å; F139-S142 VanDerWaalsContact O-N 3.08Å; F139-S142 PolarHBondContact O-OG 3Å; V140-S142 PolarHBondContact O-N 3.3Å |
| 143 | L | 91.9 | Very high | 87.5 | Confident | 46 Ų | 46 | 39.2 Ų | 39.2 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -79.4 | -25.7 | 175.5 | -62.4 | 173.2 | 0 | 0 | 0 | 112.5 | I66 D67 F139 V140 L141 L162 | I66-L143 HydrophobicContact CG2-CD1 3.74Å; D67-L143 HydrophobicContact CB-CD1 4.04Å; F139-L143 HydrophobicContact CD1-CD1 4.16Å; F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CE1-CG 4.41Å; F139-L143 HydrophobicContact CZ-CD1 4.36Å; F139-L143 HydrophobicContact CZ-CD2 4.44Å; F139-L143 PolarHBondContact O-N 3.49Å; V140-L143 WeakPolarHBondContact O-CB 3.49Å; V140-L143 PolarHBondContact O-N 3.47Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.86Å; L143-L162 HydrophobicContact CD1-CD2 4.34Å |
| 144 | L | 94.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -82.5 | -19.7 | 176.5 | -67.7 | 172 | 0 | 0 | 0 | 112 | V140 L141 L146 I151 P158 L161 L162 H192 | V140-L144 HydrophobicContact CG1-CD1 4.14Å; V140-L144 PolarHBondContact O-N 3.49Å; V140-L144 VanDerWaalsContact O-N 3.16Å; L141-L144 PolarHBondContact O-N 2.77Å; L144-L146 PolarHBondContact O-N 3.36Å; L144-I151 HydrophobicContact CB-CD1 3.32Å; L144-P158 HydrophobicContact CD1-CB 4.42Å; L144-L161 HydrophobicContact CD1-CB 4.48Å; L144-L161 HydrophobicContact CD1-CD2 4.17Å; L144-L161 HydrophobicContact CD1-CG 4.45Å; L144-L161 HydrophobicContact CD2-CG 4.47Å; L144-L162 HydrophobicContact CD2-CD1 4.34Å; L144-H192 PolarHBondContact O-CE1 3.12Å; L144-H192 VanDerWaalsContact O-CE1 3.25Å; L144-H192 PolarHBondContact O-NE2 3.28Å |
| 145 | A | 92.4 | Very high | 89.6 | Confident | 44 Ų | 44 | 32 Ų | 32 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | trans | -61.8 | 127.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L141 I151 | L141-A145 PolarHBondContact O-N 3.31Å; L141-A145 VanDerWaalsContact O-N 3.16Å; A145-I151 HydrophobicContact CB-CD1 4.49Å | ||
| 146 | L | 92.9 | Very high | 90.2 | Very high | 28 Ų | 28 | 32.9 Ų | 32.9 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | trans | -128.4 | 153.4 | -178.1 | -66.7 | 176.5 | 0 | 0 | 0 | 110.8 | L144 G148 E149 L196 L203 | L144-L146 PolarHBondContact O-N 3.36Å; L146-G148 PolarHBondContact O-N 3.18Å; L146-E149 PolarHBondContact O-N 3.42Å; L146-L196 HydrophobicContact CB-CD1 4.42Å; L146-L203 HydrophobicContact CD1-CD1 4.1Å; L146-L203 HydrophobicContact CD1-CD2 3.57Å; L146-L203 HydrophobicContact CD1-CG 3.71Å | ||
| 147 | D | 89.8 | Confident | 90.6 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 25.9 | 174 | -60.3 | -41.1 | 0 | 0 | 0 | 115.3 | E149 S200 P201 L202 I556 | D147-E149 VanDerWaalsContact C-N 3.3Å; D147-S200 WeakPolarHBondContact OD2-CA 3.48Å; D147-S200 VanDerWaalsContact OD2-CB 3.27Å; D147-S200 WeakPolarHBondContact OD2-CB 3.44Å; D147-S200 PolarHBondContact OD2-OG 3.29Å; D147-P201 VanDerWaalsContact OD2-CD 3.26Å; D147-P201 WeakPolarHBondContact OD2-CD 3.36Å; D147-L202 WeakPolarHBondContact OD1-CD1 3.45Å; D147-L202 VanDerWaalsContact OD1-CG 3.3Å; D147-L202 WeakPolarHBondContact OD1-CG 3.3Å; D147-L202 PolarHBondContact OD2-N 2.92Å; D147-I556 WeakPolarHBondContact O-CG2 3.25Å |
| 148 | G | 84.2 | Confident | 90.9 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 7.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L146 R525 | L146-G148 PolarHBondContact O-N 3.18Å; G148-R525 WeakPolarHBondContact CA-O 3.3Å |
| 149 | E | 89.4 | Confident | 91.2 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 3% | 0.033 | 19% | 0.189 | C | C | . | . | trans | -93.6 | 141.6 | -178.1 | -57.5 | -54.8 | 156.6 | 0 | 0 | 112.2 | L146 D147 L196 E198 N557 | L146-E149 PolarHBondContact O-N 3.42Å; D147-E149 VanDerWaalsContact C-N 3.3Å; E149-L196 HydrophobicContact CB-CB 4.49Å; E149-L196 HydrophobicContact CB-CD2 4.24Å; E149-E198 HydrophobicContact CG-CB 4.02Å; E149-N557 WeakPolarHBondContact OE1-CB 3.17Å; E149-N557 PolarHBondContact OE1-ND2 2.94Å | ||
| 150 | S | 87.4 | Confident | 91.6 | Very high | 40 Ų | 40 | 28.3 Ų | 28.3 | 28% | 0.28 | 18% | 0.176 | S | C | . | . | trans | -78.2 | 155.4 | 174 | 28.1 | 0 | 0 | 0 | 0 | 111.8 | E197 | S150-E197 WeakPolarHBondContact CB-OE1 3.48Å; S150-E197 PolarHBondContact O-N 3.27Å; S150-E197 PolarHBondContact OG-OE1 3.25Å; S150-E197 PolarHBondContact OG-OE2 2.9Å | ||
| 151 | I | 91.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -108.2 | 147.1 | 172.9 | -68.3 | 172 | 0 | 0 | 0 | 109.1 | L141 L144 A145 S153 L195 L196 | L141-I151 HydrophobicContact CD2-CG2 3.67Å; L144-I151 HydrophobicContact CB-CD1 3.32Å; A145-I151 HydrophobicContact CB-CD1 4.49Å; I151-S153 PolarHBondContact O-N 3.3Å; I151-L195 WeakPolarHBondContact CA-O 3.39Å; I151-L195 HydrophobicContact CG2-CB 3.99Å; I151-L196 HydrophobicContact CD1-CD2 4.08Å; I151-L196 HydrophobicContact CG1-CD2 3.54Å; I151-L196 HydrophobicContact CG1-CG 4.49Å |
| 152 | Y | 91.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 13% | 0.129 | 17% | 0.173 | C | C | . | . | trans | -52.9 | 120.7 | 172.1 | -176.5 | -118.9 | 0 | 0 | 0 | 112.6 | L154 T155 L195 W440 L466 M468 | Y152-L154 HydrophobicContact CD1-CB 4.43Å; Y152-L154 HydrophobicContact CE1-CB 3.68Å; Y152-L154 PolarHBondContact O-N 3.37Å; Y152-T155 PolarHBondContact O-N 3.19Å; Y152-T155 PolarHBondContact O-OG1 3.48Å; Y152-L195 PolarHBondContact N-O 3.46Å; Y152-W440 AromaticContact CD1-CD2 3.67Å; Y152-W440 HydrophobicContact CD1-CD2 3.67Å; Y152-W440 AromaticContact CD1-CE2 3.76Å; Y152-W440 AromaticContact CD1-CE3 3.99Å; Y152-W440 HydrophobicContact CD1-CE3 3.99Å; Y152-W440 HydrophobicContact CD1-CG 4Å; Y152-W440 HydrophobicContact CD1-CH2 4.47Å; Y152-W440 HydrophobicContact CD1-CZ2 4.18Å; Y152-W440 HydrophobicContact CD1-CZ3 4.37Å; Y152-W440 HydrophobicContact CE1-CB 3.84Å; Y152-W440 AromaticContact CE1-CD2 3.54Å; Y152-W440 HydrophobicContact CE1-CD2 3.54Å; Y152-W440 AromaticContact CE1-CE3 3.78Å; Y152-W440 HydrophobicContact CE1-CE3 3.78Å; Y152-W440 AromaticContact CE1-CG 3.57Å; Y152-W440 HydrophobicContact CE1-CG 3.57Å; Y152-W440 HydrophobicContact CE2-CG 4.48Å; Y152-W440 AromaticContact CZ-CG 3.83Å; Y152-L466 WeakPolarHBondContact CE2-O 3.42Å; Y152-L466 PolarHBondContact OH-O 3.08Å; Y152-M468 HydrophobicContact CE2-CE 4.13Å | ||
| 153 | S | 88.1 | Confident | 92.4 | Very high | 59 Ų | 59 | 24.4 Ų | 24.4 | 41% | 0.413 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32.6 | -169.7 | 52 | 0 | 0 | 0 | 0 | 114.1 | I151 T155 E467 | I151-S153 PolarHBondContact O-N 3.3Å; S153-T155 VanDerWaalsContact C-N 3.3Å; S153-T155 PolarHBondContact O-N 2.89Å; S153-E467 PolarHBondContact OG-OE2 2.89Å |
| 154 | L | 91.5 | Very high | 92.7 | Very high | 64 Ų | 64 | 22.2 Ų | 22.2 | 34% | 0.335 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 21 | -176.5 | -59.5 | 179.8 | 0 | 0 | 0 | 113.3 | Y152 S156 K465 E467 | Y152-L154 HydrophobicContact CD1-CB 4.43Å; Y152-L154 HydrophobicContact CE1-CB 3.68Å; Y152-L154 PolarHBondContact O-N 3.37Å; L154-S156 PolarHBondContact O-N 3.37Å; L154-K465 WeakPolarHBondContact CD1-O 3.45Å; L154-E467 HydrophobicContact CD1-CB 4.14Å; L154-E467 HydrophobicContact CD1-CG 3.93Å; L154-E467 HydrophobicContact CD2-CG 4.42Å; L154-E467 HydrophobicContact CG-CB 4.43Å; L154-E467 HydrophobicContact CG-CG 4.26Å |
| 155 | T | 93.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 24 Ų | 24 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -59.4 | 126.1 | 174.2 | -60.3 | 0 | 0 | 0 | 0 | 109.9 | F104 L141 Y152 S153 L195 | F104-T155 HydrophobicContact CE2-CG2 3.68Å; F104-T155 HydrophobicContact CZ-CG2 3.62Å; L141-T155 HydrophobicContact CD2-CG2 4.49Å; Y152-T155 PolarHBondContact O-N 3.19Å; Y152-T155 PolarHBondContact O-OG1 3.48Å; S153-T155 VanDerWaalsContact C-N 3.3Å; S153-T155 PolarHBondContact O-N 2.89Å; T155-L195 HydrophobicContact CG2-CD1 4.33Å; T155-L195 HydrophobicContact CG2-CD2 4.09Å | ||
| 156 | S | 93.3 | Very high | 93.1 | Very high | 48 Ų | 48 | 21.9 Ų | 21.9 | 34% | 0.336 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -80.1 | 132.4 | -178.8 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | F104 N108 L154 | F104-S156 WeakPolarHBondContact CE2-O 3.47Å; N108-S156 PolarHBondContact ND2-O 3.22Å; N108-S156 PolarHBondContact OD1-N 3.3Å; L154-S156 PolarHBondContact O-N 3.37Å |
| 157 | K | 92.9 | Very high | 93.3 | Very high | 44 Ų | 44 | 20.6 Ų | 20.6 | 19% | 0.191 | 12% | 0.12 | C | C | . | . | trans | 53 | 53.4 | 174.6 | -48.9 | -64.8 | 179.6 | 174.3 | 0 | 114 | L116 I159 L160 | L116-K157 WeakPolarHBondContact O-CE 3.32Å; L116-K157 PolarHBondContact O-NZ 2.8Å; K157-I159 PolarHBondContact O-N 2.96Å; K157-L160 HydrophobicContact CB-CD1 3.75Å; K157-L160 HydrophobicContact CB-CG 4.14Å; K157-L160 HydrophobicContact CG-CD1 4.43Å; K157-L160 WeakPolarHBondContact O-CB 3.48Å; K157-L160 PolarHBondContact O-N 3.49Å | ||
| 158 | P | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.3 | -21.9 | -176.8 | 28.3 | -37 | 0 | 0 | 0 | 113.8 | D137 V140 L141 L144 L160 L161 L162 | D137-P158 HydrophobicContact CB-CG 3.85Å; D137-P158 WeakPolarHBondContact OD1-CD 3.27Å; V140-P158 HydrophobicContact CB-CB 4.44Å; V140-P158 HydrophobicContact CB-CG 4.34Å; V140-P158 HydrophobicContact CG1-CB 3.9Å; V140-P158 HydrophobicContact CG1-CG 4.29Å; L141-P158 HydrophobicContact CD2-CB 3.67Å; L141-P158 HydrophobicContact CD2-CG 4.26Å; L141-P158 HydrophobicContact CG-CB 4.06Å; L141-P158 HydrophobicContact CG-CG 4.16Å; L144-P158 HydrophobicContact CD1-CB 4.42Å; P158-L160 PolarHBondContact O-N 2.77Å; P158-L161 PolarHBondContact O-N 2.74Å; P158-L162 PolarHBondContact O-N 3.47Å |
| 159 | I | 93.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.5 | -33.3 | 174.3 | -167.6 | 62 | 0 | 0 | 0 | 113.1 | I66 L70 P118 F121 L122 V140 K157 L162 L163 | I66-I159 HydrophobicContact CD1-CD1 3.98Å; L70-I159 HydrophobicContact CD1-CD1 3.96Å; P118-I159 HydrophobicContact CG-CG2 4.17Å; F121-I159 HydrophobicContact CZ-CG2 4.33Å; L122-I159 HydrophobicContact CD1-CD1 4.26Å; L122-I159 HydrophobicContact CD1-CG1 4Å; V140-I159 HydrophobicContact CG2-CD1 4.02Å; K157-I159 PolarHBondContact O-N 2.96Å; I159-L162 HydrophobicContact CD1-CD2 4.17Å; I159-L162 PolarHBondContact O-N 3.13Å; I159-L163 WeakPolarHBondContact O-CG 3.44Å; I159-L163 PolarHBondContact O-N 3.3Å |
| 160 | L | 96.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 178.8 | -64.7 | 175.6 | 0 | 0 | 0 | 110.9 | F47 S100 L103 F104 L116 F121 K157 P158 L163 A164 | F47-L160 HydrophobicContact CE1-CD2 3.96Å; F47-L160 HydrophobicContact CE2-CD2 4.07Å; F47-L160 HydrophobicContact CZ-CD2 3.64Å; S100-L160 WeakPolarHBondContact CB-O 3.34Å; L103-L160 HydrophobicContact CB-CD1 4.06Å; L103-L160 HydrophobicContact CD2-CD1 3.8Å; L103-L160 HydrophobicContact CD2-CD2 4.19Å; L103-L160 HydrophobicContact CG-CD1 3.73Å; F104-L160 HydrophobicContact CB-CB 3.91Å; F104-L160 HydrophobicContact CD2-CB 4.32Å; L116-L160 HydrophobicContact CD2-CD2 4.31Å; F121-L160 HydrophobicContact CZ-CD2 4.43Å; K157-L160 HydrophobicContact CB-CD1 3.75Å; K157-L160 HydrophobicContact CB-CG 4.14Å; K157-L160 HydrophobicContact CG-CD1 4.43Å; K157-L160 WeakPolarHBondContact O-CB 3.48Å; K157-L160 PolarHBondContact O-N 3.49Å; P158-L160 PolarHBondContact O-N 2.77Å; L160-L163 PolarHBondContact O-N 3.08Å; L160-A164 WeakPolarHBondContact O-CB 3.39Å; L160-A164 PolarHBondContact O-N 2.86Å |
| 161 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.2 | -38.4 | 173.8 | -177.9 | 61.2 | 0 | 0 | 0 | 111.7 | L101 F104 L144 P158 L163 A164 R165 I191 H192 L195 | L101-L161 HydrophobicContact CD1-CD1 4.27Å; F104-L161 HydrophobicContact CD1-CB 3.95Å; F104-L161 HydrophobicContact CD1-CD1 4.21Å; F104-L161 HydrophobicContact CD1-CD2 4.42Å; F104-L161 HydrophobicContact CD1-CG 4.42Å; F104-L161 HydrophobicContact CD2-CB 3.83Å; F104-L161 HydrophobicContact CE1-CB 4.01Å; F104-L161 HydrophobicContact CE1-CD1 4.36Å; F104-L161 HydrophobicContact CE1-CD2 3.81Å; F104-L161 HydrophobicContact CE1-CG 4.29Å; F104-L161 HydrophobicContact CE2-CB 3.89Å; F104-L161 HydrophobicContact CG-CB 3.86Å; F104-L161 HydrophobicContact CZ-CB 4Å; F104-L161 HydrophobicContact CZ-CD2 3.94Å; L144-L161 HydrophobicContact CD1-CB 4.48Å; L144-L161 HydrophobicContact CD1-CD2 4.17Å; L144-L161 HydrophobicContact CD1-CG 4.45Å; L144-L161 HydrophobicContact CD2-CG 4.47Å; P158-L161 PolarHBondContact O-N 2.74Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 3.01Å; L161-A164 PolarHBondContact O-N 2.91Å; L161-R165 VanDerWaalsContact O-CB 3.31Å; L161-R165 WeakPolarHBondContact O-CB 3.35Å; L161-R165 PolarHBondContact O-N 3.22Å; L161-I191 HydrophobicContact CD1-CG2 4.37Å; L161-H192 HydrophobicContact CD2-CB 4.35Å; L161-L195 HydrophobicContact CD2-CD1 3.26Å; L161-L195 HydrophobicContact CD2-CG 4.47Å |
| 162 | L | 96.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 22.4 Ų | 22.4 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.9 | -179.5 | 63.7 | 0 | 0 | 0 | 111 | I66 D67 L70 V140 L143 L144 P158 I159 R165 I166 | I66-L162 HydrophobicContact CG2-CD2 4.22Å; D67-L162 HydrophobicContact CB-CD1 4.48Å; L70-L162 HydrophobicContact CD1-CD2 4.29Å; V140-L162 HydrophobicContact CG1-CB 3.85Å; V140-L162 HydrophobicContact CG1-CD2 4Å; V140-L162 HydrophobicContact CG1-CG 4.47Å; V140-L162 HydrophobicContact CG2-CD2 4.27Å; L143-L162 HydrophobicContact CD1-CD2 4.34Å; L144-L162 HydrophobicContact CD2-CD1 4.34Å; P158-L162 PolarHBondContact O-N 3.47Å; I159-L162 HydrophobicContact CD1-CD2 4.17Å; I159-L162 PolarHBondContact O-N 3.13Å; L162-R165 PolarHBondContact O-N 2.6Å; L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.42Å; L162-I166 HydrophobicContact CG-CD1 4.01Å; L162-I166 WeakPolarHBondContact O-CG1 3.44Å; L162-I166 PolarHBondContact O-N 3.35Å |
| 163 | L | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 175.3 | -78.1 | 174.5 | 0 | 0 | 0 | 112.4 | F47 F56 L70 F121 I159 L160 L161 R165 I166 I167 | F47-L163 HydrophobicContact CE1-CD1 4.11Å; F56-L163 HydrophobicContact CE1-CD2 3.83Å; F56-L163 HydrophobicContact CE2-CD2 4.39Å; F56-L163 HydrophobicContact CZ-CD2 3.64Å; L70-L163 HydrophobicContact CB-CD2 4.36Å; L70-L163 HydrophobicContact CD1-CD2 3.86Å; L70-L163 HydrophobicContact CD1-CG 4.4Å; L70-L163 HydrophobicContact CD2-CD2 4.07Å; L70-L163 HydrophobicContact CG-CD2 4.31Å; F121-L163 HydrophobicContact CE2-CD1 3.69Å; F121-L163 HydrophobicContact CZ-CD1 4.26Å; I159-L163 WeakPolarHBondContact O-CG 3.44Å; I159-L163 PolarHBondContact O-N 3.3Å; L160-L163 PolarHBondContact O-N 3.08Å; L161-L163 VanDerWaalsContact C-N 3.33Å; L161-L163 PolarHBondContact O-N 3.01Å; L163-R165 PolarHBondContact O-N 2.94Å; L163-I166 PolarHBondContact O-N 3.37Å; L163-I167 WeakPolarHBondContact O-CB 3.31Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.4Å |
| 164 | A | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -56 | -42.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L101 L160 L161 L168 | L101-A164 HydrophobicContact CB-CB 3.98Å; L160-A164 WeakPolarHBondContact O-CB 3.39Å; L160-A164 PolarHBondContact O-N 2.86Å; L161-A164 PolarHBondContact O-N 2.91Å; A164-L168 HydrophobicContact CB-CD1 4.46Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 VanDerWaalsContact O-CG 3.31Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.19Å |
| 165 | R | 97.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 23 Ų | 23 | 14% | 0.14 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 177.9 | -177.2 | 176.1 | 175.8 | 78.5 | -0.7 | 112.2 | L161 L162 L163 I167 V169 N170 H192 | L161-R165 VanDerWaalsContact O-CB 3.31Å; L161-R165 WeakPolarHBondContact O-CB 3.35Å; L161-R165 PolarHBondContact O-N 3.22Å; L162-R165 PolarHBondContact O-N 2.6Å; L163-R165 PolarHBondContact O-N 2.94Å; R165-I167 VanDerWaalsContact C-N 3.31Å; R165-I167 PolarHBondContact O-N 2.96Å; R165-V169 HydrophobicContact CG-CB 4.16Å; R165-V169 HydrophobicContact CG-CG2 4.03Å; R165-V169 VanDerWaalsContact O-CA 3.29Å; R165-V169 WeakPolarHBondContact O-CA 3.46Å; R165-V169 WeakPolarHBondContact O-CB 3.49Å; R165-V169 PolarHBondContact O-N 3.44Å; R165-N170 PolarHBondContact O-N 3.32Å; R165-N170 VanDerWaalsContact O-N 3.13Å; R165-H192 PolarHBondContact NH1-ND1 2.84Å |
| 166 | I | 96.9 | Very high | 95 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | I | π-helix | trans | -57.4 | -48.7 | 177.4 | -71.9 | 169.1 | 0 | 0 | 0 | 109.8 | L70 E71 L162 L163 N170 V171 | L70-I166 HydrophobicContact CB-CD1 3.64Å; L70-I166 HydrophobicContact CD1-CD1 4.23Å; E71-I166 HydrophobicContact CB-CG2 3.86Å; E71-I166 HydrophobicContact CG-CG2 4.16Å; L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.42Å; L162-I166 HydrophobicContact CG-CD1 4.01Å; L162-I166 WeakPolarHBondContact O-CG1 3.44Å; L162-I166 PolarHBondContact O-N 3.35Å; L163-I166 PolarHBondContact O-N 3.37Å; I166-N170 WeakPolarHBondContact O-CB 3.39Å; I166-N170 PolarHBondContact O-N 3.45Å; I166-V171 HydrophobicContact CG2-CG2 4.17Å; I166-V171 WeakPolarHBondContact O-CG2 3.29Å; I166-V171 PolarHBondContact O-N 3.18Å |
| 167 | I | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -71.2 | -54.3 | -175.8 | -67.4 | 170.1 | 0 | 0 | 0 | 111.6 | V74 I93 L96 L163 R165 L175 | V74-I167 HydrophobicContact CG1-CG1 4.4Å; V74-I167 HydrophobicContact CG2-CG1 4.2Å; I93-I167 HydrophobicContact CG2-CD1 4.48Å; I93-I167 HydrophobicContact CG2-CG1 4.19Å; I93-I167 HydrophobicContact CG2-CG2 3.67Å; I93-I167 WeakPolarHBondContact O-CG2 3.37Å; L96-I167 HydrophobicContact CB-CD1 4.44Å; L96-I167 HydrophobicContact CD2-CD1 4.18Å; L96-I167 HydrophobicContact CG-CD1 4.07Å; L163-I167 WeakPolarHBondContact O-CB 3.31Å; L163-I167 WeakPolarHBondContact O-CG1 3.39Å; L163-I167 PolarHBondContact O-N 3.4Å; R165-I167 VanDerWaalsContact C-N 3.31Å; R165-I167 PolarHBondContact O-N 2.96Å; I167-L175 HydrophobicContact CG2-CD1 4.18Å |
| 168 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -83.5 | -19.5 | -170.7 | -57.6 | 173.7 | 0 | 0 | 0 | 113 | F94 L101 A164 L181 W184 T185 C188 | F94-L168 HydrophobicContact CD2-CD2 4.05Å; F94-L168 HydrophobicContact CE2-CD2 4.24Å; L101-L168 HydrophobicContact CD2-CD1 4.43Å; A164-L168 HydrophobicContact CB-CD1 4.46Å; A164-L168 WeakPolarHBondContact O-CB 3.35Å; A164-L168 VanDerWaalsContact O-CG 3.31Å; A164-L168 WeakPolarHBondContact O-CG 3.47Å; A164-L168 PolarHBondContact O-N 3.19Å; L168-L181 HydrophobicContact CD2-CD1 3.92Å; L168-W184 HydrophobicContact CD1-CB 4.4Å; L168-W184 HydrophobicContact CD2-CB 4.23Å; L168-T185 WeakPolarHBondContact O-CG2 3.25Å; L168-T185 PolarHBondContact O-OG1 2.95Å; L168-C188 HydrophobicContact CD1-CB 4.04Å |
| 169 | V | 96.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 29.2 Ų | 29.2 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -113.6 | -59.6 | -177.7 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | R165 R172 T185 V189 L206 | R165-V169 HydrophobicContact CG-CB 4.16Å; R165-V169 HydrophobicContact CG-CG2 4.03Å; R165-V169 VanDerWaalsContact O-CA 3.29Å; R165-V169 WeakPolarHBondContact O-CA 3.46Å; R165-V169 WeakPolarHBondContact O-CB 3.49Å; R165-V169 PolarHBondContact O-N 3.44Å; V169-R172 WeakPolarHBondContact O-CD 3.42Å; V169-R172 WeakPolarHBondContact O-CG 3.48Å; V169-T185 HydrophobicContact CG2-CG2 4.02Å; V169-V189 HydrophobicContact CG2-CG2 4.39Å; V169-L206 HydrophobicContact CG1-CD1 4.3Å |
| 170 | N | 95.3 | Very high | 94.4 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | I | π-helix | trans | -71.3 | -48.2 | -171.4 | -61.7 | 5.7 | 0 | 0 | 0 | 111.8 | E71 R165 I166 R172 H173 | E71-N170 PolarHBondContact OE2-ND2 3.27Å; R165-N170 PolarHBondContact O-N 3.32Å; R165-N170 VanDerWaalsContact O-N 3.13Å; I166-N170 WeakPolarHBondContact O-CB 3.39Å; I166-N170 PolarHBondContact O-N 3.45Å; N170-R172 VanDerWaalsContact C-N 3.26Å; N170-R172 PolarHBondContact O-N 3.17Å; N170-H173 PolarHBondContact O-ND1 3.02Å |
| 171 | V | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -88.5 | 9.6 | -174.8 | -173 | 0 | 0 | 0 | 0 | 112.2 | E71 V74 V75 L78 I166 H173 K174 | E71-V171 HydrophobicContact CG-CG2 3.93Å; V74-V171 HydrophobicContact CG1-CG1 4.21Å; V74-V171 HydrophobicContact CG1-CG2 4.33Å; V75-V171 HydrophobicContact CG2-CG1 4.33Å; V75-V171 HydrophobicContact CG2-CG2 4.14Å; L78-V171 HydrophobicContact CD1-CG1 3.63Å; I166-V171 HydrophobicContact CG2-CG2 4.17Å; I166-V171 WeakPolarHBondContact O-CG2 3.29Å; I166-V171 PolarHBondContact O-N 3.18Å; V171-H173 PolarHBondContact O-N 2.99Å; V171-K174 HydrophobicContact CG1-CB 3.88Å; V171-K174 HydrophobicContact CG1-CD 4.24Å; V171-K174 HydrophobicContact CG1-CG 4.13Å; V171-K174 PolarHBondContact O-N 2.82Å |
| 172 | R | 92.5 | Very high | 94.3 | Very high | 94 Ų | 94 | 30.4 Ų | 30.4 | 36% | 0.355 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -51.9 | -32 | -177.1 | 74.8 | -179.5 | -168.5 | 177 | 1 | 114.4 | V169 N170 K174 L175 L181 | V169-R172 WeakPolarHBondContact O-CD 3.42Å; V169-R172 WeakPolarHBondContact O-CG 3.48Å; N170-R172 VanDerWaalsContact C-N 3.26Å; N170-R172 PolarHBondContact O-N 3.17Å; R172-K174 PolarHBondContact O-N 3.39Å; R172-L175 PolarHBondContact O-N 3.06Å; R172-L181 HydrophobicContact CB-CD2 4.03Å |
| 173 | H | 92.4 | Very high | 94.3 | Very high | 118 Ų | 118 | 30.1 Ų | 30.1 | 55% | 0.546 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -69.9 | -17.7 | -178.5 | 65.8 | -83.2 | 0 | 0 | 0 | 113.5 | N170 V171 T176 | N170-H173 PolarHBondContact O-ND1 3.02Å; V171-H173 PolarHBondContact O-N 2.99Å; H173-T176 WeakPolarHBondContact O-CG2 3.35Å |
| 174 | K | 92.5 | Very high | 94.4 | Very high | 50 Ų | 50 | 30.1 Ų | 30.1 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -95 | -13.3 | 175.7 | -63.8 | -157.9 | 166.7 | -152.5 | 0 | 113.9 | V75 L78 D79 Q90 V171 R172 T176 | V75-K174 HydrophobicContact CG2-CD 4.45Å; L78-K174 HydrophobicContact CD1-CB 3.93Å; L78-K174 HydrophobicContact CD1-CD 4.17Å; D79-K174 IonicContact OD1-NZ 2.69Å; D79-K174 PolarHBondContact OD1-NZ 2.95Å; D79-K174 IonicContact OD2-NZ 2.65Å; D79-K174 PolarHBondContact OD2-NZ 3.46Å; Q90-K174 PolarHBondContact NE2-O 2.86Å; Q90-K174 PolarHBondContact OE1-O 3.47Å; V171-K174 HydrophobicContact CG1-CB 3.88Å; V171-K174 HydrophobicContact CG1-CD 4.24Å; V171-K174 HydrophobicContact CG1-CG 4.13Å; V171-K174 PolarHBondContact O-N 2.82Å; R172-K174 PolarHBondContact O-N 3.39Å; K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 3.37Å |
| 175 | L | 92.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -96.2 | 43.9 | -178.6 | -61.9 | 179.9 | 0 | 0 | 0 | 111.4 | L78 Q90 I93 I167 R172 A177 I178 L181 | L78-L175 HydrophobicContact CD1-CD2 4.37Å; L78-L175 HydrophobicContact CD2-CD2 4.17Å; Q90-L175 HydrophobicContact CB-CD2 3.96Å; Q90-L175 HydrophobicContact CG-CD2 4.05Å; Q90-L175 VanDerWaalsContact OE1-C 3.3Å; I93-L175 HydrophobicContact CB-CD2 4.41Å; I93-L175 HydrophobicContact CG2-CD1 4.49Å; I93-L175 HydrophobicContact CG2-CD2 4.1Å; I167-L175 HydrophobicContact CG2-CD1 4.18Å; R172-L175 PolarHBondContact O-N 3.06Å; L175-A177 PolarHBondContact O-N 3.09Å; L175-I178 PolarHBondContact O-N 3.46Å; L175-L181 HydrophobicContact CB-CD2 3.66Å; L175-L181 HydrophobicContact CD1-CD1 3.97Å; L175-L181 HydrophobicContact CD1-CD2 4.39Å | ||
| 176 | T | 89.7 | Confident | 94.4 | Very high | 115 Ų | 115 | 28.6 Ų | 28.6 | 71% | 0.706 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -17.3 | -172.2 | 57.8 | 0 | 0 | 0 | 0 | 114 | Q90 H173 K174 I178 | Q90-T176 VanDerWaalsContact OE1-N 3.17Å; H173-T176 WeakPolarHBondContact O-CG2 3.35Å; K174-T176 VanDerWaalsContact C-N 3.31Å; K174-T176 PolarHBondContact O-N 3.37Å; T176-I178 VanDerWaalsContact C-N 3.3Å |
| 177 | A | 86.8 | Confident | 94.5 | Very high | 34 Ų | 34 | 29 Ų | 29 | 28% | 0.281 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M87 L175 | M87-A177 HydrophobicContact CG-CB 4.45Å; L175-A177 PolarHBondContact O-N 3.09Å |
| 178 | I | 91.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 29 Ų | 29 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | trans | -98.5 | 115.1 | -172.8 | -49.6 | -58.5 | 0 | 0 | 0 | 110.1 | W2 Q91 F94 L175 T176 L181 | W2-I178 HydrophobicContact CE3-CD1 4.08Å; Q91-I178 HydrophobicContact CG-CD1 4.06Å; F94-I178 HydrophobicContact CB-CD1 4.46Å; F94-I178 HydrophobicContact CB-CG1 4.13Å; F94-I178 HydrophobicContact CD1-CD1 4.5Å; F94-I178 HydrophobicContact CD1-CG2 4.02Å; F94-I178 HydrophobicContact CD2-CG2 3.85Å; F94-I178 HydrophobicContact CE1-CG2 3.96Å; F94-I178 HydrophobicContact CE2-CG2 3.78Å; F94-I178 HydrophobicContact CG-CG1 4.19Å; F94-I178 HydrophobicContact CG-CG2 3.94Å; F94-I178 HydrophobicContact CZ-CG2 3.82Å; L175-I178 PolarHBondContact O-N 3.46Å; T176-I178 VanDerWaalsContact C-N 3.3Å; I178-L181 HydrophobicContact CB-CB 4.14Å; I178-L181 HydrophobicContact CG2-CB 4.04Å | ||
| 179 | Q | 90.7 | Very high | 94.5 | Very high | 72 Ų | 72 | 29.1 Ų | 29.1 | 34% | 0.336 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -79.3 | -34.2 | -176.7 | -62.5 | -172.2 | -5.6 | 0 | 0 | 112.5 | E5 L181 P182 L217 | E5-Q179 PolarHBondContact OE1-N 2.95Å; E5-Q179 WeakPolarHBondContact OE2-CA 3.5Å; E5-Q179 PolarHBondContact OE2-N 3.3Å; Q179-L181 PolarHBondContact O-N 3.49Å; Q179-P182 VanDerWaalsContact O-CD 3.26Å; Q179-P182 WeakPolarHBondContact O-CD 3.47Å; Q179-L217 WeakPolarHBondContact O-CD1 3.48Å |
| 180 | S | 92.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -76.4 | -5.9 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | E5 W183 W184 | E5-S180 VanDerWaalsContact OE2-CB 3.29Å; E5-S180 WeakPolarHBondContact OE2-CB 3.41Å; E5-S180 PolarHBondContact OE2-N 3.39Å; E5-S180 PolarHBondContact OE2-OG 3.09Å; S180-W183 WeakPolarHBondContact O-CB 3.48Å; S180-W183 PolarHBondContact O-N 3.26Å; S180-W183 VanDerWaalsContact O-N 3.12Å; S180-W184 PolarHBondContact O-N 3.39Å |
| 181 | L | 95.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 5% | 0.052 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -53.7 | -49 | -177.3 | 176 | 70.1 | 0 | 0 | 0 | 113 | F94 L168 R172 L175 I178 Q179 W183 W184 T185 | F94-L181 HydrophobicContact CD2-CD1 4.12Å; F94-L181 HydrophobicContact CE2-CD1 4.34Å; L168-L181 HydrophobicContact CD2-CD1 3.92Å; R172-L181 HydrophobicContact CB-CD2 4.03Å; L175-L181 HydrophobicContact CB-CD2 3.66Å; L175-L181 HydrophobicContact CD1-CD1 3.97Å; L175-L181 HydrophobicContact CD1-CD2 4.39Å; I178-L181 HydrophobicContact CB-CB 4.14Å; I178-L181 HydrophobicContact CG2-CB 4.04Å; Q179-L181 PolarHBondContact O-N 3.49Å; L181-W183 PolarHBondContact O-N 3.31Å; L181-W183 VanDerWaalsContact O-N 3.17Å; L181-W184 PolarHBondContact O-N 3.02Å; L181-W184 VanDerWaalsContact O-N 3.09Å; L181-T185 PolarHBondContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 3.35Å |
| 182 | P | 96.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 26.8 Ų | 26.8 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -29.8 | -178.6 | -23.1 | 35.6 | 0 | 0 | 0 | 113.4 | Q179 T185 L186 C210 Q213 V214 | Q179-P182 VanDerWaalsContact O-CD 3.26Å; Q179-P182 WeakPolarHBondContact O-CD 3.47Å; P182-T185 WeakPolarHBondContact O-CB 3.45Å; P182-L186 PolarHBondContact O-N 2.89Å; P182-C210 WeakPolarHBondContact O-CB 3.4Å; P182-Q213 HydrophobicContact CB-CB 3.93Å; P182-Q213 HydrophobicContact CG-CB 4.09Å; P182-V214 HydrophobicContact CB-CG2 3.88Å |
| 183 | W | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -73.1 | -41.9 | 176 | -164.1 | -10 | 0 | 0 | 0 | 111.2 | L9 S180 L181 T185 L186 R187 V214 F221 L229 Q232 F233 E236 | L9-W183 HydrophobicContact CD1-CE3 3.67Å; L9-W183 HydrophobicContact CD1-CZ3 3.76Å; L9-W183 HydrophobicContact CD2-CB 4.2Å; L9-W183 HydrophobicContact CD2-CD2 3.7Å; L9-W183 HydrophobicContact CD2-CE3 3.57Å; L9-W183 HydrophobicContact CD2-CG 4.02Å; L9-W183 HydrophobicContact CD2-CZ3 4.1Å; L9-W183 HydrophobicContact CG-CE3 4.21Å; L9-W183 HydrophobicContact CG-CZ3 4.39Å; S180-W183 WeakPolarHBondContact O-CB 3.48Å; S180-W183 PolarHBondContact O-N 3.26Å; S180-W183 VanDerWaalsContact O-N 3.12Å; L181-W183 PolarHBondContact O-N 3.31Å; L181-W183 VanDerWaalsContact O-N 3.17Å; W183-T185 VanDerWaalsContact C-N 3.33Å; W183-T185 PolarHBondContact O-N 3.08Å; W183-L186 VanDerWaalsContact O-CB 3.3Å; W183-L186 WeakPolarHBondContact O-CB 3.49Å; W183-L186 PolarHBondContact O-N 3.46Å; W183-L186 VanDerWaalsContact O-N 3.14Å; W183-R187 PolarHBondContact O-N 2.94Å; W183-V214 HydrophobicContact CB-CG2 3.81Å; W183-V214 HydrophobicContact CE3-CG1 4.36Å; W183-V214 HydrophobicContact CG-CG2 4.49Å; W183-F221 HydrophobicContact CZ3-CE1 4.49Å; W183-L229 HydrophobicContact CH2-CB 4.07Å; W183-L229 HydrophobicContact CH2-CD2 3.91Å; W183-L229 VanDerWaalsContact CH2-O 3.24Å; W183-L229 WeakPolarHBondContact CH2-O 3.45Å; W183-L229 HydrophobicContact CZ3-CB 4.27Å; W183-L229 HydrophobicContact CZ3-CD2 4.25Å; W183-Q232 HydrophobicContact CZ2-CB 4.32Å; W183-F233 AromaticContact CD2-CD2 3.9Å; W183-F233 HydrophobicContact CD2-CD2 3.9Å; W183-F233 AromaticContact CE2-CD2 3.7Å; W183-F233 HydrophobicContact CE3-CD2 4.45Å; W183-F233 HydrophobicContact CG-CD2 4.2Å; W183-F233 HydrophobicContact CH2-CB 3.66Å; W183-F233 HydrophobicContact CZ2-CB 3.51Å; W183-F233 HydrophobicContact CZ2-CD2 4.17Å; W183-F233 HydrophobicContact CZ2-CG 4.29Å; W183-F233 HydrophobicContact CZ3-CB 4.21Å; W183-F233 AromaticContact NE1-CD2 3.78Å; W183-E236 PolarHBondContact NE1-OE1 2.86Å; W183-E236 PolarHBondContact NE1-OE2 3.2Å |
| 184 | W | 97.6 | Very high | 95.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -66.1 | -35.1 | 172.3 | -81.2 | 102.9 | 0 | 0 | 0 | 113.2 | I8 F94 V98 L101 Q102 L168 S180 L181 L186 R187 C188 Y432 | I8-W184 HydrophobicContact CG2-CZ2 3.71Å; I8-W184 WeakPolarHBondContact O-CZ2 3.47Å; F94-W184 HydrophobicContact CE2-CB 4.15Å; F94-W184 AromaticContact CE2-CD1 3.73Å; F94-W184 HydrophobicContact CE2-CG 4.04Å; F94-W184 AromaticContact CZ-CD1 3.41Å; F94-W184 VanDerWaalsContact CZ-CD1 3.41Å; F94-W184 HydrophobicContact CZ-CG 4.1Å; F94-W184 AromaticContact CZ-NE1 3.81Å; V98-W184 HydrophobicContact CG1-CD2 4.15Å; V98-W184 HydrophobicContact CG1-CE3 4.02Å; V98-W184 HydrophobicContact CG1-CH2 3.48Å; V98-W184 VanDerWaalsContact CG1-CH2 3.48Å; V98-W184 HydrophobicContact CG1-CZ2 3.61Å; V98-W184 HydrophobicContact CG1-CZ3 3.71Å; V98-W184 HydrophobicContact CG2-CD2 3.65Å; V98-W184 HydrophobicContact CG2-CE3 4.04Å; V98-W184 HydrophobicContact CG2-CG 3.88Å; V98-W184 HydrophobicContact CG2-CZ2 4.37Å; L101-W184 HydrophobicContact CD2-CE3 3.97Å; L101-W184 HydrophobicContact CD2-CZ3 4.1Å; Q102-W184 HydrophobicContact CG-CH2 4.45Å; L168-W184 HydrophobicContact CD1-CB 4.4Å; L168-W184 HydrophobicContact CD2-CB 4.23Å; S180-W184 PolarHBondContact O-N 3.39Å; L181-W184 PolarHBondContact O-N 3.02Å; L181-W184 VanDerWaalsContact O-N 3.09Å; W184-L186 VanDerWaalsContact C-N 3.31Å; W184-L186 PolarHBondContact O-N 3.17Å; W184-R187 HydrophobicContact CE3-CB 4.36Å; W184-R187 PolarHBondContact O-N 3.06Å; W184-C188 WeakPolarHBondContact O-CB 3.48Å; W184-C188 PolarHBondContact O-N 3.35Å; W184-Y432 HydrophobicContact CH2-CE2 4.45Å; W184-Y432 HydrophobicContact CZ3-CE2 4.28Å |
| 185 | T | 98.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 169.3 | -51.3 | 0 | 0 | 0 | 0 | 110.5 | L168 V169 L181 P182 W183 C188 V189 C210 | L168-T185 WeakPolarHBondContact O-CG2 3.25Å; L168-T185 PolarHBondContact O-OG1 2.95Å; V169-T185 HydrophobicContact CG2-CG2 4.02Å; L181-T185 PolarHBondContact O-N 3.17Å; L181-T185 PolarHBondContact O-OG1 3.35Å; P182-T185 WeakPolarHBondContact O-CB 3.45Å; W183-T185 VanDerWaalsContact C-N 3.33Å; W183-T185 PolarHBondContact O-N 3.08Å; T185-C188 PolarHBondContact O-N 3.14Å; T185-V189 HydrophobicContact CG2-CG2 4.39Å; T185-V189 WeakPolarHBondContact O-CB 3.26Å; T185-V189 VanDerWaalsContact O-CG2 3.26Å; T185-V189 WeakPolarHBondContact O-CG2 3.38Å; T185-V189 PolarHBondContact O-N 2.81Å; T185-C210 VanDerWaalsContact CG2-SG 3.53Å |
| 186 | L | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 176 | -179.9 | 65.4 | 0 | 0 | 0 | 111.7 | P182 W183 W184 C188 V189 N190 A207 C210 I211 F233 V240 | P182-L186 PolarHBondContact O-N 2.89Å; W183-L186 VanDerWaalsContact O-CB 3.3Å; W183-L186 WeakPolarHBondContact O-CB 3.49Å; W183-L186 PolarHBondContact O-N 3.46Å; W183-L186 VanDerWaalsContact O-N 3.14Å; W184-L186 VanDerWaalsContact C-N 3.31Å; W184-L186 PolarHBondContact O-N 3.17Å; L186-C188 PolarHBondContact O-N 2.93Å; L186-V189 PolarHBondContact O-N 3.44Å; L186-N190 WeakPolarHBondContact O-CB 3.34Å; L186-N190 PolarHBondContact O-N 2.85Å; L186-A207 HydrophobicContact CD1-CB 3.61Å; L186-C210 HydrophobicContact CB-CB 4.08Å; L186-I211 HydrophobicContact CD1-CD1 4.31Å; L186-I211 HydrophobicContact CD1-CG1 4.05Å; L186-I211 HydrophobicContact CD2-CG1 3.81Å; L186-F233 HydrophobicContact CD2-CE2 4.15Å; L186-V240 HydrophobicContact CD1-CG2 4.2Å |
| 187 | R | 98.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 15.7 Ų | 15.7 | 3% | 0.034 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.1 | -71.1 | 176.7 | 174.8 | 176.4 | -3 | 111.7 | L9 L101 W183 W184 N190 I191 E236 Y432 | L9-R187 PolarHBondContact O-NH1 3.43Å; L9-R187 PolarHBondContact O-NH2 3.18Å; L101-R187 HydrophobicContact CD2-CB 4.03Å; W183-R187 PolarHBondContact O-N 2.94Å; W184-R187 HydrophobicContact CE3-CB 4.36Å; W184-R187 PolarHBondContact O-N 3.06Å; R187-N190 PolarHBondContact O-N 3.01Å; R187-I191 WeakPolarHBondContact O-CG1 3.21Å; R187-I191 PolarHBondContact O-N 3.24Å; R187-E236 VanDerWaalsContact CG-OE2 3.29Å; R187-E236 WeakPolarHBondContact CG-OE2 3.33Å; R187-E236 IonicContact CZ-OE1 3.64Å; R187-E236 IonicContact NE-OE1 2.73Å; R187-E236 PolarHBondContact NE-OE1 3.31Å; R187-E236 VanDerWaalsContact NE-OE1 3.1Å; R187-E236 IonicContact NE-OE2 3.67Å; R187-E236 PolarHBondContact NE-OE2 3.2Å; R187-E236 VanDerWaalsContact NE-OE2 3.13Å; R187-E236 IonicContact NH2-OE1 3.78Å; R187-E236 PolarHBondContact NH2-OE1 3.5Å; R187-Y432 HydrophobicContact CB-CD1 4.06Å; R187-Y432 HydrophobicContact CB-CE1 3.85Å; R187-Y432 HydrophobicContact CG-CD1 3.82Å; R187-Y432 HydrophobicContact CG-CD2 4.37Å; R187-Y432 HydrophobicContact CG-CE1 4.05Å; R187-Y432 HydrophobicContact CG-CG 3.99Å |
| 188 | C | 98.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.007 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 177 | -176.1 | 0 | 0 | 0 | 0 | 112.3 | L101 L168 W184 T185 L186 N190 I191 H192 | L101-C188 HydrophobicContact CD1-CB 4.34Å; L101-C188 HydrophobicContact CD2-CB 4.04Å; L168-C188 HydrophobicContact CD1-CB 4.04Å; W184-C188 WeakPolarHBondContact O-CB 3.48Å; W184-C188 PolarHBondContact O-N 3.35Å; T185-C188 PolarHBondContact O-N 3.14Å; L186-C188 PolarHBondContact O-N 2.93Å; C188-N190 VanDerWaalsContact C-N 3.35Å; C188-I191 PolarHBondContact O-N 3.03Å; C188-H192 WeakPolarHBondContact O-CB 3.45Å; C188-H192 PolarHBondContact O-N 3.37Å |
| 189 | V | 97.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.012 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 178 | 165.5 | 0 | 0 | 0 | 0 | 110.8 | V169 T185 L186 H192 Q193 L203 L206 A207 | V169-V189 HydrophobicContact CG2-CG2 4.39Å; T185-V189 HydrophobicContact CG2-CG2 4.39Å; T185-V189 WeakPolarHBondContact O-CB 3.26Å; T185-V189 VanDerWaalsContact O-CG2 3.26Å; T185-V189 WeakPolarHBondContact O-CG2 3.38Å; T185-V189 PolarHBondContact O-N 2.81Å; L186-V189 PolarHBondContact O-N 3.44Å; V189-H192 PolarHBondContact O-N 3.28Å; V189-Q193 PolarHBondContact O-N 2.91Å; V189-L203 HydrophobicContact CG1-CB 3.94Å; V189-L203 HydrophobicContact CG1-CD2 4.15Å; V189-L203 VanDerWaalsContact CG1-O 3.31Å; V189-L203 WeakPolarHBondContact CG1-O 3.48Å; V189-L206 HydrophobicContact CG2-CB 4.35Å; V189-A207 HydrophobicContact CG1-CB 4.11Å |
| 190 | N | 97.2 | Very high | 95.6 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 11% | 0.107 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 178.7 | -168 | 60.4 | 0 | 0 | 0 | 112 | L186 R187 C188 H192 Q193 H194 V240 | L186-N190 WeakPolarHBondContact O-CB 3.34Å; L186-N190 PolarHBondContact O-N 2.85Å; R187-N190 PolarHBondContact O-N 3.01Å; C188-N190 VanDerWaalsContact C-N 3.35Å; N190-H192 VanDerWaalsContact C-N 3.3Å; N190-H192 PolarHBondContact O-N 3.34Å; N190-Q193 PolarHBondContact O-N 2.98Å; N190-H194 PolarHBondContact ND2-NE2 3.22Å; N190-H194 PolarHBondContact O-CD2 2.93Å; N190-H194 PolarHBondContact O-N 3.26Å; N190-V240 HydrophobicContact CB-CG2 4.48Å |
| 191 | I | 97.8 | Very high | 95.7 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 2% | 0.015 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.5 | -68.4 | -60.8 | 0 | 0 | 0 | 111.3 | L101 F104 V105 W109 L161 R187 C188 Q193 H194 F431 Y432 | L101-I191 HydrophobicContact CD1-CB 4.09Å; L101-I191 HydrophobicContact CD1-CG1 4.15Å; L101-I191 HydrophobicContact CD1-CG2 4.15Å; F104-I191 HydrophobicContact CD1-CG2 3.75Å; F104-I191 HydrophobicContact CE1-CG2 3.65Å; V105-I191 HydrophobicContact CG2-CD1 3.86Å; V105-I191 HydrophobicContact CG2-CG1 3.96Å; V105-I191 HydrophobicContact CG2-CG2 4.46Å; W109-I191 HydrophobicContact CH2-CG2 3.98Å; W109-I191 HydrophobicContact CZ2-CD1 4.41Å; W109-I191 HydrophobicContact CZ3-CG2 4.1Å; L161-I191 HydrophobicContact CD1-CG2 4.37Å; R187-I191 WeakPolarHBondContact O-CG1 3.21Å; R187-I191 PolarHBondContact O-N 3.24Å; C188-I191 PolarHBondContact O-N 3.03Å; I191-Q193 VanDerWaalsContact C-N 3.35Å; I191-Q193 PolarHBondContact O-N 3.33Å; I191-H194 PolarHBondContact O-N 2.84Å; I191-F431 HydrophobicContact CD1-CE1 4.09Å; I191-F431 HydrophobicContact CD1-CZ 4.34Å; I191-Y432 HydrophobicContact CD1-CE1 4.36Å; I191-Y432 HydrophobicContact CG1-CE1 4.13Å |
| 192 | H | 97.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 176.3 | -171.7 | -162.8 | 0 | 0 | 0 | 112.2 | L144 L161 R165 C188 V189 N190 H194 L195 L203 | L144-H192 PolarHBondContact O-CE1 3.12Å; L144-H192 VanDerWaalsContact O-CE1 3.25Å; L144-H192 PolarHBondContact O-NE2 3.28Å; L161-H192 HydrophobicContact CD2-CB 4.35Å; R165-H192 PolarHBondContact NH1-ND1 2.84Å; C188-H192 WeakPolarHBondContact O-CB 3.45Å; C188-H192 PolarHBondContact O-N 3.37Å; V189-H192 PolarHBondContact O-N 3.28Å; N190-H192 VanDerWaalsContact C-N 3.3Å; N190-H192 PolarHBondContact O-N 3.34Å; H192-H194 VanDerWaalsContact C-N 3.28Å; H192-H194 PolarHBondContact O-N 3.12Å; H192-L195 WeakPolarHBondContact O-CB 3.39Å; H192-L195 PolarHBondContact O-N 3.31Å; H192-L195 VanDerWaalsContact O-N 3.15Å; H192-L203 HydrophobicContact CB-CD1 4.27Å |
| 193 | Q | 96 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -36.4 | 177.7 | 176.2 | 56.3 | 64.9 | 0 | 0 | 112.4 | V189 N190 I191 L195 L196 E198 L203 Y243 Y244 | V189-Q193 PolarHBondContact O-N 2.91Å; N190-Q193 PolarHBondContact O-N 2.98Å; I191-Q193 VanDerWaalsContact C-N 3.35Å; I191-Q193 PolarHBondContact O-N 3.33Å; Q193-L195 PolarHBondContact O-N 3.07Å; Q193-L196 PolarHBondContact O-N 2.95Å; Q193-E198 PolarHBondContact NE2-O 2.84Å; Q193-L203 HydrophobicContact CB-CD1 3.92Å; Q193-Y243 HydrophobicContact CG-CD1 3.89Å; Q193-Y243 HydrophobicContact CG-CE1 3.21Å; Q193-Y243 PolarHBondContact NE2-OH 3.41Å; Q193-Y243 VanDerWaalsContact NE2-OH 3.08Å; Q193-Y244 HydrophobicContact CG-CE2 4.46Å; Q193-Y244 WeakPolarHBondContact CG-OH 3.49Å; Q193-Y244 PolarHBondContact OE1-OH 3.07Å |
| 194 | H | 94.3 | Very high | 95.7 | Very high | 47 Ų | 47 | 19.5 Ų | 19.5 | 22% | 0.218 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.4 | 179.8 | -73.8 | -65.7 | 0 | 0 | 0 | 114.7 | W109 N190 I191 H192 | W109-H194 HydrophobicContact CZ2-CB 3.9Å; N190-H194 PolarHBondContact ND2-NE2 3.22Å; N190-H194 PolarHBondContact O-CD2 2.93Å; N190-H194 PolarHBondContact O-N 3.26Å; I191-H194 PolarHBondContact O-N 2.84Å; H192-H194 VanDerWaalsContact C-N 3.28Å; H192-H194 PolarHBondContact O-N 3.12Å |
| 195 | L | 94.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -23.4 | 174 | -63.9 | -177.8 | 0 | 0 | 0 | 113.7 | F104 W109 I151 Y152 T155 L161 H192 Q193 W440 | F104-L195 HydrophobicContact CE1-CD1 4.1Å; F104-L195 HydrophobicContact CZ-CD1 3.72Å; F104-L195 HydrophobicContact CZ-CD2 4.21Å; F104-L195 HydrophobicContact CZ-CG 4.47Å; W109-L195 HydrophobicContact CH2-CD2 3.74Å; W109-L195 HydrophobicContact CH2-CG 4.36Å; W109-L195 HydrophobicContact CZ3-CD2 4.39Å; I151-L195 WeakPolarHBondContact CA-O 3.39Å; I151-L195 HydrophobicContact CG2-CB 3.99Å; Y152-L195 PolarHBondContact N-O 3.46Å; T155-L195 HydrophobicContact CG2-CD1 4.33Å; T155-L195 HydrophobicContact CG2-CD2 4.09Å; L161-L195 HydrophobicContact CD2-CD1 3.26Å; L161-L195 HydrophobicContact CD2-CG 4.47Å; H192-L195 WeakPolarHBondContact O-CB 3.39Å; H192-L195 PolarHBondContact O-N 3.31Å; H192-L195 VanDerWaalsContact O-N 3.15Å; Q193-L195 PolarHBondContact O-N 3.07Å; L195-W440 HydrophobicContact CD2-CH2 3.65Å; L195-W440 HydrophobicContact CD2-CZ2 3.82Å |
| 196 | L | 93.1 | Very high | 95.6 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 5% | 0.047 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -77.7 | 143.9 | 179.8 | -62.9 | 170.6 | 0 | 0 | 0 | 110.1 | L146 E149 I151 Q193 E198 L203 | L146-L196 HydrophobicContact CB-CD1 4.42Å; E149-L196 HydrophobicContact CB-CB 4.49Å; E149-L196 HydrophobicContact CB-CD2 4.24Å; I151-L196 HydrophobicContact CD1-CD2 4.08Å; I151-L196 HydrophobicContact CG1-CD2 3.54Å; I151-L196 HydrophobicContact CG1-CG 4.49Å; Q193-L196 PolarHBondContact O-N 2.95Å; L196-E198 VanDerWaalsContact C-N 3.28Å; L196-E198 WeakPolarHBondContact CB-O 3.27Å; L196-E198 PolarHBondContact O-N 3.09Å; L196-L203 HydrophobicContact CD1-CD1 3.79Å |
| 197 | E | 88.2 | Confident | 95.6 | Very high | 82 Ų | 82 | 24.8 Ų | 24.8 | 38% | 0.383 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -60.7 | -37.5 | 175.4 | -78 | -179.3 | -149.6 | 0 | 0 | 112.3 | S150 R528 | S150-E197 WeakPolarHBondContact CB-OE1 3.48Å; S150-E197 PolarHBondContact O-N 3.27Å; S150-E197 PolarHBondContact OG-OE1 3.25Å; S150-E197 PolarHBondContact OG-OE2 2.9Å; E197-R528 IonicContact OE1-NH1 2.74Å; E197-R528 IonicContact OE2-CZ 2.98Å; E197-R528 IonicContact OE2-NH1 3.8Å; E197-R528 PolarHBondContact OE2-NH1 3.33Å |
| 198 | E | 90.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 26.9 Ų | 26.9 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -130.3 | 171 | -179.1 | -65.1 | -77.1 | -171.8 | 0 | 0 | 112 | E149 Q193 L196 R531 | E149-E198 HydrophobicContact CG-CB 4.02Å; Q193-E198 PolarHBondContact NE2-O 2.84Å; L196-E198 VanDerWaalsContact C-N 3.28Å; L196-E198 WeakPolarHBondContact CB-O 3.27Å; L196-E198 PolarHBondContact O-N 3.09Å; E198-R531 IonicContact OE1-CZ 2.82Å; E198-R531 IonicContact OE1-NH1 3.38Å; E198-R531 PolarHBondContact OE1-NH1 3.35Å; E198-R531 IonicContact OE1-NH2 3.85Å |
| 199 | R | 94.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 30.2 Ų | 30.2 | 15% | 0.151 | 15% | 0.154 | C | C | . | . | trans | -66.5 | 134.5 | -179.7 | -70.5 | 163 | -172.4 | 80 | 0.4 | 111.8 | P201 Y243 Y244 Y245 N557 M559 | R199-P201 WeakPolarHBondContact O-CD 2.97Å; R199-Y243 HydrophobicContact CB-CE1 4.47Å; R199-Y243 HydrophobicContact CG-CD1 4.1Å; R199-Y243 HydrophobicContact CG-CE1 3.51Å; R199-Y243 PolarHBondContact NE-O 3.01Å; R199-Y243 PolarHBondContact NH2-O 3.26Å; R199-Y244 HydrophobicContact CB-CD1 4.14Å; R199-Y244 HydrophobicContact CB-CE1 4.02Å; R199-Y244 HydrophobicContact CG-CD1 4.14Å; R199-Y244 HydrophobicContact CG-CE1 4.27Å; R199-Y245 VanDerWaalsContact CD-CE2 3.47Å; R199-Y245 VanDerWaalsContact NE-CE2 3.29Å; R199-Y245 PolarHBondContact NH1-OH 3.31Å; R199-Y245 PolarHBondContact NH2-OH 3.42Å; R199-N557 PolarHBondContact O-ND2 2.82Å; R199-N557 PolarHBondContact O-OD1 2.66Å; R199-M559 HydrophobicContact CB-CB 3.8Å; R199-M559 HydrophobicContact CB-SD 4.11Å | ||
| 200 | S | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -99.8 | 115.3 | 174.4 | 165.7 | 0 | 0 | 0 | 0 | 111.5 | D147 L202 L203 F204 | D147-S200 WeakPolarHBondContact OD2-CA 3.48Å; D147-S200 VanDerWaalsContact OD2-CB 3.27Å; D147-S200 WeakPolarHBondContact OD2-CB 3.44Å; D147-S200 PolarHBondContact OD2-OG 3.29Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-L202 PolarHBondContact OG-N 3.34Å; S200-L203 PolarHBondContact O-N 3.34Å; S200-L203 WeakPolarHBondContact OG-CG 3.41Å; S200-L203 PolarHBondContact OG-N 2.88Å; S200-L203 VanDerWaalsContact OG-N 3.13Å; S200-F204 PolarHBondContact O-N 2.97Å | ||
| 201 | P | 94.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 20% | 0.195 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.5 | -34.9 | 170.7 | -17 | 18.5 | 0 | 0 | 0 | 113.9 | D147 R199 F204 T205 P558 M559 | D147-P201 VanDerWaalsContact OD2-CD 3.26Å; D147-P201 WeakPolarHBondContact OD2-CD 3.36Å; R199-P201 WeakPolarHBondContact O-CD 2.97Å; P201-F204 PolarHBondContact O-N 2.99Å; P201-T205 PolarHBondContact O-N 3.45Å; P201-T205 PolarHBondContact O-OG1 2.9Å; P201-P558 HydrophobicContact CG-CG 3.79Å; P201-M559 HydrophobicContact CB-SD 4.29Å; P201-M559 HydrophobicContact CG-CG 3.97Å; P201-M559 HydrophobicContact CG-SD 4.14Å |
| 202 | L | 95.3 | Very high | 95.5 | Very high | 92 Ų | 92 | 33.6 Ų | 33.6 | 48% | 0.482 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.4 | -46.4 | 179.1 | -70.7 | 175.7 | 0 | 0 | 0 | 111.4 | D147 S200 F204 T205 L206 | D147-L202 WeakPolarHBondContact OD1-CD1 3.45Å; D147-L202 VanDerWaalsContact OD1-CG 3.3Å; D147-L202 WeakPolarHBondContact OD1-CG 3.3Å; D147-L202 PolarHBondContact OD2-N 2.92Å; S200-L202 PolarHBondContact O-N 3.39Å; S200-L202 PolarHBondContact OG-N 3.34Å; L202-F204 VanDerWaalsContact C-N 3.33Å; L202-T205 PolarHBondContact O-N 3.32Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-L206 VanDerWaalsContact O-N 3.12Å |
| 203 | L | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 176.6 | -67.6 | -176.2 | 0 | 0 | 0 | 111.4 | L146 V189 H192 Q193 L196 S200 L206 A207 Y244 | L146-L203 HydrophobicContact CD1-CD1 4.1Å; L146-L203 HydrophobicContact CD1-CD2 3.57Å; L146-L203 HydrophobicContact CD1-CG 3.71Å; V189-L203 HydrophobicContact CG1-CB 3.94Å; V189-L203 HydrophobicContact CG1-CD2 4.15Å; V189-L203 VanDerWaalsContact CG1-O 3.31Å; V189-L203 WeakPolarHBondContact CG1-O 3.48Å; H192-L203 HydrophobicContact CB-CD1 4.27Å; Q193-L203 HydrophobicContact CB-CD1 3.92Å; L196-L203 HydrophobicContact CD1-CD1 3.79Å; S200-L203 PolarHBondContact O-N 3.34Å; S200-L203 WeakPolarHBondContact OG-CG 3.41Å; S200-L203 PolarHBondContact OG-N 2.88Å; S200-L203 VanDerWaalsContact OG-N 3.13Å; L203-L206 PolarHBondContact O-N 3.23Å; L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 2.94Å; L203-Y244 WeakPolarHBondContact CB-OH 3.44Å |
| 204 | F | 97.3 | Very high | 95.3 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 9% | 0.088 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -47.1 | 176.1 | -173.8 | -130.8 | 0 | 0 | 0 | 112.5 | S200 P201 L202 L206 A207 E208 F241 Y244 E246 M559 | S200-F204 PolarHBondContact O-N 2.97Å; P201-F204 PolarHBondContact O-N 2.99Å; L202-F204 VanDerWaalsContact C-N 3.33Å; F204-L206 VanDerWaalsContact C-N 3.27Å; F204-L206 PolarHBondContact O-N 3.47Å; F204-A207 WeakPolarHBondContact O-CB 3.12Å; F204-A207 PolarHBondContact O-N 3.22Å; F204-A207 VanDerWaalsContact O-N 3.08Å; F204-E208 HydrophobicContact CD2-CG 4.27Å; F204-E208 HydrophobicContact CE1-CG 4.21Å; F204-E208 HydrophobicContact CE2-CG 3.75Å; F204-E208 VanDerWaalsContact CZ-CD 3.43Å; F204-E208 HydrophobicContact CZ-CG 3.7Å; F204-E208 WeakPolarHBondContact CZ-OE1 3.4Å; F204-E208 PolarHBondContact O-N 2.73Å; F204-F241 HydrophobicContact CE2-CD1 4.24Å; F204-F241 HydrophobicContact CE2-CE1 4.44Å; F204-F241 HydrophobicContact CZ-CD1 4.49Å; F204-Y244 HydrophobicContact CB-CD1 3.76Å; F204-Y244 HydrophobicContact CB-CD2 4.23Å; F204-Y244 HydrophobicContact CB-CE1 3.57Å; F204-Y244 HydrophobicContact CB-CE2 4.08Å; F204-Y244 HydrophobicContact CB-CG 4.06Å; F204-Y244 HydrophobicContact CD1-CG 4.49Å; F204-Y244 AromaticContact CD2-CD1 3.96Å; F204-Y244 HydrophobicContact CD2-CD1 3.96Å; F204-Y244 AromaticContact CD2-CD2 3.22Å; F204-Y244 HydrophobicContact CD2-CD2 3.22Å; F204-Y244 HydrophobicContact CD2-CE1 4.36Å; F204-Y244 AromaticContact CD2-CE2 3.71Å; F204-Y244 HydrophobicContact CD2-CE2 3.71Å; F204-Y244 AromaticContact CD2-CG 3.33Å; F204-Y244 HydrophobicContact CD2-CG 3.33Å; F204-Y244 AromaticContact CE2-CD2 3.85Å; F204-Y244 HydrophobicContact CE2-CD2 3.85Å; F204-Y244 AromaticContact CE2-CG 3.91Å; F204-Y244 HydrophobicContact CE2-CG 3.91Å; F204-Y244 AromaticContact CG-CD1 3.84Å; F204-Y244 HydrophobicContact CG-CD1 3.84Å; F204-Y244 AromaticContact CG-CD2 3.96Å; F204-Y244 HydrophobicContact CG-CD2 3.96Å; F204-Y244 HydrophobicContact CG-CE1 4.15Å; F204-Y244 HydrophobicContact CG-CE2 4.27Å; F204-Y244 AromaticContact CG-CG 3.7Å; F204-Y244 HydrophobicContact CG-CG 3.7Å; F204-Y244 PolarHBondContact N-OH 3.03Å; F204-E246 HydrophobicContact CE1-CG 4.45Å; F204-E246 HydrophobicContact CZ-CG 3.78Å; F204-M559 HydrophobicContact CD1-CE 4.49Å |
| 205 | T | 97.1 | Very high | 95.2 | Very high | 74 Ų | 74 | 38 Ų | 38 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | P201 L202 N209 | P201-T205 PolarHBondContact O-N 3.45Å; P201-T205 PolarHBondContact O-OG1 2.9Å; L202-T205 PolarHBondContact O-N 3.32Å; T205-N209 PolarHBondContact O-N 3.46Å; T205-N209 PolarHBondContact O-ND2 2.91Å |
| 206 | L | 97.2 | Very high | 95.1 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 22% | 0.215 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 174.8 | -71.1 | 173.6 | 0 | 0 | 0 | 111.8 | V169 V189 L202 L203 F204 N209 C210 | V169-L206 HydrophobicContact CG1-CD1 4.3Å; V189-L206 HydrophobicContact CG2-CB 4.35Å; L202-L206 WeakPolarHBondContact O-CG 3.45Å; L202-L206 PolarHBondContact O-N 2.85Å; L202-L206 VanDerWaalsContact O-N 3.12Å; L203-L206 PolarHBondContact O-N 3.23Å; F204-L206 VanDerWaalsContact C-N 3.27Å; F204-L206 PolarHBondContact O-N 3.47Å; L206-N209 PolarHBondContact O-N 2.93Å; L206-C210 PolarHBondContact O-N 3.43Å; L206-C210 PolarHBondContact O-SG 3.02Å; L206-C210 VanDerWaalsContact O-SG 3.37Å |
| 207 | A | 97.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L186 V189 L203 F204 N209 C210 I211 V240 | L186-A207 HydrophobicContact CD1-CB 3.61Å; V189-A207 HydrophobicContact CG1-CB 4.11Å; L203-A207 WeakPolarHBondContact O-CB 3.4Å; L203-A207 PolarHBondContact O-N 2.94Å; F204-A207 WeakPolarHBondContact O-CB 3.12Å; F204-A207 PolarHBondContact O-N 3.22Å; F204-A207 VanDerWaalsContact O-N 3.08Å; A207-N209 VanDerWaalsContact C-N 3.35Å; A207-N209 PolarHBondContact O-N 3.36Å; A207-C210 WeakPolarHBondContact O-CB 3.26Å; A207-C210 PolarHBondContact O-N 3.28Å; A207-C210 VanDerWaalsContact O-N 3.15Å; A207-I211 VanDerWaalsContact O-CG1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.31Å; A207-I211 PolarHBondContact O-N 3.09Å; A207-V240 HydrophobicContact CB-CG1 3.99Å |
| 208 | E | 97.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 177.2 | -71.5 | -165.5 | 118 | 0 | 0 | 111.8 | F204 C210 I211 D212 F241 K249 | F204-E208 HydrophobicContact CD2-CG 4.27Å; F204-E208 HydrophobicContact CE1-CG 4.21Å; F204-E208 HydrophobicContact CE2-CG 3.75Å; F204-E208 VanDerWaalsContact CZ-CD 3.43Å; F204-E208 HydrophobicContact CZ-CG 3.7Å; F204-E208 WeakPolarHBondContact CZ-OE1 3.4Å; F204-E208 PolarHBondContact O-N 2.73Å; E208-C210 VanDerWaalsContact C-N 3.3Å; E208-C210 PolarHBondContact O-N 3.26Å; E208-I211 PolarHBondContact O-N 2.94Å; E208-D212 PolarHBondContact O-N 3.07Å; E208-F241 HydrophobicContact CG-CE1 4.39Å; E208-K249 IonicContact OE1-NZ 2.79Å; E208-K249 PolarHBondContact OE1-NZ 3.12Å |
| 209 | N | 97.2 | Very high | 93.6 | Very high | 70 Ų | 70 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -39.3 | 176.3 | -75.4 | -51.3 | 0 | 0 | 0 | 112.6 | T205 L206 A207 Q213 | T205-N209 PolarHBondContact O-N 3.46Å; T205-N209 PolarHBondContact O-ND2 2.91Å; L206-N209 PolarHBondContact O-N 2.93Å; A207-N209 VanDerWaalsContact C-N 3.35Å; A207-N209 PolarHBondContact O-N 3.36Å; N209-Q213 VanDerWaalsContact O-CG 3.25Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.24Å; N209-Q213 VanDerWaalsContact O-N 3.12Å |
| 210 | C | 97.2 | Very high | 93 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.6 | -44.2 | 175.9 | -75.5 | 0 | 0 | 0 | 0 | 111.5 | P182 T185 L186 L206 A207 E208 D212 Q213 V214 | P182-C210 WeakPolarHBondContact O-CB 3.4Å; T185-C210 VanDerWaalsContact CG2-SG 3.53Å; L186-C210 HydrophobicContact CB-CB 4.08Å; L206-C210 PolarHBondContact O-N 3.43Å; L206-C210 PolarHBondContact O-SG 3.02Å; L206-C210 VanDerWaalsContact O-SG 3.37Å; A207-C210 WeakPolarHBondContact O-CB 3.26Å; A207-C210 PolarHBondContact O-N 3.28Å; A207-C210 VanDerWaalsContact O-N 3.15Å; E208-C210 VanDerWaalsContact C-N 3.3Å; E208-C210 PolarHBondContact O-N 3.26Å; C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact O-N 2.9Å; C210-Q213 PolarHBondContact O-N 2.98Å; C210-V214 WeakPolarHBondContact O-CG2 3.19Å; C210-V214 PolarHBondContact O-N 3.18Å |
| 211 | I | 97.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.026 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.6 | -49 | 176.4 | -67.6 | 169.5 | 0 | 0 | 0 | 110 | L186 A207 E208 Q213 V214 M215 F233 C237 V240 F241 | L186-I211 HydrophobicContact CD1-CD1 4.31Å; L186-I211 HydrophobicContact CD1-CG1 4.05Å; L186-I211 HydrophobicContact CD2-CG1 3.81Å; A207-I211 VanDerWaalsContact O-CG1 3.29Å; A207-I211 WeakPolarHBondContact O-CG1 3.31Å; A207-I211 PolarHBondContact O-N 3.09Å; E208-I211 PolarHBondContact O-N 2.94Å; I211-Q213 VanDerWaalsContact C-N 3.27Å; I211-Q213 PolarHBondContact O-N 3.42Å; I211-V214 PolarHBondContact O-N 3Å; I211-M215 HydrophobicContact CG2-CE 4.14Å; I211-M215 HydrophobicContact CG2-CG 4.21Å; I211-M215 WeakPolarHBondContact O-CB 3.39Å; I211-M215 WeakPolarHBondContact O-CG 3.22Å; I211-M215 PolarHBondContact O-N 3.06Å; I211-F233 HydrophobicContact CG2-CZ 4.24Å; I211-C237 HydrophobicContact CD1-CB 4.24Å; I211-V240 HydrophobicContact CD1-CG1 4.44Å; I211-F241 HydrophobicContact CD1-CE1 4.16Å; I211-F241 HydrophobicContact CD1-CE2 4.17Å; I211-F241 HydrophobicContact CD1-CZ 3.72Å; I211-F241 HydrophobicContact CG2-CZ 4.41Å |
| 212 | D | 96.4 | Very high | 91.6 | Very high | 91 Ų | 91 | 58.5 Ų | 58.5 | 49% | 0.487 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.5 | -33.4 | 178.4 | -77 | -14.5 | 0 | 0 | 0 | 113.2 | E208 C210 K216 | E208-D212 PolarHBondContact O-N 3.07Å; C210-D212 VanDerWaalsContact C-N 3.34Å; C210-D212 PolarHBondContact O-N 2.9Å; D212-K216 WeakPolarHBondContact O-CD 3.18Å; D212-K216 VanDerWaalsContact O-CG 3.32Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å |
| 213 | Q | 95.2 | Very high | 90.8 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 35% | 0.346 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.7 | -45.4 | 176.1 | -75.2 | 173.4 | 25.4 | 0 | 0 | 111.7 | P182 N209 C210 I211 K216 | P182-Q213 HydrophobicContact CB-CB 3.93Å; P182-Q213 HydrophobicContact CG-CB 4.09Å; N209-Q213 VanDerWaalsContact O-CG 3.25Å; N209-Q213 WeakPolarHBondContact O-CG 3.4Å; N209-Q213 PolarHBondContact O-N 3.24Å; N209-Q213 VanDerWaalsContact O-N 3.12Å; C210-Q213 PolarHBondContact O-N 2.98Å; I211-Q213 VanDerWaalsContact C-N 3.27Å; I211-Q213 PolarHBondContact O-N 3.42Å; Q213-K216 PolarHBondContact O-N 3.31Å |
| 214 | V | 94.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | P182 W183 C210 I211 K216 L217 F221 F233 | P182-V214 HydrophobicContact CB-CG2 3.88Å; W183-V214 HydrophobicContact CB-CG2 3.81Å; W183-V214 HydrophobicContact CE3-CG1 4.36Å; W183-V214 HydrophobicContact CG-CG2 4.49Å; C210-V214 WeakPolarHBondContact O-CG2 3.19Å; C210-V214 PolarHBondContact O-N 3.18Å; I211-V214 PolarHBondContact O-N 3Å; V214-K216 PolarHBondContact O-N 2.9Å; V214-K216 VanDerWaalsContact O-N 3.11Å; V214-L217 WeakPolarHBondContact O-CB 3.46Å; V214-L217 PolarHBondContact O-N 3.26Å; V214-F221 HydrophobicContact CG1-CE2 4.47Å; V214-F221 HydrophobicContact CG1-CZ 3.97Å; V214-F233 HydrophobicContact CB-CD2 4.48Å; V214-F233 HydrophobicContact CB-CE1 4.07Å; V214-F233 HydrophobicContact CB-CE2 3.66Å; V214-F233 HydrophobicContact CB-CZ 3.43Å; V214-F233 VanDerWaalsContact CB-CZ 3.43Å; V214-F233 HydrophobicContact CG1-CD1 4.07Å; V214-F233 HydrophobicContact CG1-CD2 3.86Å; V214-F233 HydrophobicContact CG1-CE1 3.7Å; V214-F233 HydrophobicContact CG1-CE2 3.51Å; V214-F233 HydrophobicContact CG1-CG 4.15Å; V214-F233 HydrophobicContact CG1-CZ 3.44Å; V214-F233 VanDerWaalsContact CG1-CZ 3.44Å; V214-F233 HydrophobicContact CG2-CE2 4.07Å; V214-F233 HydrophobicContact CG2-CZ 4.29Å |
| 215 | M | 92.4 | Very high | 89 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 32% | 0.315 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.4 | -25.7 | 176.2 | -71.3 | -72 | 178.6 | 0 | 0 | 113.2 | I211 L217 F233 Q253 | I211-M215 HydrophobicContact CG2-CE 4.14Å; I211-M215 HydrophobicContact CG2-CG 4.21Å; I211-M215 WeakPolarHBondContact O-CB 3.39Å; I211-M215 WeakPolarHBondContact O-CG 3.22Å; I211-M215 PolarHBondContact O-N 3.06Å; M215-L217 VanDerWaalsContact C-N 3.34Å; M215-F233 HydrophobicContact CE-CD1 4.13Å; M215-F233 HydrophobicContact CE-CE1 3.37Å; M215-F233 HydrophobicContact CE-CZ 4.08Å; M215-F233 HydrophobicContact CG-CE1 3.95Å; M215-F233 HydrophobicContact CG-CZ 4.32Å; M215-F233 HydrophobicContact SD-CE1 3.69Å; M215-Q253 VanDerWaalsContact CE-OE1 3.22Å |
| 216 | K | 92.1 | Very high | 88.5 | Confident | 162 Ų | 162 | 59.4 Ų | 59.4 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -16.2 | 176.5 | -69.5 | 167.4 | -171.5 | 172.1 | 0 | 113.2 | D212 Q213 V214 Q218 | D212-K216 WeakPolarHBondContact O-CD 3.18Å; D212-K216 VanDerWaalsContact O-CG 3.32Å; D212-K216 WeakPolarHBondContact O-CG 3.39Å; Q213-K216 PolarHBondContact O-N 3.31Å; V214-K216 PolarHBondContact O-N 2.9Å; V214-K216 VanDerWaalsContact O-N 3.11Å; K216-Q218 VanDerWaalsContact C-N 3.27Å; K216-Q218 PolarHBondContact O-N 3.39Å |
| 217 | L | 87.8 | Confident | 88.1 | Confident | 48 Ų | 48 | 62 Ų | 62 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | trans | -84.1 | 64.4 | -178.9 | -61.4 | 174.6 | 0 | 0 | 0 | 111 | Q179 V214 M215 N219 L220 | Q179-L217 WeakPolarHBondContact O-CD1 3.48Å; V214-L217 WeakPolarHBondContact O-CB 3.46Å; V214-L217 PolarHBondContact O-N 3.26Å; M215-L217 VanDerWaalsContact C-N 3.34Å; L217-N219 PolarHBondContact O-N 3.32Å; L217-N219 VanDerWaalsContact O-N 3.08Å; L217-L220 HydrophobicContact CB-CD1 3.61Å; L217-L220 HydrophobicContact CB-CG 4.12Å; L217-L220 HydrophobicContact CD1-CD1 3.61Å; L217-L220 HydrophobicContact CG-CD1 4.27Å; L217-L220 WeakPolarHBondContact O-CB 3.35Å; L217-L220 PolarHBondContact O-N 2.96Å | ||
| 218 | Q | 75.4 | Confident | 87.8 | Confident | 151 Ų | 151 | 62.1 Ų | 62.1 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -54.7 | -33.6 | -175.6 | -67.6 | -179.1 | -10.2 | 0 | 0 | 113.4 | K216 L220 F221 V222 | K216-Q218 VanDerWaalsContact C-N 3.27Å; K216-Q218 PolarHBondContact O-N 3.39Å; Q218-L220 PolarHBondContact O-N 3.17Å; Q218-F221 PolarHBondContact O-N 3.18Å; Q218-F221 VanDerWaalsContact O-N 3.09Å; Q218-V222 WeakPolarHBondContact O-CG2 3.43Å |
| 219 | N | 76.6 | Confident | 87.6 | Confident | 134 Ų | 134 | 59.6 Ų | 59.6 | 72% | 0.717 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -62.2 | -21.1 | 179.2 | -63.3 | -12.2 | 0 | 0 | 0 | 113.8 | L217 F221 | L217-N219 PolarHBondContact O-N 3.32Å; L217-N219 VanDerWaalsContact O-N 3.08Å; N219-F221 PolarHBondContact O-N 2.98Å |
| 220 | L | 81.3 | Confident | 87.5 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -68.2 | -21.4 | 175.7 | -78.8 | 169.6 | 0 | 0 | 0 | 112.7 | M1 L6 L9 L217 Q218 G226 | M1-L220 HydrophobicContact CE-CD2 3.22Å; M1-L220 HydrophobicContact CE-CG 3.7Å; M1-L220 HydrophobicContact SD-CD2 3.87Å; L6-L220 HydrophobicContact CD2-CD2 3.67Å; L9-L220 HydrophobicContact CD1-CD2 4.41Å; L217-L220 HydrophobicContact CB-CD1 3.61Å; L217-L220 HydrophobicContact CB-CG 4.12Å; L217-L220 HydrophobicContact CD1-CD1 3.61Å; L217-L220 HydrophobicContact CG-CD1 4.27Å; L217-L220 WeakPolarHBondContact O-CB 3.35Å; L217-L220 PolarHBondContact O-N 2.96Å; Q218-L220 PolarHBondContact O-N 3.17Å; L220-G226 WeakPolarHBondContact O-CA 3.39Å |
| 221 | F | 84.1 | Confident | 87.4 | Confident | 43 Ų | 43 | 56.4 Ų | 56.4 | 19% | 0.189 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -118.7 | 8.5 | -164.8 | -53.9 | -54.8 | 0 | 0 | 0 | 114.9 | W183 V214 Q218 N219 A230 F233 | W183-F221 HydrophobicContact CZ3-CE1 4.49Å; V214-F221 HydrophobicContact CG1-CE2 4.47Å; V214-F221 HydrophobicContact CG1-CZ 3.97Å; Q218-F221 PolarHBondContact O-N 3.18Å; Q218-F221 VanDerWaalsContact O-N 3.09Å; N219-F221 PolarHBondContact O-N 2.98Å; F221-A230 HydrophobicContact CB-CB 4.28Å; F221-A230 HydrophobicContact CD1-CB 3.53Å; F221-A230 HydrophobicContact CE1-CB 4.08Å; F221-A230 HydrophobicContact CG-CB 4.07Å; F221-F233 HydrophobicContact CE1-CB 4.34Å; F221-F233 HydrophobicContact CE1-CD1 4.47Å; F221-F233 HydrophobicContact CE2-CD1 4.49Å; F221-F233 HydrophobicContact CZ-CB 4.38Å; F221-F233 AromaticContact CZ-CD1 3.76Å; F221-F233 HydrophobicContact CZ-CD1 3.76Å; F221-F233 HydrophobicContact CZ-CE1 4.36Å; F221-F233 HydrophobicContact CZ-CG 4.22Å |
| 222 | V | 75.8 | Confident | 87.3 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 59% | 0.588 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -81.4 | -44.4 | -171.2 | -178.5 | 0 | 0 | 0 | 0 | 113.3 | Q218 | Q218-V222 WeakPolarHBondContact O-CG2 3.43Š|
| 223 | D | 79.6 | Confident | 87.4 | Confident | 118 Ų | 118 | 52.1 Ų | 52.1 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -87 | 175.1 | -173.2 | -57.4 | -29.2 | 0 | 0 | 0 | 112.2 | S225 G226 R227 | D223-S225 VanDerWaalsContact C-N 3.3Å; D223-S225 PolarHBondContact O-N 3.17Å; D223-G226 CarbonylContact O-C 3.56Å; D223-G226 VanDerWaalsContact O-CA 3.23Å; D223-G226 WeakPolarHBondContact O-CA 3.32Å; D223-G226 PolarHBondContact O-N 3.13Å; D223-R227 PolarHBondContact O-N 3.03Å; D223-R227 VanDerWaalsContact O-N 3.09Å |
| 224 | D | 76.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 49.4 Ų | 49.4 | 39% | 0.385 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.6 | -42 | 179.2 | -73.9 | -19.3 | 0 | 0 | 0 | 112.3 | G226 R227 Y228 F301 | D224-G226 PolarHBondContact O-N 3.07Å; D224-R227 PolarHBondContact O-N 3.11Å; D224-R227 IonicContact OD1-CZ 2.64Å; D224-R227 IonicContact OD1-NH1 2.99Å; D224-Y228 VanDerWaalsContact O-CD2 3.3Å; D224-Y228 WeakPolarHBondContact O-CD2 3.29Å; D224-F301 HydrophobicContact CB-CD2 4.24Å; D224-F301 HydrophobicContact CB-CE2 4Å |
| 225 | S | 80.1 | Confident | 87.7 | Confident | 11 Ų | 11 | 49.4 Ų | 49.4 | 8% | 0.077 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.1 | -33.6 | 170.7 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | R10 D223 R227 L229 F301 | R10-S225 PolarHBondContact NH1-OG 2.64Å; D223-S225 VanDerWaalsContact C-N 3.3Å; D223-S225 PolarHBondContact O-N 3.17Å; S225-R227 VanDerWaalsContact C-N 3.29Å; S225-R227 PolarHBondContact O-N 2.74Å; S225-L229 PolarHBondContact O-N 2.82Å; S225-F301 VanDerWaalsContact CB-CD1 3.45Å |
| 226 | G | 85.9 | Confident | 87.9 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -29.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L220 D223 D224 A230 | L220-G226 WeakPolarHBondContact O-CA 3.39Å; D223-G226 CarbonylContact O-C 3.56Å; D223-G226 VanDerWaalsContact O-CA 3.23Å; D223-G226 WeakPolarHBondContact O-CA 3.32Å; D223-G226 PolarHBondContact O-N 3.13Å; D224-G226 PolarHBondContact O-N 3.07Å; G226-A230 VanDerWaalsContact O-CB 3.27Å; G226-A230 WeakPolarHBondContact O-CB 3.43Å; G226-A230 PolarHBondContact O-N 3.31Å |
| 227 | R | 89.3 | Confident | 88.2 | Confident | 95 Ų | 95 | 39 Ų | 39 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -45.7 | 175.9 | -64.3 | -178.1 | -176 | 163.4 | 5.6 | 112.6 | D223 D224 S225 A230 I231 I260 | D223-R227 PolarHBondContact O-N 3.03Å; D223-R227 VanDerWaalsContact O-N 3.09Å; D224-R227 PolarHBondContact O-N 3.11Å; D224-R227 IonicContact OD1-CZ 2.64Å; D224-R227 IonicContact OD1-NH1 2.99Å; S225-R227 VanDerWaalsContact C-N 3.29Å; S225-R227 PolarHBondContact O-N 2.74Å; R227-A230 WeakPolarHBondContact O-CB 3.47Å; R227-A230 PolarHBondContact O-N 3.28Å; R227-I231 WeakPolarHBondContact O-CG1 3.27Å; R227-I231 PolarHBondContact O-N 3.48Å; R227-I260 HydrophobicContact CB-CG2 4.09Å |
| 228 | Y | 91.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.4 | -69.2 | -82.4 | 0 | 0 | 0 | 111.4 | D224 A230 I231 Q232 L296 N298 F301 E342 | D224-Y228 VanDerWaalsContact O-CD2 3.3Å; D224-Y228 WeakPolarHBondContact O-CD2 3.29Å; Y228-A230 VanDerWaalsContact C-N 3.34Å; Y228-A230 PolarHBondContact O-N 2.99Å; Y228-I231 PolarHBondContact O-N 3.26Å; Y228-Q232 WeakPolarHBondContact O-CG 3.5Å; Y228-Q232 PolarHBondContact O-N 2.91Å; Y228-L296 HydrophobicContact CD1-CD2 4.19Å; Y228-L296 HydrophobicContact CD2-CD2 4.44Å; Y228-L296 HydrophobicContact CE1-CB 4.31Å; Y228-L296 HydrophobicContact CE1-CD2 3.71Å; Y228-L296 HydrophobicContact CE1-CG 4.41Å; Y228-L296 HydrophobicContact CE2-CD2 3.98Å; Y228-L296 PolarHBondContact OH-O 3.49Å; Y228-N298 PolarHBondContact OH-O 3.1Å; Y228-F301 HydrophobicContact CD2-CB 3.53Å; Y228-F301 HydrophobicContact CD2-CG 4.45Å; Y228-F301 HydrophobicContact CE2-CB 3.78Å; Y228-F301 HydrophobicContact CE2-CD2 4.35Å; Y228-F301 HydrophobicContact CG-CB 4.27Å; Y228-E342 HydrophobicContact CD1-CB 4.35Å; Y228-E342 HydrophobicContact CD1-CG 3.86Å; Y228-E342 WeakPolarHBondContact CD1-OE2 3.43Å |
| 229 | L | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.6 | -38.5 | 175.2 | -73.7 | 174 | 0 | 0 | 0 | 112.2 | L6 L9 R10 W183 S225 I231 Q232 F233 | L6-L229 HydrophobicContact CD2-CD1 3.73Å; L9-L229 HydrophobicContact CB-CD2 3.93Å; R10-L229 HydrophobicContact CG-CD1 4.5Å; R10-L229 HydrophobicContact CG-CD2 3.73Å; R10-L229 HydrophobicContact CG-CG 4.2Å; W183-L229 HydrophobicContact CH2-CB 4.07Å; W183-L229 HydrophobicContact CH2-CD2 3.91Å; W183-L229 VanDerWaalsContact CH2-O 3.24Å; W183-L229 WeakPolarHBondContact CH2-O 3.45Å; W183-L229 HydrophobicContact CZ3-CB 4.27Å; W183-L229 HydrophobicContact CZ3-CD2 4.25Å; S225-L229 PolarHBondContact O-N 2.82Å; L229-I231 VanDerWaalsContact C-N 3.35Å; L229-I231 PolarHBondContact O-N 3.33Å; L229-Q232 PolarHBondContact O-N 3.05Å; L229-F233 WeakPolarHBondContact O-CB 3.33Å; L229-F233 PolarHBondContact O-N 3.35Å |
| 230 | A | 94.4 | Very high | 90.7 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | F221 G226 R227 Y228 Q232 F233 H234 I260 | F221-A230 HydrophobicContact CB-CB 4.28Å; F221-A230 HydrophobicContact CD1-CB 3.53Å; F221-A230 HydrophobicContact CE1-CB 4.08Å; F221-A230 HydrophobicContact CG-CB 4.07Å; G226-A230 VanDerWaalsContact O-CB 3.27Å; G226-A230 WeakPolarHBondContact O-CB 3.43Å; G226-A230 PolarHBondContact O-N 3.31Å; R227-A230 WeakPolarHBondContact O-CB 3.47Å; R227-A230 PolarHBondContact O-N 3.28Å; Y228-A230 VanDerWaalsContact C-N 3.34Å; Y228-A230 PolarHBondContact O-N 2.99Å; A230-Q232 PolarHBondContact O-N 2.82Å; A230-F233 PolarHBondContact O-N 3.15Å; A230-H234 WeakPolarHBondContact O-CB 3.36Å; A230-H234 PolarHBondContact O-CD2 3.31Å; A230-H234 PolarHBondContact O-N 2.86Å; A230-I260 HydrophobicContact CB-CD1 3.9Å |
| 231 | I | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 175.9 | -67.4 | 164.6 | 0 | 0 | 0 | 110.5 | R227 Y228 L229 F233 H234 L235 A257 I260 L296 E342 I346 | R227-I231 WeakPolarHBondContact O-CG1 3.27Å; R227-I231 PolarHBondContact O-N 3.48Å; Y228-I231 PolarHBondContact O-N 3.26Å; L229-I231 VanDerWaalsContact C-N 3.35Å; L229-I231 PolarHBondContact O-N 3.33Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 2.97Å; I231-H234 PolarHBondContact O-N 2.87Å; I231-L235 HydrophobicContact CG2-CD1 3.81Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 WeakPolarHBondContact O-CB 3.41Å; I231-L235 VanDerWaalsContact O-CG 3.28Å; I231-L235 WeakPolarHBondContact O-CG 3.16Å; I231-L235 PolarHBondContact O-N 2.83Å; I231-A257 HydrophobicContact CG2-CB 4.32Å; I231-I260 HydrophobicContact CD1-CB 4.45Å; I231-I260 HydrophobicContact CD1-CG2 3.93Å; I231-I260 HydrophobicContact CG1-CB 4.01Å; I231-I260 HydrophobicContact CG1-CG2 3.74Å; I231-L296 HydrophobicContact CD1-CD1 4.09Å; I231-E342 HydrophobicContact CB-CB 4.38Å; I231-E342 HydrophobicContact CB-CG 4.48Å; I231-E342 HydrophobicContact CD1-CB 4.31Å; I231-E342 HydrophobicContact CG2-CB 3.85Å; I231-E342 HydrophobicContact CG2-CG 4.3Å; I231-I346 HydrophobicContact CD1-CD1 4.44Å; I231-I346 HydrophobicContact CG1-CD1 4.5Å; I231-I346 HydrophobicContact CG2-CD1 3.69Å; I231-I346 HydrophobicContact CG2-CG1 3.82Å |
| 232 | Q | 96.2 | Very high | 91.8 | Very high | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.028 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.5 | -45.6 | 179.3 | -68.8 | -177.2 | 19.6 | 0 | 0 | 111.8 | W183 Y228 L229 A230 L235 E236 E342 I430 C433 | W183-Q232 HydrophobicContact CZ2-CB 4.32Å; Y228-Q232 WeakPolarHBondContact O-CG 3.5Å; Y228-Q232 PolarHBondContact O-N 2.91Å; L229-Q232 PolarHBondContact O-N 3.05Å; A230-Q232 PolarHBondContact O-N 2.82Å; Q232-L235 PolarHBondContact O-N 2.79Å; Q232-E236 WeakPolarHBondContact O-CG 3.29Å; Q232-E236 PolarHBondContact O-N 2.75Å; Q232-E342 HydrophobicContact CG-CG 4.07Å; Q232-E342 PolarHBondContact NE2-OE1 3Å; Q232-I430 HydrophobicContact CG-CD1 4.2Å; Q232-C433 VanDerWaalsContact CA-SG 3.57Å; Q232-C433 PolarHBondContact O-SG 2.98Å |
| 233 | F | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 178.3 | 178.8 | -120.9 | 0 | 0 | 0 | 112 | W183 L186 I211 V214 M215 F221 L229 A230 I231 L235 E236 C237 | W183-F233 AromaticContact CD2-CD2 3.9Å; W183-F233 HydrophobicContact CD2-CD2 3.9Å; W183-F233 AromaticContact CE2-CD2 3.7Å; W183-F233 HydrophobicContact CE3-CD2 4.45Å; W183-F233 HydrophobicContact CG-CD2 4.2Å; W183-F233 HydrophobicContact CH2-CB 3.66Å; W183-F233 HydrophobicContact CZ2-CB 3.51Å; W183-F233 HydrophobicContact CZ2-CD2 4.17Å; W183-F233 HydrophobicContact CZ2-CG 4.29Å; W183-F233 HydrophobicContact CZ3-CB 4.21Å; W183-F233 AromaticContact NE1-CD2 3.78Å; L186-F233 HydrophobicContact CD2-CE2 4.15Å; I211-F233 HydrophobicContact CG2-CZ 4.24Å; V214-F233 HydrophobicContact CB-CD2 4.48Å; V214-F233 HydrophobicContact CB-CE1 4.07Å; V214-F233 HydrophobicContact CB-CE2 3.66Å; V214-F233 HydrophobicContact CB-CZ 3.43Å; V214-F233 VanDerWaalsContact CB-CZ 3.43Å; V214-F233 HydrophobicContact CG1-CD1 4.07Å; V214-F233 HydrophobicContact CG1-CD2 3.86Å; V214-F233 HydrophobicContact CG1-CE1 3.7Å; V214-F233 HydrophobicContact CG1-CE2 3.51Å; V214-F233 HydrophobicContact CG1-CG 4.15Å; V214-F233 HydrophobicContact CG1-CZ 3.44Å; V214-F233 VanDerWaalsContact CG1-CZ 3.44Å; V214-F233 HydrophobicContact CG2-CE2 4.07Å; V214-F233 HydrophobicContact CG2-CZ 4.29Å; M215-F233 HydrophobicContact CE-CD1 4.13Å; M215-F233 HydrophobicContact CE-CE1 3.37Å; M215-F233 HydrophobicContact CE-CZ 4.08Å; M215-F233 HydrophobicContact CG-CE1 3.95Å; M215-F233 HydrophobicContact CG-CZ 4.32Å; M215-F233 HydrophobicContact SD-CE1 3.69Å; F221-F233 HydrophobicContact CE1-CB 4.34Å; F221-F233 HydrophobicContact CE1-CD1 4.47Å; F221-F233 HydrophobicContact CE2-CD1 4.49Å; F221-F233 HydrophobicContact CZ-CB 4.38Å; F221-F233 AromaticContact CZ-CD1 3.76Å; F221-F233 HydrophobicContact CZ-CD1 3.76Å; F221-F233 HydrophobicContact CZ-CE1 4.36Å; F221-F233 HydrophobicContact CZ-CG 4.22Å; L229-F233 WeakPolarHBondContact O-CB 3.33Å; L229-F233 PolarHBondContact O-N 3.35Å; A230-F233 PolarHBondContact O-N 3.15Å; I231-F233 VanDerWaalsContact C-N 3.34Å; I231-F233 PolarHBondContact O-N 2.97Å; F233-L235 VanDerWaalsContact C-N 3.29Å; F233-L235 PolarHBondContact O-N 3.26Å; F233-E236 PolarHBondContact O-N 3.29Å; F233-C237 VanDerWaalsContact CE2-SG 3.5Å; F233-C237 WeakPolarHBondContact CZ-SG 3.45Å; F233-C237 PolarHBondContact O-N 3.33Å; F233-C237 PolarHBondContact O-SG 2.64Å |
| 234 | H | 97.9 | Very high | 93.3 | Very high | 17 Ų | 17 | 14.9 Ų | 14.9 | 8% | 0.079 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 178.4 | -74.5 | -60.9 | 0 | 0 | 0 | 112.2 | A230 I231 A238 Q253 I256 A257 | A230-H234 WeakPolarHBondContact O-CB 3.36Å; A230-H234 PolarHBondContact O-CD2 3.31Å; A230-H234 PolarHBondContact O-N 2.86Å; I231-H234 PolarHBondContact O-N 2.87Å; H234-A238 WeakPolarHBondContact O-CB 3.35Å; H234-A238 PolarHBondContact O-N 2.98Å; H234-Q253 PolarHBondContact ND1-OE1 3.17Å; H234-Q253 WeakPolarHBondContact O-CB 3.34Å; H234-I256 WeakPolarHBondContact NE2-CG2 3.38Å; H234-A257 HydrophobicContact CB-CB 4.08Å |
| 235 | L | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -65.1 | -47.7 | 173 | -71.2 | 170.9 | 0 | 0 | 0 | 111.8 | I231 Q232 F233 C237 A238 Y239 L254 A257 A345 I346 C433 | I231-L235 HydrophobicContact CG2-CD1 3.81Å; I231-L235 HydrophobicContact CG2-CG 4.32Å; I231-L235 WeakPolarHBondContact O-CB 3.41Å; I231-L235 VanDerWaalsContact O-CG 3.28Å; I231-L235 WeakPolarHBondContact O-CG 3.16Å; I231-L235 PolarHBondContact O-N 2.83Å; Q232-L235 PolarHBondContact O-N 2.79Å; F233-L235 VanDerWaalsContact C-N 3.29Å; F233-L235 PolarHBondContact O-N 3.26Å; L235-C237 VanDerWaalsContact C-N 3.33Å; L235-C237 PolarHBondContact O-N 3.34Å; L235-A238 WeakPolarHBondContact O-CB 3.36Å; L235-A238 PolarHBondContact O-N 3.39Å; L235-A238 VanDerWaalsContact O-N 3.15Å; L235-Y239 HydrophobicContact CB-CE2 4.34Å; L235-Y239 WeakPolarHBondContact O-CD2 3.38Å; L235-Y239 PolarHBondContact O-N 3Å; L235-L254 HydrophobicContact CD2-CD2 3.7Å; L235-A257 HydrophobicContact CG-CB 4.47Å; L235-A345 HydrophobicContact CD1-CB 3.68Å; L235-I346 HydrophobicContact CD1-CG1 4.17Å; L235-I346 HydrophobicContact CD2-CG1 4.23Å; L235-C433 HydrophobicContact CB-CB 4.23Å; L235-C433 HydrophobicContact CD1-CB 4.15Å |
| 236 | E | 97.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 4% | 0.042 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.6 | -45.3 | 175.5 | -73.1 | -179.5 | -142.1 | 0 | 0 | 111.4 | W183 R187 Q232 F233 A238 Y239 V240 Y432 | W183-E236 PolarHBondContact NE1-OE1 2.86Å; W183-E236 PolarHBondContact NE1-OE2 3.2Å; R187-E236 VanDerWaalsContact CG-OE2 3.29Å; R187-E236 WeakPolarHBondContact CG-OE2 3.33Å; R187-E236 IonicContact CZ-OE1 3.64Å; R187-E236 IonicContact NE-OE1 2.73Å; R187-E236 PolarHBondContact NE-OE1 3.31Å; R187-E236 VanDerWaalsContact NE-OE1 3.1Å; R187-E236 IonicContact NE-OE2 3.67Å; R187-E236 PolarHBondContact NE-OE2 3.2Å; R187-E236 VanDerWaalsContact NE-OE2 3.13Å; R187-E236 IonicContact NH2-OE1 3.78Å; R187-E236 PolarHBondContact NH2-OE1 3.5Å; Q232-E236 WeakPolarHBondContact O-CG 3.29Å; Q232-E236 PolarHBondContact O-N 2.75Å; F233-E236 PolarHBondContact O-N 3.29Å; E236-A238 PolarHBondContact O-N 3.33Å; E236-Y239 PolarHBondContact O-N 3.44Å; E236-V240 WeakPolarHBondContact O-CG2 3.34Å; E236-V240 PolarHBondContact O-N 3.25Å; E236-V240 VanDerWaalsContact O-N 3.12Å; E236-Y432 WeakPolarHBondContact OE1-CB 3.2Å |
| 237 | C | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 173.8 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | I211 F233 L235 Y239 V240 F241 Q253 | I211-C237 HydrophobicContact CD1-CB 4.24Å; F233-C237 VanDerWaalsContact CE2-SG 3.5Å; F233-C237 WeakPolarHBondContact CZ-SG 3.45Å; F233-C237 PolarHBondContact O-N 3.33Å; F233-C237 PolarHBondContact O-SG 2.64Å; L235-C237 VanDerWaalsContact C-N 3.33Å; L235-C237 PolarHBondContact O-N 3.34Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 3.07Å; C237-V240 PolarHBondContact O-N 3.05Å; C237-F241 HydrophobicContact CB-CD2 4.4Å; C237-F241 HydrophobicContact CB-CE2 4.12Å; C237-F241 WeakPolarHBondContact O-CD2 3.48Å; C237-F241 WeakPolarHBondContact O-CG 3.36Å; C237-F241 PolarHBondContact O-N 2.96Å; C237-Q253 HydrophobicContact CB-CG 3.97Å |
| 238 | A | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | H234 L235 E236 F241 L242 Q253 L254 | H234-A238 WeakPolarHBondContact O-CB 3.35Å; H234-A238 PolarHBondContact O-N 2.98Å; L235-A238 WeakPolarHBondContact O-CB 3.36Å; L235-A238 PolarHBondContact O-N 3.39Å; L235-A238 VanDerWaalsContact O-N 3.15Å; E236-A238 PolarHBondContact O-N 3.33Å; A238-F241 PolarHBondContact O-N 3.48Å; A238-L242 WeakPolarHBondContact O-CB 3.45Å; A238-L242 VanDerWaalsContact O-CG 3.3Å; A238-L242 WeakPolarHBondContact O-CG 3.39Å; A238-L242 PolarHBondContact O-N 3.44Å; A238-Q253 HydrophobicContact CB-CB 3.98Å; A238-L254 HydrophobicContact CB-CD1 4.33Å; A238-L254 HydrophobicContact CB-CD2 3.89Å; A238-L254 HydrophobicContact CB-CG 3.68Å |
| 239 | Y | 97.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 24 Ų | 24 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.8 | -39.3 | 178.4 | -67 | -60.1 | 0 | 0 | 0 | 113.4 | L235 E236 C237 F241 L242 Y243 G349 T352 C433 Q435 | L235-Y239 HydrophobicContact CB-CE2 4.34Å; L235-Y239 WeakPolarHBondContact O-CD2 3.38Å; L235-Y239 PolarHBondContact O-N 3Å; E236-Y239 PolarHBondContact O-N 3.44Å; C237-Y239 VanDerWaalsContact C-N 3.31Å; C237-Y239 PolarHBondContact O-N 3.07Å; Y239-F241 VanDerWaalsContact C-N 3.35Å; Y239-L242 HydrophobicContact CD1-CD1 4.32Å; Y239-L242 PolarHBondContact O-N 2.88Å; Y239-Y243 WeakPolarHBondContact O-CB 3.31Å; Y239-Y243 PolarHBondContact O-N 3.05Å; Y239-G349 VanDerWaalsContact OH-CA 3.3Å; Y239-G349 WeakPolarHBondContact OH-CA 3.26Å; Y239-G349 PolarHBondContact OH-N 3.49Å; Y239-T352 HydrophobicContact CD1-CG2 4.35Å; Y239-T352 HydrophobicContact CE1-CG2 4.05Å; Y239-C433 VanDerWaalsContact CE2-C 3.48Å; Y239-C433 WeakPolarHBondContact CE2-O 3.43Å; Y239-C433 PolarHBondContact OH-O 3.07Å; Y239-Q435 HydrophobicContact CD1-CG 3.26Å; Y239-Q435 HydrophobicContact CD2-CG 3.86Å; Y239-Q435 HydrophobicContact CE1-CB 4.43Å; Y239-Q435 HydrophobicContact CE1-CG 3.54Å; Y239-Q435 HydrophobicContact CE2-CG 4.15Å; Y239-Q435 HydrophobicContact CG-CG 3.41Å; Y239-Q435 VanDerWaalsContact CG-CG 3.41Å |
| 240 | V | 96.8 | Very high | 94.8 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -58 | -50.5 | 173 | 170.6 | 0 | 0 | 0 | 0 | 109.7 | L186 N190 A207 I211 E236 C237 L242 Y243 Y244 | L186-V240 HydrophobicContact CD1-CG2 4.2Å; N190-V240 HydrophobicContact CB-CG2 4.48Å; A207-V240 HydrophobicContact CB-CG1 3.99Å; I211-V240 HydrophobicContact CD1-CG1 4.44Å; E236-V240 WeakPolarHBondContact O-CG2 3.34Å; E236-V240 PolarHBondContact O-N 3.25Å; E236-V240 VanDerWaalsContact O-N 3.12Å; C237-V240 PolarHBondContact O-N 3.05Å; V240-L242 PolarHBondContact O-N 3.16Å; V240-Y243 WeakPolarHBondContact O-CB 3.41Å; V240-Y243 PolarHBondContact O-N 3.11Å; V240-Y243 VanDerWaalsContact O-N 3.16Å; V240-Y244 HydrophobicContact CG1-CD2 4.02Å; V240-Y244 HydrophobicContact CG1-CE2 4.19Å; V240-Y244 VanDerWaalsContact O-CD2 3.27Å; V240-Y244 WeakPolarHBondContact O-CD2 3.49Å; V240-Y244 PolarHBondContact O-N 3.48Å; V240-Y244 VanDerWaalsContact O-N 3.12Å |
| 241 | F | 95.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.053 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -41.6 | 178.7 | -68.4 | -45.5 | 0 | 0 | 0 | 112.8 | F204 E208 I211 C237 A238 Y239 Y243 Y244 Y245 E246 K249 A250 Q253 | F204-F241 HydrophobicContact CE2-CD1 4.24Å; F204-F241 HydrophobicContact CE2-CE1 4.44Å; F204-F241 HydrophobicContact CZ-CD1 4.49Å; E208-F241 HydrophobicContact CG-CE1 4.39Å; I211-F241 HydrophobicContact CD1-CE1 4.16Å; I211-F241 HydrophobicContact CD1-CE2 4.17Å; I211-F241 HydrophobicContact CD1-CZ 3.72Å; I211-F241 HydrophobicContact CG2-CZ 4.41Å; C237-F241 HydrophobicContact CB-CD2 4.4Å; C237-F241 HydrophobicContact CB-CE2 4.12Å; C237-F241 WeakPolarHBondContact O-CD2 3.48Å; C237-F241 WeakPolarHBondContact O-CG 3.36Å; C237-F241 PolarHBondContact O-N 2.96Å; A238-F241 PolarHBondContact O-N 3.48Å; Y239-F241 VanDerWaalsContact C-N 3.35Å; F241-Y243 VanDerWaalsContact C-N 3.29Å; F241-Y243 PolarHBondContact O-N 3.45Å; F241-Y244 CarbonylContact O-C 3.37Å; F241-Y244 PolarHBondContact O-N 2.93Å; F241-Y245 PolarHBondContact O-N 3.32Å; F241-Y245 VanDerWaalsContact O-N 3.16Å; F241-E246 HydrophobicContact CB-CB 3.8Å; F241-E246 HydrophobicContact CD1-CB 3.85Å; F241-E246 HydrophobicContact CD1-CG 4.29Å; F241-E246 HydrophobicContact CG-CB 4.15Å; F241-E246 PolarHBondContact O-N 3.2Å; F241-K249 HydrophobicContact CB-CB 4.27Å; F241-K249 HydrophobicContact CD1-CB 4.1Å; F241-K249 HydrophobicContact CD1-CD 3.91Å; F241-K249 HydrophobicContact CD2-CB 3.72Å; F241-K249 HydrophobicContact CE1-CB 4.39Å; F241-K249 HydrophobicContact CE1-CD 3.69Å; F241-K249 HydrophobicContact CE2-CB 4.03Å; F241-K249 HydrophobicContact CG-CB 3.77Å; F241-K249 HydrophobicContact CG-CD 4.45Å; F241-K249 HydrophobicContact CZ-CB 4.36Å; F241-K249 HydrophobicContact CZ-CD 4.04Å; F241-A250 HydrophobicContact CB-CB 3.82Å; F241-Q253 HydrophobicContact CD2-CG 3.91Å; F241-Q253 HydrophobicContact CE2-CG 3.87Å |
| 242 | L | 93.3 | Very high | 94.9 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -40 | 173.9 | -74.6 | 175.4 | 0 | 0 | 0 | 112.1 | A238 Y239 V240 Y245 Y247 A250 T352 N353 K356 | A238-L242 WeakPolarHBondContact O-CB 3.45Å; A238-L242 VanDerWaalsContact O-CG 3.3Å; A238-L242 WeakPolarHBondContact O-CG 3.39Å; A238-L242 PolarHBondContact O-N 3.44Å; Y239-L242 HydrophobicContact CD1-CD1 4.32Å; Y239-L242 PolarHBondContact O-N 2.88Å; V240-L242 PolarHBondContact O-N 3.16Å; L242-Y245 PolarHBondContact O-N 2.93Å; L242-Y247 HydrophobicContact CD2-CD1 3.92Å; L242-Y247 HydrophobicContact CD2-CE1 4.47Å; L242-A250 HydrophobicContact CD2-CB 3.65Å; L242-A250 HydrophobicContact CG-CB 3.63Å; L242-T352 HydrophobicContact CD1-CG2 4.18Å; L242-N353 HydrophobicContact CD1-CB 4.19Å; L242-N353 HydrophobicContact CD2-CB 4.43Å; L242-K356 HydrophobicContact CD2-CB 4.34Å |
| 243 | Y | 93 | Very high | 94.9 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 179.5 | -173.7 | -92.8 | 0 | 0 | 0 | 111.3 | Q193 R199 Y239 V240 F241 Y245 | Q193-Y243 HydrophobicContact CG-CD1 3.89Å; Q193-Y243 HydrophobicContact CG-CE1 3.21Å; Q193-Y243 PolarHBondContact NE2-OH 3.41Å; Q193-Y243 VanDerWaalsContact NE2-OH 3.08Å; R199-Y243 HydrophobicContact CB-CE1 4.47Å; R199-Y243 HydrophobicContact CG-CD1 4.1Å; R199-Y243 HydrophobicContact CG-CE1 3.51Å; R199-Y243 PolarHBondContact NE-O 3.01Å; R199-Y243 PolarHBondContact NH2-O 3.26Å; Y239-Y243 WeakPolarHBondContact O-CB 3.31Å; Y239-Y243 PolarHBondContact O-N 3.05Å; V240-Y243 WeakPolarHBondContact O-CB 3.41Å; V240-Y243 PolarHBondContact O-N 3.11Å; V240-Y243 VanDerWaalsContact O-N 3.16Å; F241-Y243 VanDerWaalsContact C-N 3.29Å; F241-Y243 PolarHBondContact O-N 3.45Å; Y243-Y245 VanDerWaalsContact C-N 3.34Å; Y243-Y245 PolarHBondContact O-N 3.24Å |
| 244 | Y | 92.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 18.3 | -178.6 | -68.4 | -76.1 | 0 | 0 | 0 | 115.1 | Q193 R199 L203 F204 V240 F241 E246 M559 | Q193-Y244 HydrophobicContact CG-CE2 4.46Å; Q193-Y244 WeakPolarHBondContact CG-OH 3.49Å; Q193-Y244 PolarHBondContact OE1-OH 3.07Å; R199-Y244 HydrophobicContact CB-CD1 4.14Å; R199-Y244 HydrophobicContact CB-CE1 4.02Å; R199-Y244 HydrophobicContact CG-CD1 4.14Å; R199-Y244 HydrophobicContact CG-CE1 4.27Å; L203-Y244 WeakPolarHBondContact CB-OH 3.44Å; F204-Y244 HydrophobicContact CB-CD1 3.76Å; F204-Y244 HydrophobicContact CB-CD2 4.23Å; F204-Y244 HydrophobicContact CB-CE1 3.57Å; F204-Y244 HydrophobicContact CB-CE2 4.08Å; F204-Y244 HydrophobicContact CB-CG 4.06Å; F204-Y244 HydrophobicContact CD1-CG 4.49Å; F204-Y244 AromaticContact CD2-CD1 3.96Å; F204-Y244 HydrophobicContact CD2-CD1 3.96Å; F204-Y244 AromaticContact CD2-CD2 3.22Å; F204-Y244 HydrophobicContact CD2-CD2 3.22Å; F204-Y244 HydrophobicContact CD2-CE1 4.36Å; F204-Y244 AromaticContact CD2-CE2 3.71Å; F204-Y244 HydrophobicContact CD2-CE2 3.71Å; F204-Y244 AromaticContact CD2-CG 3.33Å; F204-Y244 HydrophobicContact CD2-CG 3.33Å; F204-Y244 AromaticContact CE2-CD2 3.85Å; F204-Y244 HydrophobicContact CE2-CD2 3.85Å; F204-Y244 AromaticContact CE2-CG 3.91Å; F204-Y244 HydrophobicContact CE2-CG 3.91Å; F204-Y244 AromaticContact CG-CD1 3.84Å; F204-Y244 HydrophobicContact CG-CD1 3.84Å; F204-Y244 AromaticContact CG-CD2 3.96Å; F204-Y244 HydrophobicContact CG-CD2 3.96Å; F204-Y244 HydrophobicContact CG-CE1 4.15Å; F204-Y244 HydrophobicContact CG-CE2 4.27Å; F204-Y244 AromaticContact CG-CG 3.7Å; F204-Y244 HydrophobicContact CG-CG 3.7Å; F204-Y244 PolarHBondContact N-OH 3.03Å; V240-Y244 HydrophobicContact CG1-CD2 4.02Å; V240-Y244 HydrophobicContact CG1-CE2 4.19Å; V240-Y244 VanDerWaalsContact O-CD2 3.27Å; V240-Y244 WeakPolarHBondContact O-CD2 3.49Å; V240-Y244 PolarHBondContact O-N 3.48Å; V240-Y244 VanDerWaalsContact O-N 3.12Å; F241-Y244 CarbonylContact O-C 3.37Å; F241-Y244 PolarHBondContact O-N 2.93Å; Y244-E246 VanDerWaalsContact C-N 3.28Å; Y244-E246 PolarHBondContact O-N 3.14Å; Y244-M559 HydrophobicContact CD1-CE 3.57Å; Y244-M559 HydrophobicContact CD1-SD 3.89Å; Y244-M559 HydrophobicContact CE1-CE 4.49Å; Y244-M559 HydrophobicContact CE1-SD 4.25Å; Y244-M559 HydrophobicContact CG-CE 4.31Å |
| 245 | Y | 90.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 37.3 Ų | 37.3 | 13% | 0.125 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 18.6 | 176.8 | -43.6 | -71.6 | 0 | 0 | 0 | 116.4 | R199 F241 L242 Y243 Y247 L590 | R199-Y245 VanDerWaalsContact CD-CE2 3.47Å; R199-Y245 VanDerWaalsContact NE-CE2 3.29Å; R199-Y245 PolarHBondContact NH1-OH 3.31Å; R199-Y245 PolarHBondContact NH2-OH 3.42Å; F241-Y245 PolarHBondContact O-N 3.32Å; F241-Y245 VanDerWaalsContact O-N 3.16Å; L242-Y245 PolarHBondContact O-N 2.93Å; Y243-Y245 VanDerWaalsContact C-N 3.34Å; Y243-Y245 PolarHBondContact O-N 3.24Å; Y245-Y247 HydrophobicContact CD1-CE2 4.4Å; Y245-Y247 WeakPolarHBondContact CD1-OH 3.3Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.41Å; Y245-Y247 PolarHBondContact O-N 2.99Å; Y245-Y247 VanDerWaalsContact O-N 3.08Å; Y245-L590 WeakPolarHBondContact CB-O 3.35Å; Y245-L590 HydrophobicContact CD2-CB 4.3Å; Y245-L590 HydrophobicContact CD2-CD2 4.29Å |
| 246 | E | 91.7 | Very high | 94.8 | Very high | 67 Ų | 67 | 40.3 Ų | 40.3 | 31% | 0.313 | 18% | 0.18 | S | C | . | . | trans | -86.9 | 58.7 | 174.9 | -72.5 | -71.4 | 171.4 | 0 | 0 | 111.2 | F204 F241 Y244 R248 K249 A250 | F204-E246 HydrophobicContact CE1-CG 4.45Å; F204-E246 HydrophobicContact CZ-CG 3.78Å; F241-E246 HydrophobicContact CB-CB 3.8Å; F241-E246 HydrophobicContact CD1-CB 3.85Å; F241-E246 HydrophobicContact CD1-CG 4.29Å; F241-E246 HydrophobicContact CG-CB 4.15Å; F241-E246 PolarHBondContact O-N 3.2Å; Y244-E246 VanDerWaalsContact C-N 3.28Å; Y244-E246 PolarHBondContact O-N 3.14Å; E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 2.97Å; E246-K249 HydrophobicContact CB-CB 4.26Å; E246-K249 HydrophobicContact CB-CD 4.16Å; E246-K249 HydrophobicContact CB-CG 4.43Å; E246-K249 HydrophobicContact CG-CD 4.28Å; E246-K249 PolarHBondContact O-N 2.81Å; E246-K249 IonicContact OE1-NZ 3.88Å; E246-K249 WeakPolarHBondContact OE2-CE 3.35Å; E246-K249 IonicContact OE2-NZ 3.25Å; E246-A250 PolarHBondContact O-N 3.44Å | ||
| 247 | Y | 88.4 | Confident | 94.7 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 9% | 0.09 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.8 | -34.7 | -170.8 | -59 | -65.1 | 0 | 0 | 0 | 114.3 | L242 Y245 K251 K356 N357 E591 | L242-Y247 HydrophobicContact CD2-CD1 3.92Å; L242-Y247 HydrophobicContact CD2-CE1 4.47Å; Y245-Y247 HydrophobicContact CD1-CE2 4.4Å; Y245-Y247 WeakPolarHBondContact CD1-OH 3.3Å; Y245-Y247 WeakPolarHBondContact O-CD2 3.41Å; Y245-Y247 PolarHBondContact O-N 2.99Å; Y245-Y247 VanDerWaalsContact O-N 3.08Å; Y247-K251 WeakPolarHBondContact O-CB 3.34Å; Y247-K251 PolarHBondContact O-N 3.31Å; Y247-K356 HydrophobicContact CE1-CB 4.17Å; Y247-N357 WeakPolarHBondContact CB-OD1 3.46Å; Y247-N357 WeakPolarHBondContact CD1-OD1 3.38Å; Y247-E591 HydrophobicContact CE2-CG 4.29Å |
| 248 | R | 89.6 | Confident | 94.6 | Very high | 185 Ų | 185 | 42.4 Ų | 42.4 | 70% | 0.698 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.9 | -50.8 | 177.3 | -66.2 | -177.8 | -174.7 | 172.5 | 2.8 | 111.3 | E246 A250 K251 D252 | E246-R248 VanDerWaalsContact C-N 3.28Å; E246-R248 PolarHBondContact O-N 2.97Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.37Å; R248-K251 PolarHBondContact O-N 3.43Å; R248-D252 VanDerWaalsContact O-CG 3.29Å; R248-D252 PolarHBondContact O-N 3.21Å |
| 249 | K | 94 | Very high | 94.4 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.1 | -44.4 | 176 | -63.5 | -178.1 | -176.5 | 163.6 | 0 | 110.3 | E208 F241 E246 K251 D252 Q253 | E208-K249 IonicContact OE1-NZ 2.79Å; E208-K249 PolarHBondContact OE1-NZ 3.12Å; F241-K249 HydrophobicContact CB-CB 4.27Å; F241-K249 HydrophobicContact CD1-CB 4.1Å; F241-K249 HydrophobicContact CD1-CD 3.91Å; F241-K249 HydrophobicContact CD2-CB 3.72Å; F241-K249 HydrophobicContact CE1-CB 4.39Å; F241-K249 HydrophobicContact CE1-CD 3.69Å; F241-K249 HydrophobicContact CE2-CB 4.03Å; F241-K249 HydrophobicContact CG-CB 3.77Å; F241-K249 HydrophobicContact CG-CD 4.45Å; F241-K249 HydrophobicContact CZ-CB 4.36Å; F241-K249 HydrophobicContact CZ-CD 4.04Å; E246-K249 HydrophobicContact CB-CB 4.26Å; E246-K249 HydrophobicContact CB-CD 4.16Å; E246-K249 HydrophobicContact CB-CG 4.43Å; E246-K249 HydrophobicContact CG-CD 4.28Å; E246-K249 PolarHBondContact O-N 2.81Å; E246-K249 IonicContact OE1-NZ 3.88Å; E246-K249 WeakPolarHBondContact OE2-CE 3.35Å; E246-K249 IonicContact OE2-NZ 3.25Å; K249-K251 PolarHBondContact O-N 3.34Å; K249-D252 PolarHBondContact O-N 3.42Å; K249-Q253 WeakPolarHBondContact O-CG 3.48Å; K249-Q253 PolarHBondContact O-N 3.27Å |
| 250 | A | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.5 | -48.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F241 L242 E246 R248 D252 Q253 L254 | F241-A250 HydrophobicContact CB-CB 3.82Å; L242-A250 HydrophobicContact CD2-CB 3.65Å; L242-A250 HydrophobicContact CG-CB 3.63Å; E246-A250 PolarHBondContact O-N 3.44Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 3.37Å; A250-D252 VanDerWaalsContact C-N 3.31Å; A250-D252 PolarHBondContact O-N 3.3Å; A250-Q253 PolarHBondContact O-N 3.01Å; A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.24Å |
| 251 | K | 94.8 | Very high | 93.9 | Very high | 118 Ų | 118 | 49.5 Ų | 49.5 | 51% | 0.513 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.5 | -41.2 | 177.5 | -175.1 | 177.1 | -179 | 176.6 | 0 | 111.7 | Y247 R248 K249 L254 N255 | Y247-K251 WeakPolarHBondContact O-CB 3.34Å; Y247-K251 PolarHBondContact O-N 3.31Å; R248-K251 PolarHBondContact O-N 3.43Å; K249-K251 PolarHBondContact O-N 3.34Å; K251-L254 PolarHBondContact O-N 3Å; K251-N255 WeakPolarHBondContact O-CB 3.47Å; K251-N255 PolarHBondContact O-N 3.02Å; K251-N255 PolarHBondContact O-ND2 3.41Å |
| 252 | D | 96.2 | Very high | 93.7 | Very high | 92 Ų | 92 | 52.8 Ų | 52.8 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -45 | 177.4 | -65.3 | -22.9 | 0 | 0 | 0 | 111.3 | R248 K249 A250 L254 N255 I256 | R248-D252 VanDerWaalsContact O-CG 3.29Å; R248-D252 PolarHBondContact O-N 3.21Å; K249-D252 PolarHBondContact O-N 3.42Å; A250-D252 VanDerWaalsContact C-N 3.31Å; A250-D252 PolarHBondContact O-N 3.3Å; D252-L254 PolarHBondContact O-N 3.5Å; D252-N255 PolarHBondContact O-N 3.46Å; D252-I256 VanDerWaalsContact O-CG1 3.29Å; D252-I256 WeakPolarHBondContact O-CG1 3.29Å; D252-I256 PolarHBondContact O-N 2.88Å |
| 253 | Q | 97.6 | Very high | 93.6 | Very high | 25 Ų | 25 | 52.4 Ų | 52.4 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -42.7 | 175.7 | -62.5 | -51 | -54.5 | 0 | 0 | 112.1 | M215 H234 C237 A238 F241 K249 A250 I256 A257 | M215-Q253 VanDerWaalsContact CE-OE1 3.22Å; H234-Q253 PolarHBondContact ND1-OE1 3.17Å; H234-Q253 WeakPolarHBondContact O-CB 3.34Å; C237-Q253 HydrophobicContact CB-CG 3.97Å; A238-Q253 HydrophobicContact CB-CB 3.98Å; F241-Q253 HydrophobicContact CD2-CG 3.91Å; F241-Q253 HydrophobicContact CE2-CG 3.87Å; K249-Q253 WeakPolarHBondContact O-CG 3.48Å; K249-Q253 PolarHBondContact O-N 3.27Å; A250-Q253 PolarHBondContact O-N 3.01Å; Q253-I256 PolarHBondContact O-N 3.29Å; Q253-A257 PolarHBondContact O-N 2.94Å |
| 254 | L | 97.2 | Very high | 93.6 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.026 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.1 | -39 | 176.9 | -72.5 | 168.3 | 0 | 0 | 0 | 112.7 | L235 A238 A250 K251 D252 I256 A257 K258 N353 | L235-L254 HydrophobicContact CD2-CD2 3.7Å; A238-L254 HydrophobicContact CB-CD1 4.33Å; A238-L254 HydrophobicContact CB-CD2 3.89Å; A238-L254 HydrophobicContact CB-CG 3.68Å; A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.24Å; K251-L254 PolarHBondContact O-N 3Å; D252-L254 PolarHBondContact O-N 3.5Å; L254-I256 VanDerWaalsContact C-N 3.32Å; L254-A257 PolarHBondContact O-N 2.96Å; L254-K258 WeakPolarHBondContact O-CB 3.33Å; L254-K258 PolarHBondContact O-N 3.28Å; L254-N353 HydrophobicContact CD1-CB 3.36Å |
| 255 | N | 96.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -39 | 175.1 | -71.1 | -29.4 | 0 | 0 | 0 | 111.2 | K251 D252 K258 N259 | K251-N255 WeakPolarHBondContact O-CB 3.47Å; K251-N255 PolarHBondContact O-N 3.02Å; K251-N255 PolarHBondContact O-ND2 3.41Å; D252-N255 PolarHBondContact O-N 3.46Å; N255-K258 PolarHBondContact O-N 3.47Å; N255-N259 WeakPolarHBondContact O-CB 3.42Å; N255-N259 PolarHBondContact O-N 3.24Å; N255-N259 PolarHBondContact O-ND2 2.9Å; N255-N259 PolarHBondContact O-OD1 3.31Å |
| 256 | I | 96.1 | Very high | 93.8 | Very high | 63 Ų | 63 | 56 Ų | 56 | 32% | 0.323 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.9 | -49.4 | 174.6 | -64.7 | 162.7 | 0 | 0 | 0 | 110.1 | H234 D252 Q253 L254 K258 N259 I260 | H234-I256 WeakPolarHBondContact NE2-CG2 3.38Å; D252-I256 VanDerWaalsContact O-CG1 3.29Å; D252-I256 WeakPolarHBondContact O-CG1 3.29Å; D252-I256 PolarHBondContact O-N 2.88Å; Q253-I256 PolarHBondContact O-N 3.29Å; L254-I256 VanDerWaalsContact C-N 3.32Å; I256-K258 PolarHBondContact O-N 2.94Å; I256-N259 PolarHBondContact O-N 3.32Å; I256-I260 HydrophobicContact CG2-CD1 3.77Å; I256-I260 HydrophobicContact CG2-CG1 4.36Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.45Å; I256-I260 PolarHBondContact O-N 2.84Å |
| 257 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I231 H234 L235 Q253 L254 N259 I260 S261 I346 | I231-A257 HydrophobicContact CG2-CB 4.32Å; H234-A257 HydrophobicContact CB-CB 4.08Å; L235-A257 HydrophobicContact CG-CB 4.47Å; Q253-A257 PolarHBondContact O-N 2.94Å; L254-A257 PolarHBondContact O-N 2.96Å; A257-N259 PolarHBondContact O-N 3.37Å; A257-I260 PolarHBondContact O-N 2.96Å; A257-S261 PolarHBondContact O-N 3.36Å; A257-S261 PolarHBondContact O-OG 2.93Å; A257-I346 HydrophobicContact CB-CD1 4.31Å; A257-I346 HydrophobicContact CB-CG1 4.17Å; A257-I346 WeakPolarHBondContact O-CD1 3.33Å |
| 258 | K | 95.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.9 Ų | 56.9 | 23% | 0.226 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 175.4 | -174.1 | -179.4 | 176.4 | 179.1 | 0 | 111.5 | L254 N255 I256 S261 Q262 L263 I346 I350 | L254-K258 WeakPolarHBondContact O-CB 3.33Å; L254-K258 PolarHBondContact O-N 3.28Å; N255-K258 PolarHBondContact O-N 3.47Å; I256-K258 PolarHBondContact O-N 2.94Å; K258-S261 PolarHBondContact O-N 3.08Å; K258-S261 PolarHBondContact O-OG 3.12Å; K258-Q262 PolarHBondContact O-N 2.93Å; K258-L263 WeakPolarHBondContact CE-O 3.49Å; K258-L263 VanDerWaalsContact CG-O 3.23Å; K258-L263 WeakPolarHBondContact CG-O 3.36Å; K258-I346 HydrophobicContact CB-CG2 4.46Å; K258-I350 HydrophobicContact CD-CD1 4.25Å |
| 259 | N | 93.6 | Very high | 94.3 | Very high | 116 Ų | 116 | 50.3 Ų | 50.3 | 62% | 0.62 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -65.5 | -39.1 | 179.7 | -69 | -18.8 | 0 | 0 | 0 | 112.6 | N255 I256 A257 S261 Q262 | N255-N259 WeakPolarHBondContact O-CB 3.42Å; N255-N259 PolarHBondContact O-N 3.24Å; N255-N259 PolarHBondContact O-ND2 2.9Å; N255-N259 PolarHBondContact O-OD1 3.31Å; I256-N259 PolarHBondContact O-N 3.32Å; A257-N259 PolarHBondContact O-N 3.37Å; N259-S261 VanDerWaalsContact C-N 3.31Å; N259-Q262 PolarHBondContact O-N 3.26Å |
| 260 | I | 92.3 | Very high | 94.2 | Very high | 42 Ų | 42 | 47.2 Ų | 47.2 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -41 | 175.6 | -65.2 | 164.2 | 0 | 0 | 0 | 110.3 | R227 A230 I231 I256 A257 Q262 | R227-I260 HydrophobicContact CB-CG2 4.09Å; A230-I260 HydrophobicContact CB-CD1 3.9Å; I231-I260 HydrophobicContact CD1-CB 4.45Å; I231-I260 HydrophobicContact CD1-CG2 3.93Å; I231-I260 HydrophobicContact CG1-CB 4.01Å; I231-I260 HydrophobicContact CG1-CG2 3.74Å; I256-I260 HydrophobicContact CG2-CD1 3.77Å; I256-I260 HydrophobicContact CG2-CG1 4.36Å; I256-I260 VanDerWaalsContact O-CG1 3.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.45Å; I256-I260 PolarHBondContact O-N 2.84Å; A257-I260 PolarHBondContact O-N 2.96Å; I260-Q262 VanDerWaalsContact C-N 3.31Å; I260-Q262 PolarHBondContact O-N 3.29Å |
| 261 | S | 91.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.007 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.3 | -14.8 | 178.9 | 68.7 | 0 | 0 | 0 | 0 | 115.1 | A257 K258 N259 L263 I346 | A257-S261 PolarHBondContact O-N 3.36Å; A257-S261 PolarHBondContact O-OG 2.93Å; K258-S261 PolarHBondContact O-N 3.08Å; K258-S261 PolarHBondContact O-OG 3.12Å; N259-S261 VanDerWaalsContact C-N 3.31Å; S261-L263 PolarHBondContact O-N 3.5Å; S261-L263 VanDerWaalsContact OG-CB 3.27Å; S261-L263 WeakPolarHBondContact OG-CB 3.32Å; S261-L263 PolarHBondContact OG-N 2.83Å; S261-I346 VanDerWaalsContact CB-CD1 3.49Å; S261-I346 VanDerWaalsContact OG-CD1 3.29Å; S261-I346 WeakPolarHBondContact OG-CD1 3.48Å |
| 262 | Q | 91.4 | Very high | 94.1 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 38% | 0.379 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 32.9 | -171.9 | -56.9 | -171.1 | -6 | 0 | 0 | 113.2 | K258 N259 I260 E292 V295 | K258-Q262 PolarHBondContact O-N 2.93Å; N259-Q262 PolarHBondContact O-N 3.26Å; I260-Q262 VanDerWaalsContact C-N 3.31Å; I260-Q262 PolarHBondContact O-N 3.29Å; Q262-E292 HydrophobicContact CB-CB 4.39Å; Q262-E292 WeakPolarHBondContact CB-O 3.46Å; Q262-E292 PolarHBondContact O-N 2.72Å; Q262-E292 PolarHBondContact OE1-O 3.23Å; Q262-V295 HydrophobicContact CG-CG2 4.47Å |
| 263 | L | 91.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119.9 | -178.9 | -165.2 | 67.5 | 0 | 0 | 0 | 110 | K258 S261 I265 V289 L339 E343 I347 | K258-L263 WeakPolarHBondContact CE-O 3.49Å; K258-L263 VanDerWaalsContact CG-O 3.23Å; K258-L263 WeakPolarHBondContact CG-O 3.36Å; S261-L263 PolarHBondContact O-N 3.5Å; S261-L263 VanDerWaalsContact OG-CB 3.27Å; S261-L263 WeakPolarHBondContact OG-CB 3.32Å; S261-L263 PolarHBondContact OG-N 2.83Å; L263-I265 HydrophobicContact CD2-CD1 3.74Å; L263-I265 HydrophobicContact CD2-CG1 3.98Å; L263-I265 HydrophobicContact CG-CD1 4.16Å; L263-I265 HydrophobicContact CG-CG1 3.93Å; L263-V289 HydrophobicContact CD1-CG1 3.6Å; L263-V289 HydrophobicContact CD2-CG1 4.3Å; L263-V289 HydrophobicContact CG-CG1 4.03Å; L263-L339 HydrophobicContact CD1-CD2 3.95Å; L263-E343 HydrophobicContact CD2-CB 4.03Å; L263-E343 HydrophobicContact CD2-CG 4.28Å; L263-I347 HydrophobicContact CD2-CD1 4.41Å; L263-I347 HydrophobicContact CD2-CG1 4.22Å |
| 264 | Q | 92.5 | Very high | 93.5 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 131.4 | 167.3 | -71.7 | -174.6 | -10.9 | 0 | 0 | 109.4 | V289 R290 E292 | Q264-V289 WeakPolarHBondContact O-CA 3.24Å; Q264-R290 HydrophobicContact CB-CB 4.39Å; Q264-R290 PolarHBondContact N-O 3.23Å; Q264-R290 PolarHBondContact O-N 2.96Å; Q264-E292 HydrophobicContact CG-CG 4.3Å; Q264-E292 PolarHBondContact NE2-OE1 3.47Å; Q264-E292 PolarHBondContact NE2-OE2 3.27Å |
| 265 | I | 94.3 | Very high | 93.2 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 7% | 0.067 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 108 | -176.3 | -60.8 | 164.8 | 0 | 0 | 0 | 105.7 | L263 L287 V289 I346 I347 I350 F371 | L263-I265 HydrophobicContact CD2-CD1 3.74Å; L263-I265 HydrophobicContact CD2-CG1 3.98Å; L263-I265 HydrophobicContact CG-CD1 4.16Å; L263-I265 HydrophobicContact CG-CG1 3.93Å; I265-L287 HydrophobicContact CG2-CD1 3.63Å; I265-L287 HydrophobicContact CG2-CD2 3.66Å; I265-L287 HydrophobicContact CG2-CG 3.72Å; I265-V289 HydrophobicContact CG1-CG1 4.46Å; I265-I346 HydrophobicContact CD1-CG2 4.06Å; I265-I347 HydrophobicContact CD1-CG1 3.64Å; I265-I347 HydrophobicContact CG1-CG1 4.25Å; I265-I350 HydrophobicContact CD1-CD1 3.53Å; I265-F371 HydrophobicContact CG2-CE1 4.26Å |
| 266 | D | 93.6 | Very high | 92.8 | Very high | 85 Ų | 85 | 50.7 Ų | 50.7 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 135.1 | -176.6 | -65 | -45.5 | 0 | 0 | 0 | 110.7 | D288 | D266-D288 PolarHBondContact N-O 3.3Å; D266-D288 PolarHBondContact O-N 2.92Å |
| 267 | L | 93.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 55.3 Ų | 55.3 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 119.6 | 172.2 | -173.8 | 77.6 | 0 | 0 | 0 | 108.7 | L285 E367 A370 | L267-L285 HydrophobicContact CD1-CB 4.49Å; L267-L285 HydrophobicContact CD2-CD2 4.2Å; L267-L285 HydrophobicContact CG-CD2 4.19Å; L267-E367 HydrophobicContact CD2-CB 4.15Å; L267-E367 HydrophobicContact CD2-CG 3.64Å; L267-E367 WeakPolarHBondContact CD2-OE1 3.3Å; L267-A370 HydrophobicContact CD1-CB 3.96Å |
| 268 | T | 93.6 | Very high | 92.2 | Very high | 44 Ų | 44 | 57.3 Ų | 57.3 | 27% | 0.27 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 166 | -174 | 174.1 | 0 | 0 | 0 | 0 | 112 | L285 I286 D288 F334 | T268-L285 WeakPolarHBondContact O-CA 3.48Å; T268-I286 HydrophobicContact CG2-CD1 4.44Å; T268-I286 HydrophobicContact CG2-CG1 3.99Å; T268-I286 PolarHBondContact N-O 2.92Å; T268-I286 PolarHBondContact O-N 3.42Å; T268-D288 HydrophobicContact CG2-CB 3.38Å; T268-F334 HydrophobicContact CG2-CE1 4.38Å |
| 269 | G | 92.4 | Very high | 92 | Very high | 47 Ų | 47 | 62.7 Ų | 62.7 | 49% | 0.485 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 127.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q284 | G269-Q284 CarbonylContact C-O 3.53Å; G269-Q284 VanDerWaalsContact CA-O 3.29Å; G269-Q284 WeakPolarHBondContact CA-O 3.32Å |
| 270 | A | 92.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 63 Ų | 63 | 5% | 0.05 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.4 | 172 | 0 | 0 | 0 | 0 | 0 | 111.4 | G272 A283 Q284 I286 L328 F334 | A270-G272 PolarHBondContact O-N 3.42Å; A270-A283 CarbonylContact O-C 3.48Å; A270-Q284 PolarHBondContact N-O 2.61Å; A270-Q284 PolarHBondContact O-N 3.15Å; A270-I286 HydrophobicContact CB-CD1 3.49Å; A270-I286 VanDerWaalsContact CB-CD1 3.49Å; A270-I286 HydrophobicContact CB-CG1 3.93Å; A270-I286 HydrophobicContact CB-CG2 4.43Å; A270-L328 HydrophobicContact CB-CD2 3.95Å; A270-F334 HydrophobicContact CB-CD2 4.07Å; A270-F334 HydrophobicContact CB-CE2 3.57Å; A270-F334 HydrophobicContact CB-CZ 3.85Å |
| 271 | L | 93.9 | Very high | 91.9 | Very high | 90 Ų | 90 | 65.4 Ų | 65.4 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 119.6 | 176.7 | -74 | 179.2 | 0 | 0 | 0 | 110 | L328 A329 | L271-L328 WeakPolarHBondContact O-CA 3.29Å; L271-A329 HydrophobicContact CB-CB 4.15Å; L271-A329 PolarHBondContact O-N 3.17Å |
| 272 | G | 93.2 | Very high | 92 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 162.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | A270 V282 K327 | A270-G272 PolarHBondContact O-N 3.42Å; G272-V282 PolarHBondContact N-O 2.76Å; G272-V282 PolarHBondContact O-N 3.35Å; G272-K327 CarbonylContact C-O 3.53Å; G272-K327 VanDerWaalsContact CA-O 3.3Å; G272-K327 WeakPolarHBondContact CA-O 3.31Å |
| 273 | K | 92.7 | Very high | 92 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138 | 170.9 | -68.5 | 177.8 | 179.1 | -163.8 | 0 | 110 | Q278 E279 Y281 L323 K327 | K273-Q278 HydrophobicContact CB-CB 4.48Å; K273-Q278 HydrophobicContact CD-CB 4.47Å; K273-Q278 VanDerWaalsContact CD-O 3.31Å; K273-Q278 WeakPolarHBondContact CD-O 3.29Å; K273-Q278 WeakPolarHBondContact CE-O 3.46Å; K273-Q278 HydrophobicContact CG-CB 4.29Å; K273-Q278 HydrophobicContact CG-CG 4.12Å; K273-Q278 PolarHBondContact NZ-O 3.48Å; K273-E279 WeakPolarHBondContact CE-O 3.42Å; K273-E279 PolarHBondContact NZ-O 3.46Å; K273-Y281 HydrophobicContact CD-CD1 4.24Å; K273-Y281 HydrophobicContact CD-CE1 3.92Å; K273-Y281 HydrophobicContact CD-CE2 4.49Å; K273-Y281 HydrophobicContact CG-CD1 3.69Å; K273-Y281 HydrophobicContact CG-CE1 3.78Å; K273-Y281 HydrophobicContact CG-CG 4.21Å; K273-L323 HydrophobicContact CB-CD1 4.45Å; K273-K327 PolarHBondContact N-O 3.39Å; K273-K327 PolarHBondContact O-N 3.49Å |
| 274 | R | 89.3 | Confident | 92 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -12.8 | 175.6 | -61.5 | -173 | 95.6 | 134.3 | -19.2 | 113.5 | Q278 Q284 L323 I326 E366 | R274-Q278 VanDerWaalsContact N-OE1 3.08Å; R274-Q284 VanDerWaalsContact NH1-OE1 3.14Å; R274-L323 PolarHBondContact O-N 3.34Å; R274-I326 HydrophobicContact CG-CG1 4.33Å; R274-E366 IonicContact CZ-OE2 3.55Å; R274-E366 VanDerWaalsContact CZ-OE2 3.25Å; R274-E366 IonicContact NH1-OE2 2.7Å; R274-E366 PolarHBondContact NH1-OE2 2.71Å; R274-E366 IonicContact NH2-OE1 3.85Å; R274-E366 IonicContact NH2-OE2 2.87Å; R274-E366 PolarHBondContact NH2-OE2 3.05Å |
| 275 | T | 90.7 | Very high | 92.1 | Very high | 45 Ų | 45 | 69.1 Ų | 69.1 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 151.8 | -179.4 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | F277 Q278 T321 | T275-F277 VanDerWaalsContact C-N 3.27Å; T275-F277 PolarHBondContact O-N 2.85Å; T275-Q278 PolarHBondContact O-N 3.36Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.29Å; T275-T321 CarbonylContact C-O 3.45Å; T275-T321 WeakPolarHBondContact CA-O 3.48Å; T275-T321 WeakPolarHBondContact CB-O 3.46Å |
| 276 | R | 88.5 | Confident | 92 | Very high | 137 Ų | 137 | 69.6 Ų | 69.6 | 52% | 0.517 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -33.3 | -177.9 | -66.3 | -177.6 | -177.2 | 165.3 | -0.8 | 112.8 | D319 D320 T321 L323 | R276-D319 PolarHBondContact NH1-O 3.48Å; R276-D319 PolarHBondContact NH2-O 3.48Å; R276-D319 VanDerWaalsContact NH2-O 3.08Å; R276-D320 WeakPolarHBondContact CD-O 3.43Å; R276-D320 PolarHBondContact NH1-O 3.27Å; R276-T321 PolarHBondContact N-O 3.35Å; R276-L323 HydrophobicContact CG-CD2 3.59Å; R276-L323 HydrophobicContact CG-CG 4.47Å |
| 277 | F | 89.3 | Confident | 92 | Very high | 160 Ų | 160 | 66.4 Ų | 66.4 | 70% | 0.702 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 3.5 | -175.7 | -54.2 | -73.5 | 0 | 0 | 0 | 113.8 | T275 E279 T321 | T275-F277 VanDerWaalsContact C-N 3.27Å; T275-F277 PolarHBondContact O-N 2.85Å; F277-E279 PolarHBondContact O-N 3.29Å; F277-T321 HydrophobicContact CD2-CG2 4.38Å; F277-T321 HydrophobicContact CE2-CG2 4.06Å |
| 278 | Q | 90.8 | Very high | 92 | Very high | 41 Ų | 41 | 64 Ų | 64 | 19% | 0.192 | 33% | 0.331 | C | S | . | . | trans | -75.3 | 120.1 | -179.7 | -173.1 | 177.7 | -15.9 | 0 | 0 | 110.9 | K273 R274 T275 N280 | K273-Q278 HydrophobicContact CB-CB 4.48Å; K273-Q278 HydrophobicContact CD-CB 4.47Å; K273-Q278 VanDerWaalsContact CD-O 3.31Å; K273-Q278 WeakPolarHBondContact CD-O 3.29Å; K273-Q278 WeakPolarHBondContact CE-O 3.46Å; K273-Q278 HydrophobicContact CG-CB 4.29Å; K273-Q278 HydrophobicContact CG-CG 4.12Å; K273-Q278 PolarHBondContact NZ-O 3.48Å; R274-Q278 VanDerWaalsContact N-OE1 3.08Å; T275-Q278 PolarHBondContact O-N 3.36Å; T275-Q278 WeakPolarHBondContact OG1-CB 3.29Å; Q278-N280 WeakPolarHBondContact CG-O 3.43Å; Q278-N280 PolarHBondContact NE2-O 2.97Å | ||
| 279 | E | 89.5 | Confident | 92 | Very high | 165 Ų | 165 | 62.1 Ų | 62.1 | 77% | 0.771 | 32% | 0.319 | S | S | * | . | trans | -80.9 | -45.9 | 177.8 | -66.4 | -175.6 | 171.2 | 0 | 0 | 112.3 | K273 F277 | K273-E279 WeakPolarHBondContact CE-O 3.42Å; K273-E279 PolarHBondContact NZ-O 3.46Å; F277-E279 PolarHBondContact O-N 3.29Å | ||
| 280 | N | 92.4 | Very high | 91.9 | Very high | 124 Ų | 124 | 66 Ų | 66 | 66% | 0.663 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -95.9 | 139.3 | -175.8 | -63.9 | -33.4 | 0 | 0 | 0 | 112.3 | Q278 | Q278-N280 WeakPolarHBondContact CG-O 3.43Å; Q278-N280 PolarHBondContact NE2-O 2.97Å |
| 281 | Y | 91.9 | Very high | 91.7 | Very high | 91 Ų | 91 | 68.9 Ų | 68.9 | 36% | 0.357 | 33% | 0.329 | S | S | . | . | trans | -73.3 | 137.4 | 170.9 | -67.1 | -92.3 | 0 | 0 | 0 | 110.4 | K273 A329 | K273-Y281 HydrophobicContact CD-CD1 4.24Å; K273-Y281 HydrophobicContact CD-CE1 3.92Å; K273-Y281 HydrophobicContact CD-CE2 4.49Å; K273-Y281 HydrophobicContact CG-CD1 3.69Å; K273-Y281 HydrophobicContact CG-CE1 3.78Å; K273-Y281 HydrophobicContact CG-CG 4.21Å; Y281-A329 HydrophobicContact CD1-CB 3.69Å; Y281-A329 HydrophobicContact CD2-CB 4.15Å; Y281-A329 HydrophobicContact CE1-CB 3.8Å; Y281-A329 HydrophobicContact CE2-CB 4.21Å; Y281-A329 HydrophobicContact CG-CB 3.9Å | ||
| 282 | V | 93.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 69.5 Ų | 69.5 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 149 | 179.1 | 178.5 | 0 | 0 | 0 | 0 | 108.3 | G272 Q284 | G272-V282 PolarHBondContact N-O 2.76Å; G272-V282 PolarHBondContact O-N 3.35Å; V282-Q284 WeakPolarHBondContact O-CG 3.41Å; V282-Q284 PolarHBondContact O-N 3.38Å; V282-Q284 PolarHBondContact O-NE2 3.01Å |
| 283 | A | 92.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 72.1 Ų | 72.1 | 59% | 0.587 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 127 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A270 | A270-A283 CarbonylContact O-C 3.48Å |
| 284 | Q | 91.9 | Very high | 88.9 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.6 | 176.3 | -58.9 | -53.6 | -47.1 | 0 | 0 | 108.9 | G269 A270 R274 V282 I326 | G269-Q284 CarbonylContact C-O 3.53Å; G269-Q284 VanDerWaalsContact CA-O 3.29Å; G269-Q284 WeakPolarHBondContact CA-O 3.32Å; A270-Q284 PolarHBondContact N-O 2.61Å; A270-Q284 PolarHBondContact O-N 3.15Å; R274-Q284 VanDerWaalsContact NH1-OE1 3.14Å; V282-Q284 WeakPolarHBondContact O-CG 3.41Å; V282-Q284 PolarHBondContact O-N 3.38Å; V282-Q284 PolarHBondContact O-NE2 3.01Å; Q284-I326 HydrophobicContact CB-CD1 4.21Å; Q284-I326 HydrophobicContact CB-CG2 4.17Å; Q284-I326 HydrophobicContact CG-CD1 4.43Å; Q284-I326 HydrophobicContact CG-CG2 3.76Å |
| 285 | L | 93.7 | Very high | 87.5 | Confident | 58 Ų | 58 | 75.3 Ų | 75.3 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.2 | 171.9 | -70.8 | 169.3 | 0 | 0 | 0 | 109.6 | L267 T268 L363 E366 E367 | L267-L285 HydrophobicContact CD1-CB 4.49Å; L267-L285 HydrophobicContact CD2-CD2 4.2Å; L267-L285 HydrophobicContact CG-CD2 4.19Å; T268-L285 WeakPolarHBondContact O-CA 3.48Å; L285-L363 HydrophobicContact CD1-CD1 4.34Å; L285-E366 HydrophobicContact CD1-CB 4.35Å; L285-E367 HydrophobicContact CD1-CG 4Å |
| 286 | I | 93.1 | Very high | 86.4 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 12% | 0.118 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 162.1 | 173.9 | 63.5 | 163.4 | 0 | 0 | 0 | 109.7 | T268 A270 L328 F334 | T268-I286 HydrophobicContact CG2-CD1 4.44Å; T268-I286 HydrophobicContact CG2-CG1 3.99Å; T268-I286 PolarHBondContact N-O 2.92Å; T268-I286 PolarHBondContact O-N 3.42Å; A270-I286 HydrophobicContact CB-CD1 3.49Å; A270-I286 VanDerWaalsContact CB-CD1 3.49Å; A270-I286 HydrophobicContact CB-CG1 3.93Å; A270-I286 HydrophobicContact CB-CG2 4.43Å; I286-L328 HydrophobicContact CD1-CD1 4.47Å; I286-L328 HydrophobicContact CG2-CD2 4.21Å; I286-F334 HydrophobicContact CD1-CB 3.93Å; I286-F334 HydrophobicContact CD1-CD1 3.43Å; I286-F334 VanDerWaalsContact CD1-CD1 3.43Å; I286-F334 HydrophobicContact CD1-CD2 3.93Å; I286-F334 HydrophobicContact CD1-CE1 3.83Å; I286-F334 HydrophobicContact CD1-CE2 4.31Å; I286-F334 HydrophobicContact CD1-CG 3.47Å; I286-F334 VanDerWaalsContact CD1-CG 3.47Å; I286-F334 HydrophobicContact CD1-CZ 4.25Å |
| 287 | L | 94.5 | Very high | 85.1 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 9% | 0.094 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 118.9 | 170.5 | -155.4 | 71.5 | 0 | 0 | 0 | 108.6 | I265 V289 I347 F371 C374 | I265-L287 HydrophobicContact CG2-CD1 3.63Å; I265-L287 HydrophobicContact CG2-CD2 3.66Å; I265-L287 HydrophobicContact CG2-CG 3.72Å; L287-V289 HydrophobicContact CB-CG2 4.47Å; L287-V289 HydrophobicContact CD2-CG2 3.84Å; L287-V289 HydrophobicContact CG-CG2 3.95Å; L287-I347 HydrophobicContact CD2-CG2 3.81Å; L287-F371 HydrophobicContact CD1-CD1 4.04Å; L287-F371 HydrophobicContact CD1-CE1 3.67Å; L287-F371 HydrophobicContact CD1-CE2 4.26Å; L287-F371 HydrophobicContact CD1-CG 4.48Å; L287-F371 HydrophobicContact CD1-CZ 3.78Å; L287-F371 HydrophobicContact CD2-CD1 3.68Å; L287-F371 HydrophobicContact CD2-CE1 3.89Å; L287-F371 HydrophobicContact CD2-CG 4.43Å; L287-F371 HydrophobicContact CG-CE1 4.47Å; L287-C374 HydrophobicContact CB-CB 4.01Å; L287-C374 HydrophobicContact CD2-CB 4.01Å |
| 288 | D | 92.8 | Very high | 83.8 | Confident | 16 Ų | 16 | 66.5 Ų | 66.5 | 9% | 0.086 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.3 | 170.2 | -177.6 | 9.4 | 0 | 0 | 0 | 108 | D266 T268 R290 | D266-D288 PolarHBondContact N-O 3.3Å; D266-D288 PolarHBondContact O-N 2.92Å; T268-D288 HydrophobicContact CG2-CB 3.38Å; D288-R290 IonicContact OD1-NE 3.95Å; D288-R290 PolarHBondContact OD1-NE 3.02Å; D288-R290 IonicContact OD2-CZ 2.99Å; D288-R290 IonicContact OD2-NE 2.71Å; D288-R290 PolarHBondContact OD2-NE 3.16Å; D288-R290 IonicContact OD2-NH2 2.64Å; D288-R290 PolarHBondContact OD2-NH2 3.21Å |
| 289 | V | 93.1 | Very high | 82.7 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.024 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 120.2 | -174.2 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L263 Q264 I265 L287 M336 P337 L339 I347 | L263-V289 HydrophobicContact CD1-CG1 3.6Å; L263-V289 HydrophobicContact CD2-CG1 4.3Å; L263-V289 HydrophobicContact CG-CG1 4.03Å; Q264-V289 WeakPolarHBondContact O-CA 3.24Å; I265-V289 HydrophobicContact CG1-CG1 4.46Å; L287-V289 HydrophobicContact CB-CG2 4.47Å; L287-V289 HydrophobicContact CD2-CG2 3.84Å; L287-V289 HydrophobicContact CG-CG2 3.95Å; V289-M336 HydrophobicContact CB-CG 4.21Å; V289-M336 HydrophobicContact CB-SD 4.35Å; V289-M336 HydrophobicContact CG2-SD 4.33Å; V289-P337 WeakPolarHBondContact O-CD 3.41Å; V289-L339 HydrophobicContact CG1-CD1 4.2Å; V289-L339 HydrophobicContact CG1-CD2 4.29Å; V289-I347 HydrophobicContact CG1-CD1 4.26Å; V289-I347 HydrophobicContact CG2-CD1 4.15Å |
| 290 | R | 91.1 | Very high | 82.4 | Confident | 128 Ų | 128 | 65.7 Ų | 65.7 | 48% | 0.483 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 140 | -177.1 | -57.2 | -178.8 | -172.6 | 179.9 | 2.2 | 110 | Q264 D288 | Q264-R290 HydrophobicContact CB-CB 4.39Å; Q264-R290 PolarHBondContact N-O 3.23Å; Q264-R290 PolarHBondContact O-N 2.96Å; D288-R290 IonicContact OD1-NE 3.95Å; D288-R290 PolarHBondContact OD1-NE 3.02Å; D288-R290 IonicContact OD2-CZ 2.99Å; D288-R290 IonicContact OD2-NE 2.71Å; D288-R290 PolarHBondContact OD2-NE 3.16Å; D288-R290 IonicContact OD2-NH2 2.64Å; D288-R290 PolarHBondContact OD2-NH2 3.21Å |
| 291 | R | 88.1 | Confident | 82.1 | Confident | 66 Ų | 66 | 61.5 Ų | 61.5 | 25% | 0.249 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123.1 | 174.5 | -169.9 | -175.3 | -71.1 | 150.5 | 5 | 109 | G293 D338 E343 | R291-G293 WeakPolarHBondContact CD-O 3.4Å; R291-G293 WeakPolarHBondContact CG-O 3.46Å; R291-D338 PolarHBondContact NH2-O 3.01Å; R291-E343 IonicContact CZ-OE1 3.35Å; R291-E343 IonicContact CZ-OE2 3.68Å; R291-E343 IonicContact NE-OE1 2.76Å; R291-E343 PolarHBondContact NE-OE1 3.46Å; R291-E343 IonicContact NE-OE2 2.73Å; R291-E343 VanDerWaalsContact NH2-CD 3.34Å; R291-E343 IonicContact NH2-OE1 3.1Å; R291-E343 PolarHBondContact NH2-OE1 2.88Å; R291-E343 VanDerWaalsContact NH2-OE1 3.13Å; R291-E343 IonicContact NH2-OE2 3.13Å; R291-E343 PolarHBondContact NH2-OE2 2.96Å |
| 292 | E | 83.1 | Confident | 82 | Confident | 104 Ų | 104 | 57.8 Ų | 57.8 | 49% | 0.486 | 32% | 0.324 | S | S | . | . | trans | -87.8 | 112.7 | 169.8 | -65.8 | -169.6 | 141.7 | 0 | 0 | 108.7 | Q262 Q264 | Q262-E292 HydrophobicContact CB-CB 4.39Å; Q262-E292 WeakPolarHBondContact CB-O 3.46Å; Q262-E292 PolarHBondContact O-N 2.72Å; Q262-E292 PolarHBondContact OE1-O 3.23Å; Q264-E292 HydrophobicContact CG-CG 4.3Å; Q264-E292 PolarHBondContact NE2-OE1 3.47Å; Q264-E292 PolarHBondContact NE2-OE2 3.27Å | ||
| 293 | G | 72.4 | Confident | 81.9 | Confident | 54 Ų | 54 | 54.1 Ų | 54.1 | 56% | 0.557 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 79.9 | -177.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | R291 | R291-G293 WeakPolarHBondContact CD-O 3.4Å; R291-G293 WeakPolarHBondContact CG-O 3.46Å |
| 294 | D | 65.3 | Low | 81.9 | Confident | 132 Ų | 132 | 53.8 Ų | 53.8 | 71% | 0.706 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -109.7 | 30.5 | -172.4 | -136 | 10.3 | 0 | 0 | 0 | 111.8 | L296 S297 | D294-L296 PolarHBondContact O-N 3.19Å; D294-S297 VanDerWaalsContact CG-OG 3.25Å; D294-S297 PolarHBondContact O-N 3.02Å; D294-S297 PolarHBondContact O-OG 2.84Å; D294-S297 WeakPolarHBondContact OD1-CB 3.46Å; D294-S297 PolarHBondContact OD1-OG 2.78Å |
| 295 | V | 60.8 | Low | 82 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -29.3 | -161.7 | 177.7 | 0 | 0 | 0 | 0 | 114.5 | Q262 | Q262-V295 HydrophobicContact CG-CG2 4.47Š|
| 296 | L | 67.9 | Low | 82 | Confident | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 24.8 | -179.2 | -64.7 | 175.9 | 0 | 0 | 0 | 112.7 | Y228 I231 D294 N298 E343 | Y228-L296 HydrophobicContact CD1-CD2 4.19Å; Y228-L296 HydrophobicContact CD2-CD2 4.44Å; Y228-L296 HydrophobicContact CE1-CB 4.31Å; Y228-L296 HydrophobicContact CE1-CD2 3.71Å; Y228-L296 HydrophobicContact CE1-CG 4.41Å; Y228-L296 HydrophobicContact CE2-CD2 3.98Å; Y228-L296 PolarHBondContact OH-O 3.49Å; I231-L296 HydrophobicContact CD1-CD1 4.09Å; D294-L296 PolarHBondContact O-N 3.19Å; L296-N298 PolarHBondContact O-N 3.48Å; L296-E343 HydrophobicContact CD1-CG 4.06Å |
| 297 | S | 59.7 | Low | 82 | Confident | 48 Ų | 48 | 55.5 Ų | 55.5 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | trans | -77.8 | -6.7 | -173.5 | -55.9 | 0 | 0 | 0 | 0 | 113.9 | D294 | D294-S297 VanDerWaalsContact CG-OG 3.25Å; D294-S297 PolarHBondContact O-N 3.02Å; D294-S297 PolarHBondContact O-OG 2.84Å; D294-S297 WeakPolarHBondContact OD1-CB 3.46Å; D294-S297 PolarHBondContact OD1-OG 2.78Å | ||
| 298 | N | 61.7 | Low | 81.8 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 53% | 0.529 | 35% | 0.345 | S | S | . | . | trans | -85.2 | 110 | 175.1 | -87.4 | -12.2 | 0 | 0 | 0 | 112 | Y228 L296 E300 | Y228-N298 PolarHBondContact OH-O 3.1Å; L296-N298 PolarHBondContact O-N 3.48Å; N298-E300 VanDerWaalsContact C-N 3.26Å; N298-E300 PolarHBondContact O-N 2.9Å | ||
| 299 | C | 68.1 | Low | 81.7 | Confident | 104 Ų | 104 | 68.4 Ų | 68.4 | 70% | 0.703 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -5.5 | -179.1 | -70.6 | 0 | 0 | 0 | 0 | 115.3 | F301 | C299-F301 PolarHBondContact O-N 2.89Š|
| 300 | E | 82.6 | Confident | 81.6 | Confident | 86 Ų | 86 | 70.6 Ų | 70.6 | 40% | 0.402 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -32.6 | -173.4 | -174.8 | 176.3 | -172.5 | 0 | 0 | 113.4 | T14 N298 | T14-E300 WeakPolarHBondContact CB-OE1 3.5Å; T14-E300 HydrophobicContact CG2-CG 4Å; T14-E300 PolarHBondContact OG1-OE1 2.63Å; N298-E300 VanDerWaalsContact C-N 3.26Å; N298-E300 PolarHBondContact O-N 2.9Å |
| 301 | F | 86.6 | Confident | 81.7 | Confident | 35 Ų | 35 | 65.3 Ų | 65.3 | 15% | 0.154 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -103.5 | -5.7 | -171.8 | -56.6 | -64.2 | 0 | 0 | 0 | 114.5 | T14 D224 S225 Y228 C299 | T14-F301 HydrophobicContact CG2-CD1 3.75Å; T14-F301 HydrophobicContact CG2-CE1 3.84Å; D224-F301 HydrophobicContact CB-CD2 4.24Å; D224-F301 HydrophobicContact CB-CE2 4Å; S225-F301 VanDerWaalsContact CB-CD1 3.45Å; Y228-F301 HydrophobicContact CD2-CB 3.53Å; Y228-F301 HydrophobicContact CD2-CG 4.45Å; Y228-F301 HydrophobicContact CE2-CB 3.78Å; Y228-F301 HydrophobicContact CE2-CD2 4.35Å; Y228-F301 HydrophobicContact CG-CB 4.27Å; C299-F301 PolarHBondContact O-N 2.89Å |
| 302 | T | 89.8 | Confident | 81.6 | Confident | 13 Ų | 13 | 62.4 Ų | 62.4 | 8% | 0.08 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -100.2 | 143.8 | 172.9 | -169.8 | 0 | 0 | 0 | 0 | 109 | F12 C340 A341 E342 | F12-T302 VanDerWaalsContact CZ-C 3.47Å; T302-C340 HydrophobicContact CG2-CB 4.2Å; T302-A341 PolarHBondContact OG1-N 3Å; T302-E342 WeakPolarHBondContact CB-OE2 3.33Å; T302-E342 PolarHBondContact OG1-OE2 3.46Å |
| 303 | P | 91.5 | Very high | 81.9 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 142.2 | 178.9 | 25.1 | -33.4 | 0 | 0 | 0 | 111 | F12 A341 F381 K429 | F12-P303 HydrophobicContact CD1-CB 4.21Å; F12-P303 HydrophobicContact CE1-CB 3.74Å; F12-P303 HydrophobicContact CE1-CG 4.34Å; F12-P303 HydrophobicContact CZ-CB 4.34Å; P303-A341 HydrophobicContact CG-CB 3.59Å; P303-F381 HydrophobicContact CB-CE1 4.42Å; P303-F381 HydrophobicContact CG-CE1 4.07Å; P303-F381 VanDerWaalsContact O-CE1 3.3Å; P303-F381 WeakPolarHBondContact O-CE1 3.46Å; P303-K429 HydrophobicContact CB-CB 4.43Å; P303-K429 HydrophobicContact CB-CD 4.03Å; P303-K429 HydrophobicContact CB-CG 3.98Å |
| 304 | A | 91.6 | Very high | 82.9 | Confident | 64 Ų | 64 | 64.7 Ų | 64.7 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 145.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | K429 | A304-K429 PolarHBondContact O-NZ 3.15Š|
| 305 | P | 93.7 | Very high | 84.3 | Confident | 76 Ų | 76 | 59.9 Ų | 59.9 | 49% | 0.494 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 141.7 | 175 | -25.2 | 34.6 | 0 | 0 | 0 | 112.5 | K380 | P305-K380 CarbonylContact C-O 3.55Å; P305-K380 WeakPolarHBondContact CA-O 3.37Å; P305-K380 HydrophobicContact CB-CB 4.15Å; P305-K380 HydrophobicContact CB-CG 4.33Å; P305-K380 HydrophobicContact CG-CD 4.37Å |
| 306 | T | 94 | Very high | 85.7 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 134.5 | 170.1 | -56.7 | 0 | 0 | 0 | 0 | 109.9 | H310 L311 K380 E426 | T306-H310 HydrophobicContact CG2-CB 3.77Å; T306-L311 HydrophobicContact CG2-CD2 3.83Å; T306-L311 HydrophobicContact CG2-CG 4.09Å; T306-K380 WeakPolarHBondContact CB-O 3.44Å; T306-K380 PolarHBondContact N-O 3.34Å; T306-E426 VanDerWaalsContact CA-OE2 3.22Å; T306-E426 WeakPolarHBondContact CA-OE2 3.46Å; T306-E426 WeakPolarHBondContact CB-OE2 3.36Å; T306-E426 HydrophobicContact CG2-CB 4.05Å; T306-E426 HydrophobicContact CG2-CG 4.22Å; T306-E426 WeakPolarHBondContact CG2-OE2 3.27Å; T306-E426 PolarHBondContact OG1-OE2 3.16Å |
| 307 | P | 93.3 | Very high | 86.7 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 35% | 0.351 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -54 | 141.8 | 174.2 | -26.7 | 35.2 | 0 | 0 | 0 | 112.2 | E309 H310 L311 | P307-E309 HydrophobicContact CB-CG 4.2Å; P307-E309 PolarHBondContact O-N 3.14Å; P307-H310 WeakPolarHBondContact O-CB 3.43Å; P307-H310 PolarHBondContact O-N 3.34Å; P307-L311 PolarHBondContact O-N 2.94Å |
| 308 | Q | 90.7 | Very high | 88 | Confident | 151 Ų | 151 | 66.2 Ų | 66.2 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -60.5 | -33 | -175 | -71.6 | -175 | -5.9 | 0 | 0 | 113.3 | H310 L311 | Q308-H310 PolarHBondContact O-N 3.41Å; Q308-L311 PolarHBondContact O-N 3.43Å |
| 309 | E | 90.5 | Very high | 89.3 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -64.5 | -23.1 | 174.4 | 59.3 | -117.1 | -156.1 | 0 | 0 | 114.4 | P307 | P307-E309 HydrophobicContact CB-CG 4.2Å; P307-E309 PolarHBondContact O-N 3.14Å |
| 310 | H | 91.7 | Very high | 90.3 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 23% | 0.231 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -96 | -2.3 | -179.6 | -63.1 | 165.5 | 0 | 0 | 0 | 112.6 | T306 P307 Q308 T422 | T306-H310 HydrophobicContact CG2-CB 3.77Å; P307-H310 WeakPolarHBondContact O-CB 3.43Å; P307-H310 PolarHBondContact O-N 3.34Å; Q308-H310 PolarHBondContact O-N 3.41Å; H310-T422 HydrophobicContact CB-CG2 4.05Å; H310-T422 WeakPolarHBondContact O-CG2 3.49Å; H310-T422 PolarHBondContact O-OG1 3.02Å; H310-T422 VanDerWaalsContact O-OG1 3.07Å |
| 311 | L | 91.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 9% | 0.089 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -85.9 | 152 | 176.3 | -70.3 | 172.5 | 0 | 0 | 0 | 111.1 | T306 P307 Q308 K313 P379 W382 | T306-L311 HydrophobicContact CG2-CD2 3.83Å; T306-L311 HydrophobicContact CG2-CG 4.09Å; P307-L311 PolarHBondContact O-N 2.94Å; Q308-L311 PolarHBondContact O-N 3.43Å; L311-K313 PolarHBondContact O-N 2.92Å; L311-P379 VanDerWaalsContact CD1-C 3.43Å; L311-P379 HydrophobicContact CD1-CB 3.92Å; L311-P379 WeakPolarHBondContact CD1-O 3.43Å; L311-W382 HydrophobicContact CD2-CB 4.34Å |
| 312 | T | 86.8 | Confident | 90.8 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 126.7 | 175.2 | -41.3 | 0 | 0 | 0 | 0 | 110.5 | N314 Q385 T386 L389 L413 Q416 | T312-N314 PolarHBondContact O-N 3.19Å; T312-N314 VanDerWaalsContact O-N 3.08Å; T312-Q385 PolarHBondContact O-NE2 3.43Å; T312-T386 PolarHBondContact OG1-OG1 3.39Å; T312-L389 HydrophobicContact CG2-CD1 3.8Å; T312-L413 HydrophobicContact CG2-CD2 3.72Å; T312-L413 HydrophobicContact CG2-CG 4.25Å; T312-Q416 PolarHBondContact OG1-NE2 3.06Å; T312-Q416 PolarHBondContact OG1-OE1 3.27Å |
| 313 | K | 89.8 | Confident | 90.8 | Very high | 154 Ų | 154 | 62.9 Ų | 62.9 | 67% | 0.67 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 118.8 | 179.6 | -168.6 | 176.8 | 178.8 | 174.1 | 0 | 111.2 | L311 L315 Q409 | L311-K313 PolarHBondContact O-N 2.92Å; K313-L315 HydrophobicContact CD-CD2 3.75Å; K313-L315 HydrophobicContact CG-CD2 3.92Å; K313-L315 PolarHBondContact O-N 2.82Å; K313-Q409 PolarHBondContact O-NE2 3.08Å; K313-Q409 PolarHBondContact O-OE1 3.45Å |
| 314 | N | 93.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 65.1 Ų | 65.1 | 28% | 0.283 | 34% | 0.344 | S | S | . | . | trans | -80.9 | 104.3 | 169.9 | -178.8 | 7.8 | 0 | 0 | 0 | 108.4 | T312 L389 R392 | T312-N314 PolarHBondContact O-N 3.19Å; T312-N314 VanDerWaalsContact O-N 3.08Å; N314-L389 HydrophobicContact CB-CD2 4.34Å; N314-R392 VanDerWaalsContact OD1-CZ 3.23Å; N314-R392 PolarHBondContact OD1-NH1 3.15Å; N314-R392 PolarHBondContact OD1-NH2 2.7Å | ||
| 315 | L | 93.9 | Very high | 90.3 | Very high | 31 Ų | 31 | 67 Ų | 67 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | trans | -74.3 | 136.1 | -175.6 | -61.9 | -177.2 | 0 | 0 | 0 | 111.7 | K313 R405 R408 Q409 A412 | K313-L315 HydrophobicContact CD-CD2 3.75Å; K313-L315 HydrophobicContact CG-CD2 3.92Å; K313-L315 PolarHBondContact O-N 2.82Å; L315-R405 VanDerWaalsContact O-CD 3.26Å; L315-R405 WeakPolarHBondContact O-CD 3.42Å; L315-R408 HydrophobicContact CD1-CB 3.57Å; L315-R408 WeakPolarHBondContact CD1-O 3.32Å; L315-Q409 HydrophobicContact CD1-CB 4.34Å; L315-A412 HydrophobicContact CD1-CB 4.46Å | ||
| 316 | E | 91.1 | Very high | 90.1 | Very high | 120 Ų | 120 | 65.8 Ų | 65.8 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | trans | -71.2 | 148.7 | 174.2 | -64.9 | -176.3 | 164.1 | 0 | 0 | 111.7 | N318 N324 | E316-N318 PolarHBondContact OE2-OD1 2.85Å; E316-N324 WeakPolarHBondContact CA-OD1 3.45Å | ||
| 317 | L | 88.8 | Confident | 89.9 | Confident | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | trans | -65.6 | -44.1 | 178 | -174.7 | 61.2 | 0 | 0 | 0 | 112.2 | D319 V322 N324 R401 R402 R405 | L317-D319 HydrophobicContact CD2-CB 3.9Å; L317-D319 HydrophobicContact CG-CB 3.78Å; L317-D319 PolarHBondContact O-N 2.88Å; L317-V322 HydrophobicContact CD2-CB 3.85Å; L317-V322 HydrophobicContact CD2-CG1 3.71Å; L317-N324 PolarHBondContact N-OD1 3.39Å; L317-R401 WeakPolarHBondContact CD1-O 3.48Å; L317-R402 HydrophobicContact CD1-CB 4.3Å; L317-R402 HydrophobicContact CD1-CG 4Å; L317-R402 HydrophobicContact CD2-CG 4.43Å; L317-R405 HydrophobicContact CD1-CB 3.82Å | ||
| 318 | N | 86 | Confident | 89.8 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 57% | 0.567 | 35% | 0.353 | S | S | * | . | trans | 53.3 | 33.3 | -176.7 | -64.8 | -22 | 0 | 0 | 0 | 114.6 | E316 | E316-N318 PolarHBondContact OE2-OD1 2.85Š| ||
| 319 | D | 89.9 | Confident | 89.7 | Confident | 34 Ų | 34 | 65.9 Ų | 65.9 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -86.3 | 143.9 | 174.5 | -176.8 | -83.7 | 0 | 0 | 0 | 111 | R276 L317 T321 V322 | R276-D319 PolarHBondContact NH1-O 3.48Å; R276-D319 PolarHBondContact NH2-O 3.48Å; R276-D319 VanDerWaalsContact NH2-O 3.08Å; L317-D319 HydrophobicContact CD2-CB 3.9Å; L317-D319 HydrophobicContact CG-CB 3.78Å; L317-D319 PolarHBondContact O-N 2.88Å; D319-T321 PolarHBondContact O-N 2.8Å; D319-T321 WeakPolarHBondContact OD1-CA 3.45Å; D319-T321 WeakPolarHBondContact OD1-CB 3.48Å; D319-T321 PolarHBondContact OD1-N 2.75Å; D319-T321 PolarHBondContact OD1-OG1 2.91Å; D319-V322 HydrophobicContact CB-CB 4.38Å; D319-V322 PolarHBondContact OD1-N 3.32Å | ||
| 320 | D | 87.7 | Confident | 89.3 | Confident | 126 Ų | 126 | 62.9 Ų | 62.9 | 67% | 0.674 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -71.1 | -18.2 | -177.1 | -71.9 | -30.5 | 0 | 0 | 0 | 113.8 | R276 | R276-D320 WeakPolarHBondContact CD-O 3.43Å; R276-D320 PolarHBondContact NH1-O 3.27Å |
| 321 | T | 89.5 | Confident | 88.6 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 22% | 0.215 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -118.4 | -46.4 | -172.6 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | T275 R276 F277 D319 R401 | T275-T321 CarbonylContact C-O 3.45Å; T275-T321 WeakPolarHBondContact CA-O 3.48Å; T275-T321 WeakPolarHBondContact CB-O 3.46Å; R276-T321 PolarHBondContact N-O 3.35Å; F277-T321 HydrophobicContact CD2-CG2 4.38Å; F277-T321 HydrophobicContact CE2-CG2 4.06Å; D319-T321 PolarHBondContact O-N 2.8Å; D319-T321 WeakPolarHBondContact OD1-CA 3.45Å; D319-T321 WeakPolarHBondContact OD1-CB 3.48Å; D319-T321 PolarHBondContact OD1-N 2.75Å; D319-T321 PolarHBondContact OD1-OG1 2.91Å; T321-R401 PolarHBondContact OG1-NH1 3.17Å |
| 322 | V | 91.1 | Very high | 88.1 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 135.2 | -175.9 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | L317 D319 R401 | L317-V322 HydrophobicContact CD2-CB 3.85Å; L317-V322 HydrophobicContact CD2-CG1 3.71Å; D319-V322 HydrophobicContact CB-CB 4.38Å; D319-V322 PolarHBondContact OD1-N 3.32Å; V322-R401 HydrophobicContact CG2-CB 4.43Å |
| 323 | L | 89.7 | Confident | 87.8 | Confident | 44 Ų | 44 | 77 Ų | 77 | 23% | 0.23 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 151.4 | 176.6 | -63.9 | 172.9 | 0 | 0 | 0 | 110.8 | K273 R274 R276 D325 K327 | K273-L323 HydrophobicContact CB-CD1 4.45Å; R274-L323 PolarHBondContact O-N 3.34Å; R276-L323 HydrophobicContact CG-CD2 3.59Å; R276-L323 HydrophobicContact CG-CG 4.47Å; L323-D325 VanDerWaalsContact C-N 3.33Å; L323-D325 VanDerWaalsContact CB-O 3.27Å; L323-D325 WeakPolarHBondContact CB-O 3.48Å; L323-K327 HydrophobicContact CD1-CB 4.09Å |
| 324 | N | 86.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 71.7 Ų | 71.7 | 27% | 0.267 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | -44 | 174.3 | -170.5 | 65.1 | 0 | 0 | 0 | 111.4 | E316 L317 R405 | E316-N324 WeakPolarHBondContact CA-OD1 3.45Å; L317-N324 PolarHBondContact N-OD1 3.39Å; N324-R405 PolarHBondContact OD1-NH1 2.94Å |
| 325 | D | 86.7 | Confident | 86.8 | Confident | 104 Ų | 104 | 76.2 Ų | 76.2 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130 | 153.5 | 179.6 | -56.5 | -65.4 | 0 | 0 | 0 | 110.2 | L323 K327 | L323-D325 VanDerWaalsContact C-N 3.33Å; L323-D325 VanDerWaalsContact CB-O 3.27Å; L323-D325 WeakPolarHBondContact CB-O 3.48Å; D325-K327 PolarHBondContact O-N 3.29Å |
| 326 | I | 89.3 | Confident | 86.3 | Confident | 51 Ų | 51 | 77 Ų | 77 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 123.9 | 178.9 | -59.7 | 178.1 | 0 | 0 | 0 | 109 | R274 Q284 L328 | R274-I326 HydrophobicContact CG-CG1 4.33Å; Q284-I326 HydrophobicContact CB-CD1 4.21Å; Q284-I326 HydrophobicContact CB-CG2 4.17Å; Q284-I326 HydrophobicContact CG-CD1 4.43Å; Q284-I326 HydrophobicContact CG-CG2 3.76Å; I326-L328 HydrophobicContact CG2-CD2 3.86Å; I326-L328 PolarHBondContact O-N 3.27Å |
| 327 | K | 89.7 | Confident | 86.2 | Confident | 131 Ų | 131 | 72.9 Ų | 72.9 | 57% | 0.57 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 103.2 | 174.3 | -172.8 | 174.9 | -178.3 | 175.3 | 0 | 109.8 | G272 K273 L323 D325 | G272-K327 CarbonylContact C-O 3.53Å; G272-K327 VanDerWaalsContact CA-O 3.3Å; G272-K327 WeakPolarHBondContact CA-O 3.31Å; K273-K327 PolarHBondContact N-O 3.39Å; K273-K327 PolarHBondContact O-N 3.49Å; L323-K327 HydrophobicContact CD1-CB 4.09Å; D325-K327 PolarHBondContact O-N 3.29Å |
| 328 | L | 90.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 78 Ų | 78 | 22% | 0.22 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 148.9 | 177.8 | -59.9 | 179.5 | 0 | 0 | 0 | 111.8 | A270 L271 I286 I326 | A270-L328 HydrophobicContact CB-CD2 3.95Å; L271-L328 WeakPolarHBondContact O-CA 3.29Å; I286-L328 HydrophobicContact CD1-CD1 4.47Å; I286-L328 HydrophobicContact CG2-CD2 4.21Å; I326-L328 HydrophobicContact CG2-CD2 3.86Å; I326-L328 PolarHBondContact O-N 3.27Å |
| 329 | A | 88.3 | Confident | 86.6 | Confident | 38 Ų | 38 | 73 Ų | 73 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -72.3 | -46.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L271 Y281 | L271-A329 HydrophobicContact CB-CB 4.15Å; L271-A329 PolarHBondContact O-N 3.17Å; Y281-A329 HydrophobicContact CD1-CB 3.69Å; Y281-A329 HydrophobicContact CD2-CB 4.15Å; Y281-A329 HydrophobicContact CE1-CB 3.8Å; Y281-A329 HydrophobicContact CE2-CB 4.21Å; Y281-A329 HydrophobicContact CG-CB 3.9Å |
| 330 | D | 83.4 | Confident | 86.7 | Confident | 91 Ų | 91 | 72.1 Ų | 72.1 | 49% | 0.487 | 38% | 0.377 | S | S | . | . | trans | -115 | 67.3 | -173.7 | -56.6 | -50.8 | 0 | 0 | 0 | 110.6 | E332 Q333 F334 | D330-E332 PolarHBondContact O-N 2.98Å; D330-Q333 HydrophobicContact CB-CB 4.46Å; D330-Q333 PolarHBondContact O-N 2.93Å; D330-F334 WeakPolarHBondContact O-CD2 3.26Å | ||
| 331 | C | 77.1 | Confident | 87 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.2 | -176 | 56.7 | 0 | 0 | 0 | 0 | 113.9 | Q333 F334 | C331-Q333 VanDerWaalsContact C-N 3.33Å; C331-Q333 PolarHBondContact O-N 3.37Å; C331-F334 PolarHBondContact O-N 2.79Å |
| 332 | E | 80.4 | Confident | 87.2 | Confident | 158 Ų | 158 | 64.4 Ų | 64.4 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -31.3 | 179.8 | -63.9 | -177.4 | 177.8 | 0 | 0 | 112.8 | D330 F334 | D330-E332 PolarHBondContact O-N 2.98Å; E332-F334 VanDerWaalsContact C-N 3.28Å; E332-F334 PolarHBondContact O-N 3.48Å |
| 333 | Q | 81 | Confident | 87.4 | Confident | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.9 | -178.4 | -175.6 | 175.4 | 5.9 | 0 | 0 | 112.7 | D330 C331 | D330-Q333 HydrophobicContact CB-CB 4.46Å; D330-Q333 PolarHBondContact O-N 2.93Å; C331-Q333 VanDerWaalsContact C-N 3.33Å; C331-Q333 PolarHBondContact O-N 3.37Å |
| 334 | F | 80.7 | Confident | 87.7 | Confident | 42 Ų | 42 | 61 Ų | 61 | 18% | 0.184 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 33.2 | -174.1 | -56.1 | -75.8 | 0 | 0 | 0 | 111.8 | T268 A270 I286 D330 C331 E332 M336 | T268-F334 HydrophobicContact CG2-CE1 4.38Å; A270-F334 HydrophobicContact CB-CD2 4.07Å; A270-F334 HydrophobicContact CB-CE2 3.57Å; A270-F334 HydrophobicContact CB-CZ 3.85Å; I286-F334 HydrophobicContact CD1-CB 3.93Å; I286-F334 HydrophobicContact CD1-CD1 3.43Å; I286-F334 VanDerWaalsContact CD1-CD1 3.43Å; I286-F334 HydrophobicContact CD1-CD2 3.93Å; I286-F334 HydrophobicContact CD1-CE1 3.83Å; I286-F334 HydrophobicContact CD1-CE2 4.31Å; I286-F334 HydrophobicContact CD1-CG 3.47Å; I286-F334 VanDerWaalsContact CD1-CG 3.47Å; I286-F334 HydrophobicContact CD1-CZ 4.25Å; D330-F334 WeakPolarHBondContact O-CD2 3.26Å; C331-F334 PolarHBondContact O-N 2.79Å; E332-F334 VanDerWaalsContact C-N 3.28Å; E332-F334 PolarHBondContact O-N 3.48Å; F334-M336 PolarHBondContact O-N 3.49Å |
| 335 | Q | 80.6 | Confident | 88.2 | Confident | 149 Ų | 149 | 58.6 Ų | 58.6 | 70% | 0.696 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 120.7 | 174.4 | -76.9 | -176.1 | -0.6 | 0 | 0 | 110.3 | ||
| 336 | M | 84 | Confident | 88.8 | Confident | 48 Ų | 48 | 53.7 Ų | 53.7 | 24% | 0.236 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -79.5 | 134.8 | 178.6 | -166.7 | 161 | 78.2 | 0 | 0 | 110.4 | V289 F334 L339 C374 S377 Q378 | V289-M336 HydrophobicContact CB-CG 4.21Å; V289-M336 HydrophobicContact CB-SD 4.35Å; V289-M336 HydrophobicContact CG2-SD 4.33Å; F334-M336 PolarHBondContact O-N 3.49Å; M336-L339 HydrophobicContact CE-CD1 4.33Å; M336-L339 HydrophobicContact CG-CD1 4.35Å; M336-L339 HydrophobicContact SD-CD1 4.16Å; M336-C374 PolarHBondContact SD-SG 3.33Å; M336-S377 WeakPolarHBondContact CE-OG 3.37Å; M336-Q378 HydrophobicContact CE-CB 4.21Å; M336-Q378 HydrophobicContact CE-CG 3.44Å; M336-Q378 VanDerWaalsContact CE-CG 3.44Å |
| 337 | P | 89.6 | Confident | 89.2 | Confident | 33 Ų | 33 | 51.2 Ų | 51.2 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 158.8 | 173 | 27 | -34.2 | 0 | 0 | 0 | 111 | V289 L339 Q378 | V289-P337 WeakPolarHBondContact O-CD 3.41Å; P337-L339 HydrophobicContact CG-CD2 3.88Å; P337-L339 WeakPolarHBondContact O-CG 3.42Å; P337-L339 PolarHBondContact O-N 3.18Å; P337-L339 VanDerWaalsContact O-N 3.15Å; P337-Q378 PolarHBondContact O-NE2 3.04Å |
| 338 | D | 90.3 | Very high | 89.5 | Confident | 116 Ų | 116 | 45.2 Ų | 45.2 | 62% | 0.62 | 24% | 0.238 | S | C | * | . | trans | -72.2 | 107.2 | 175.9 | -165.8 | 50.4 | 0 | 0 | 0 | 110.2 | R291 K380 | R291-D338 PolarHBondContact NH2-O 3.01Å; D338-K380 VanDerWaalsContact OD1-CE 3.25Å; D338-K380 WeakPolarHBondContact OD1-CE 3.48Å; D338-K380 IonicContact OD1-NZ 2.64Å; D338-K380 PolarHBondContact OD1-NZ 3.23Å; D338-K380 IonicContact OD2-NZ 3.92Å; D338-K380 PolarHBondContact OD2-NZ 3.43Å | ||
| 339 | L | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -90.9 | 142.2 | -170.4 | -60.7 | 178.2 | 0 | 0 | 0 | 112 | L263 V289 M336 P337 E343 L344 I347 K380 | L263-L339 HydrophobicContact CD1-CD2 3.95Å; V289-L339 HydrophobicContact CG1-CD1 4.2Å; V289-L339 HydrophobicContact CG1-CD2 4.29Å; M336-L339 HydrophobicContact CE-CD1 4.33Å; M336-L339 HydrophobicContact CG-CD1 4.35Å; M336-L339 HydrophobicContact SD-CD1 4.16Å; P337-L339 HydrophobicContact CG-CD2 3.88Å; P337-L339 WeakPolarHBondContact O-CG 3.42Å; P337-L339 PolarHBondContact O-N 3.18Å; P337-L339 VanDerWaalsContact O-N 3.15Å; L339-E343 VanDerWaalsContact CA-OE2 3.29Å; L339-E343 WeakPolarHBondContact CA-OE2 3.22Å; L339-E343 HydrophobicContact CB-CB 4.12Å; L339-E343 HydrophobicContact CD2-CB 4.13Å; L339-L344 HydrophobicContact CB-CD2 3.96Å; L339-L344 HydrophobicContact CB-CG 3.81Å; L339-L344 HydrophobicContact CD1-CD2 3.72Å; L339-L344 HydrophobicContact CD1-CG 4.36Å; L339-L344 HydrophobicContact CG-CD2 4.47Å; L339-I347 HydrophobicContact CD1-CD1 3.5Å; L339-K380 PolarHBondContact O-NZ 3.08Å | ||
| 340 | C | 92.2 | Very high | 90.3 | Very high | 15 Ų | 15 | 43 Ų | 43 | 10% | 0.101 | 22% | 0.221 | C | C | . | . | trans | -81.6 | 177.9 | 172.9 | 73.7 | 0 | 0 | 0 | 0 | 112 | T302 E342 E343 L344 | T302-C340 HydrophobicContact CG2-CB 4.2Å; C340-E342 VanDerWaalsContact C-N 3.34Å; C340-E342 PolarHBondContact O-N 3.19Å; C340-E343 PolarHBondContact N-OE2 2.87Å; C340-E343 PolarHBondContact O-N 3.39Å; C340-E343 VanDerWaalsContact SG-CG 3.6Å; C340-L344 WeakPolarHBondContact O-CG 3.43Å; C340-L344 PolarHBondContact O-N 3.18Å; C340-L344 VanDerWaalsContact O-N 3.13Å | ||
| 341 | A | 94.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T302 P303 L344 A345 F381 I430 | T302-A341 PolarHBondContact OG1-N 3Å; P303-A341 HydrophobicContact CG-CB 3.59Å; A341-L344 PolarHBondContact O-N 3.35Å; A341-A345 WeakPolarHBondContact O-CB 3.43Å; A341-A345 PolarHBondContact O-N 3.14Å; A341-F381 HydrophobicContact CB-CD1 4.21Å; A341-F381 HydrophobicContact CB-CD2 4.01Å; A341-F381 HydrophobicContact CB-CE1 3.8Å; A341-F381 HydrophobicContact CB-CE2 3.59Å; A341-F381 HydrophobicContact CB-CG 4.31Å; A341-F381 HydrophobicContact CB-CZ 3.47Å; A341-F381 VanDerWaalsContact CB-CZ 3.47Å; A341-I430 HydrophobicContact CB-CD1 3.8Å; A341-I430 HydrophobicContact CB-CG2 4.43Å |
| 342 | E | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | -177.7 | -70.5 | 75.3 | -166.3 | 0 | 0 | 111.9 | Y228 I231 Q232 T302 C340 A345 I346 I430 | Y228-E342 HydrophobicContact CD1-CB 4.35Å; Y228-E342 HydrophobicContact CD1-CG 3.86Å; Y228-E342 WeakPolarHBondContact CD1-OE2 3.43Å; I231-E342 HydrophobicContact CB-CB 4.38Å; I231-E342 HydrophobicContact CB-CG 4.48Å; I231-E342 HydrophobicContact CD1-CB 4.31Å; I231-E342 HydrophobicContact CG2-CB 3.85Å; I231-E342 HydrophobicContact CG2-CG 4.3Å; Q232-E342 HydrophobicContact CG-CG 4.07Å; Q232-E342 PolarHBondContact NE2-OE1 3Å; T302-E342 WeakPolarHBondContact CB-OE2 3.33Å; T302-E342 PolarHBondContact OG1-OE2 3.46Å; C340-E342 VanDerWaalsContact C-N 3.34Å; C340-E342 PolarHBondContact O-N 3.19Å; E342-A345 PolarHBondContact O-N 3.46Å; E342-I346 WeakPolarHBondContact O-CG1 3.44Å; E342-I346 PolarHBondContact O-N 2.99Å; E342-I430 HydrophobicContact CG-CD1 4.03Å |
| 343 | E | 94.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 176.4 | -73.8 | 173.1 | 139.7 | 0 | 0 | 111.9 | L263 R291 L296 L339 C340 A345 I346 I347 | L263-E343 HydrophobicContact CD2-CB 4.03Å; L263-E343 HydrophobicContact CD2-CG 4.28Å; R291-E343 IonicContact CZ-OE1 3.35Å; R291-E343 IonicContact CZ-OE2 3.68Å; R291-E343 IonicContact NE-OE1 2.76Å; R291-E343 PolarHBondContact NE-OE1 3.46Å; R291-E343 IonicContact NE-OE2 2.73Å; R291-E343 VanDerWaalsContact NH2-CD 3.34Å; R291-E343 IonicContact NH2-OE1 3.1Å; R291-E343 PolarHBondContact NH2-OE1 2.88Å; R291-E343 VanDerWaalsContact NH2-OE1 3.13Å; R291-E343 IonicContact NH2-OE2 3.13Å; R291-E343 PolarHBondContact NH2-OE2 2.96Å; L296-E343 HydrophobicContact CD1-CG 4.06Å; L339-E343 VanDerWaalsContact CA-OE2 3.29Å; L339-E343 WeakPolarHBondContact CA-OE2 3.22Å; L339-E343 HydrophobicContact CB-CB 4.12Å; L339-E343 HydrophobicContact CD2-CB 4.13Å; C340-E343 PolarHBondContact N-OE2 2.87Å; C340-E343 PolarHBondContact O-N 3.39Å; C340-E343 VanDerWaalsContact SG-CG 3.6Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.15Å; E343-I346 WeakPolarHBondContact O-CB 3.49Å; E343-I346 PolarHBondContact O-N 3.39Å; E343-I347 PolarHBondContact O-N 3.06Å; E343-I347 VanDerWaalsContact O-N 3.12Å |
| 344 | L | 96.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.2 | -37.8 | 174.3 | -70.5 | 170.8 | 0 | 0 | 0 | 111.6 | L339 C340 A341 I346 I347 L348 L375 K380 F381 I384 | L339-L344 HydrophobicContact CB-CD2 3.96Å; L339-L344 HydrophobicContact CB-CG 3.81Å; L339-L344 HydrophobicContact CD1-CD2 3.72Å; L339-L344 HydrophobicContact CD1-CG 4.36Å; L339-L344 HydrophobicContact CG-CD2 4.47Å; C340-L344 WeakPolarHBondContact O-CG 3.43Å; C340-L344 PolarHBondContact O-N 3.18Å; C340-L344 VanDerWaalsContact O-N 3.13Å; A341-L344 PolarHBondContact O-N 3.35Å; L344-I346 VanDerWaalsContact C-N 3.34Å; L344-I347 PolarHBondContact O-N 3.24Å; L344-L348 PolarHBondContact O-N 3.45Å; L344-L375 HydrophobicContact CB-CD2 4.44Å; L344-L375 HydrophobicContact CD2-CD2 4.15Å; L344-L375 WeakPolarHBondContact O-CD2 3.42Å; L344-K380 HydrophobicContact CD1-CB 4.48Å; L344-K380 HydrophobicContact CD1-CD 4.38Å; L344-F381 HydrophobicContact CD1-CD2 3.87Å; L344-F381 HydrophobicContact CD1-CE2 3.98Å; L344-I384 HydrophobicContact CB-CD1 3.48Å; L344-I384 VanDerWaalsContact CB-CD1 3.48Å; L344-I384 HydrophobicContact CB-CG2 4.35Å; L344-I384 HydrophobicContact CD1-CD1 4.4Å |
| 345 | A | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.1 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L235 A341 E342 E343 L348 G349 I384 I430 C433 | L235-A345 HydrophobicContact CD1-CB 3.68Å; A341-A345 WeakPolarHBondContact O-CB 3.43Å; A341-A345 PolarHBondContact O-N 3.14Å; E342-A345 PolarHBondContact O-N 3.46Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.15Å; A345-L348 PolarHBondContact O-N 2.93Å; A345-G349 PolarHBondContact O-N 3.1Å; A345-I384 HydrophobicContact CB-CD1 4.45Å; A345-I430 HydrophobicContact CB-CD1 4Å; A345-I430 HydrophobicContact CB-CG1 4.33Å; A345-C433 HydrophobicContact CB-CB 4.18Å |
| 346 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 171 | -71.2 | 167.2 | 0 | 0 | 0 | 110.8 | I231 L235 A257 K258 S261 I265 E342 E343 L344 L348 G349 I350 | I231-I346 HydrophobicContact CD1-CD1 4.44Å; I231-I346 HydrophobicContact CG1-CD1 4.5Å; I231-I346 HydrophobicContact CG2-CD1 3.69Å; I231-I346 HydrophobicContact CG2-CG1 3.82Å; L235-I346 HydrophobicContact CD1-CG1 4.17Å; L235-I346 HydrophobicContact CD2-CG1 4.23Å; A257-I346 HydrophobicContact CB-CD1 4.31Å; A257-I346 HydrophobicContact CB-CG1 4.17Å; A257-I346 WeakPolarHBondContact O-CD1 3.33Å; K258-I346 HydrophobicContact CB-CG2 4.46Å; S261-I346 VanDerWaalsContact CB-CD1 3.49Å; S261-I346 VanDerWaalsContact OG-CD1 3.29Å; S261-I346 WeakPolarHBondContact OG-CD1 3.48Å; I265-I346 HydrophobicContact CD1-CG2 4.06Å; E342-I346 WeakPolarHBondContact O-CG1 3.44Å; E342-I346 PolarHBondContact O-N 2.99Å; E343-I346 WeakPolarHBondContact O-CB 3.49Å; E343-I346 PolarHBondContact O-N 3.39Å; L344-I346 VanDerWaalsContact C-N 3.34Å; I346-L348 VanDerWaalsContact C-N 3.29Å; I346-L348 PolarHBondContact O-N 3.08Å; I346-G349 PolarHBondContact O-N 3.26Å; I346-G349 VanDerWaalsContact O-N 3.17Å; I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.43Å; I346-I350 PolarHBondContact O-N 3.18Å |
| 347 | I | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -44 | 177.4 | -65.3 | 170.2 | 0 | 0 | 0 | 110.2 | L263 I265 L287 V289 L339 E343 L344 I350 C351 F371 L375 | L263-I347 HydrophobicContact CD2-CD1 4.41Å; L263-I347 HydrophobicContact CD2-CG1 4.22Å; I265-I347 HydrophobicContact CD1-CG1 3.64Å; I265-I347 HydrophobicContact CG1-CG1 4.25Å; L287-I347 HydrophobicContact CD2-CG2 3.81Å; V289-I347 HydrophobicContact CG1-CD1 4.26Å; V289-I347 HydrophobicContact CG2-CD1 4.15Å; L339-I347 HydrophobicContact CD1-CD1 3.5Å; E343-I347 PolarHBondContact O-N 3.06Å; E343-I347 VanDerWaalsContact O-N 3.12Å; L344-I347 PolarHBondContact O-N 3.24Å; I347-I350 PolarHBondContact O-N 2.84Å; I347-C351 VanDerWaalsContact O-CB 3.27Å; I347-C351 WeakPolarHBondContact O-CB 3.5Å; I347-C351 PolarHBondContact O-N 3.31Å; I347-F371 HydrophobicContact CG2-CD1 3.96Å; I347-L375 HydrophobicContact CB-CD2 3.93Å; I347-L375 HydrophobicContact CG2-CD1 4.48Å; I347-L375 HydrophobicContact CG2-CD2 3.76Å; I347-L375 HydrophobicContact CG2-CG 3.97Å |
| 348 | L | 97.7 | Very high | 93.3 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.7 | -179 | 61.3 | 0 | 0 | 0 | 112.6 | L344 A345 I346 C351 T352 L375 C434 | L344-L348 PolarHBondContact O-N 3.45Å; A345-L348 PolarHBondContact O-N 2.93Å; I346-L348 VanDerWaalsContact C-N 3.29Å; I346-L348 PolarHBondContact O-N 3.08Å; L348-C351 WeakPolarHBondContact O-CB 3.19Å; L348-C351 PolarHBondContact O-N 2.92Å; L348-T352 WeakPolarHBondContact O-CB 3.2Å; L348-T352 PolarHBondContact O-N 3Å; L348-T352 PolarHBondContact O-OG1 2.78Å; L348-L375 HydrophobicContact CB-CD1 4.1Å; L348-L375 HydrophobicContact CD1-CD1 3.94Å; L348-C434 HydrophobicContact CD2-CB 3.94Å |
| 349 | G | 97.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y239 A345 I346 T352 N353 | Y239-G349 VanDerWaalsContact OH-CA 3.3Å; Y239-G349 WeakPolarHBondContact OH-CA 3.26Å; Y239-G349 PolarHBondContact OH-N 3.49Å; A345-G349 PolarHBondContact O-N 3.1Å; I346-G349 PolarHBondContact O-N 3.26Å; I346-G349 VanDerWaalsContact O-N 3.17Å; G349-T352 PolarHBondContact O-N 3.48Å; G349-N353 WeakPolarHBondContact O-CB 3.48Å; G349-N353 PolarHBondContact O-N 3.04Å |
| 350 | I | 97 | Very high | 91.7 | Very high | 34 Ų | 34 | 31.5 Ų | 31.5 | 17% | 0.174 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 174.6 | -68.5 | 169 | 0 | 0 | 0 | 110.6 | K258 I265 I346 I347 T352 N353 F354 F371 | K258-I350 HydrophobicContact CD-CD1 4.25Å; I265-I350 HydrophobicContact CD1-CD1 3.53Å; I346-I350 HydrophobicContact CG2-CD1 3.73Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.43Å; I346-I350 PolarHBondContact O-N 3.18Å; I347-I350 PolarHBondContact O-N 2.84Å; I350-T352 VanDerWaalsContact C-N 3.35Å; I350-T352 PolarHBondContact O-N 2.99Å; I350-N353 PolarHBondContact O-N 2.99Å; I350-F354 WeakPolarHBondContact O-CB 3.47Å; I350-F354 PolarHBondContact O-N 3.32Å; I350-F371 HydrophobicContact CG2-CE1 3.93Å; I350-F371 HydrophobicContact CG2-CZ 4.09Å |
| 351 | C | 96.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | 174.8 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | I347 L348 F354 Q355 F371 L391 | I347-C351 VanDerWaalsContact O-CB 3.27Å; I347-C351 WeakPolarHBondContact O-CB 3.5Å; I347-C351 PolarHBondContact O-N 3.31Å; L348-C351 WeakPolarHBondContact O-CB 3.19Å; L348-C351 PolarHBondContact O-N 2.92Å; C351-F354 WeakPolarHBondContact O-CB 3.21Å; C351-F354 PolarHBondContact O-N 3.34Å; C351-Q355 PolarHBondContact O-N 3.43Å; C351-F371 HydrophobicContact CB-CB 3.82Å; C351-F371 HydrophobicContact CB-CD1 3.74Å; C351-F371 HydrophobicContact CB-CD2 4.44Å; C351-F371 HydrophobicContact CB-CE1 4.42Å; C351-F371 HydrophobicContact CB-CG 3.76Å; C351-F371 WeakPolarHBondContact SG-CB 3.45Å; C351-L391 WeakPolarHBondContact SG-CD2 3.5Å |
| 352 | T | 95.1 | Very high | 90.8 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | Y239 L242 L348 G349 I350 F354 Q355 K356 | Y239-T352 HydrophobicContact CD1-CG2 4.35Å; Y239-T352 HydrophobicContact CE1-CG2 4.05Å; L242-T352 HydrophobicContact CD1-CG2 4.18Å; L348-T352 WeakPolarHBondContact O-CB 3.2Å; L348-T352 PolarHBondContact O-N 3Å; L348-T352 PolarHBondContact O-OG1 2.78Å; G349-T352 PolarHBondContact O-N 3.48Å; I350-T352 VanDerWaalsContact C-N 3.35Å; I350-T352 PolarHBondContact O-N 2.99Å; T352-F354 VanDerWaalsContact C-N 3.32Å; T352-F354 PolarHBondContact O-N 3.12Å; T352-Q355 WeakPolarHBondContact O-CB 3.23Å; T352-Q355 PolarHBondContact O-N 2.99Å; T352-K356 VanDerWaalsContact O-CG 3.32Å; T352-K356 WeakPolarHBondContact O-CG 3.43Å; T352-K356 PolarHBondContact O-N 3.21Å |
| 353 | N | 94.3 | Very high | 90.4 | Very high | 23 Ų | 23 | 48.8 Ų | 48.8 | 12% | 0.123 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.5 | -41.4 | 174.4 | 178.1 | 79.5 | 0 | 0 | 0 | 111.6 | L242 L254 G349 I350 K356 N357 | L242-N353 HydrophobicContact CD1-CB 4.19Å; L242-N353 HydrophobicContact CD2-CB 4.43Å; L254-N353 HydrophobicContact CD1-CB 3.36Å; G349-N353 WeakPolarHBondContact O-CB 3.48Å; G349-N353 PolarHBondContact O-N 3.04Å; I350-N353 PolarHBondContact O-N 2.99Å; N353-K356 PolarHBondContact O-N 3.41Å; N353-N357 PolarHBondContact ND2-ND2 3.18Å; N353-N357 WeakPolarHBondContact O-CB 3.35Å; N353-N357 PolarHBondContact O-N 2.86Å; N353-N357 PolarHBondContact O-ND2 2.97Å; N353-N357 PolarHBondContact OD1-ND2 2.8Å |
| 354 | F | 92 | Very high | 90.2 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 20% | 0.197 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 175.4 | -170.4 | -95.4 | 0 | 0 | 0 | 111.2 | I350 C351 T352 K356 N357 N358 T364 E367 L368 | I350-F354 WeakPolarHBondContact O-CB 3.47Å; I350-F354 PolarHBondContact O-N 3.32Å; C351-F354 WeakPolarHBondContact O-CB 3.21Å; C351-F354 PolarHBondContact O-N 3.34Å; T352-F354 VanDerWaalsContact C-N 3.32Å; T352-F354 PolarHBondContact O-N 3.12Å; F354-K356 VanDerWaalsContact C-N 3.3Å; F354-K356 PolarHBondContact O-N 3.05Å; F354-N357 PolarHBondContact O-N 2.76Å; F354-N358 VanDerWaalsContact CD2-ND2 3.25Å; F354-N358 WeakPolarHBondContact CD2-ND2 3.45Å; F354-N358 VanDerWaalsContact CE2-ND2 3.3Å; F354-N358 WeakPolarHBondContact CE2-ND2 3.42Å; F354-N358 WeakPolarHBondContact O-CB 3.38Å; F354-N358 PolarHBondContact O-N 3.05Å; F354-N358 PolarHBondContact O-ND2 2.99Å; F354-T364 HydrophobicContact CD1-CG2 4.32Å; F354-T364 HydrophobicContact CE1-CG2 3.74Å; F354-E367 HydrophobicContact CE1-CB 3.77Å; F354-E367 WeakPolarHBondContact CE1-OE2 3.48Å; F354-E367 HydrophobicContact CZ-CB 4.14Å; F354-E367 HydrophobicContact CZ-CG 4.49Å; F354-E367 WeakPolarHBondContact CZ-OE2 3.43Å; F354-L368 HydrophobicContact CD1-CD2 3.82Å; F354-L368 HydrophobicContact CD1-CG 4.15Å |
| 355 | Q | 89.9 | Confident | 89.9 | Confident | 67 Ų | 67 | 52.5 Ų | 52.5 | 31% | 0.313 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 176.2 | -176.1 | -178.2 | 41.6 | 0 | 0 | 112.5 | C351 T352 L368 L391 | C351-Q355 PolarHBondContact O-N 3.43Å; T352-Q355 WeakPolarHBondContact O-CB 3.23Å; T352-Q355 PolarHBondContact O-N 2.99Å; Q355-L368 HydrophobicContact CB-CD1 4.06Å; Q355-L368 HydrophobicContact CB-CD2 3.88Å; Q355-L368 HydrophobicContact CG-CD1 4.01Å; Q355-L391 VanDerWaalsContact NE2-CD1 3.34Å |
| 356 | K | 86.3 | Confident | 89.6 | Confident | 111 Ų | 111 | 55.1 Ų | 55.1 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -79.4 | -29.2 | -175.9 | -68 | -64.8 | -176.2 | 179.8 | 0 | 113.9 | L242 Y247 T352 N353 F354 | L242-K356 HydrophobicContact CD2-CB 4.34Å; Y247-K356 HydrophobicContact CE1-CB 4.17Å; T352-K356 VanDerWaalsContact O-CG 3.32Å; T352-K356 WeakPolarHBondContact O-CG 3.43Å; T352-K356 PolarHBondContact O-N 3.21Å; N353-K356 PolarHBondContact O-N 3.41Å; F354-K356 VanDerWaalsContact C-N 3.3Å; F354-K356 PolarHBondContact O-N 3.05Å |
| 357 | N | 83.5 | Confident | 89.5 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 26% | 0.257 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -95.4 | -6.6 | -177.8 | -68.9 | -63.1 | 0 | 0 | 0 | 114.2 | Y247 N353 F354 | Y247-N357 WeakPolarHBondContact CB-OD1 3.46Å; Y247-N357 WeakPolarHBondContact CD1-OD1 3.38Å; N353-N357 PolarHBondContact ND2-ND2 3.18Å; N353-N357 WeakPolarHBondContact O-CB 3.35Å; N353-N357 PolarHBondContact O-N 2.86Å; N353-N357 PolarHBondContact O-ND2 2.97Å; N353-N357 PolarHBondContact OD1-ND2 2.8Å; F354-N357 PolarHBondContact O-N 2.76Å |
| 358 | N | 82.6 | Confident | 89.4 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 31% | 0.31 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -114.5 | 146.1 | -179 | -69.8 | -83.4 | 0 | 0 | 0 | 111.3 | F354 T364 | F354-N358 VanDerWaalsContact CD2-ND2 3.25Å; F354-N358 WeakPolarHBondContact CD2-ND2 3.45Å; F354-N358 VanDerWaalsContact CE2-ND2 3.3Å; F354-N358 WeakPolarHBondContact CE2-ND2 3.42Å; F354-N358 WeakPolarHBondContact O-CB 3.38Å; F354-N358 PolarHBondContact O-N 3.05Å; F354-N358 PolarHBondContact O-ND2 2.99Å; N358-T364 HydrophobicContact CB-CG2 3.65Å |
| 359 | P | 74.1 | Confident | 89.3 | Confident | 94 Ų | 94 | 57.3 Ų | 57.3 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | trans | -65.6 | 152.4 | 178.1 | 28.7 | -35.1 | 0 | 0 | 0 | 111.2 | H361 T364 | P359-H361 PolarHBondContact O-N 3.31Å; P359-T364 PolarHBondContact O-OG1 2.72Å | ||
| 360 | V | 75.8 | Confident | 89.2 | Confident | 137 Ų | 137 | 57.7 Ų | 57.7 | 83% | 0.83 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -69.7 | 98.4 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 361 | H | 81.1 | Confident | 89.2 | Confident | 113 Ų | 113 | 56.6 Ų | 56.6 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | trans | -139.3 | 152 | -179.4 | -175.2 | -102.6 | 0 | 0 | 0 | 110.2 | P359 L363 T364 E365 | P359-H361 PolarHBondContact O-N 3.31Å; H361-L363 WeakPolarHBondContact ND1-CB 3.32Å; H361-L363 PolarHBondContact ND1-N 2.97Å; H361-L363 PolarHBondContact O-N 2.94Å; H361-L363 VanDerWaalsContact O-N 3.16Å; H361-T364 WeakPolarHBondContact O-CA 3.33Å; H361-T364 WeakPolarHBondContact O-CB 3.39Å; H361-T364 PolarHBondContact O-N 3.28Å; H361-E365 PolarHBondContact O-N 2.84Å | ||
| 362 | K | 84.7 | Confident | 89.1 | Confident | 168 Ų | 168 | 56.6 Ų | 56.6 | 73% | 0.73 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -56.4 | -34.7 | -178.1 | -69.9 | -174.9 | 177.8 | -179.5 | 0 | 113.6 | E366 | K362-E366 PolarHBondContact O-N 2.81Å |
| 363 | L | 87.9 | Confident | 89.1 | Confident | 97 Ų | 97 | 58.3 Ų | 58.3 | 51% | 0.508 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -51.1 | 175.1 | -178.1 | 62.1 | 0 | 0 | 0 | 110.6 | L285 H361 E365 E366 E367 | L285-L363 HydrophobicContact CD1-CD1 4.34Å; H361-L363 WeakPolarHBondContact ND1-CB 3.32Å; H361-L363 PolarHBondContact ND1-N 2.97Å; H361-L363 PolarHBondContact O-N 2.94Å; H361-L363 VanDerWaalsContact O-N 3.16Å; L363-E365 VanDerWaalsContact C-N 3.25Å; L363-E365 PolarHBondContact O-N 3.48Å; L363-E366 PolarHBondContact O-N 3.07Å; L363-E367 WeakPolarHBondContact O-CG 3.43Å; L363-E367 PolarHBondContact O-N 3.06Å |
| 364 | T | 88.8 | Confident | 89.1 | Confident | 12 Ų | 12 | 57.8 Ų | 57.8 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 177.3 | -51 | 0 | 0 | 0 | 0 | 112.1 | F354 N358 P359 H361 E367 L368 | F354-T364 HydrophobicContact CD1-CG2 4.32Å; F354-T364 HydrophobicContact CE1-CG2 3.74Å; N358-T364 HydrophobicContact CB-CG2 3.65Å; P359-T364 PolarHBondContact O-OG1 2.72Å; H361-T364 WeakPolarHBondContact O-CA 3.33Å; H361-T364 WeakPolarHBondContact O-CB 3.39Å; H361-T364 PolarHBondContact O-N 3.28Å; T364-E367 VanDerWaalsContact CA-OE2 3.3Å; T364-E367 WeakPolarHBondContact CA-OE2 3.2Å; T364-E367 PolarHBondContact O-N 2.85Å; T364-L368 HydrophobicContact CG2-CD1 4.3Å; T364-L368 WeakPolarHBondContact O-CB 3.35Å; T364-L368 VanDerWaalsContact O-CG 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.17Å; T364-L368 PolarHBondContact O-N 3Å |
| 365 | E | 91.4 | Very high | 89.2 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 172.9 | -69.8 | 175.8 | 168.9 | 0 | 0 | 112.4 | H361 L363 L368 L369 L395 | H361-E365 PolarHBondContact O-N 2.84Å; L363-E365 VanDerWaalsContact C-N 3.25Å; L363-E365 PolarHBondContact O-N 3.48Å; E365-L368 PolarHBondContact O-N 3.02Å; E365-L369 VanDerWaalsContact O-CG 3.31Å; E365-L369 WeakPolarHBondContact O-CG 3.48Å; E365-L369 PolarHBondContact O-N 3.45Å; E365-L395 HydrophobicContact CB-CD2 4.28Å; E365-L395 HydrophobicContact CG-CD2 4.2Å |
| 366 | E | 91.4 | Very high | 89.5 | Confident | 55 Ų | 55 | 53.6 Ų | 53.6 | 26% | 0.257 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.6 | -35.1 | 176.8 | -70.1 | -65.7 | 137.5 | 0 | 0 | 112.4 | R274 L285 K362 L363 L369 A370 R402 | R274-E366 IonicContact CZ-OE2 3.55Å; R274-E366 VanDerWaalsContact CZ-OE2 3.25Å; R274-E366 IonicContact NH1-OE2 2.7Å; R274-E366 PolarHBondContact NH1-OE2 2.71Å; R274-E366 IonicContact NH2-OE1 3.85Å; R274-E366 IonicContact NH2-OE2 2.87Å; R274-E366 PolarHBondContact NH2-OE2 3.05Å; L285-E366 HydrophobicContact CD1-CB 4.35Å; K362-E366 PolarHBondContact O-N 2.81Å; L363-E366 PolarHBondContact O-N 3.07Å; E366-L369 PolarHBondContact O-N 2.71Å; E366-A370 PolarHBondContact O-N 3.02Å; E366-A370 VanDerWaalsContact O-N 3.16Å; E366-R402 IonicContact OE1-NH2 2.75Å |
| 367 | E | 94.7 | Very high | 89.8 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 16% | 0.159 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 172.8 | -64 | 173.9 | 128.4 | 0 | 0 | 110.9 | L267 L285 F354 L363 T364 L369 A370 F371 | L267-E367 HydrophobicContact CD2-CB 4.15Å; L267-E367 HydrophobicContact CD2-CG 3.64Å; L267-E367 WeakPolarHBondContact CD2-OE1 3.3Å; L285-E367 HydrophobicContact CD1-CG 4Å; F354-E367 HydrophobicContact CE1-CB 3.77Å; F354-E367 WeakPolarHBondContact CE1-OE2 3.48Å; F354-E367 HydrophobicContact CZ-CB 4.14Å; F354-E367 HydrophobicContact CZ-CG 4.49Å; F354-E367 WeakPolarHBondContact CZ-OE2 3.43Å; L363-E367 WeakPolarHBondContact O-CG 3.43Å; L363-E367 PolarHBondContact O-N 3.06Å; T364-E367 VanDerWaalsContact CA-OE2 3.3Å; T364-E367 WeakPolarHBondContact CA-OE2 3.2Å; T364-E367 PolarHBondContact O-N 2.85Å; E367-L369 VanDerWaalsContact C-N 3.3Å; E367-L369 PolarHBondContact O-N 3.5Å; E367-A370 WeakPolarHBondContact O-CB 3.48Å; E367-A370 PolarHBondContact O-N 2.99Å; E367-A370 VanDerWaalsContact O-N 3.14Å; E367-F371 VanDerWaalsContact O-CD2 3.3Å; E367-F371 WeakPolarHBondContact O-CD2 3.44Å; E367-F371 PolarHBondContact O-N 3.38Å |
| 368 | L | 95.5 | Very high | 90.2 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.1 | -35.4 | 175.1 | -70 | 170.7 | 0 | 0 | 0 | 112.2 | F354 Q355 T364 E365 A370 F371 T372 L395 | F354-L368 HydrophobicContact CD1-CD2 3.82Å; F354-L368 HydrophobicContact CD1-CG 4.15Å; Q355-L368 HydrophobicContact CB-CD1 4.06Å; Q355-L368 HydrophobicContact CB-CD2 3.88Å; Q355-L368 HydrophobicContact CG-CD1 4.01Å; T364-L368 HydrophobicContact CG2-CD1 4.3Å; T364-L368 WeakPolarHBondContact O-CB 3.35Å; T364-L368 VanDerWaalsContact O-CG 3.23Å; T364-L368 WeakPolarHBondContact O-CG 3.17Å; T364-L368 PolarHBondContact O-N 3Å; E365-L368 PolarHBondContact O-N 3.02Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.26Å; L368-F371 WeakPolarHBondContact O-CB 3.21Å; L368-F371 PolarHBondContact O-N 2.98Å; L368-T372 PolarHBondContact O-N 2.86Å; L368-L395 HydrophobicContact CB-CD1 3.65Å; L368-L395 HydrophobicContact CB-CD2 3.99Å; L368-L395 HydrophobicContact CB-CG 4.49Å; L368-L395 HydrophobicContact CD1-CD2 3.92Å |
| 369 | L | 94.7 | Very high | 90.6 | Very high | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.9 | -35.3 | 174.3 | -78 | 169.8 | 0 | 0 | 0 | 112 | E365 E366 E367 T372 S373 R392 L395 E396 | E365-L369 VanDerWaalsContact O-CG 3.31Å; E365-L369 WeakPolarHBondContact O-CG 3.48Å; E365-L369 PolarHBondContact O-N 3.45Å; E366-L369 PolarHBondContact O-N 2.71Å; E367-L369 VanDerWaalsContact C-N 3.3Å; E367-L369 PolarHBondContact O-N 3.5Å; L369-T372 WeakPolarHBondContact CA-OG1 3.46Å; L369-T372 PolarHBondContact O-N 3.35Å; L369-T372 PolarHBondContact O-OG1 3.28Å; L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-N 3.5Å; L369-S373 PolarHBondContact O-OG 3.1Å; L369-R392 HydrophobicContact CD2-CG 4.43Å; L369-L395 HydrophobicContact CD2-CB 3.89Å; L369-L395 HydrophobicContact CD2-CD1 3.9Å; L369-L395 HydrophobicContact CG-CB 4.17Å; L369-L395 HydrophobicContact CG-CD1 3.95Å; L369-E396 HydrophobicContact CD2-CG 4.44Å |
| 370 | A | 95.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L267 E366 E367 L368 S373 C374 | L267-A370 HydrophobicContact CD1-CB 3.96Å; E366-A370 PolarHBondContact O-N 3.02Å; E366-A370 VanDerWaalsContact O-N 3.16Å; E367-A370 WeakPolarHBondContact O-CB 3.48Å; E367-A370 PolarHBondContact O-N 2.99Å; E367-A370 VanDerWaalsContact O-N 3.14Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.26Å; A370-S373 PolarHBondContact O-N 3.37Å; A370-C374 WeakPolarHBondContact O-CB 3.38Å; A370-C374 PolarHBondContact O-N 3.33Å |
| 371 | F | 96.8 | Very high | 92.5 | Very high | 12 Ų | 12 | 40.8 Ų | 40.8 | 5% | 0.053 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -48.6 | 172.8 | -76.2 | -85.6 | 0 | 0 | 0 | 112.1 | I265 L287 I347 I350 C351 E367 L368 S373 C374 L375 | I265-F371 HydrophobicContact CG2-CE1 4.26Å; L287-F371 HydrophobicContact CD1-CD1 4.04Å; L287-F371 HydrophobicContact CD1-CE1 3.67Å; L287-F371 HydrophobicContact CD1-CE2 4.26Å; L287-F371 HydrophobicContact CD1-CG 4.48Å; L287-F371 HydrophobicContact CD1-CZ 3.78Å; L287-F371 HydrophobicContact CD2-CD1 3.68Å; L287-F371 HydrophobicContact CD2-CE1 3.89Å; L287-F371 HydrophobicContact CD2-CG 4.43Å; L287-F371 HydrophobicContact CG-CE1 4.47Å; I347-F371 HydrophobicContact CG2-CD1 3.96Å; I350-F371 HydrophobicContact CG2-CE1 3.93Å; I350-F371 HydrophobicContact CG2-CZ 4.09Å; C351-F371 HydrophobicContact CB-CB 3.82Å; C351-F371 HydrophobicContact CB-CD1 3.74Å; C351-F371 HydrophobicContact CB-CD2 4.44Å; C351-F371 HydrophobicContact CB-CE1 4.42Å; C351-F371 HydrophobicContact CB-CG 3.76Å; C351-F371 WeakPolarHBondContact SG-CB 3.45Å; E367-F371 VanDerWaalsContact O-CD2 3.3Å; E367-F371 WeakPolarHBondContact O-CD2 3.44Å; E367-F371 PolarHBondContact O-N 3.38Å; L368-F371 WeakPolarHBondContact O-CB 3.21Å; L368-F371 PolarHBondContact O-N 2.98Å; F371-S373 VanDerWaalsContact C-N 3.3Å; F371-S373 PolarHBondContact O-N 3.21Å; F371-C374 WeakPolarHBondContact O-CB 3.43Å; F371-C374 PolarHBondContact O-N 3.15Å; F371-L375 WeakPolarHBondContact O-CG 3.34Å; F371-L375 PolarHBondContact O-N 3.32Å |
| 372 | T | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -37.9 | -180 | 60.7 | 0 | 0 | 0 | 0 | 112.2 | L368 L369 L375 L376 L391 R392 L395 | L368-T372 PolarHBondContact O-N 2.86Å; L369-T372 WeakPolarHBondContact CA-OG1 3.46Å; L369-T372 PolarHBondContact O-N 3.35Å; L369-T372 PolarHBondContact O-OG1 3.28Å; T372-L375 PolarHBondContact O-N 2.73Å; T372-L376 WeakPolarHBondContact O-CB 3.45Å; T372-L376 WeakPolarHBondContact O-CG 3.39Å; T372-L376 PolarHBondContact O-N 3.41Å; T372-L391 HydrophobicContact CG2-CB 4.04Å; T372-L391 HydrophobicContact CG2-CD2 3.69Å; T372-L391 HydrophobicContact CG2-CG 3.74Å; T372-R392 HydrophobicContact CG2-CB 4.45Å; T372-L395 HydrophobicContact CG2-CD1 4.17Å |
| 373 | S | 93.9 | Very high | 93.8 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 42% | 0.42 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 177.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | L369 A370 F371 L376 S377 | L369-S373 WeakPolarHBondContact O-CB 3.48Å; L369-S373 PolarHBondContact O-N 3.5Å; L369-S373 PolarHBondContact O-OG 3.1Å; A370-S373 PolarHBondContact O-N 3.37Å; F371-S373 VanDerWaalsContact C-N 3.3Å; F371-S373 PolarHBondContact O-N 3.21Å; S373-L376 PolarHBondContact O-N 2.92Å; S373-S377 PolarHBondContact O-N 3.44Å; S373-S377 VanDerWaalsContact O-N 3.12Å |
| 374 | C | 94.4 | Very high | 94.2 | Very high | 11 Ų | 11 | 23.4 Ų | 23.4 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.3 | -53.2 | 173 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L287 M336 A370 F371 L376 S377 | L287-C374 HydrophobicContact CB-CB 4.01Å; L287-C374 HydrophobicContact CD2-CB 4.01Å; M336-C374 PolarHBondContact SD-SG 3.33Å; A370-C374 WeakPolarHBondContact O-CB 3.38Å; A370-C374 PolarHBondContact O-N 3.33Å; F371-C374 WeakPolarHBondContact O-CB 3.43Å; F371-C374 PolarHBondContact O-N 3.15Å; C374-L376 PolarHBondContact O-N 3.31Å; C374-S377 WeakPolarHBondContact O-CB 3.26Å; C374-S377 PolarHBondContact O-N 2.94Å; C374-S377 PolarHBondContact O-OG 3.35Å |
| 375 | L | 95.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 23.5 Ų | 23.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 179.5 | -69.4 | 170 | 0 | 0 | 0 | 112.8 | L344 I347 L348 F371 T372 S377 Q378 I384 A388 | L344-L375 HydrophobicContact CB-CD2 4.44Å; L344-L375 HydrophobicContact CD2-CD2 4.15Å; L344-L375 WeakPolarHBondContact O-CD2 3.42Å; I347-L375 HydrophobicContact CB-CD2 3.93Å; I347-L375 HydrophobicContact CG2-CD1 4.48Å; I347-L375 HydrophobicContact CG2-CD2 3.76Å; I347-L375 HydrophobicContact CG2-CG 3.97Å; L348-L375 HydrophobicContact CB-CD1 4.1Å; L348-L375 HydrophobicContact CD1-CD1 3.94Å; F371-L375 WeakPolarHBondContact O-CG 3.34Å; F371-L375 PolarHBondContact O-N 3.32Å; T372-L375 PolarHBondContact O-N 2.73Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.23Å; L375-Q378 PolarHBondContact O-N 3.41Å; L375-I384 HydrophobicContact CD2-CG2 4.06Å; L375-A388 HydrophobicContact CB-CB 3.96Å; L375-A388 HydrophobicContact CD1-CB 4.09Å |
| 376 | L | 94.8 | Very high | 94.8 | Very high | 18 Ų | 18 | 20.4 Ų | 20.4 | 9% | 0.094 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.8 | -14.1 | -178.4 | -65.8 | 174.2 | 0 | 0 | 0 | 113.8 | T372 S373 C374 Q378 Q385 A388 L389 | T372-L376 WeakPolarHBondContact O-CB 3.45Å; T372-L376 WeakPolarHBondContact O-CG 3.39Å; T372-L376 PolarHBondContact O-N 3.41Å; S373-L376 PolarHBondContact O-N 2.92Å; C374-L376 PolarHBondContact O-N 3.31Å; L376-Q378 VanDerWaalsContact C-N 3.28Å; L376-Q385 HydrophobicContact CD2-CG 4.34Å; L376-A388 HydrophobicContact CD2-CB 3.9Å; L376-A388 HydrophobicContact CG-CB 4.14Å; L376-L389 HydrophobicContact CD1-CD2 3.94Å; L376-L389 HydrophobicContact CD2-CD2 3.65Å; L376-L389 HydrophobicContact CD2-CG 3.78Å; L376-L389 HydrophobicContact CG-CD2 4.48Å |
| 377 | S | 92.6 | Very high | 95 | Very high | 74 Ų | 74 | 18.2 Ų | 18.2 | 52% | 0.517 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -73.7 | -18.2 | 174.7 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | M336 S373 C374 L375 P379 | M336-S377 WeakPolarHBondContact CE-OG 3.37Å; S373-S377 PolarHBondContact O-N 3.44Å; S373-S377 VanDerWaalsContact O-N 3.12Å; C374-S377 WeakPolarHBondContact O-CB 3.26Å; C374-S377 PolarHBondContact O-N 2.94Å; C374-S377 PolarHBondContact O-OG 3.35Å; L375-S377 VanDerWaalsContact C-N 3.26Å; L375-S377 PolarHBondContact O-N 3.23Å; S377-P379 WeakPolarHBondContact O-CD 3.28Å |
| 378 | Q | 92.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 16.6 Ų | 16.6 | 13% | 0.126 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -122.6 | 75 | 174.3 | -72 | -171 | 15.8 | 0 | 0 | 111 | M336 P337 L375 L376 K380 | M336-Q378 HydrophobicContact CE-CB 4.21Å; M336-Q378 HydrophobicContact CE-CG 3.44Å; M336-Q378 VanDerWaalsContact CE-CG 3.44Å; P337-Q378 PolarHBondContact O-NE2 3.04Å; L375-Q378 PolarHBondContact O-N 3.41Å; L376-Q378 VanDerWaalsContact C-N 3.28Å; Q378-K380 PolarHBondContact O-N 2.84Å |
| 379 | P | 92.8 | Very high | 95.2 | Very high | 47 Ų | 47 | 16.3 Ų | 16.3 | 31% | 0.305 | 10% | 0.099 | S | C | . | . | trans | -70.8 | 93.7 | 179.2 | 30.7 | -34.7 | 0 | 0 | 0 | 110.1 | L311 S377 Q385 | L311-P379 VanDerWaalsContact CD1-C 3.43Å; L311-P379 HydrophobicContact CD1-CB 3.92Å; L311-P379 WeakPolarHBondContact CD1-O 3.43Å; S377-P379 WeakPolarHBondContact O-CD 3.28Å; P379-Q385 VanDerWaalsContact CB-OE1 3.28Å | ||
| 380 | K | 93.3 | Very high | 95.3 | Very high | 28 Ų | 28 | 16.2 Ų | 16.2 | 12% | 0.122 | 10% | 0.098 | C | C | . | . | trans | -123.4 | -32.7 | -176.5 | -69 | -174.4 | 180 | -173.8 | 0 | 114.9 | P305 T306 D338 L339 L344 Q378 | P305-K380 CarbonylContact C-O 3.55Å; P305-K380 WeakPolarHBondContact CA-O 3.37Å; P305-K380 HydrophobicContact CB-CB 4.15Å; P305-K380 HydrophobicContact CB-CG 4.33Å; P305-K380 HydrophobicContact CG-CD 4.37Å; T306-K380 WeakPolarHBondContact CB-O 3.44Å; T306-K380 PolarHBondContact N-O 3.34Å; D338-K380 VanDerWaalsContact OD1-CE 3.25Å; D338-K380 WeakPolarHBondContact OD1-CE 3.48Å; D338-K380 IonicContact OD1-NZ 2.64Å; D338-K380 PolarHBondContact OD1-NZ 3.23Å; D338-K380 IonicContact OD2-NZ 3.92Å; D338-K380 PolarHBondContact OD2-NZ 3.43Å; L339-K380 PolarHBondContact O-NZ 3.08Å; L344-K380 HydrophobicContact CD1-CB 4.48Å; L344-K380 HydrophobicContact CD1-CD 4.38Å; Q378-K380 PolarHBondContact O-N 2.84Å | ||
| 381 | F | 95.4 | Very high | 95.3 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | trans | -131.9 | 129.9 | -171 | -58.1 | -74.2 | 0 | 0 | 0 | 110.6 | P303 A341 L344 A383 I384 Q385 | P303-F381 HydrophobicContact CB-CE1 4.42Å; P303-F381 HydrophobicContact CG-CE1 4.07Å; P303-F381 VanDerWaalsContact O-CE1 3.3Å; P303-F381 WeakPolarHBondContact O-CE1 3.46Å; A341-F381 HydrophobicContact CB-CD1 4.21Å; A341-F381 HydrophobicContact CB-CD2 4.01Å; A341-F381 HydrophobicContact CB-CE1 3.8Å; A341-F381 HydrophobicContact CB-CE2 3.59Å; A341-F381 HydrophobicContact CB-CG 4.31Å; A341-F381 HydrophobicContact CB-CZ 3.47Å; A341-F381 VanDerWaalsContact CB-CZ 3.47Å; L344-F381 HydrophobicContact CD1-CD2 3.87Å; L344-F381 HydrophobicContact CD1-CE2 3.98Å; F381-A383 PolarHBondContact O-N 2.99Å; F381-I384 HydrophobicContact CB-CB 4.28Å; F381-I384 HydrophobicContact CB-CD1 4.07Å; F381-I384 HydrophobicContact CB-CG1 4.12Å; F381-I384 HydrophobicContact CD2-CD1 3.93Å; F381-I384 HydrophobicContact CG-CD1 4.32Å; F381-I384 PolarHBondContact O-N 3.29Å; F381-Q385 WeakPolarHBondContact O-CB 3.36Å; F381-Q385 PolarHBondContact O-N 2.88Å | ||
| 382 | W | 96 | Very high | 95.2 | Very high | 7 Ų | 7 | 16.4 Ų | 16.4 | 3% | 0.027 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -54.3 | -51.7 | -175.7 | -176.7 | 94 | 0 | 0 | 0 | 112.4 | T110 L311 I384 Q385 T386 Q416 R427 V436 | T110-W382 HydrophobicContact CG2-CH2 4.35Å; T110-W382 HydrophobicContact CG2-CZ3 3.95Å; L311-W382 HydrophobicContact CD2-CB 4.34Å; W382-I384 PolarHBondContact O-N 3.13Å; W382-Q385 PolarHBondContact O-N 3Å; W382-T386 HydrophobicContact CH2-CG2 4.26Å; W382-T386 WeakPolarHBondContact O-CB 3.18Å; W382-T386 PolarHBondContact O-N 2.87Å; W382-T386 PolarHBondContact O-OG1 3.25Å; W382-Q416 HydrophobicContact CZ2-CG 4.31Å; W382-R427 HydrophobicContact CD2-CB 3.86Å; W382-R427 HydrophobicContact CD2-CG 3.83Å; W382-R427 HydrophobicContact CE3-CB 3.81Å; W382-R427 HydrophobicContact CE3-CG 4.29Å; W382-R427 HydrophobicContact CG-CB 4.32Å; W382-R427 HydrophobicContact CG-CG 4.04Å; W382-R427 HydrophobicContact CZ2-CG 4.38Å; W382-R427 HydrophobicContact CZ3-CB 4.22Å; W382-V436 HydrophobicContact CH2-CG1 4.3Å; W382-V436 HydrophobicContact CZ3-CG1 4.18Å; W382-V436 HydrophobicContact CZ3-CG2 4.37Å |
| 383 | A | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.1 | -41.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F381 S387 C434 V436 | F381-A383 PolarHBondContact O-N 2.99Å; A383-S387 WeakPolarHBondContact O-CB 3.45Å; A383-S387 PolarHBondContact O-N 2.93Å; A383-S387 PolarHBondContact O-OG 3.46Å; A383-C434 HydrophobicContact CB-CB 3.88Å; A383-V436 HydrophobicContact CB-CG2 3.86Å |
| 384 | I | 96.8 | Very high | 95.2 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.026 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.2 | -46.1 | 178.4 | -60.8 | -178.3 | 0 | 0 | 0 | 110.4 | L344 A345 L375 F381 W382 S387 A388 I430 C434 | L344-I384 HydrophobicContact CB-CD1 3.48Å; L344-I384 VanDerWaalsContact CB-CD1 3.48Å; L344-I384 HydrophobicContact CB-CG2 4.35Å; L344-I384 HydrophobicContact CD1-CD1 4.4Å; A345-I384 HydrophobicContact CB-CD1 4.45Å; L375-I384 HydrophobicContact CD2-CG2 4.06Å; F381-I384 HydrophobicContact CB-CB 4.28Å; F381-I384 HydrophobicContact CB-CD1 4.07Å; F381-I384 HydrophobicContact CB-CG1 4.12Å; F381-I384 HydrophobicContact CD2-CD1 3.93Å; F381-I384 HydrophobicContact CG-CD1 4.32Å; F381-I384 PolarHBondContact O-N 3.29Å; W382-I384 PolarHBondContact O-N 3.13Å; I384-S387 PolarHBondContact O-N 3.36Å; I384-A388 VanDerWaalsContact O-CB 3.31Å; I384-A388 WeakPolarHBondContact O-CB 3.44Å; I384-A388 PolarHBondContact O-N 3.4Å; I384-I430 HydrophobicContact CD1-CG2 4.26Å; I384-I430 HydrophobicContact CG1-CG2 4.25Å; I384-C434 WeakPolarHBondContact CG1-SG 3.45Å |
| 385 | Q | 96 | Very high | 95.2 | Very high | 15 Ų | 15 | 18.3 Ų | 18.3 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | -179.9 | -176.8 | 156.9 | -10.3 | 0 | 0 | 111.6 | T312 L376 P379 F381 W382 S387 A388 L389 | T312-Q385 PolarHBondContact O-NE2 3.43Å; L376-Q385 HydrophobicContact CD2-CG 4.34Å; P379-Q385 VanDerWaalsContact CB-OE1 3.28Å; F381-Q385 WeakPolarHBondContact O-CB 3.36Å; F381-Q385 PolarHBondContact O-N 2.88Å; W382-Q385 PolarHBondContact O-N 3Å; Q385-S387 PolarHBondContact O-N 3.13Å; Q385-A388 PolarHBondContact O-N 3.41Å; Q385-L389 HydrophobicContact CG-CD1 3.86Å; Q385-L389 HydrophobicContact CG-CG 4.31Å; Q385-L389 WeakPolarHBondContact O-CB 3.49Å; Q385-L389 WeakPolarHBondContact O-CG 3.28Å; Q385-L389 PolarHBondContact O-N 2.95Å |
| 386 | T | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.012 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.9 | -50.3 | 174.4 | -65.4 | 0 | 0 | 0 | 0 | 110.9 | T312 W382 A388 L389 I390 L413 V436 | T312-T386 PolarHBondContact OG1-OG1 3.39Å; W382-T386 HydrophobicContact CH2-CG2 4.26Å; W382-T386 WeakPolarHBondContact O-CB 3.18Å; W382-T386 PolarHBondContact O-N 2.87Å; W382-T386 PolarHBondContact O-OG1 3.25Å; T386-A388 PolarHBondContact O-N 2.97Å; T386-L389 PolarHBondContact O-N 3.26Å; T386-I390 HydrophobicContact CG2-CD1 3.75Å; T386-I390 WeakPolarHBondContact O-CB 3.26Å; T386-I390 WeakPolarHBondContact O-CD1 3.49Å; T386-I390 WeakPolarHBondContact O-CG1 3.41Å; T386-I390 PolarHBondContact O-N 2.89Å; T386-L413 HydrophobicContact CG2-CD2 3.95Å; T386-V436 HydrophobicContact CG2-CG1 3.89Å |
| 387 | S | 96.7 | Very high | 94.7 | Very high | 10 Ų | 10 | 23.4 Ų | 23.4 | 7% | 0.07 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 178.8 | -67.5 | 0 | 0 | 0 | 0 | 113.2 | A383 I384 Q385 I390 L391 C434 | A383-S387 WeakPolarHBondContact O-CB 3.45Å; A383-S387 PolarHBondContact O-N 2.93Å; A383-S387 PolarHBondContact O-OG 3.46Å; I384-S387 PolarHBondContact O-N 3.36Å; Q385-S387 PolarHBondContact O-N 3.13Å; S387-I390 PolarHBondContact O-N 2.92Å; S387-L391 PolarHBondContact O-N 2.89Å; S387-C434 WeakPolarHBondContact CB-O 3.36Å; S387-C434 PolarHBondContact OG-O 2.82Å |
| 388 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L375 L376 I384 Q385 T386 L391 R392 | L375-A388 HydrophobicContact CB-CB 3.96Å; L375-A388 HydrophobicContact CD1-CB 4.09Å; L376-A388 HydrophobicContact CD2-CB 3.9Å; L376-A388 HydrophobicContact CG-CB 4.14Å; I384-A388 VanDerWaalsContact O-CB 3.31Å; I384-A388 WeakPolarHBondContact O-CB 3.44Å; I384-A388 PolarHBondContact O-N 3.4Å; Q385-A388 PolarHBondContact O-N 3.41Å; T386-A388 PolarHBondContact O-N 2.97Å; A388-L391 PolarHBondContact O-N 3.18Å; A388-R392 WeakPolarHBondContact O-CB 3.28Å; A388-R392 PolarHBondContact O-N 3.43Å |
| 389 | L | 97.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 176.1 | -70.4 | 172.3 | 0 | 0 | 0 | 111.1 | T312 N314 L376 Q385 T386 L391 R392 T393 Q409 L413 | T312-L389 HydrophobicContact CG2-CD1 3.8Å; N314-L389 HydrophobicContact CB-CD2 4.34Å; L376-L389 HydrophobicContact CD1-CD2 3.94Å; L376-L389 HydrophobicContact CD2-CD2 3.65Å; L376-L389 HydrophobicContact CD2-CG 3.78Å; L376-L389 HydrophobicContact CG-CD2 4.48Å; Q385-L389 HydrophobicContact CG-CD1 3.86Å; Q385-L389 HydrophobicContact CG-CG 4.31Å; Q385-L389 WeakPolarHBondContact O-CB 3.49Å; Q385-L389 WeakPolarHBondContact O-CG 3.28Å; Q385-L389 PolarHBondContact O-N 2.95Å; T386-L389 PolarHBondContact O-N 3.26Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 PolarHBondContact O-N 3.09Å; L389-R392 VanDerWaalsContact CD2-NH2 3.26Å; L389-R392 PolarHBondContact O-N 3.41Å; L389-T393 VanDerWaalsContact O-CG2 3.29Å; L389-T393 WeakPolarHBondContact O-CG2 3.43Å; L389-T393 PolarHBondContact O-N 3.47Å; L389-T393 PolarHBondContact O-OG1 2.98Å; L389-Q409 HydrophobicContact CB-CG 4.38Å; L389-Q409 HydrophobicContact CD2-CG 4.29Å; L389-L413 HydrophobicContact CB-CD1 4.03Å; L389-L413 HydrophobicContact CB-CD2 4.24Å; L389-L413 HydrophobicContact CD1-CD2 4.43Å |
| 390 | I | 96.2 | Very high | 94.1 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 176 | -71.4 | 168.4 | 0 | 0 | 0 | 110.5 | T386 S387 T393 K394 L413 P437 I442 | T386-I390 HydrophobicContact CG2-CD1 3.75Å; T386-I390 WeakPolarHBondContact O-CB 3.26Å; T386-I390 WeakPolarHBondContact O-CD1 3.49Å; T386-I390 WeakPolarHBondContact O-CG1 3.41Å; T386-I390 PolarHBondContact O-N 2.89Å; S387-I390 PolarHBondContact O-N 2.92Å; I390-T393 PolarHBondContact O-N 3.41Å; I390-T393 PolarHBondContact O-OG1 3.42Å; I390-K394 WeakPolarHBondContact O-CG 3.13Å; I390-K394 PolarHBondContact O-N 2.93Å; I390-L413 HydrophobicContact CG1-CD1 3.67Å; I390-L413 HydrophobicContact CG1-CD2 4.18Å; I390-L413 HydrophobicContact CG1-CG 4.48Å; I390-P437 HydrophobicContact CD1-CG 3.45Å; I390-P437 VanDerWaalsContact CD1-CG 3.45Å; I390-P437 HydrophobicContact CG2-CG 4.36Å; I390-I442 HydrophobicContact CD1-CD1 3.8Å; I390-I442 HydrophobicContact CD1-CG1 3.96Å |
| 391 | L | 95.6 | Very high | 94 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 176.2 | -179.4 | 57.3 | 0 | 0 | 0 | 111.6 | C351 Q355 T372 S387 A388 L389 T393 K394 L395 | C351-L391 WeakPolarHBondContact SG-CD2 3.5Å; Q355-L391 VanDerWaalsContact NE2-CD1 3.34Å; T372-L391 HydrophobicContact CG2-CB 4.04Å; T372-L391 HydrophobicContact CG2-CD2 3.69Å; T372-L391 HydrophobicContact CG2-CG 3.74Å; S387-L391 PolarHBondContact O-N 2.89Å; A388-L391 PolarHBondContact O-N 3.18Å; L389-L391 VanDerWaalsContact C-N 3.34Å; L389-L391 PolarHBondContact O-N 3.09Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.31Å; L391-K394 WeakPolarHBondContact O-CB 3.49Å; L391-K394 PolarHBondContact O-N 3.39Å; L391-K394 VanDerWaalsContact O-N 3.1Å; L391-L395 HydrophobicContact CD1-CD1 4.34Å; L391-L395 HydrophobicContact CD1-CG 4.34Å; L391-L395 HydrophobicContact CG-CD1 4.07Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 3.01Å; L391-L395 VanDerWaalsContact O-N 3.08Å |
| 392 | R | 95.8 | Very high | 93.9 | Very high | 10 Ų | 10 | 34 Ų | 34 | 4% | 0.038 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 177.4 | -173.8 | -179.9 | 69.1 | 178.7 | 1.2 | 111.9 | N314 L369 T372 A388 L389 K394 L395 E396 Q409 | N314-R392 VanDerWaalsContact OD1-CZ 3.23Å; N314-R392 PolarHBondContact OD1-NH1 3.15Å; N314-R392 PolarHBondContact OD1-NH2 2.7Å; L369-R392 HydrophobicContact CD2-CG 4.43Å; T372-R392 HydrophobicContact CG2-CB 4.45Å; A388-R392 WeakPolarHBondContact O-CB 3.28Å; A388-R392 PolarHBondContact O-N 3.43Å; L389-R392 VanDerWaalsContact CD2-NH2 3.26Å; L389-R392 PolarHBondContact O-N 3.41Å; R392-K394 VanDerWaalsContact C-N 3.27Å; R392-K394 PolarHBondContact O-N 3.43Å; R392-L395 PolarHBondContact O-N 3.02Å; R392-L395 VanDerWaalsContact O-N 3.12Å; R392-E396 HydrophobicContact CG-CG 4.22Å; R392-E396 WeakPolarHBondContact O-CB 3.24Å; R392-E396 WeakPolarHBondContact O-CG 3.29Å; R392-E396 PolarHBondContact O-N 3.27Å; R392-Q409 VanDerWaalsContact NH2-OE1 3.11Å |
| 393 | T | 95.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.1 | -35.7 | 178.1 | 59.5 | 0 | 0 | 0 | 0 | 112.4 | L389 I390 L391 E396 R397 A406 Q409 T410 Q445 | L389-T393 VanDerWaalsContact O-CG2 3.29Å; L389-T393 WeakPolarHBondContact O-CG2 3.43Å; L389-T393 PolarHBondContact O-N 3.47Å; L389-T393 PolarHBondContact O-OG1 2.98Å; I390-T393 PolarHBondContact O-N 3.41Å; I390-T393 PolarHBondContact O-OG1 3.42Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.31Å; T393-E396 PolarHBondContact O-N 3.08Å; T393-R397 PolarHBondContact O-N 2.72Å; T393-A406 HydrophobicContact CG2-CB 4.45Å; T393-A406 WeakPolarHBondContact CG2-O 3.14Å; T393-Q409 HydrophobicContact CG2-CB 3.7Å; T393-Q409 HydrophobicContact CG2-CG 3.63Å; T393-T410 WeakPolarHBondContact CB-OG1 3.25Å; T393-T410 WeakPolarHBondContact CG2-OG1 3.42Å; T393-Q445 PolarHBondContact OG1-NE2 2.97Å |
| 394 | K | 93.6 | Very high | 93.4 | Very high | 94 Ų | 94 | 40.7 Ų | 40.7 | 41% | 0.409 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -67.1 | -37.3 | 174 | -67.1 | 178.9 | -177 | 177.2 | 0 | 112.9 | I390 L391 R392 R397 | I390-K394 WeakPolarHBondContact O-CG 3.13Å; I390-K394 PolarHBondContact O-N 2.93Å; L391-K394 WeakPolarHBondContact O-CB 3.49Å; L391-K394 PolarHBondContact O-N 3.39Å; L391-K394 VanDerWaalsContact O-N 3.1Å; R392-K394 VanDerWaalsContact C-N 3.27Å; R392-K394 PolarHBondContact O-N 3.43Å; K394-R397 WeakPolarHBondContact O-CD 3.47Å; K394-R397 VanDerWaalsContact O-CG 3.29Å; K394-R397 WeakPolarHBondContact O-CG 3.31Å |
| 395 | L | 93.3 | Very high | 93.3 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.9 | -30.2 | 178.8 | -62.9 | 170.3 | 0 | 0 | 0 | 112 | E365 L368 L369 T372 L391 R392 | E365-L395 HydrophobicContact CB-CD2 4.28Å; E365-L395 HydrophobicContact CG-CD2 4.2Å; L368-L395 HydrophobicContact CB-CD1 3.65Å; L368-L395 HydrophobicContact CB-CD2 3.99Å; L368-L395 HydrophobicContact CB-CG 4.49Å; L368-L395 HydrophobicContact CD1-CD2 3.92Å; L369-L395 HydrophobicContact CD2-CB 3.89Å; L369-L395 HydrophobicContact CD2-CD1 3.9Å; L369-L395 HydrophobicContact CG-CB 4.17Å; L369-L395 HydrophobicContact CG-CD1 3.95Å; T372-L395 HydrophobicContact CG2-CD1 4.17Å; L391-L395 HydrophobicContact CD1-CD1 4.34Å; L391-L395 HydrophobicContact CD1-CG 4.34Å; L391-L395 HydrophobicContact CG-CD1 4.07Å; L391-L395 WeakPolarHBondContact O-CG 3.43Å; L391-L395 PolarHBondContact O-N 3.01Å; L391-L395 VanDerWaalsContact O-N 3.08Å; R392-L395 PolarHBondContact O-N 3.02Å; R392-L395 VanDerWaalsContact O-N 3.12Å |
| 396 | E | 92.6 | Very high | 93.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -88.3 | -12.5 | -175.9 | -70.6 | -172.8 | 167.1 | 0 | 0 | 114.5 | L369 R392 T393 G398 S399 R402 R405 A406 | L369-E396 HydrophobicContact CD2-CG 4.44Å; R392-E396 HydrophobicContact CG-CG 4.22Å; R392-E396 WeakPolarHBondContact O-CB 3.24Å; R392-E396 WeakPolarHBondContact O-CG 3.29Å; R392-E396 PolarHBondContact O-N 3.27Å; T393-E396 PolarHBondContact O-N 3.08Å; E396-G398 VanDerWaalsContact C-N 3.25Å; E396-G398 PolarHBondContact O-N 3.45Å; E396-S399 WeakPolarHBondContact O-CB 3.35Å; E396-S399 PolarHBondContact O-N 3.19Å; E396-R402 HydrophobicContact CB-CB 3.88Å; E396-R402 HydrophobicContact CG-CB 4Å; E396-R402 IonicContact OE1-NH1 3.26Å; E396-R405 VanDerWaalsContact CD-NH2 3.26Å; E396-R405 IonicContact OE1-CZ 2.81Å; E396-R405 IonicContact OE1-NE 2.78Å; E396-R405 IonicContact OE1-NH2 3.79Å; E396-R405 PolarHBondContact OE1-NH2 3.25Å; E396-R405 IonicContact OE2-CZ 3.69Å; E396-R405 IonicContact OE2-NE 2.99Å; E396-R405 PolarHBondContact OE2-NE 3.27Å; E396-R405 IonicContact OE2-NH2 3.93Å; E396-R405 PolarHBondContact OE2-NH2 3.37Å; E396-R405 VanDerWaalsContact OE2-NH2 3.15Å; E396-A406 HydrophobicContact CB-CB 3.99Å |
| 397 | R | 89 | Confident | 93.2 | Very high | 128 Ų | 128 | 42.7 Ų | 42.7 | 48% | 0.483 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -35.1 | -176 | 73.8 | -174.6 | 172.7 | 151.2 | -4.4 | 114.3 | T393 K394 S399 V403 L449 E452 | T393-R397 PolarHBondContact O-N 2.72Å; K394-R397 WeakPolarHBondContact O-CD 3.47Å; K394-R397 VanDerWaalsContact O-CG 3.29Å; K394-R397 WeakPolarHBondContact O-CG 3.31Å; R397-S399 VanDerWaalsContact C-N 3.3Å; R397-S399 PolarHBondContact O-N 3.22Å; R397-V403 WeakPolarHBondContact O-CG2 3.27Å; R397-L449 HydrophobicContact CB-CD1 3.6Å; R397-E452 IonicContact CZ-OE1 3.04Å; R397-E452 IonicContact NH1-OE1 2.61Å; R397-E452 PolarHBondContact NH1-OE1 3.24Å |
| 398 | G | 86.7 | Confident | 93.1 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 78% | 0.784 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | E396 | E396-G398 VanDerWaalsContact C-N 3.25Å; E396-G398 PolarHBondContact O-N 3.45Å |
| 399 | S | 89.6 | Confident | 93.1 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | trans | -96.4 | 115.7 | -174.2 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | E396 R397 R401 R402 V403 | E396-S399 WeakPolarHBondContact O-CB 3.35Å; E396-S399 PolarHBondContact O-N 3.19Å; R397-S399 VanDerWaalsContact C-N 3.3Å; R397-S399 PolarHBondContact O-N 3.22Å; S399-R401 PolarHBondContact O-N 3.49Å; S399-R401 VanDerWaalsContact O-N 3.08Å; S399-R402 PolarHBondContact O-N 3.12Å; S399-R402 PolarHBondContact OG-NE 3.37Å; S399-V403 WeakPolarHBondContact O-CB 3.41Å; S399-V403 PolarHBondContact O-N 3.38Å | ||
| 400 | T | 88.4 | Confident | 93.1 | Very high | 133 Ų | 133 | 46.9 Ų | 46.9 | 82% | 0.816 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -32.2 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 401 | R | 90.6 | Very high | 93 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 46% | 0.464 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -19 | 179.2 | -65.6 | -171.2 | 178 | 175.1 | -4.5 | 114.4 | L317 T321 V322 S399 | L317-R401 WeakPolarHBondContact CD1-O 3.48Å; T321-R401 PolarHBondContact OG1-NH1 3.17Å; V322-R401 HydrophobicContact CG2-CB 4.43Å; S399-R401 PolarHBondContact O-N 3.49Å; S399-R401 VanDerWaalsContact O-N 3.08Å |
| 402 | R | 92.6 | Very high | 93.1 | Very high | 40 Ų | 40 | 51 Ų | 51 | 15% | 0.151 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -14.7 | -175.4 | -59.4 | -178.7 | -78.2 | 174.7 | -9.5 | 113.3 | L317 E366 E396 S399 E404 R405 A406 | L317-R402 HydrophobicContact CD1-CB 4.3Å; L317-R402 HydrophobicContact CD1-CG 4Å; L317-R402 HydrophobicContact CD2-CG 4.43Å; E366-R402 IonicContact OE1-NH2 2.75Å; E396-R402 HydrophobicContact CB-CB 3.88Å; E396-R402 HydrophobicContact CG-CB 4Å; E396-R402 IonicContact OE1-NH1 3.26Å; S399-R402 PolarHBondContact O-N 3.12Å; S399-R402 PolarHBondContact OG-NE 3.37Å; R402-E404 VanDerWaalsContact C-N 3.29Å; R402-E404 PolarHBondContact O-N 3.03Å; R402-R405 WeakPolarHBondContact O-CB 3.25Å; R402-R405 PolarHBondContact O-N 2.86Å; R402-R405 VanDerWaalsContact O-N 3.09Å; R402-A406 PolarHBondContact O-N 3.4Å |
| 403 | V | 92.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 50.7 Ų | 50.7 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.9 | -36.2 | -177 | 70.3 | 0 | 0 | 0 | 0 | 113 | R397 S399 A406 M407 L449 L453 | R397-V403 WeakPolarHBondContact O-CG2 3.27Å; S399-V403 WeakPolarHBondContact O-CB 3.41Å; S399-V403 PolarHBondContact O-N 3.38Å; V403-A406 WeakPolarHBondContact O-CB 3.47Å; V403-A406 PolarHBondContact O-N 3.03Å; V403-M407 PolarHBondContact O-N 2.66Å; V403-L449 HydrophobicContact CG2-CD1 3.96Å; V403-L453 HydrophobicContact CB-CD2 4.42Å; V403-L453 HydrophobicContact CG1-CD2 3.93Å; V403-L453 HydrophobicContact CG2-CD1 4.31Å; V403-L453 HydrophobicContact CG2-CD2 3.6Å; V403-L453 HydrophobicContact CG2-CG 4.11Å |
| 404 | E | 90.8 | Very high | 93 | Very high | 132 Ų | 132 | 51 Ų | 51 | 62% | 0.617 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.4 | -38.1 | 176.5 | -68.1 | -172.8 | 175.3 | 0 | 0 | 112.8 | R402 A406 R408 | R402-E404 VanDerWaalsContact C-N 3.29Å; R402-E404 PolarHBondContact O-N 3.03Å; E404-A406 VanDerWaalsContact C-N 3.34Å; E404-R408 WeakPolarHBondContact O-CG 3.49Å; E404-R408 PolarHBondContact O-N 2.95Å; E404-R408 VanDerWaalsContact O-N 3.07Å; E404-R408 PolarHBondContact O-NE 2.62Å |
| 405 | R | 93.9 | Very high | 93 | Very high | 11 Ų | 11 | 50.9 Ų | 50.9 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 170.5 | 174.9 | 174.7 | 70 | 179.8 | 1.7 | 109.6 | L315 L317 N324 E396 R402 M407 R408 Q409 | L315-R405 VanDerWaalsContact O-CD 3.26Å; L315-R405 WeakPolarHBondContact O-CD 3.42Å; L317-R405 HydrophobicContact CD1-CB 3.82Å; N324-R405 PolarHBondContact OD1-NH1 2.94Å; E396-R405 VanDerWaalsContact CD-NH2 3.26Å; E396-R405 IonicContact OE1-CZ 2.81Å; E396-R405 IonicContact OE1-NE 2.78Å; E396-R405 IonicContact OE1-NH2 3.79Å; E396-R405 PolarHBondContact OE1-NH2 3.25Å; E396-R405 IonicContact OE2-CZ 3.69Å; E396-R405 IonicContact OE2-NE 2.99Å; E396-R405 PolarHBondContact OE2-NE 3.27Å; E396-R405 IonicContact OE2-NH2 3.93Å; E396-R405 PolarHBondContact OE2-NH2 3.37Å; E396-R405 VanDerWaalsContact OE2-NH2 3.15Å; R402-R405 WeakPolarHBondContact O-CB 3.25Å; R402-R405 PolarHBondContact O-N 2.86Å; R402-R405 VanDerWaalsContact O-N 3.09Å; R405-M407 VanDerWaalsContact C-N 3.29Å; R405-M407 PolarHBondContact O-N 3.18Å; R405-R408 PolarHBondContact O-N 3.25Å; R405-Q409 WeakPolarHBondContact O-CB 3.24Å; R405-Q409 PolarHBondContact O-N 3.37Å |
| 406 | A | 95.2 | Very high | 93 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.4 | -47.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | T393 E396 R402 V403 E404 Q409 T410 L449 | T393-A406 HydrophobicContact CG2-CB 4.45Å; T393-A406 WeakPolarHBondContact CG2-O 3.14Å; E396-A406 HydrophobicContact CB-CB 3.99Å; R402-A406 PolarHBondContact O-N 3.4Å; V403-A406 WeakPolarHBondContact O-CB 3.47Å; V403-A406 PolarHBondContact O-N 3.03Å; E404-A406 VanDerWaalsContact C-N 3.34Å; A406-Q409 PolarHBondContact O-N 2.9Å; A406-T410 PolarHBondContact O-N 3.47Å; A406-T410 PolarHBondContact O-OG1 2.68Å; A406-L449 HydrophobicContact CB-CD2 4.18Å |
| 407 | M | 94.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.9 | -51.7 | 178.9 | -176.2 | -158.8 | 70 | 0 | 0 | 112.9 | V403 R405 Q409 T410 Q411 L446 L449 L450 L453 | V403-M407 PolarHBondContact O-N 2.66Å; R405-M407 VanDerWaalsContact C-N 3.29Å; R405-M407 PolarHBondContact O-N 3.18Å; M407-Q409 PolarHBondContact O-N 3.36Å; M407-T410 PolarHBondContact O-N 2.7Å; M407-Q411 PolarHBondContact O-N 2.98Å; M407-L446 HydrophobicContact CG-CD1 4.39Å; M407-L449 HydrophobicContact CB-CD2 3.65Å; M407-L449 HydrophobicContact CB-CG 4.37Å; M407-L449 HydrophobicContact CG-CD2 4.33Å; M407-L450 HydrophobicContact CG-CD2 4.25Å; M407-L450 HydrophobicContact SD-CD2 3.74Å; M407-L453 HydrophobicContact CB-CD1 4.29Å; M407-L453 HydrophobicContact CG-CD1 4.3Å; M407-L453 HydrophobicContact SD-CD1 3.83Å |
| 408 | R | 94.8 | Very high | 93.3 | Very high | 98 Ų | 98 | 52.1 Ų | 52.1 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.7 | -36.2 | 178 | -69.1 | -179 | -69.5 | 159.9 | -1.5 | 111.5 | L315 E404 R405 Q411 A412 | L315-R408 HydrophobicContact CD1-CB 3.57Å; L315-R408 WeakPolarHBondContact CD1-O 3.32Å; E404-R408 WeakPolarHBondContact O-CG 3.49Å; E404-R408 PolarHBondContact O-N 2.95Å; E404-R408 VanDerWaalsContact O-N 3.07Å; E404-R408 PolarHBondContact O-NE 2.62Å; R405-R408 PolarHBondContact O-N 3.25Å; R408-Q411 PolarHBondContact O-N 3.44Å; R408-A412 PolarHBondContact O-N 3.33Å |
| 409 | Q | 97.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.5 | -42.4 | 178.6 | -176.9 | 67.8 | 75.1 | 0 | 0 | 111.4 | K313 L315 L389 R392 T393 R405 A406 M407 Q411 A412 L413 | K313-Q409 PolarHBondContact O-NE2 3.08Å; K313-Q409 PolarHBondContact O-OE1 3.45Å; L315-Q409 HydrophobicContact CD1-CB 4.34Å; L389-Q409 HydrophobicContact CB-CG 4.38Å; L389-Q409 HydrophobicContact CD2-CG 4.29Å; R392-Q409 VanDerWaalsContact NH2-OE1 3.11Å; T393-Q409 HydrophobicContact CG2-CB 3.7Å; T393-Q409 HydrophobicContact CG2-CG 3.63Å; R405-Q409 WeakPolarHBondContact O-CB 3.24Å; R405-Q409 PolarHBondContact O-N 3.37Å; A406-Q409 PolarHBondContact O-N 2.9Å; M407-Q409 PolarHBondContact O-N 3.36Å; Q409-Q411 VanDerWaalsContact C-N 3.31Å; Q409-A412 PolarHBondContact O-N 3.2Å; Q409-L413 HydrophobicContact CG-CD1 4.18Å; Q409-L413 WeakPolarHBondContact O-CD1 3.34Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.45Å |
| 410 | T | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -36 | 175.2 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | T393 A406 M407 L413 A414 I442 Q445 L446 | T393-T410 WeakPolarHBondContact CB-OG1 3.25Å; T393-T410 WeakPolarHBondContact CG2-OG1 3.42Å; A406-T410 PolarHBondContact O-N 3.47Å; A406-T410 PolarHBondContact O-OG1 2.68Å; M407-T410 PolarHBondContact O-N 2.7Å; T410-L413 PolarHBondContact O-N 3.34Å; T410-A414 PolarHBondContact O-N 2.88Å; T410-I442 HydrophobicContact CG2-CG2 4.34Å; T410-Q445 HydrophobicContact CG2-CB 4.42Å; T410-Q445 HydrophobicContact CG2-CG 4.34Å; T410-L446 HydrophobicContact CG2-CB 3.78Å; T410-L446 HydrophobicContact CG2-CD1 4.48Å |
| 411 | Q | 95.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -50.9 | 171.3 | -177.5 | 68 | 54.5 | 0 | 0 | 111.4 | M407 R408 Q409 L413 A414 D415 L446 | M407-Q411 PolarHBondContact O-N 2.98Å; R408-Q411 PolarHBondContact O-N 3.44Å; Q409-Q411 VanDerWaalsContact C-N 3.31Å; Q411-L413 PolarHBondContact O-N 3.47Å; Q411-A414 WeakPolarHBondContact O-CB 3.5Å; Q411-A414 PolarHBondContact O-N 3.4Å; Q411-D415 PolarHBondContact NE2-OD1 3.13Å; Q411-D415 PolarHBondContact NE2-OD2 3.49Å; Q411-D415 VanDerWaalsContact O-CG 3.28Å; Q411-D415 PolarHBondContact O-N 3.3Å; Q411-L446 HydrophobicContact CB-CD1 4.27Å |
| 412 | A | 95.9 | Very high | 93.5 | Very high | 29 Ų | 29 | 49.6 Ų | 49.6 | 24% | 0.24 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -35 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L315 R408 Q409 Q416 | L315-A412 HydrophobicContact CD1-CB 4.46Å; R408-A412 PolarHBondContact O-N 3.33Å; Q409-A412 PolarHBondContact O-N 3.2Å; A412-Q416 WeakPolarHBondContact O-CB 3.34Å; A412-Q416 PolarHBondContact O-N 2.96Å; A412-Q416 VanDerWaalsContact O-N 3.15Å |
| 413 | L | 96.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.2 | -38.4 | 173.7 | -75.9 | 159.1 | 0 | 0 | 0 | 112.3 | T312 T386 L389 I390 Q409 T410 Q411 I442 | T312-L413 HydrophobicContact CG2-CD2 3.72Å; T312-L413 HydrophobicContact CG2-CG 4.25Å; T386-L413 HydrophobicContact CG2-CD2 3.95Å; L389-L413 HydrophobicContact CB-CD1 4.03Å; L389-L413 HydrophobicContact CB-CD2 4.24Å; L389-L413 HydrophobicContact CD1-CD2 4.43Å; I390-L413 HydrophobicContact CG1-CD1 3.67Å; I390-L413 HydrophobicContact CG1-CD2 4.18Å; I390-L413 HydrophobicContact CG1-CG 4.48Å; Q409-L413 HydrophobicContact CG-CD1 4.18Å; Q409-L413 WeakPolarHBondContact O-CD1 3.34Å; Q409-L413 WeakPolarHBondContact O-CG 3.35Å; Q409-L413 PolarHBondContact O-N 3.45Å; T410-L413 PolarHBondContact O-N 3.34Å; Q411-L413 PolarHBondContact O-N 3.47Å; L413-I442 HydrophobicContact CB-CG2 3.95Å |
| 414 | A | 94.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.2 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T410 Q411 Q416 F417 I442 Q443 | T410-A414 PolarHBondContact O-N 2.88Å; Q411-A414 WeakPolarHBondContact O-CB 3.5Å; Q411-A414 PolarHBondContact O-N 3.4Å; A414-Q416 VanDerWaalsContact C-N 3.27Å; A414-Q416 PolarHBondContact O-N 2.97Å; A414-F417 WeakPolarHBondContact O-CB 3.48Å; A414-F417 PolarHBondContact O-N 3.47Å; A414-I442 HydrophobicContact CB-CG2 4.2Å; A414-Q443 HydrophobicContact CB-CG 4.03Å |
| 415 | D | 93.5 | Very high | 93.5 | Very high | 92 Ų | 92 | 46.7 Ų | 46.7 | 49% | 0.492 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.3 | -29.4 | -178.7 | -61.6 | -22.1 | 0 | 0 | 0 | 112.2 | Q411 F417 E418 | Q411-D415 PolarHBondContact NE2-OD1 3.13Å; Q411-D415 PolarHBondContact NE2-OD2 3.49Å; Q411-D415 VanDerWaalsContact O-CG 3.28Å; Q411-D415 PolarHBondContact O-N 3.3Å; D415-F417 PolarHBondContact O-N 2.58Å; D415-F417 VanDerWaalsContact O-N 3.16Å; D415-E418 PolarHBondContact O-N 3.06Å; D415-E418 VanDerWaalsContact O-N 3.13Å |
| 416 | Q | 93.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59.4 | -26.3 | 178.3 | -179.6 | 171.7 | 41 | 0 | 0 | 113.5 | T312 W382 A412 A414 E418 D419 R427 | T312-Q416 PolarHBondContact OG1-NE2 3.06Å; T312-Q416 PolarHBondContact OG1-OE1 3.27Å; W382-Q416 HydrophobicContact CZ2-CG 4.31Å; A412-Q416 WeakPolarHBondContact O-CB 3.34Å; A412-Q416 PolarHBondContact O-N 2.96Å; A412-Q416 VanDerWaalsContact O-N 3.15Å; A414-Q416 VanDerWaalsContact C-N 3.27Å; A414-Q416 PolarHBondContact O-N 2.97Å; Q416-E418 PolarHBondContact O-N 3.47Å; Q416-D419 WeakPolarHBondContact O-CB 3.42Å; Q416-D419 PolarHBondContact O-N 3.01Å; Q416-D419 VanDerWaalsContact O-N 3.14Å; Q416-R427 PolarHBondContact O-NH1 3.29Å; Q416-R427 PolarHBondContact O-NH2 3.25Å; Q416-R427 VanDerWaalsContact O-NH2 3.11Å |
| 417 | F | 93.5 | Very high | 93.5 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -58.2 | -36.1 | 177.4 | -177.1 | -99.2 | 0 | 0 | 0 | 111.8 | S107 P112 P113 A414 D415 R427 H439 | S107-F417 WeakPolarHBondContact O-CZ 3.33Å; P112-F417 WeakPolarHBondContact CA-O 3.39Å; P113-F417 HydrophobicContact CG-CD1 4.49Å; P113-F417 HydrophobicContact CG-CE1 4.07Å; A414-F417 WeakPolarHBondContact O-CB 3.48Å; A414-F417 PolarHBondContact O-N 3.47Å; D415-F417 PolarHBondContact O-N 2.58Å; D415-F417 VanDerWaalsContact O-N 3.16Å; F417-R427 PolarHBondContact O-NH1 3.34Å; F417-H439 HydrophobicContact CB-CB 4.34Å; F417-H439 HydrophobicContact CD1-CB 4.31Å; F417-H439 HydrophobicContact CD2-CB 3.59Å; F417-H439 HydrophobicContact CE2-CB 3.91Å; F417-H439 HydrophobicContact CG-CB 3.81Å; F417-H439 HydrophobicContact CZ-CB 4.39Å; F417-H439 AromaticContact CZ-CD2 3.86Å |
| 418 | E | 92.6 | Very high | 93.5 | Very high | 128 Ų | 128 | 45.8 Ų | 45.8 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -86.6 | -9.9 | -179.3 | -62.6 | -176.1 | -175.4 | 0 | 0 | 113.6 | D415 Q416 K420 | D415-E418 PolarHBondContact O-N 3.06Å; D415-E418 VanDerWaalsContact O-N 3.13Å; Q416-E418 PolarHBondContact O-N 3.47Å; E418-K420 PolarHBondContact O-N 3.44Å |
| 419 | D | 90.4 | Very high | 93.5 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | trans | -63.9 | 128.2 | -179.8 | 166.9 | 46.7 | 0 | 0 | 0 | 111.3 | Q416 T421 T422 R427 | Q416-D419 WeakPolarHBondContact O-CB 3.42Å; Q416-D419 PolarHBondContact O-N 3.01Å; Q416-D419 VanDerWaalsContact O-N 3.14Å; D419-T421 VanDerWaalsContact OD1-CB 3.29Å; D419-T421 WeakPolarHBondContact OD1-CB 3.4Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.5Å; D419-T421 PolarHBondContact OD1-N 3.38Å; D419-T421 PolarHBondContact OD1-OG1 2.96Å; D419-T421 PolarHBondContact OD2-OG1 3.4Å; D419-T422 PolarHBondContact OD2-N 3.04Å; D419-T422 PolarHBondContact OD2-OG1 2.61Å; D419-R427 PolarHBondContact O-NH2 3.44Å; D419-R427 IonicContact OD2-NH2 3.95Å; D419-R427 PolarHBondContact OD2-NH2 3.47Å | ||
| 420 | K | 89.6 | Confident | 93.3 | Very high | 169 Ų | 169 | 43 Ų | 43 | 74% | 0.735 | 23% | 0.225 | S | C | * | . | trans | -101 | -4.8 | 177.4 | -62.7 | -174.3 | 178.8 | -172.5 | 0 | 113.4 | P112 E418 | P112-K420 HydrophobicContact CB-CG 3.95Å; P112-K420 HydrophobicContact CG-CG 4.44Å; E418-K420 PolarHBondContact O-N 3.44Å | ||
| 421 | T | 89.1 | Confident | 93.3 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -72.8 | -40.7 | -178.1 | 64.3 | 0 | 0 | 0 | 0 | 111.5 | D419 | D419-T421 VanDerWaalsContact OD1-CB 3.29Å; D419-T421 WeakPolarHBondContact OD1-CB 3.4Å; D419-T421 WeakPolarHBondContact OD1-CG2 3.5Å; D419-T421 PolarHBondContact OD1-N 3.38Å; D419-T421 PolarHBondContact OD1-OG1 2.96Å; D419-T421 PolarHBondContact OD2-OG1 3.4Å |
| 422 | T | 90.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -78.8 | 123.2 | 175 | -51.6 | 0 | 0 | 0 | 0 | 110.4 | H310 D419 E426 R427 | H310-T422 HydrophobicContact CB-CG2 4.05Å; H310-T422 WeakPolarHBondContact O-CG2 3.49Å; H310-T422 PolarHBondContact O-OG1 3.02Å; H310-T422 VanDerWaalsContact O-OG1 3.07Å; D419-T422 PolarHBondContact OD2-N 3.04Å; D419-T422 PolarHBondContact OD2-OG1 2.61Å; T422-E426 HydrophobicContact CG2-CB 4.07Å; T422-R427 HydrophobicContact CG2-CG 3.72Å |
| 423 | S | 92.1 | Very high | 93.4 | Very high | 58 Ų | 58 | 39.3 Ų | 39.3 | 41% | 0.406 | 20% | 0.202 | S | C | . | . | trans | -67.8 | 154.2 | -179.8 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | L425 E426 R427 | S423-L425 VanDerWaalsContact C-N 3.27Å; S423-L425 PolarHBondContact O-N 3.43Å; S423-E426 PolarHBondContact O-N 3.06Å; S423-E426 WeakPolarHBondContact OG-CG 3.37Å; S423-E426 PolarHBondContact OG-N 3.37Å; S423-R427 PolarHBondContact O-N 3.18Å | ||
| 424 | V | 92.6 | Very high | 93.4 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 14% | 0.139 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -42.3 | 179.3 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | Y43 Q106 E426 R427 L428 | Y43-V424 HydrophobicContact CD2-CG1 4.49Å; Y43-V424 HydrophobicContact CE2-CG1 3.82Å; Q106-V424 HydrophobicContact CG-CG1 4.23Å; Q106-V424 HydrophobicContact CG-CG2 4.3Å; V424-E426 VanDerWaalsContact C-N 3.34Å; V424-E426 PolarHBondContact O-N 2.92Å; V424-R427 PolarHBondContact O-N 2.97Å; V424-L428 HydrophobicContact CG1-CD1 3.75Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 PolarHBondContact O-N 3.09Å; V424-L428 VanDerWaalsContact O-N 3.08Å |
| 425 | L | 92.4 | Very high | 93.1 | Very high | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | -178.7 | -167.9 | 69.7 | 0 | 0 | 0 | 111.9 | S423 R427 L428 K429 | S423-L425 VanDerWaalsContact C-N 3.27Å; S423-L425 PolarHBondContact O-N 3.43Å; L425-R427 VanDerWaalsContact C-N 3.29Å; L425-R427 PolarHBondContact O-N 3.2Å; L425-L428 PolarHBondContact O-N 3.09Å; L425-K429 PolarHBondContact O-N 3.26Å |
| 426 | E | 93.6 | Very high | 93.2 | Very high | 29 Ų | 29 | 37.5 Ų | 37.5 | 14% | 0.136 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | 176.8 | -69.3 | -58.2 | 142 | 0 | 0 | 112.2 | T306 T422 S423 V424 K429 | T306-E426 VanDerWaalsContact CA-OE2 3.22Å; T306-E426 WeakPolarHBondContact CA-OE2 3.46Å; T306-E426 WeakPolarHBondContact CB-OE2 3.36Å; T306-E426 HydrophobicContact CG2-CB 4.05Å; T306-E426 HydrophobicContact CG2-CG 4.22Å; T306-E426 WeakPolarHBondContact CG2-OE2 3.27Å; T306-E426 PolarHBondContact OG1-OE2 3.16Å; T422-E426 HydrophobicContact CG2-CB 4.07Å; S423-E426 PolarHBondContact O-N 3.06Å; S423-E426 WeakPolarHBondContact OG-CG 3.37Å; S423-E426 PolarHBondContact OG-N 3.37Å; V424-E426 VanDerWaalsContact C-N 3.34Å; V424-E426 PolarHBondContact O-N 2.92Å; E426-K429 WeakPolarHBondContact OE1-CE 3.44Å; E426-K429 IonicContact OE1-NZ 3.85Å; E426-K429 PolarHBondContact OE1-NZ 2.82Å; E426-K429 WeakPolarHBondContact OE2-CE 3.46Å; E426-K429 IonicContact OE2-NZ 3.9Å; E426-K429 PolarHBondContact OE2-NZ 3.5Å |
| 427 | R | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.1 | -29.1 | 178.5 | -57 | -173.2 | 178.3 | -167.7 | -2.2 | 113.2 | T110 G111 W382 Q416 F417 D419 T422 S423 V424 L425 | T110-R427 HydrophobicContact CG2-CB 4.14Å; T110-R427 WeakPolarHBondContact O-CD 3.47Å; T110-R427 PolarHBondContact O-NH1 3.05Å; G111-R427 WeakPolarHBondContact O-CD 3.39Å; W382-R427 HydrophobicContact CD2-CB 3.86Å; W382-R427 HydrophobicContact CD2-CG 3.83Å; W382-R427 HydrophobicContact CE3-CB 3.81Å; W382-R427 HydrophobicContact CE3-CG 4.29Å; W382-R427 HydrophobicContact CG-CB 4.32Å; W382-R427 HydrophobicContact CG-CG 4.04Å; W382-R427 HydrophobicContact CZ2-CG 4.38Å; W382-R427 HydrophobicContact CZ3-CB 4.22Å; Q416-R427 PolarHBondContact O-NH1 3.29Å; Q416-R427 PolarHBondContact O-NH2 3.25Å; Q416-R427 VanDerWaalsContact O-NH2 3.11Å; F417-R427 PolarHBondContact O-NH1 3.34Å; D419-R427 PolarHBondContact O-NH2 3.44Å; D419-R427 IonicContact OD2-NH2 3.95Å; D419-R427 PolarHBondContact OD2-NH2 3.47Å; T422-R427 HydrophobicContact CG2-CG 3.72Å; S423-R427 PolarHBondContact O-N 3.18Å; V424-R427 PolarHBondContact O-N 2.97Å; L425-R427 VanDerWaalsContact C-N 3.29Å; L425-R427 PolarHBondContact O-N 3.2Å |
| 428 | L | 94.4 | Very high | 93.4 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 8% | 0.084 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -85.9 | -12.8 | -178.7 | -73.5 | 174.3 | 0 | 0 | 0 | 114.2 | Y43 V105 T110 V424 L425 I430 F431 | Y43-L428 HydrophobicContact CE2-CD1 3.74Å; Y43-L428 VanDerWaalsContact OH-CD1 3.25Å; Y43-L428 WeakPolarHBondContact OH-CD1 3.23Å; V105-L428 HydrophobicContact CG1-CD2 3.8Å; T110-L428 HydrophobicContact CG2-CD2 4.06Å; V424-L428 HydrophobicContact CG1-CD1 3.75Å; V424-L428 HydrophobicContact CG1-CG 4.39Å; V424-L428 PolarHBondContact O-N 3.09Å; V424-L428 VanDerWaalsContact O-N 3.08Å; L425-L428 PolarHBondContact O-N 3.09Å; L428-I430 PolarHBondContact O-N 3.06Å; L428-I430 VanDerWaalsContact O-N 3.1Å; L428-F431 HydrophobicContact CD2-CB 4.41Å; L428-F431 HydrophobicContact CD2-CG 4.37Å; L428-F431 VanDerWaalsContact O-CB 3.32Å; L428-F431 WeakPolarHBondContact O-CB 3.48Å; L428-F431 PolarHBondContact O-N 3.46Å; L428-F431 VanDerWaalsContact O-N 3.11Å |
| 429 | K | 94.6 | Very high | 93.5 | Very high | 28 Ų | 28 | 32.5 Ų | 32.5 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 120.3 | 174.2 | -77.2 | 174.3 | -179.2 | 177.6 | 0 | 110.3 | P303 A304 L425 E426 F431 | P303-K429 HydrophobicContact CB-CB 4.43Å; P303-K429 HydrophobicContact CB-CD 4.03Å; P303-K429 HydrophobicContact CB-CG 3.98Å; A304-K429 PolarHBondContact O-NZ 3.15Å; L425-K429 PolarHBondContact O-N 3.26Å; E426-K429 WeakPolarHBondContact OE1-CE 3.44Å; E426-K429 IonicContact OE1-NZ 3.85Å; E426-K429 PolarHBondContact OE1-NZ 2.82Å; E426-K429 WeakPolarHBondContact OE2-CE 3.46Å; E426-K429 IonicContact OE2-NZ 3.9Å; E426-K429 PolarHBondContact OE2-NZ 3.5Å; K429-F431 PolarHBondContact O-N 2.94Å |
| 430 | I | 94 | Very high | 93.8 | Very high | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.062 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 18.5 | 178.9 | -155.8 | 148.5 | 0 | 0 | 0 | 115.1 | Q232 A341 E342 A345 I384 L428 Y432 C433 C434 | Q232-I430 HydrophobicContact CG-CD1 4.2Å; A341-I430 HydrophobicContact CB-CD1 3.8Å; A341-I430 HydrophobicContact CB-CG2 4.43Å; E342-I430 HydrophobicContact CG-CD1 4.03Å; A345-I430 HydrophobicContact CB-CD1 4Å; A345-I430 HydrophobicContact CB-CG1 4.33Å; I384-I430 HydrophobicContact CD1-CG2 4.26Å; I384-I430 HydrophobicContact CG1-CG2 4.25Å; L428-I430 PolarHBondContact O-N 3.06Å; L428-I430 VanDerWaalsContact O-N 3.1Å; I430-Y432 VanDerWaalsContact C-N 3.32Å; I430-Y432 PolarHBondContact O-N 2.99Å; I430-Y432 VanDerWaalsContact O-N 3.17Å; I430-C433 HydrophobicContact CD1-CB 4.46Å; I430-C433 HydrophobicContact CG1-CB 3.64Å; I430-C433 WeakPolarHBondContact O-CB 3.4Å; I430-C433 PolarHBondContact O-N 3.08Å; I430-C434 PolarHBondContact O-SG 3.22Å; I430-C434 VanDerWaalsContact O-SG 3.38Å |
| 431 | F | 96.4 | Very high | 94.1 | Very high | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.035 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -50.7 | -46.3 | -172.3 | 164.2 | -97.4 | 0 | 0 | 0 | 113.7 | V105 W109 T110 I191 L428 K429 C433 C434 V436 | V105-F431 HydrophobicContact CB-CE1 4.48Å; V105-F431 HydrophobicContact CG1-CD1 4.01Å; V105-F431 HydrophobicContact CG1-CE1 3.45Å; V105-F431 VanDerWaalsContact CG1-CE1 3.45Å; V105-F431 HydrophobicContact CG1-CE2 4.05Å; V105-F431 HydrophobicContact CG1-CZ 3.48Å; V105-F431 VanDerWaalsContact CG1-CZ 3.48Å; V105-F431 HydrophobicContact CG2-CE1 4.14Å; W109-F431 HydrophobicContact CB-CE2 3.84Å; W109-F431 HydrophobicContact CB-CZ 3.89Å; W109-F431 AromaticContact CD1-CE2 3.96Å; W109-F431 AromaticContact CD1-CZ 3.74Å; W109-F431 HydrophobicContact CG-CE2 4.1Å; W109-F431 AromaticContact CG-CZ 3.79Å; W109-F431 HydrophobicContact CG-CZ 3.79Å; T110-F431 HydrophobicContact CG2-CD2 3.79Å; T110-F431 HydrophobicContact CG2-CE2 3.92Å; I191-F431 HydrophobicContact CD1-CE1 4.09Å; I191-F431 HydrophobicContact CD1-CZ 4.34Å; L428-F431 HydrophobicContact CD2-CB 4.41Å; L428-F431 HydrophobicContact CD2-CG 4.37Å; L428-F431 VanDerWaalsContact O-CB 3.32Å; L428-F431 WeakPolarHBondContact O-CB 3.48Å; L428-F431 PolarHBondContact O-N 3.46Å; L428-F431 VanDerWaalsContact O-N 3.11Å; K429-F431 PolarHBondContact O-N 2.94Å; F431-C433 PolarHBondContact O-N 3.27Å; F431-C433 VanDerWaalsContact O-N 3.15Å; F431-C434 PolarHBondContact O-N 2.81Å; F431-V436 HydrophobicContact CD2-CB 4.2Å; F431-V436 HydrophobicContact CD2-CG2 4.2Å; F431-V436 HydrophobicContact CE2-CB 3.89Å; F431-V436 HydrophobicContact CE2-CG2 4.4Å |
| 432 | Y | 96.7 | Very high | 94.4 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 8% | 0.075 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -65.2 | -18.7 | -177.6 | -64.1 | -75.7 | 0 | 0 | 0 | 113.3 | Q102 W184 R187 I191 E236 I430 | Q102-Y432 PolarHBondContact OE1-OH 3.14Å; W184-Y432 HydrophobicContact CH2-CE2 4.45Å; W184-Y432 HydrophobicContact CZ3-CE2 4.28Å; R187-Y432 HydrophobicContact CB-CD1 4.06Å; R187-Y432 HydrophobicContact CB-CE1 3.85Å; R187-Y432 HydrophobicContact CG-CD1 3.82Å; R187-Y432 HydrophobicContact CG-CD2 4.37Å; R187-Y432 HydrophobicContact CG-CE1 4.05Å; R187-Y432 HydrophobicContact CG-CG 3.99Å; I191-Y432 HydrophobicContact CD1-CE1 4.36Å; I191-Y432 HydrophobicContact CG1-CE1 4.13Å; E236-Y432 WeakPolarHBondContact OE1-CB 3.2Å; I430-Y432 VanDerWaalsContact C-N 3.32Å; I430-Y432 PolarHBondContact O-N 2.99Å; I430-Y432 VanDerWaalsContact O-N 3.17Å |
| 433 | C | 97 | Very high | 94.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -95.4 | 5.4 | 177.2 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | Q232 L235 Y239 A345 I430 F431 | Q232-C433 VanDerWaalsContact CA-SG 3.57Å; Q232-C433 PolarHBondContact O-SG 2.98Å; L235-C433 HydrophobicContact CB-CB 4.23Å; L235-C433 HydrophobicContact CD1-CB 4.15Å; Y239-C433 VanDerWaalsContact CE2-C 3.48Å; Y239-C433 WeakPolarHBondContact CE2-O 3.43Å; Y239-C433 PolarHBondContact OH-O 3.07Å; A345-C433 HydrophobicContact CB-CB 4.18Å; I430-C433 HydrophobicContact CD1-CB 4.46Å; I430-C433 HydrophobicContact CG1-CB 3.64Å; I430-C433 WeakPolarHBondContact O-CB 3.4Å; I430-C433 PolarHBondContact O-N 3.08Å; F431-C433 PolarHBondContact O-N 3.27Å; F431-C433 VanDerWaalsContact O-N 3.15Å |
| 434 | C | 95.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.014 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -7.1 | -172.6 | -61 | 0 | 0 | 0 | 0 | 115.2 | L348 A383 I384 S387 I430 F431 V436 | L348-C434 HydrophobicContact CD2-CB 3.94Å; A383-C434 HydrophobicContact CB-CB 3.88Å; I384-C434 WeakPolarHBondContact CG1-SG 3.45Å; S387-C434 WeakPolarHBondContact CB-O 3.36Å; S387-C434 PolarHBondContact OG-O 2.82Å; I430-C434 PolarHBondContact O-SG 3.22Å; I430-C434 VanDerWaalsContact O-SG 3.38Å; F431-C434 PolarHBondContact O-N 2.81Å; C434-V436 HydrophobicContact CB-CG2 4.19Å; C434-V436 PolarHBondContact O-N 3.45Å |
| 435 | Q | 90.1 | Very high | 95.1 | Very high | 57 Ų | 57 | 24.9 Ų | 24.9 | 27% | 0.266 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.4 | -180 | -66.9 | -67.4 | -50.8 | 0 | 0 | 113.5 | Y239 | Y239-Q435 HydrophobicContact CD1-CG 3.26Å; Y239-Q435 HydrophobicContact CD2-CG 3.86Å; Y239-Q435 HydrophobicContact CE1-CB 4.43Å; Y239-Q435 HydrophobicContact CE1-CG 3.54Å; Y239-Q435 HydrophobicContact CE2-CG 4.15Å; Y239-Q435 HydrophobicContact CG-CG 3.41Å; Y239-Q435 VanDerWaalsContact CG-CG 3.41Å |
| 436 | V | 94.9 | Very high | 95.3 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.042 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 127.3 | 172.9 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | W109 W382 A383 T386 F431 C434 | W109-V436 PolarHBondContact NE1-O 2.72Å; W382-V436 HydrophobicContact CH2-CG1 4.3Å; W382-V436 HydrophobicContact CZ3-CG1 4.18Å; W382-V436 HydrophobicContact CZ3-CG2 4.37Å; A383-V436 HydrophobicContact CB-CG2 3.86Å; T386-V436 HydrophobicContact CG2-CG1 3.89Å; F431-V436 HydrophobicContact CD2-CB 4.2Å; F431-V436 HydrophobicContact CD2-CG2 4.2Å; F431-V436 HydrophobicContact CE2-CB 3.89Å; F431-V436 HydrophobicContact CE2-CG2 4.4Å; C434-V436 HydrophobicContact CB-CG2 4.19Å; C434-V436 PolarHBondContact O-N 3.45Å |
| 437 | P | 95 | Very high | 95.4 | Very high | 27 Ų | 27 | 21.5 Ų | 21.5 | 18% | 0.175 | 11% | 0.105 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 155.8 | 178.3 | 30.4 | -34.1 | 0 | 0 | 0 | 111.1 | I390 A441 I442 | I390-P437 HydrophobicContact CD1-CG 3.45Å; I390-P437 VanDerWaalsContact CD1-CG 3.45Å; I390-P437 HydrophobicContact CG2-CG 4.36Å; P437-A441 HydrophobicContact CB-CB 4.11Å; P437-I442 HydrophobicContact CG-CD1 4.26Å; P437-I442 HydrophobicContact CG-CG1 3.8Å |
| 438 | P | 95.9 | Very high | 95.5 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 8% | 0.078 | 12% | 0.118 | C | C | . | . | P | Polyproline II helix | trans | -64.7 | 157.9 | 175.1 | 27.6 | -33.9 | 0 | 0 | 0 | 111.5 | W109 W440 A441 I442 | W109-P438 HydrophobicContact CD2-CB 4.05Å; W109-P438 HydrophobicContact CG-CB 4.36Å; W109-P438 HydrophobicContact CZ2-CB 3.97Å; W109-P438 HydrophobicContact CZ2-CG 4.31Å; P438-W440 VanDerWaalsContact C-N 3.27Å; P438-W440 HydrophobicContact CB-CD2 3.74Å; P438-W440 VanDerWaalsContact CB-CE2 3.47Å; P438-W440 HydrophobicContact CB-CE3 3.86Å; P438-W440 HydrophobicContact CB-CH2 3.46Å; P438-W440 VanDerWaalsContact CB-CH2 3.46Å; P438-W440 HydrophobicContact CB-CZ2 3.33Å; P438-W440 HydrophobicContact CB-CZ3 3.73Å; P438-W440 HydrophobicContact CG-CD2 4.06Å; P438-W440 VanDerWaalsContact CG-CE2 3.42Å; P438-W440 HydrophobicContact CG-CH2 4.14Å; P438-W440 HydrophobicContact CG-CZ2 3.47Å; P438-W440 VanDerWaalsContact CG-CZ2 3.47Å; P438-W440 PolarHBondContact O-N 3.28Å; P438-A441 HydrophobicContact CG-CB 3.89Å; P438-A441 WeakPolarHBondContact O-CB 3.41Å; P438-A441 PolarHBondContact O-N 3.39Å; P438-I442 PolarHBondContact O-N 3.25Å |
| 439 | H | 95.4 | Very high | 95.4 | Very high | 28 Ų | 28 | 23 Ų | 23 | 13% | 0.13 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59 | -37.9 | -171.5 | 85.5 | 75.8 | 0 | 0 | 0 | 112.6 | N108 F417 A441 I442 Q443 | N108-H439 PolarHBondContact O-CD2 3.31Å; N108-H439 PolarHBondContact O-N 2.81Å; F417-H439 HydrophobicContact CB-CB 4.34Å; F417-H439 HydrophobicContact CD1-CB 4.31Å; F417-H439 HydrophobicContact CD2-CB 3.59Å; F417-H439 HydrophobicContact CE2-CB 3.91Å; F417-H439 HydrophobicContact CG-CB 3.81Å; F417-H439 HydrophobicContact CZ-CB 4.39Å; F417-H439 AromaticContact CZ-CD2 3.86Å; H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 2.96Å; H439-I442 WeakPolarHBondContact O-CB 3.43Å; H439-I442 PolarHBondContact O-N 2.91Å; H439-I442 VanDerWaalsContact O-N 3.17Å; H439-Q443 PolarHBondContact CE1-OE1 3.2Å; H439-Q443 PolarHBondContact ND1-OE1 3.21Å; H439-Q443 WeakPolarHBondContact O-CG 3.41Å; H439-Q443 PolarHBondContact O-N 3.02Å |
| 440 | W | 95.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 22.6 Ų | 22.6 | 7% | 0.072 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.7 | -28.6 | 179.5 | 59.9 | 87.1 | 0 | 0 | 0 | 111.8 | N108 W109 Y152 L195 P438 Q443 R444 L466 M468 | N108-W440 HydrophobicContact CB-CH2 4.06Å; N108-W440 HydrophobicContact CB-CZ3 3.69Å; N108-W440 WeakPolarHBondContact OD1-CZ3 3.42Å; W109-W440 HydrophobicContact CH2-CH2 4.08Å; W109-W440 HydrophobicContact CZ3-CH2 4.24Å; Y152-W440 AromaticContact CD1-CD2 3.67Å; Y152-W440 HydrophobicContact CD1-CD2 3.67Å; Y152-W440 AromaticContact CD1-CE2 3.76Å; Y152-W440 AromaticContact CD1-CE3 3.99Å; Y152-W440 HydrophobicContact CD1-CE3 3.99Å; Y152-W440 HydrophobicContact CD1-CG 4Å; Y152-W440 HydrophobicContact CD1-CH2 4.47Å; Y152-W440 HydrophobicContact CD1-CZ2 4.18Å; Y152-W440 HydrophobicContact CD1-CZ3 4.37Å; Y152-W440 HydrophobicContact CE1-CB 3.84Å; Y152-W440 AromaticContact CE1-CD2 3.54Å; Y152-W440 HydrophobicContact CE1-CD2 3.54Å; Y152-W440 AromaticContact CE1-CE3 3.78Å; Y152-W440 HydrophobicContact CE1-CE3 3.78Å; Y152-W440 AromaticContact CE1-CG 3.57Å; Y152-W440 HydrophobicContact CE1-CG 3.57Å; Y152-W440 HydrophobicContact CE2-CG 4.48Å; Y152-W440 AromaticContact CZ-CG 3.83Å; L195-W440 HydrophobicContact CD2-CH2 3.65Å; L195-W440 HydrophobicContact CD2-CZ2 3.82Å; P438-W440 VanDerWaalsContact C-N 3.27Å; P438-W440 HydrophobicContact CB-CD2 3.74Å; P438-W440 VanDerWaalsContact CB-CE2 3.47Å; P438-W440 HydrophobicContact CB-CE3 3.86Å; P438-W440 HydrophobicContact CB-CH2 3.46Å; P438-W440 VanDerWaalsContact CB-CH2 3.46Å; P438-W440 HydrophobicContact CB-CZ2 3.33Å; P438-W440 HydrophobicContact CB-CZ3 3.73Å; P438-W440 HydrophobicContact CG-CD2 4.06Å; P438-W440 VanDerWaalsContact CG-CE2 3.42Å; P438-W440 HydrophobicContact CG-CH2 4.14Å; P438-W440 HydrophobicContact CG-CZ2 3.47Å; P438-W440 VanDerWaalsContact CG-CZ2 3.47Å; P438-W440 PolarHBondContact O-N 3.28Å; W440-Q443 PolarHBondContact O-N 3Å; W440-R444 VanDerWaalsContact O-CB 3.25Å; W440-R444 WeakPolarHBondContact O-CB 3.43Å; W440-R444 PolarHBondContact O-N 3.04Å; W440-L466 HydrophobicContact CB-CD2 4.15Å; W440-M468 HydrophobicContact CB-CE 4.25Å |
| 441 | A | 95.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 24 Ų | 24 | 28% | 0.281 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -72.1 | -33.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P437 P438 H439 Q445 | P437-A441 HydrophobicContact CB-CB 4.11Å; P438-A441 HydrophobicContact CG-CB 3.89Å; P438-A441 WeakPolarHBondContact O-CB 3.41Å; P438-A441 PolarHBondContact O-N 3.39Å; H439-A441 VanDerWaalsContact C-N 3.26Å; H439-A441 PolarHBondContact O-N 2.96Å; A441-Q445 WeakPolarHBondContact O-CB 3.35Å; A441-Q445 PolarHBondContact O-N 2.83Å |
| 442 | I | 96.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 28.4 Ų | 28.4 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -66.7 | -45.9 | 172.1 | -57.7 | 176.2 | 0 | 0 | 0 | 110 | I390 T410 L413 A414 P437 P438 H439 Q445 L446 | I390-I442 HydrophobicContact CD1-CD1 3.8Å; I390-I442 HydrophobicContact CD1-CG1 3.96Å; T410-I442 HydrophobicContact CG2-CG2 4.34Å; L413-I442 HydrophobicContact CB-CG2 3.95Å; A414-I442 HydrophobicContact CB-CG2 4.2Å; P437-I442 HydrophobicContact CG-CD1 4.26Å; P437-I442 HydrophobicContact CG-CG1 3.8Å; P438-I442 PolarHBondContact O-N 3.25Å; H439-I442 WeakPolarHBondContact O-CB 3.43Å; H439-I442 PolarHBondContact O-N 2.91Å; H439-I442 VanDerWaalsContact O-N 3.17Å; I442-Q445 WeakPolarHBondContact O-CB 3.42Å; I442-Q445 PolarHBondContact O-N 2.67Å; I442-L446 PolarHBondContact O-N 3.48Å |
| 443 | Q | 96.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 15% | 0.145 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.5 | -38 | 177.4 | -69.5 | 171.9 | -41.5 | 0 | 0 | 112.1 | A414 H439 W440 L446 A447 I462 L466 | A414-Q443 HydrophobicContact CB-CG 4.03Å; H439-Q443 PolarHBondContact CE1-OE1 3.2Å; H439-Q443 PolarHBondContact ND1-OE1 3.21Å; H439-Q443 WeakPolarHBondContact O-CG 3.41Å; H439-Q443 PolarHBondContact O-N 3.02Å; W440-Q443 PolarHBondContact O-N 3Å; Q443-L446 WeakPolarHBondContact O-CB 3.49Å; Q443-L446 PolarHBondContact O-N 3.46Å; Q443-A447 PolarHBondContact O-N 3.4Å; Q443-I462 HydrophobicContact CB-CG2 4.39Å; Q443-L466 HydrophobicContact CB-CD1 3.76Å; Q443-L466 HydrophobicContact CB-CD2 4.35Å |
| 444 | R | 96.6 | Very high | 94.4 | Very high | 104 Ų | 104 | 33.3 Ų | 33.3 | 39% | 0.392 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 170.5 | -171.8 | -178.8 | -173.2 | -171.6 | -5.5 | 111 | W440 L446 A447 S448 F463 M468 D471 | W440-R444 VanDerWaalsContact O-CB 3.25Å; W440-R444 WeakPolarHBondContact O-CB 3.43Å; W440-R444 PolarHBondContact O-N 3.04Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.46Å; R444-A447 PolarHBondContact O-N 3.07Å; R444-S448 PolarHBondContact O-N 3.33Å; R444-S448 PolarHBondContact O-OG 2.84Å; R444-S448 VanDerWaalsContact O-OG 3.05Å; R444-F463 HydrophobicContact CG-CE1 3.99Å; R444-M468 HydrophobicContact CB-CE 3.88Å; R444-M468 HydrophobicContact CB-SD 3.61Å; R444-M468 WeakPolarHBondContact CD-SD 3.12Å; R444-M468 HydrophobicContact CG-CE 4.18Å; R444-M468 HydrophobicContact CG-SD 3.43Å; R444-M468 WeakPolarHBondContact CG-SD 3.33Å; R444-D471 IonicContact CZ-OD1 3.63Å; R444-D471 IonicContact CZ-OD2 2.86Å; R444-D471 IonicContact NE-OD1 2.82Å; R444-D471 IonicContact NE-OD2 2.64Å; R444-D471 PolarHBondContact NE-OD2 3.11Å; R444-D471 IonicContact NH2-OD1 3.7Å; R444-D471 PolarHBondContact NH2-OD1 3.14Å; R444-D471 IonicContact NH2-OD2 3.81Å; R444-D471 PolarHBondContact NH2-OD2 3Å |
| 445 | Q | 95.7 | Very high | 94.3 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 178.4 | -176.8 | -179.8 | -32.2 | 0 | 0 | 112 | T393 T410 A441 I442 S448 L449 | T393-Q445 PolarHBondContact OG1-NE2 2.97Å; T410-Q445 HydrophobicContact CG2-CB 4.42Å; T410-Q445 HydrophobicContact CG2-CG 4.34Å; A441-Q445 WeakPolarHBondContact O-CB 3.35Å; A441-Q445 PolarHBondContact O-N 2.83Å; I442-Q445 WeakPolarHBondContact O-CB 3.42Å; I442-Q445 PolarHBondContact O-N 2.67Å; Q445-S448 PolarHBondContact O-N 3.27Å; Q445-L449 WeakPolarHBondContact O-CB 3.29Å; Q445-L449 PolarHBondContact O-N 3.47Å |
| 446 | L | 96.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -48.7 | 173.2 | 174.7 | 64.2 | 0 | 0 | 0 | 111.1 | M407 T410 Q411 I442 Q443 R444 L449 L450 I462 | M407-L446 HydrophobicContact CG-CD1 4.39Å; T410-L446 HydrophobicContact CG2-CB 3.78Å; T410-L446 HydrophobicContact CG2-CD1 4.48Å; Q411-L446 HydrophobicContact CB-CD1 4.27Å; I442-L446 PolarHBondContact O-N 3.48Å; Q443-L446 WeakPolarHBondContact O-CB 3.49Å; Q443-L446 PolarHBondContact O-N 3.46Å; R444-L446 VanDerWaalsContact C-N 3.31Å; R444-L446 PolarHBondContact O-N 3.46Å; L446-L449 PolarHBondContact O-N 3.28Å; L446-L450 HydrophobicContact CD1-CD1 4.38Å; L446-L450 HydrophobicContact CG-CD1 4.19Å; L446-L450 WeakPolarHBondContact O-CG 3.39Å; L446-L450 PolarHBondContact O-N 3.34Å; L446-I462 HydrophobicContact CD2-CD1 4.05Å; L446-I462 HydrophobicContact CG-CD1 4.23Å |
| 447 | A | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q443 R444 L449 L450 F451 A459 I462 F463 | Q443-A447 PolarHBondContact O-N 3.4Å; R444-A447 PolarHBondContact O-N 3.07Å; A447-L449 VanDerWaalsContact C-N 3.32Å; A447-L449 PolarHBondContact O-N 2.95Å; A447-L450 PolarHBondContact O-N 3.48Å; A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 PolarHBondContact O-N 3.37Å; A447-A459 HydrophobicContact CB-CB 4.5Å; A447-A459 WeakPolarHBondContact O-CB 3.41Å; A447-I462 HydrophobicContact CB-CB 3.83Å; A447-I462 HydrophobicContact CB-CD1 4.29Å; A447-I462 HydrophobicContact CB-CG2 3.77Å; A447-F463 HydrophobicContact CB-CD1 3.77Å; A447-F463 HydrophobicContact CB-CD2 4.25Å; A447-F463 HydrophobicContact CB-CE1 3.35Å; A447-F463 HydrophobicContact CB-CE2 3.89Å; A447-F463 HydrophobicContact CB-CG 4.19Å; A447-F463 HydrophobicContact CB-CZ 3.43Å; A447-F463 VanDerWaalsContact CB-CZ 3.43Å |
| 448 | S | 94.9 | Very high | 94.4 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 27% | 0.266 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.6 | -40.4 | 174.4 | -58.9 | 0 | 0 | 0 | 0 | 112 | R444 Q445 F451 E452 | R444-S448 PolarHBondContact O-N 3.33Å; R444-S448 PolarHBondContact O-OG 2.84Å; R444-S448 VanDerWaalsContact O-OG 3.05Å; Q445-S448 PolarHBondContact O-N 3.27Å; S448-F451 WeakPolarHBondContact O-CB 3.41Å; S448-F451 PolarHBondContact O-N 2.9Å; S448-E452 WeakPolarHBondContact O-CG 3.49Å; S448-E452 PolarHBondContact O-N 2.95Å |
| 449 | L | 93.1 | Very high | 94.4 | Very high | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.3 | -40.9 | 177.8 | -172.6 | 65.2 | 0 | 0 | 0 | 112 | R397 V403 A406 M407 Q445 L446 A447 F451 E452 L453 | R397-L449 HydrophobicContact CB-CD1 3.6Å; V403-L449 HydrophobicContact CG2-CD1 3.96Å; A406-L449 HydrophobicContact CB-CD2 4.18Å; M407-L449 HydrophobicContact CB-CD2 3.65Å; M407-L449 HydrophobicContact CB-CG 4.37Å; M407-L449 HydrophobicContact CG-CD2 4.33Å; Q445-L449 WeakPolarHBondContact O-CB 3.29Å; Q445-L449 PolarHBondContact O-N 3.47Å; L446-L449 PolarHBondContact O-N 3.28Å; A447-L449 VanDerWaalsContact C-N 3.32Å; A447-L449 PolarHBondContact O-N 2.95Å; L449-F451 VanDerWaalsContact C-N 3.28Å; L449-F451 PolarHBondContact O-N 3.49Å; L449-E452 PolarHBondContact O-N 3.36Å; L449-L453 HydrophobicContact CG-CD1 4.45Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.37Å; L449-L453 PolarHBondContact O-N 2.9Å |
| 450 | L | 94.5 | Very high | 94.4 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 171.5 | -73 | 168.4 | 0 | 0 | 0 | 111.1 | M407 L446 A447 L453 G454 C455 A459 I462 | M407-L450 HydrophobicContact CG-CD2 4.25Å; M407-L450 HydrophobicContact SD-CD2 3.74Å; L446-L450 HydrophobicContact CD1-CD1 4.38Å; L446-L450 HydrophobicContact CG-CD1 4.19Å; L446-L450 WeakPolarHBondContact O-CG 3.39Å; L446-L450 PolarHBondContact O-N 3.34Å; A447-L450 PolarHBondContact O-N 3.48Å; L450-L453 PolarHBondContact O-N 2.85Å; L450-G454 PolarHBondContact O-N 2.89Å; L450-C455 HydrophobicContact CB-CB 4.17Å; L450-C455 HydrophobicContact CD2-CB 4.12Å; L450-C455 WeakPolarHBondContact O-CA 3.44Å; L450-C455 WeakPolarHBondContact O-CB 3.25Å; L450-C455 PolarHBondContact O-N 3.48Å; L450-A459 HydrophobicContact CB-CB 4.09Å; L450-I462 HydrophobicContact CD1-CD1 3.75Å |
| 451 | F | 93.2 | Very high | 94.5 | Very high | 42 Ų | 42 | 44.3 Ų | 44.3 | 18% | 0.184 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -46.2 | 176 | 178.6 | -100.3 | 0 | 0 | 0 | 112.1 | A447 S448 L449 L453 G454 T456 A459 I474 C475 R478 | A447-F451 WeakPolarHBondContact O-CB 3.46Å; A447-F451 PolarHBondContact O-N 3.37Å; S448-F451 WeakPolarHBondContact O-CB 3.41Å; S448-F451 PolarHBondContact O-N 2.9Å; L449-F451 VanDerWaalsContact C-N 3.28Å; L449-F451 PolarHBondContact O-N 3.49Å; F451-L453 VanDerWaalsContact C-N 3.28Å; F451-L453 PolarHBondContact O-N 3.42Å; F451-G454 PolarHBondContact O-N 3.21Å; F451-T456 HydrophobicContact CD2-CG2 4.01Å; F451-T456 HydrophobicContact CE2-CG2 4.04Å; F451-A459 HydrophobicContact CB-CB 3.83Å; F451-I474 HydrophobicContact CE1-CG2 4.35Å; F451-I474 HydrophobicContact CZ-CG2 3.98Å; F451-C475 HydrophobicContact CE2-CB 4.46Å; F451-R478 HydrophobicContact CE2-CB 3.8Å; F451-R478 HydrophobicContact CE2-CG 3.83Å; F451-R478 HydrophobicContact CZ-CB 3.73Å; F451-R478 HydrophobicContact CZ-CG 3.69Å |
| 452 | E | 89.9 | Confident | 94.5 | Very high | 100 Ų | 100 | 44.4 Ų | 44.4 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -35.4 | 175.3 | -75 | 177.7 | -170.4 | 0 | 0 | 112.1 | R397 S448 L449 G454 | R397-E452 IonicContact CZ-OE1 3.04Å; R397-E452 IonicContact NH1-OE1 2.61Å; R397-E452 PolarHBondContact NH1-OE1 3.24Å; S448-E452 WeakPolarHBondContact O-CG 3.49Å; S448-E452 PolarHBondContact O-N 2.95Å; L449-E452 PolarHBondContact O-N 3.36Å; E452-G454 PolarHBondContact O-N 2.99Å |
| 453 | L | 90.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 37% | 0.366 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -6.8 | 174.4 | -73.7 | 172.8 | 0 | 0 | 0 | 114.1 | V403 M407 L449 L450 F451 | V403-L453 HydrophobicContact CB-CD2 4.42Å; V403-L453 HydrophobicContact CG1-CD2 3.93Å; V403-L453 HydrophobicContact CG2-CD1 4.31Å; V403-L453 HydrophobicContact CG2-CD2 3.6Å; V403-L453 HydrophobicContact CG2-CG 4.11Å; M407-L453 HydrophobicContact CB-CD1 4.29Å; M407-L453 HydrophobicContact CG-CD1 4.3Å; M407-L453 HydrophobicContact SD-CD1 3.83Å; L449-L453 HydrophobicContact CG-CD1 4.45Å; L449-L453 WeakPolarHBondContact O-CB 3.46Å; L449-L453 VanDerWaalsContact O-CG 3.31Å; L449-L453 WeakPolarHBondContact O-CG 3.37Å; L449-L453 PolarHBondContact O-N 2.9Å; L450-L453 PolarHBondContact O-N 2.85Å; F451-L453 VanDerWaalsContact C-N 3.28Å; F451-L453 PolarHBondContact O-N 3.42Å |
| 454 | G | 90.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 46 Ų | 46 | 56% | 0.557 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | 3.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L450 F451 E452 T456 | L450-G454 PolarHBondContact O-N 2.89Å; F451-G454 PolarHBondContact O-N 3.21Å; E452-G454 PolarHBondContact O-N 2.99Å; G454-T456 PolarHBondContact O-N 3.46Å |
| 455 | C | 92.6 | Very high | 94.4 | Very high | 55 Ų | 55 | 47.8 Ų | 47.8 | 37% | 0.372 | 27% | 0.266 | S | S | . | . | trans | -79.5 | 54.6 | 173.2 | -62.2 | 0 | 0 | 0 | 0 | 111.2 | L450 S457 S458 A459 | L450-C455 HydrophobicContact CB-CB 4.17Å; L450-C455 HydrophobicContact CD2-CB 4.12Å; L450-C455 WeakPolarHBondContact O-CA 3.44Å; L450-C455 WeakPolarHBondContact O-CB 3.25Å; L450-C455 PolarHBondContact O-N 3.48Å; C455-S457 VanDerWaalsContact C-N 3.3Å; C455-S457 PolarHBondContact O-N 3.31Å; C455-S458 PolarHBondContact O-N 3.43Å; C455-A459 PolarHBondContact O-N 3.08Å; C455-A459 VanDerWaalsContact O-N 3.09Å | ||
| 456 | T | 93.3 | Very high | 94.3 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 22% | 0.221 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -33.1 | -171 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | F451 G454 L460 C475 | F451-T456 HydrophobicContact CD2-CG2 4.01Å; F451-T456 HydrophobicContact CE2-CG2 4.04Å; G454-T456 PolarHBondContact O-N 3.46Å; T456-L460 WeakPolarHBondContact O-CB 3.42Å; T456-L460 PolarHBondContact O-N 2.88Å; T456-C475 HydrophobicContact CG2-CB 4.01Å |
| 457 | S | 92.9 | Very high | 94.2 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 57% | 0.573 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -67.6 | -43.7 | 178.2 | 51.7 | 0 | 0 | 0 | 0 | 113 | C455 L460 Q461 | C455-S457 VanDerWaalsContact C-N 3.3Å; C455-S457 PolarHBondContact O-N 3.31Å; S457-L460 PolarHBondContact O-N 2.97Å; S457-Q461 WeakPolarHBondContact O-CG 3.31Å; S457-Q461 PolarHBondContact O-N 2.8Å; S457-Q461 VanDerWaalsContact O-N 3.11Å |
| 458 | S | 94.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | C455 Q461 I462 | C455-S458 PolarHBondContact O-N 3.43Å; S458-Q461 PolarHBondContact O-N 3.38Å; S458-I462 WeakPolarHBondContact O-CG1 3.3Å; S458-I462 PolarHBondContact O-N 2.93Å |
| 459 | A | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.9 | -47.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | A447 L450 F451 C455 Q461 I462 F463 | A447-A459 HydrophobicContact CB-CB 4.5Å; A447-A459 WeakPolarHBondContact O-CB 3.41Å; L450-A459 HydrophobicContact CB-CB 4.09Å; F451-A459 HydrophobicContact CB-CB 3.83Å; C455-A459 PolarHBondContact O-N 3.08Å; C455-A459 VanDerWaalsContact O-N 3.09Å; A459-Q461 PolarHBondContact O-N 2.97Å; A459-I462 PolarHBondContact O-N 3.48Å; A459-I462 VanDerWaalsContact O-N 3.14Å; A459-F463 HydrophobicContact CB-CD2 4.36Å; A459-F463 HydrophobicContact CB-CE2 4.01Å; A459-F463 WeakPolarHBondContact O-CD2 3.44Å; A459-F463 WeakPolarHBondContact O-CG 3.11Å; A459-F463 PolarHBondContact O-N 3.26Å |
| 460 | L | 95.9 | Very high | 94.1 | Very high | 27 Ų | 27 | 54.7 Ų | 54.7 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 178.1 | 177.7 | 66.4 | 0 | 0 | 0 | 112.1 | T456 S457 I462 F463 E464 V472 C475 Y476 | T456-L460 WeakPolarHBondContact O-CB 3.42Å; T456-L460 PolarHBondContact O-N 2.88Å; S457-L460 PolarHBondContact O-N 2.97Å; L460-I462 VanDerWaalsContact C-N 3.28Å; L460-I462 PolarHBondContact O-N 3.13Å; L460-F463 PolarHBondContact O-N 3.34Å; L460-E464 HydrophobicContact CD1-CG 4.11Å; L460-E464 HydrophobicContact CG-CG 4.37Å; L460-E464 WeakPolarHBondContact O-CB 3.44Å; L460-E464 WeakPolarHBondContact O-CG 3.35Å; L460-E464 PolarHBondContact O-N 3.3Å; L460-V472 HydrophobicContact CD1-CB 4.31Å; L460-V472 HydrophobicContact CD1-CG1 3.8Å; L460-V472 HydrophobicContact CD1-CG2 4.34Å; L460-C475 HydrophobicContact CB-CB 4.41Å; L460-C475 HydrophobicContact CD1-CB 3.99Å; L460-Y476 HydrophobicContact CD1-CD2 4.26Å; L460-Y476 HydrophobicContact CD1-CE2 3.71Å; L460-Y476 HydrophobicContact CD2-CE1 4.01Å; L460-Y476 HydrophobicContact CD2-CE2 4.33Å |
| 461 | Q | 95.9 | Very high | 94.1 | Very high | 132 Ų | 132 | 54.6 Ų | 54.6 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.2 | -39.5 | 177.4 | -73.6 | 173.4 | -4.3 | 0 | 0 | 112.8 | S457 S458 A459 K465 | S457-Q461 WeakPolarHBondContact O-CG 3.31Å; S457-Q461 PolarHBondContact O-N 2.8Å; S457-Q461 VanDerWaalsContact O-N 3.11Å; S458-Q461 PolarHBondContact O-N 3.38Å; A459-Q461 PolarHBondContact O-N 2.97Å; Q461-K465 WeakPolarHBondContact O-CB 3.16Å; Q461-K465 PolarHBondContact O-N 3.34Å |
| 462 | I | 96.5 | Very high | 94.2 | Very high | 36 Ų | 36 | 52.7 Ų | 52.7 | 19% | 0.185 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.3 | -45.7 | 177 | -62.1 | 170.5 | 0 | 0 | 0 | 110 | Q443 L446 A447 L450 S458 A459 L460 E464 K465 L466 | Q443-I462 HydrophobicContact CB-CG2 4.39Å; L446-I462 HydrophobicContact CD2-CD1 4.05Å; L446-I462 HydrophobicContact CG-CD1 4.23Å; A447-I462 HydrophobicContact CB-CB 3.83Å; A447-I462 HydrophobicContact CB-CD1 4.29Å; A447-I462 HydrophobicContact CB-CG2 3.77Å; L450-I462 HydrophobicContact CD1-CD1 3.75Å; S458-I462 WeakPolarHBondContact O-CG1 3.3Å; S458-I462 PolarHBondContact O-N 2.93Å; A459-I462 PolarHBondContact O-N 3.48Å; A459-I462 VanDerWaalsContact O-N 3.14Å; L460-I462 VanDerWaalsContact C-N 3.28Å; L460-I462 PolarHBondContact O-N 3.13Å; I462-E464 VanDerWaalsContact C-N 3.35Å; I462-E464 PolarHBondContact O-N 2.93Å; I462-K465 PolarHBondContact O-N 3.42Å; I462-L466 HydrophobicContact CG2-CD1 3.85Å; I462-L466 HydrophobicContact CG2-CG 4.33Å; I462-L466 VanDerWaalsContact O-CG 3.27Å; I462-L466 WeakPolarHBondContact O-CG 3.27Å; I462-L466 PolarHBondContact O-N 3.17Å |
| 463 | F | 97.3 | Very high | 94.5 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.7 | -66 | -49.7 | 0 | 0 | 0 | 112.7 | R444 A447 A459 L460 L466 E467 M468 D471 V472 | R444-F463 HydrophobicContact CG-CE1 3.99Å; A447-F463 HydrophobicContact CB-CD1 3.77Å; A447-F463 HydrophobicContact CB-CD2 4.25Å; A447-F463 HydrophobicContact CB-CE1 3.35Å; A447-F463 HydrophobicContact CB-CE2 3.89Å; A447-F463 HydrophobicContact CB-CG 4.19Å; A447-F463 HydrophobicContact CB-CZ 3.43Å; A447-F463 VanDerWaalsContact CB-CZ 3.43Å; A459-F463 HydrophobicContact CB-CD2 4.36Å; A459-F463 HydrophobicContact CB-CE2 4.01Å; A459-F463 WeakPolarHBondContact O-CD2 3.44Å; A459-F463 WeakPolarHBondContact O-CG 3.11Å; A459-F463 PolarHBondContact O-N 3.26Å; L460-F463 PolarHBondContact O-N 3.34Å; F463-L466 CarbonylContact O-C 3.59Å; F463-L466 PolarHBondContact O-N 3.29Å; F463-E467 PolarHBondContact O-N 3.04Å; F463-E467 VanDerWaalsContact O-N 3.08Å; F463-M468 HydrophobicContact CB-CB 4.39Å; F463-M468 HydrophobicContact CD1-CB 4.19Å; F463-M468 HydrophobicContact CD1-SD 4.33Å; F463-M468 PolarHBondContact O-N 3.2Å; F463-D471 HydrophobicContact CB-CB 4.29Å; F463-D471 HydrophobicContact CD1-CB 3.5Å; F463-D471 VanDerWaalsContact CD1-CB 3.5Å; F463-D471 HydrophobicContact CD2-CB 3.8Å; F463-D471 HydrophobicContact CE1-CB 3.58Å; F463-D471 HydrophobicContact CE2-CB 3.88Å; F463-D471 HydrophobicContact CG-CB 3.62Å; F463-D471 HydrophobicContact CZ-CB 3.77Å; F463-V472 HydrophobicContact CB-CG2 3.63Å |
| 464 | E | 94.9 | Very high | 94.6 | Very high | 68 Ų | 68 | 48.6 Ų | 48.6 | 32% | 0.318 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 174 | -73.5 | 176.1 | 164.3 | 0 | 0 | 111.2 | L460 I462 L466 E467 V472 Y476 | L460-E464 HydrophobicContact CD1-CG 4.11Å; L460-E464 HydrophobicContact CG-CG 4.37Å; L460-E464 WeakPolarHBondContact O-CB 3.44Å; L460-E464 WeakPolarHBondContact O-CG 3.35Å; L460-E464 PolarHBondContact O-N 3.3Å; I462-E464 VanDerWaalsContact C-N 3.35Å; I462-E464 PolarHBondContact O-N 2.93Å; E464-L466 PolarHBondContact O-N 2.95Å; E464-E467 PolarHBondContact O-N 3.41Å; E464-E467 VanDerWaalsContact O-N 3.08Å; E464-V472 HydrophobicContact CG-CG1 4.31Å; E464-V472 HydrophobicContact CG-CG2 3.86Å; E464-Y476 PolarHBondContact OE1-OH 2.89Å; E464-Y476 VanDerWaalsContact OE1-OH 3.07Å |
| 465 | K | 95.4 | Very high | 94.8 | Very high | 143 Ų | 143 | 46.1 Ų | 46.1 | 62% | 0.622 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.5 | -33.6 | 175 | -178.7 | -177.8 | 175.6 | -174.4 | 0 | 112.4 | L154 Q461 I462 | L154-K465 WeakPolarHBondContact CD1-O 3.45Å; Q461-K465 WeakPolarHBondContact O-CB 3.16Å; Q461-K465 PolarHBondContact O-N 3.34Å; I462-K465 PolarHBondContact O-N 3.42Å |
| 466 | L | 94.7 | Very high | 94.9 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.8 | 179.3 | -63.8 | 176.1 | 0 | 0 | 0 | 113.6 | Y152 W440 Q443 I462 F463 E464 M468 | Y152-L466 WeakPolarHBondContact CE2-O 3.42Å; Y152-L466 PolarHBondContact OH-O 3.08Å; W440-L466 HydrophobicContact CB-CD2 4.15Å; Q443-L466 HydrophobicContact CB-CD1 3.76Å; Q443-L466 HydrophobicContact CB-CD2 4.35Å; I462-L466 HydrophobicContact CG2-CD1 3.85Å; I462-L466 HydrophobicContact CG2-CG 4.33Å; I462-L466 VanDerWaalsContact O-CG 3.27Å; I462-L466 WeakPolarHBondContact O-CG 3.27Å; I462-L466 PolarHBondContact O-N 3.17Å; F463-L466 CarbonylContact O-C 3.59Å; F463-L466 PolarHBondContact O-N 3.29Å; E464-L466 PolarHBondContact O-N 2.95Å; L466-M468 HydrophobicContact CB-CB 4.49Å; L466-M468 HydrophobicContact CB-CE 4.23Å; L466-M468 HydrophobicContact CB-CG 3.81Å; L466-M468 HydrophobicContact CB-SD 4.05Å; L466-M468 HydrophobicContact CD1-CE 4.06Å; L466-M468 HydrophobicContact CD1-SD 3.87Å; L466-M468 PolarHBondContact O-N 3.46Å; L466-M468 VanDerWaalsContact O-N 3.14Å |
| 467 | E | 93.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 46.9 Ų | 46.9 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 31.7 | -173 | -65.5 | 180 | -178.7 | 0 | 0 | 113.1 | S153 L154 F463 E464 W469 | S153-E467 PolarHBondContact OG-OE2 2.89Å; L154-E467 HydrophobicContact CD1-CB 4.14Å; L154-E467 HydrophobicContact CD1-CG 3.93Å; L154-E467 HydrophobicContact CD2-CG 4.42Å; L154-E467 HydrophobicContact CG-CB 4.43Å; L154-E467 HydrophobicContact CG-CG 4.26Å; F463-E467 PolarHBondContact O-N 3.04Å; F463-E467 VanDerWaalsContact O-N 3.08Å; E464-E467 PolarHBondContact O-N 3.41Å; E464-E467 VanDerWaalsContact O-N 3.08Å; E467-W469 HydrophobicContact CB-CZ2 4.22Å; E467-W469 HydrophobicContact CG-CZ2 3.97Å; E467-W469 PolarHBondContact O-N 3.32Å; E467-W469 PolarHBondContact O-NE1 2.96Å |
| 468 | M | 94.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 51.6 Ų | 51.6 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | trans | -84.5 | 67 | 177.9 | -70.5 | -176.7 | 175.1 | 0 | 0 | 110.1 | Y152 W440 R444 F463 L466 E470 D471 V472 | Y152-M468 HydrophobicContact CE2-CE 4.13Å; W440-M468 HydrophobicContact CB-CE 4.25Å; R444-M468 HydrophobicContact CB-CE 3.88Å; R444-M468 HydrophobicContact CB-SD 3.61Å; R444-M468 WeakPolarHBondContact CD-SD 3.12Å; R444-M468 HydrophobicContact CG-CE 4.18Å; R444-M468 HydrophobicContact CG-SD 3.43Å; R444-M468 WeakPolarHBondContact CG-SD 3.33Å; F463-M468 HydrophobicContact CB-CB 4.39Å; F463-M468 HydrophobicContact CD1-CB 4.19Å; F463-M468 HydrophobicContact CD1-SD 4.33Å; F463-M468 PolarHBondContact O-N 3.2Å; L466-M468 HydrophobicContact CB-CB 4.49Å; L466-M468 HydrophobicContact CB-CE 4.23Å; L466-M468 HydrophobicContact CB-CG 3.81Å; L466-M468 HydrophobicContact CB-SD 4.05Å; L466-M468 HydrophobicContact CD1-CE 4.06Å; L466-M468 HydrophobicContact CD1-SD 3.87Å; L466-M468 PolarHBondContact O-N 3.46Å; L466-M468 VanDerWaalsContact O-N 3.14Å; M468-E470 PolarHBondContact O-N 2.91Å; M468-E470 VanDerWaalsContact O-N 3.12Å; M468-D471 HydrophobicContact CB-CB 4.35Å; M468-D471 PolarHBondContact O-N 3.06Å; M468-V472 WeakPolarHBondContact O-CG2 3.49Å; M468-V472 PolarHBondContact O-N 3.16Å | ||
| 469 | W | 94.4 | Very high | 94.4 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.3 | -29.9 | -169.8 | -59.6 | 113.6 | 0 | 0 | 0 | 114.2 | E467 V472 V473 I488 L489 E492 L501 L504 | E467-W469 HydrophobicContact CB-CZ2 4.22Å; E467-W469 HydrophobicContact CG-CZ2 3.97Å; E467-W469 PolarHBondContact O-N 3.32Å; E467-W469 PolarHBondContact O-NE1 2.96Å; W469-V472 HydrophobicContact CE3-CB 4.36Å; W469-V472 HydrophobicContact CE3-CG1 4.3Å; W469-V472 HydrophobicContact CE3-CG2 4.24Å; W469-V472 PolarHBondContact O-N 3.45Å; W469-V473 VanDerWaalsContact O-CG2 3.24Å; W469-V473 WeakPolarHBondContact O-CG2 3.49Å; W469-V473 PolarHBondContact O-N 3.32Å; W469-I488 HydrophobicContact CE3-CG2 4.18Å; W469-I488 HydrophobicContact CZ3-CG2 3.73Å; W469-L489 HydrophobicContact CB-CD2 4.32Å; W469-E492 HydrophobicContact CD2-CG 4.34Å; W469-E492 HydrophobicContact CE3-CG 4.29Å; W469-E492 HydrophobicContact CH2-CG 3.47Å; W469-E492 VanDerWaalsContact CH2-CG 3.47Å; W469-E492 VanDerWaalsContact CZ2-CD 3.49Å; W469-E492 HydrophobicContact CZ2-CG 3.52Å; W469-E492 HydrophobicContact CZ3-CG 3.88Å; W469-L501 HydrophobicContact CB-CD2 4.13Å; W469-L501 HydrophobicContact CD2-CD2 4.37Å; W469-L501 HydrophobicContact CG-CD2 3.74Å; W469-L504 HydrophobicContact CB-CD1 3.53Å |
| 470 | E | 93.1 | Very high | 94 | Very high | 89 Ų | 89 | 54.2 Ų | 54.2 | 42% | 0.416 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.5 | -47.6 | 173.5 | -170.4 | 171.6 | 159.1 | 0 | 0 | 112 | M468 V472 V473 I474 L504 R528 | M468-E470 PolarHBondContact O-N 2.91Å; M468-E470 VanDerWaalsContact O-N 3.12Å; E470-V472 VanDerWaalsContact C-N 3.32Å; E470-V472 PolarHBondContact O-N 3.03Å; E470-V473 PolarHBondContact O-N 3Å; E470-I474 HydrophobicContact CG-CD1 4.44Å; E470-I474 VanDerWaalsContact O-CG1 3.31Å; E470-I474 WeakPolarHBondContact O-CG1 3.36Å; E470-I474 PolarHBondContact O-N 3.04Å; E470-L504 HydrophobicContact CB-CD1 4.47Å; E470-L504 HydrophobicContact CB-CD2 3.83Å; E470-L504 HydrophobicContact CG-CD2 3.96Å; E470-R528 IonicContact OE2-CZ 2.73Å; E470-R528 IonicContact OE2-NH1 3.95Å; E470-R528 IonicContact OE2-NH2 3.95Å; E470-R528 PolarHBondContact OE2-NH2 3.25Å |
| 471 | D | 95.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 10% | 0.096 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.2 | -32.3 | 177.5 | -61 | -57.8 | 0 | 0 | 0 | 111.4 | R444 F463 M468 I474 C475 | R444-D471 IonicContact CZ-OD1 3.63Å; R444-D471 IonicContact CZ-OD2 2.86Å; R444-D471 IonicContact NE-OD1 2.82Å; R444-D471 IonicContact NE-OD2 2.64Å; R444-D471 PolarHBondContact NE-OD2 3.11Å; R444-D471 IonicContact NH2-OD1 3.7Å; R444-D471 PolarHBondContact NH2-OD1 3.14Å; R444-D471 IonicContact NH2-OD2 3.81Å; R444-D471 PolarHBondContact NH2-OD2 3Å; F463-D471 HydrophobicContact CB-CB 4.29Å; F463-D471 HydrophobicContact CD1-CB 3.5Å; F463-D471 VanDerWaalsContact CD1-CB 3.5Å; F463-D471 HydrophobicContact CD2-CB 3.8Å; F463-D471 HydrophobicContact CE1-CB 3.58Å; F463-D471 HydrophobicContact CE2-CB 3.88Å; F463-D471 HydrophobicContact CG-CB 3.62Å; F463-D471 HydrophobicContact CZ-CB 3.77Å; M468-D471 HydrophobicContact CB-CB 4.35Å; M468-D471 PolarHBondContact O-N 3.06Å; D471-I474 PolarHBondContact O-N 3.37Å; D471-C475 PolarHBondContact O-N 3.15Å; D471-C475 PolarHBondContact O-SG 2.87Å |
| 472 | V | 96.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.018 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 171.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | L460 F463 E464 M468 W469 E470 I474 C475 Y476 | L460-V472 HydrophobicContact CD1-CB 4.31Å; L460-V472 HydrophobicContact CD1-CG1 3.8Å; L460-V472 HydrophobicContact CD1-CG2 4.34Å; F463-V472 HydrophobicContact CB-CG2 3.63Å; E464-V472 HydrophobicContact CG-CG1 4.31Å; E464-V472 HydrophobicContact CG-CG2 3.86Å; M468-V472 WeakPolarHBondContact O-CG2 3.49Å; M468-V472 PolarHBondContact O-N 3.16Å; W469-V472 HydrophobicContact CE3-CB 4.36Å; W469-V472 HydrophobicContact CE3-CG1 4.3Å; W469-V472 HydrophobicContact CE3-CG2 4.24Å; W469-V472 PolarHBondContact O-N 3.45Å; E470-V472 VanDerWaalsContact C-N 3.32Å; E470-V472 PolarHBondContact O-N 3.03Å; V472-I474 PolarHBondContact O-N 3.36Å; V472-C475 WeakPolarHBondContact O-CB 3.21Å; V472-C475 PolarHBondContact O-N 3.31Å; V472-C475 VanDerWaalsContact O-N 3.16Å; V472-Y476 HydrophobicContact CG1-CD2 3.78Å; V472-Y476 HydrophobicContact CG1-CE2 3.53Å; V472-Y476 VanDerWaalsContact O-CD2 3.26Å; V472-Y476 WeakPolarHBondContact O-CD2 3.39Å; V472-Y476 PolarHBondContact O-N 3.23Å |
| 473 | V | 94.6 | Very high | 93.4 | Very high | 12 Ų | 12 | 55.9 Ų | 55.9 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.9 | -49.1 | 176.1 | 168 | 0 | 0 | 0 | 0 | 110.1 | W469 E470 C475 Y476 E477 A485 L489 V508 | W469-V473 VanDerWaalsContact O-CG2 3.24Å; W469-V473 WeakPolarHBondContact O-CG2 3.49Å; W469-V473 PolarHBondContact O-N 3.32Å; E470-V473 PolarHBondContact O-N 3Å; V473-C475 PolarHBondContact O-N 3.26Å; V473-Y476 PolarHBondContact O-N 3.13Å; V473-E477 HydrophobicContact CG1-CG 4.22Å; V473-E477 WeakPolarHBondContact O-CG 3.49Å; V473-E477 PolarHBondContact O-N 3.36Å; V473-A485 HydrophobicContact CG1-CB 4.48Å; V473-A485 HydrophobicContact CG2-CB 4.45Å; V473-L489 HydrophobicContact CG2-CD1 3.82Å; V473-L489 HydrophobicContact CG2-CD2 4.26Å; V473-L489 HydrophobicContact CG2-CG 4.2Å; V473-V508 HydrophobicContact CB-CG2 4.48Å; V473-V508 HydrophobicContact CG1-CG2 3.46Å; V473-V508 VanDerWaalsContact CG1-CG2 3.46Å; V473-V508 HydrophobicContact CG2-CG2 4.13Å |
| 474 | I | 94.3 | Very high | 93.1 | Very high | 71 Ų | 71 | 60.4 Ų | 60.4 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.6 | -39.6 | 177.4 | -68.1 | 165.7 | 0 | 0 | 0 | 111.3 | F451 E470 D471 V472 E477 R478 | F451-I474 HydrophobicContact CE1-CG2 4.35Å; F451-I474 HydrophobicContact CZ-CG2 3.98Å; E470-I474 HydrophobicContact CG-CD1 4.44Å; E470-I474 VanDerWaalsContact O-CG1 3.31Å; E470-I474 WeakPolarHBondContact O-CG1 3.36Å; E470-I474 PolarHBondContact O-N 3.04Å; D471-I474 PolarHBondContact O-N 3.37Å; V472-I474 PolarHBondContact O-N 3.36Å; I474-E477 PolarHBondContact O-N 2.98Å; I474-R478 WeakPolarHBondContact O-CB 3.48Å; I474-R478 PolarHBondContact O-N 2.98Å |
| 475 | C | 94.3 | Very high | 93.1 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 175.8 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | F451 T456 L460 D471 V472 V473 R478 A479 | F451-C475 HydrophobicContact CE2-CB 4.46Å; T456-C475 HydrophobicContact CG2-CB 4.01Å; L460-C475 HydrophobicContact CB-CB 4.41Å; L460-C475 HydrophobicContact CD1-CB 3.99Å; D471-C475 PolarHBondContact O-N 3.15Å; D471-C475 PolarHBondContact O-SG 2.87Å; V472-C475 WeakPolarHBondContact O-CB 3.21Å; V472-C475 PolarHBondContact O-N 3.31Å; V472-C475 VanDerWaalsContact O-N 3.16Å; V473-C475 PolarHBondContact O-N 3.26Å; C475-R478 PolarHBondContact O-N 3.24Å; C475-A479 WeakPolarHBondContact O-CB 3.35Å; C475-A479 PolarHBondContact O-N 3.29Å; C475-A479 VanDerWaalsContact O-N 3.07Å |
| 476 | Y | 94.1 | Very high | 93 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67 | -39.4 | 177.3 | -77.3 | -63 | 0 | 0 | 0 | 112.6 | L460 E464 V472 V473 A479 G480 Q481 K484 A485 I488 | L460-Y476 HydrophobicContact CD1-CD2 4.26Å; L460-Y476 HydrophobicContact CD1-CE2 3.71Å; L460-Y476 HydrophobicContact CD2-CE1 4.01Å; L460-Y476 HydrophobicContact CD2-CE2 4.33Å; E464-Y476 PolarHBondContact OE1-OH 2.89Å; E464-Y476 VanDerWaalsContact OE1-OH 3.07Å; V472-Y476 HydrophobicContact CG1-CD2 3.78Å; V472-Y476 HydrophobicContact CG1-CE2 3.53Å; V472-Y476 VanDerWaalsContact O-CD2 3.26Å; V472-Y476 WeakPolarHBondContact O-CD2 3.39Å; V472-Y476 PolarHBondContact O-N 3.23Å; V473-Y476 PolarHBondContact O-N 3.13Å; Y476-A479 CarbonylContact O-C 3.53Å; Y476-A479 PolarHBondContact O-N 2.81Å; Y476-G480 PolarHBondContact O-N 2.65Å; Y476-G480 VanDerWaalsContact O-N 3.12Å; Y476-Q481 HydrophobicContact CD1-CB 4.1Å; Y476-Q481 PolarHBondContact O-N 3.24Å; Y476-K484 HydrophobicContact CD1-CB 4.04Å; Y476-K484 HydrophobicContact CE1-CB 4.13Å; Y476-K484 HydrophobicContact CE1-CD 4.23Å; Y476-A485 HydrophobicContact CD2-CB 4.44Å; Y476-A485 HydrophobicContact CG-CB 4.41Å; Y476-I488 HydrophobicContact CD2-CD1 4.18Å; Y476-I488 HydrophobicContact CE1-CD1 4.3Å; Y476-I488 HydrophobicContact CE2-CD1 3.2Å; Y476-I488 WeakPolarHBondContact OH-CD1 3.29Å |
| 477 | E | 90.5 | Very high | 93 | Very high | 81 Ų | 81 | 58 Ų | 58 | 38% | 0.379 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 174.8 | -69 | -167.3 | 144.4 | 0 | 0 | 111.7 | V473 I474 A479 G480 | V473-E477 HydrophobicContact CG1-CG 4.22Å; V473-E477 WeakPolarHBondContact O-CG 3.49Å; V473-E477 PolarHBondContact O-N 3.36Å; I474-E477 PolarHBondContact O-N 2.98Å; E477-A479 PolarHBondContact O-N 2.63Å; E477-G480 PolarHBondContact O-N 2.84Å |
| 478 | R | 89.6 | Confident | 93 | Very high | 181 Ų | 181 | 55.6 Ų | 55.6 | 68% | 0.683 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62 | -31.8 | 175.4 | -173.6 | 60.4 | 146.6 | 85 | 5.5 | 112.6 | F451 I474 C475 G480 | F451-R478 HydrophobicContact CE2-CB 3.8Å; F451-R478 HydrophobicContact CE2-CG 3.83Å; F451-R478 HydrophobicContact CZ-CB 3.73Å; F451-R478 HydrophobicContact CZ-CG 3.69Å; I474-R478 WeakPolarHBondContact O-CB 3.48Å; I474-R478 PolarHBondContact O-N 2.98Å; C475-R478 PolarHBondContact O-N 3.24Å; R478-G480 VanDerWaalsContact C-N 3.27Å |
| 479 | A | 90 | Very high | 93 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -2.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | C475 Y476 E477 Q481 | C475-A479 WeakPolarHBondContact O-CB 3.35Å; C475-A479 PolarHBondContact O-N 3.29Å; C475-A479 VanDerWaalsContact O-N 3.07Å; Y476-A479 CarbonylContact O-C 3.53Å; Y476-A479 PolarHBondContact O-N 2.81Å; E477-A479 PolarHBondContact O-N 2.63Å; A479-Q481 VanDerWaalsContact C-N 3.29Å; A479-Q481 HydrophobicContact CB-CG 4.3Å; A479-Q481 PolarHBondContact O-N 2.85Å |
| 480 | G | 89.2 | Confident | 93 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 18.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y476 E477 R478 | Y476-G480 PolarHBondContact O-N 2.65Å; Y476-G480 VanDerWaalsContact O-N 3.12Å; E477-G480 PolarHBondContact O-N 2.84Å; R478-G480 VanDerWaalsContact C-N 3.27Å |
| 481 | Q | 91.8 | Very high | 93.1 | Very high | 74 Ų | 74 | 57.9 Ų | 57.9 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | trans | -105.2 | 53 | -174.1 | -63.8 | 179.4 | 28 | 0 | 0 | 111.8 | Y476 A479 G483 K484 A485 | Y476-Q481 HydrophobicContact CD1-CB 4.1Å; Y476-Q481 PolarHBondContact O-N 3.24Å; A479-Q481 VanDerWaalsContact C-N 3.29Å; A479-Q481 HydrophobicContact CB-CG 4.3Å; A479-Q481 PolarHBondContact O-N 2.85Å; Q481-G483 VanDerWaalsContact C-N 3.3Å; Q481-G483 PolarHBondContact O-N 3.03Å; Q481-K484 HydrophobicContact CB-CB 4.33Å; Q481-K484 HydrophobicContact CB-CD 4.42Å; Q481-K484 HydrophobicContact CB-CG 4.38Å; Q481-K484 PolarHBondContact O-N 2.89Å; Q481-K484 VanDerWaalsContact O-N 3.07Å; Q481-K484 VanDerWaalsContact OE1-CD 3.22Å; Q481-K484 VanDerWaalsContact OE1-CE 3.26Å; Q481-A485 PolarHBondContact O-N 3.37Å | ||
| 482 | H | 90.6 | Very high | 93 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -55.4 | -40.5 | -176.9 | -59.5 | -72.2 | 0 | 0 | 0 | 113.7 | K484 A485 E486 | H482-K484 VanDerWaalsContact C-N 3.28Å; H482-K484 PolarHBondContact O-N 3.48Å; H482-A485 WeakPolarHBondContact O-CB 3.17Å; H482-A485 PolarHBondContact O-N 3.38Å; H482-E486 PolarHBondContact O-N 3.28Å |
| 483 | G | 92.6 | Very high | 92.8 | Very high | 50 Ų | 50 | 59 Ų | 59 | 52% | 0.515 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -30.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q481 E487 | Q481-G483 VanDerWaalsContact C-N 3.3Å; Q481-G483 PolarHBondContact O-N 3.03Å; G483-E487 WeakPolarHBondContact O-CB 3.42Å; G483-E487 PolarHBondContact O-N 3.49Å |
| 484 | K | 92.3 | Very high | 92.8 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -74.2 | -34.8 | 175.6 | -66.7 | -164.4 | -168.5 | 167.1 | 0 | 112.4 | Y476 Q481 H482 E486 E487 I488 | Y476-K484 HydrophobicContact CD1-CB 4.04Å; Y476-K484 HydrophobicContact CE1-CB 4.13Å; Y476-K484 HydrophobicContact CE1-CD 4.23Å; Q481-K484 HydrophobicContact CB-CB 4.33Å; Q481-K484 HydrophobicContact CB-CD 4.42Å; Q481-K484 HydrophobicContact CB-CG 4.38Å; Q481-K484 PolarHBondContact O-N 2.89Å; Q481-K484 VanDerWaalsContact O-N 3.07Å; Q481-K484 VanDerWaalsContact OE1-CD 3.22Å; Q481-K484 VanDerWaalsContact OE1-CE 3.26Å; H482-K484 VanDerWaalsContact C-N 3.28Å; H482-K484 PolarHBondContact O-N 3.48Å; K484-E486 VanDerWaalsContact C-N 3.3Å; K484-E486 PolarHBondContact O-N 3.46Å; K484-E487 PolarHBondContact O-N 2.88Å; K484-I488 WeakPolarHBondContact O-CG1 3.34Å; K484-I488 PolarHBondContact O-N 3.03Å |
| 485 | A | 93.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.008 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | V473 Y476 Q481 H482 L489 | V473-A485 HydrophobicContact CG1-CB 4.48Å; V473-A485 HydrophobicContact CG2-CB 4.45Å; Y476-A485 HydrophobicContact CD2-CB 4.44Å; Y476-A485 HydrophobicContact CG-CB 4.41Å; Q481-A485 PolarHBondContact O-N 3.37Å; H482-A485 WeakPolarHBondContact O-CB 3.17Å; H482-A485 PolarHBondContact O-N 3.38Å; A485-L489 VanDerWaalsContact O-CG 3.29Å; A485-L489 WeakPolarHBondContact O-CG 3.47Å; A485-L489 PolarHBondContact O-N 2.8Å |
| 486 | E | 94.5 | Very high | 92.1 | Very high | 57 Ų | 57 | 75.8 Ų | 75.8 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 174.1 | -175.1 | -169.7 | 166.3 | 0 | 0 | 112 | H482 K484 I488 L489 R490 L505 V508 L509 | H482-E486 PolarHBondContact O-N 3.28Å; K484-E486 VanDerWaalsContact C-N 3.3Å; K484-E486 PolarHBondContact O-N 3.46Å; E486-I488 VanDerWaalsContact C-N 3.34Å; E486-I488 PolarHBondContact O-N 3.26Å; E486-L489 PolarHBondContact O-N 2.68Å; E486-R490 WeakPolarHBondContact O-CG 3.36Å; E486-R490 PolarHBondContact O-N 3.33Å; E486-R490 IonicContact OE1-CZ 3.22Å; E486-R490 IonicContact OE1-NE 2.72Å; E486-R490 PolarHBondContact OE1-NE 3.32Å; E486-R490 IonicContact OE1-NH2 2.88Å; E486-R490 PolarHBondContact OE1-NH2 2.93Å; E486-L505 HydrophobicContact CG-CD1 3.97Å; E486-V508 HydrophobicContact CB-CG1 4.37Å; E486-L509 HydrophobicContact CG-CD2 4.03Å |
| 487 | E | 94.2 | Very high | 91.9 | Very high | 109 Ų | 109 | 79 Ų | 79 | 51% | 0.509 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.4 | -47.2 | -178.3 | -174.4 | -177.7 | 175.1 | 0 | 0 | 111.8 | G483 K484 R490 Q491 | G483-E487 WeakPolarHBondContact O-CB 3.42Å; G483-E487 PolarHBondContact O-N 3.49Å; K484-E487 PolarHBondContact O-N 2.88Å; E487-R490 PolarHBondContact O-N 2.88Å; E487-Q491 WeakPolarHBondContact O-CG 3.43Å; E487-Q491 PolarHBondContact O-N 3.47Å; E487-Q491 PolarHBondContact OE1-NE2 2.89Å |
| 488 | I | 93.9 | Very high | 91.9 | Very high | 23 Ų | 23 | 76.5 Ų | 76.5 | 12% | 0.118 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.2 | -44.3 | -180 | -71.7 | 165.2 | 0 | 0 | 0 | 110.9 | W469 Y476 K484 E486 R490 Q491 E492 | W469-I488 HydrophobicContact CE3-CG2 4.18Å; W469-I488 HydrophobicContact CZ3-CG2 3.73Å; Y476-I488 HydrophobicContact CD2-CD1 4.18Å; Y476-I488 HydrophobicContact CE1-CD1 4.3Å; Y476-I488 HydrophobicContact CE2-CD1 3.2Å; Y476-I488 WeakPolarHBondContact OH-CD1 3.29Å; K484-I488 WeakPolarHBondContact O-CG1 3.34Å; K484-I488 PolarHBondContact O-N 3.03Å; E486-I488 VanDerWaalsContact C-N 3.34Å; E486-I488 PolarHBondContact O-N 3.26Å; I488-R490 VanDerWaalsContact C-N 3.28Å; I488-R490 PolarHBondContact O-N 2.82Å; I488-Q491 WeakPolarHBondContact O-CB 3.4Å; I488-Q491 PolarHBondContact O-N 3.18Å; I488-Q491 VanDerWaalsContact O-N 3.17Å; I488-E492 HydrophobicContact CG2-CG 4.43Å; I488-E492 WeakPolarHBondContact O-CG 3.48Å; I488-E492 PolarHBondContact O-N 2.81Å |
| 489 | L | 94.4 | Very high | 92 | Very high | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 177 | -70.6 | 174.4 | 0 | 0 | 0 | 111.9 | W469 V473 A485 E486 E492 L493 L501 L504 L505 V508 | W469-L489 HydrophobicContact CB-CD2 4.32Å; V473-L489 HydrophobicContact CG2-CD1 3.82Å; V473-L489 HydrophobicContact CG2-CD2 4.26Å; V473-L489 HydrophobicContact CG2-CG 4.2Å; A485-L489 VanDerWaalsContact O-CG 3.29Å; A485-L489 WeakPolarHBondContact O-CG 3.47Å; A485-L489 PolarHBondContact O-N 2.8Å; E486-L489 PolarHBondContact O-N 2.68Å; L489-E492 PolarHBondContact O-N 3.41Å; L489-L493 WeakPolarHBondContact O-CB 3.19Å; L489-L493 VanDerWaalsContact O-CG 3.26Å; L489-L493 WeakPolarHBondContact O-CG 3.18Å; L489-L493 PolarHBondContact O-N 2.99Å; L489-L501 HydrophobicContact CD2-CD2 3.89Å; L489-L504 HydrophobicContact CD1-CB 4.13Å; L489-L504 HydrophobicContact CD2-CB 4.07Å; L489-L504 HydrophobicContact CD2-CD1 4.38Å; L489-L505 HydrophobicContact CB-CD1 4.2Å; L489-L505 HydrophobicContact CD1-CB 4.33Å; L489-L505 HydrophobicContact CD1-CD1 4.38Å; L489-V508 HydrophobicContact CD1-CG2 3.94Å |
| 490 | R | 95.2 | Very high | 92 | Very high | 110 Ų | 110 | 68.6 Ų | 68.6 | 42% | 0.415 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -43.5 | 174.5 | -69.9 | -177.2 | -175.8 | -72.6 | -1.1 | 111.8 | E486 E487 I488 E492 L493 E494 L505 | E486-R490 WeakPolarHBondContact O-CG 3.36Å; E486-R490 PolarHBondContact O-N 3.33Å; E486-R490 IonicContact OE1-CZ 3.22Å; E486-R490 IonicContact OE1-NE 2.72Å; E486-R490 PolarHBondContact OE1-NE 3.32Å; E486-R490 IonicContact OE1-NH2 2.88Å; E486-R490 PolarHBondContact OE1-NH2 2.93Å; E487-R490 PolarHBondContact O-N 2.88Å; I488-R490 VanDerWaalsContact C-N 3.28Å; I488-R490 PolarHBondContact O-N 2.82Å; R490-E492 VanDerWaalsContact C-N 3.33Å; R490-E492 PolarHBondContact O-N 2.85Å; R490-L493 PolarHBondContact O-N 3.41Å; R490-E494 WeakPolarHBondContact O-CG 3.48Å; R490-E494 PolarHBondContact O-N 3.06Å; R490-L505 HydrophobicContact CG-CD1 4.4Å |
| 491 | Q | 94.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 66.5 Ų | 66.5 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.8 | -72.1 | 174.8 | 8.9 | 0 | 0 | 112 | E487 I488 E494 K495 | E487-Q491 WeakPolarHBondContact O-CG 3.43Å; E487-Q491 PolarHBondContact O-N 3.47Å; E487-Q491 PolarHBondContact OE1-NE2 2.89Å; I488-Q491 WeakPolarHBondContact O-CB 3.4Å; I488-Q491 PolarHBondContact O-N 3.18Å; I488-Q491 VanDerWaalsContact O-N 3.17Å; Q491-E494 PolarHBondContact O-N 3.21Å; Q491-K495 PolarHBondContact O-N 3.28Å |
| 492 | E | 92.6 | Very high | 92.4 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.7 | -36 | 176.8 | -63.7 | -51.3 | 137.7 | 0 | 0 | 112.4 | W469 I488 L489 R490 E494 K495 K496 L501 | W469-E492 HydrophobicContact CD2-CG 4.34Å; W469-E492 HydrophobicContact CE3-CG 4.29Å; W469-E492 HydrophobicContact CH2-CG 3.47Å; W469-E492 VanDerWaalsContact CH2-CG 3.47Å; W469-E492 VanDerWaalsContact CZ2-CD 3.49Å; W469-E492 HydrophobicContact CZ2-CG 3.52Å; W469-E492 HydrophobicContact CZ3-CG 3.88Å; I488-E492 HydrophobicContact CG2-CG 4.43Å; I488-E492 WeakPolarHBondContact O-CG 3.48Å; I488-E492 PolarHBondContact O-N 2.81Å; L489-E492 PolarHBondContact O-N 3.41Å; R490-E492 VanDerWaalsContact C-N 3.33Å; R490-E492 PolarHBondContact O-N 2.85Å; E492-E494 VanDerWaalsContact C-N 3.31Å; E492-E494 PolarHBondContact O-N 2.91Å; E492-K495 WeakPolarHBondContact O-CB 3.46Å; E492-K495 PolarHBondContact O-N 3.4Å; E492-K495 VanDerWaalsContact O-N 3.16Å; E492-K495 IonicContact OE1-NZ 3.72Å; E492-K495 PolarHBondContact OE1-NZ 3.35Å; E492-K495 WeakPolarHBondContact OE2-CD 3.5Å; E492-K495 IonicContact OE2-NZ 2.99Å; E492-K495 PolarHBondContact OE2-NZ 2.78Å; E492-K496 PolarHBondContact O-N 2.97Å; E492-L501 HydrophobicContact CB-CD1 3.92Å; E492-L501 HydrophobicContact CB-CD2 4.31Å |
| 493 | L | 93.6 | Very high | 92.6 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.9 | -36.1 | 173.1 | -77.5 | 168.1 | 0 | 0 | 0 | 112.4 | L489 R490 K495 K496 E497 L501 Y502 L505 | L489-L493 WeakPolarHBondContact O-CB 3.19Å; L489-L493 VanDerWaalsContact O-CG 3.26Å; L489-L493 WeakPolarHBondContact O-CG 3.18Å; L489-L493 PolarHBondContact O-N 2.99Å; R490-L493 PolarHBondContact O-N 3.41Å; L493-K495 VanDerWaalsContact C-N 3.29Å; L493-K495 PolarHBondContact O-N 2.9Å; L493-K496 CarbonylContact O-C 3.54Å; L493-K496 PolarHBondContact O-N 3.38Å; L493-E497 PolarHBondContact O-N 3.47Å; L493-L501 HydrophobicContact CD2-CB 3.57Å; L493-L501 HydrophobicContact CD2-CD1 4.27Å; L493-L501 HydrophobicContact CG-CB 3.99Å; L493-L501 HydrophobicContact CG-CD1 4.46Å; L493-Y502 HydrophobicContact CD1-CD1 4.05Å; L493-Y502 HydrophobicContact CD1-CE1 4.01Å; L493-Y502 HydrophobicContact CD2-CD1 4.22Å; L493-Y502 HydrophobicContact CD2-CD2 3.67Å; L493-Y502 HydrophobicContact CD2-CE1 4.22Å; L493-Y502 HydrophobicContact CD2-CE2 3.68Å; L493-Y502 HydrophobicContact CD2-CG 3.95Å; L493-L505 HydrophobicContact CD1-CB 4.45Å; L493-L505 HydrophobicContact CD1-CD2 3.65Å |
| 494 | E | 93.5 | Very high | 92.7 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 79% | 0.785 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -63.9 | -33.6 | 173.8 | -74 | 175.8 | -172.4 | 0 | 0 | 112.4 | R490 Q491 E492 | R490-E494 WeakPolarHBondContact O-CG 3.48Å; R490-E494 PolarHBondContact O-N 3.06Å; Q491-E494 PolarHBondContact O-N 3.21Å; E492-E494 VanDerWaalsContact C-N 3.31Å; E492-E494 PolarHBondContact O-N 2.91Å |
| 495 | K | 89.6 | Confident | 92.8 | Very high | 147 Ų | 147 | 53.2 Ų | 53.2 | 64% | 0.639 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -73.6 | -48.8 | 175.2 | -62.8 | 175.7 | -162.4 | 164.4 | 0 | 111.5 | Q491 E492 L493 | Q491-K495 PolarHBondContact O-N 3.28Å; E492-K495 WeakPolarHBondContact O-CB 3.46Å; E492-K495 PolarHBondContact O-N 3.4Å; E492-K495 VanDerWaalsContact O-N 3.16Å; E492-K495 IonicContact OE1-NZ 3.72Å; E492-K495 PolarHBondContact OE1-NZ 3.35Å; E492-K495 WeakPolarHBondContact OE2-CD 3.5Å; E492-K495 IonicContact OE2-NZ 2.99Å; E492-K495 PolarHBondContact OE2-NZ 2.78Å; L493-K495 VanDerWaalsContact C-N 3.29Å; L493-K495 PolarHBondContact O-N 2.9Å |
| 496 | K | 85.3 | Confident | 92.9 | Very high | 122 Ų | 122 | 53.1 Ų | 53.1 | 53% | 0.53 | 25% | 0.248 | S | C | . | . | trans | -154.8 | 114.4 | -178.9 | -174 | -179.7 | 177.5 | -177.4 | 0 | 111.2 | E492 L493 T498 | E492-K496 PolarHBondContact O-N 2.97Å; L493-K496 CarbonylContact O-C 3.54Å; L493-K496 PolarHBondContact O-N 3.38Å; K496-T498 HydrophobicContact CD-CG2 4.24Å; K496-T498 HydrophobicContact CG-CG2 4.1Å; K496-T498 PolarHBondContact O-N 2.94Å | ||
| 497 | E | 89.5 | Confident | 92.8 | Very high | 94 Ų | 94 | 53.5 Ų | 53.5 | 44% | 0.439 | 25% | 0.252 | S | S | . | . | trans | -64.8 | 123.3 | 171 | -64 | -161.5 | 147.4 | 0 | 0 | 110.9 | L493 Y502 L521 | L493-E497 PolarHBondContact O-N 3.47Å; E497-Y502 HydrophobicContact CB-CE2 4.11Å; E497-Y502 HydrophobicContact CG-CE2 4.15Å; E497-Y502 PolarHBondContact OE1-OH 3.47Å; E497-L521 HydrophobicContact CB-CD2 3.94Å | ||
| 498 | T | 89.6 | Confident | 92.8 | Very high | 28 Ų | 28 | 49.8 Ų | 49.8 | 17% | 0.172 | 24% | 0.237 | C | C | . | . | trans | -133.9 | 147.1 | 172.5 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | K496 S500 L501 Y502 | K496-T498 HydrophobicContact CD-CG2 4.24Å; K496-T498 HydrophobicContact CG-CG2 4.1Å; K496-T498 PolarHBondContact O-N 2.94Å; T498-S500 VanDerWaalsContact C-N 3.26Å; T498-S500 PolarHBondContact O-N 3.45Å; T498-S500 PolarHBondContact OG1-OG 3.42Å; T498-L501 PolarHBondContact O-N 3.41Å; T498-L501 WeakPolarHBondContact OG1-CB 3.32Å; T498-L501 WeakPolarHBondContact OG1-CD1 3.39Å; T498-L501 WeakPolarHBondContact OG1-CG 3.48Å; T498-L501 PolarHBondContact OG1-N 3.48Å; T498-Y502 WeakPolarHBondContact O-CD2 3.13Å; T498-Y502 PolarHBondContact O-N 3.38Å | ||
| 499 | P | 91.7 | Very high | 92.8 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 23% | 0.234 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -38.1 | 177.1 | -26.8 | 35.8 | 0 | 0 | 0 | 112.9 | Y502 C503 A518 L521 | P499-Y502 PolarHBondContact O-N 3.29Å; P499-C503 PolarHBondContact O-N 2.77Å; P499-C503 PolarHBondContact O-SG 3.46Å; P499-A518 HydrophobicContact CB-CB 4.25Å; P499-A518 WeakPolarHBondContact O-CB 3.35Å; P499-L521 HydrophobicContact CG-CB 4.45Å; P499-L521 HydrophobicContact CG-CD2 4.15Å; P499-L521 HydrophobicContact CG-CG 4.24Å |
| 500 | S | 90.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | -180 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | T498 C503 L504 | T498-S500 VanDerWaalsContact C-N 3.26Å; T498-S500 PolarHBondContact O-N 3.45Å; T498-S500 PolarHBondContact OG1-OG 3.42Å; S500-C503 WeakPolarHBondContact O-CB 3.45Å; S500-C503 PolarHBondContact O-N 2.64Å; S500-L504 WeakPolarHBondContact O-CG 3.38Å; S500-L504 PolarHBondContact O-N 3.17Å |
| 501 | L | 93.4 | Very high | 92.6 | Very high | 9 Ų | 9 | 51.2 Ų | 51.2 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.2 | -74.2 | 174.3 | 0 | 0 | 0 | 112.2 | W469 L489 E492 L493 T498 C503 L504 L505 | W469-L501 HydrophobicContact CB-CD2 4.13Å; W469-L501 HydrophobicContact CD2-CD2 4.37Å; W469-L501 HydrophobicContact CG-CD2 3.74Å; L489-L501 HydrophobicContact CD2-CD2 3.89Å; E492-L501 HydrophobicContact CB-CD1 3.92Å; E492-L501 HydrophobicContact CB-CD2 4.31Å; L493-L501 HydrophobicContact CD2-CB 3.57Å; L493-L501 HydrophobicContact CD2-CD1 4.27Å; L493-L501 HydrophobicContact CG-CB 3.99Å; L493-L501 HydrophobicContact CG-CD1 4.46Å; T498-L501 PolarHBondContact O-N 3.41Å; T498-L501 WeakPolarHBondContact OG1-CB 3.32Å; T498-L501 WeakPolarHBondContact OG1-CD1 3.39Å; T498-L501 WeakPolarHBondContact OG1-CG 3.48Å; T498-L501 PolarHBondContact OG1-N 3.48Å; L501-C503 VanDerWaalsContact C-N 3.31Å; L501-C503 PolarHBondContact O-N 2.75Å; L501-L504 PolarHBondContact O-N 2.98Å; L501-L505 WeakPolarHBondContact O-CB 3.35Å; L501-L505 PolarHBondContact O-N 3.27Å |
| 502 | Y | 95.9 | Very high | 92.7 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 14% | 0.137 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 174 | -85.4 | -65.6 | 0 | 0 | 0 | 112.1 | L493 E497 T498 P499 L505 G506 C514 K517 L521 | L493-Y502 HydrophobicContact CD1-CD1 4.05Å; L493-Y502 HydrophobicContact CD1-CE1 4.01Å; L493-Y502 HydrophobicContact CD2-CD1 4.22Å; L493-Y502 HydrophobicContact CD2-CD2 3.67Å; L493-Y502 HydrophobicContact CD2-CE1 4.22Å; L493-Y502 HydrophobicContact CD2-CE2 3.68Å; L493-Y502 HydrophobicContact CD2-CG 3.95Å; E497-Y502 HydrophobicContact CB-CE2 4.11Å; E497-Y502 HydrophobicContact CG-CE2 4.15Å; E497-Y502 PolarHBondContact OE1-OH 3.47Å; T498-Y502 WeakPolarHBondContact O-CD2 3.13Å; T498-Y502 PolarHBondContact O-N 3.38Å; P499-Y502 PolarHBondContact O-N 3.29Å; Y502-L505 PolarHBondContact O-N 2.96Å; Y502-G506 PolarHBondContact O-N 3.21Å; Y502-C514 WeakPolarHBondContact O-CB 3.46Å; Y502-K517 HydrophobicContact CD1-CB 4.31Å; Y502-K517 HydrophobicContact CD1-CG 4.07Å; Y502-K517 HydrophobicContact CD2-CG 4.09Å; Y502-K517 HydrophobicContact CE1-CB 4.41Å; Y502-K517 HydrophobicContact CE1-CG 3.78Å; Y502-K517 HydrophobicContact CE2-CG 3.8Å; Y502-K517 HydrophobicContact CG-CG 4.22Å; Y502-L521 HydrophobicContact CD2-CD2 4.12Å; Y502-L521 HydrophobicContact CE2-CD2 4.23Å |
| 503 | C | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63 | -48 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | P499 S500 L501 L505 G506 D507 Y515 A529 | P499-C503 PolarHBondContact O-N 2.77Å; P499-C503 PolarHBondContact O-SG 3.46Å; S500-C503 WeakPolarHBondContact O-CB 3.45Å; S500-C503 PolarHBondContact O-N 2.64Å; L501-C503 VanDerWaalsContact C-N 3.31Å; L501-C503 PolarHBondContact O-N 2.75Å; C503-L505 VanDerWaalsContact C-N 3.31Å; C503-L505 PolarHBondContact O-N 3.16Å; C503-G506 CarbonylContact O-C 3.45Å; C503-G506 WeakPolarHBondContact O-CA 3.49Å; C503-G506 PolarHBondContact O-N 3.23Å; C503-G506 VanDerWaalsContact O-N 3.13Å; C503-D507 PolarHBondContact O-N 3.33Å; C503-Y515 HydrophobicContact CB-CD1 4.33Å; C503-Y515 HydrophobicContact CB-CE1 4.4Å; C503-Y515 VanDerWaalsContact O-CE1 3.28Å; C503-Y515 WeakPolarHBondContact O-CE1 3.4Å; C503-A529 WeakPolarHBondContact SG-CA 3.39Å |
| 504 | L | 93.9 | Very high | 92.9 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177.7 | -69.5 | 173.3 | 0 | 0 | 0 | 112.2 | W469 E470 L489 S500 L501 G506 D507 V508 | W469-L504 HydrophobicContact CB-CD1 3.53Å; E470-L504 HydrophobicContact CB-CD1 4.47Å; E470-L504 HydrophobicContact CB-CD2 3.83Å; E470-L504 HydrophobicContact CG-CD2 3.96Å; L489-L504 HydrophobicContact CD1-CB 4.13Å; L489-L504 HydrophobicContact CD2-CB 4.07Å; L489-L504 HydrophobicContact CD2-CD1 4.38Å; S500-L504 WeakPolarHBondContact O-CG 3.38Å; S500-L504 PolarHBondContact O-N 3.17Å; L501-L504 PolarHBondContact O-N 2.98Å; L504-G506 VanDerWaalsContact C-N 3.32Å; L504-G506 PolarHBondContact O-N 3.43Å; L504-D507 WeakPolarHBondContact O-CB 3.25Å; L504-D507 PolarHBondContact O-N 3.35Å; L504-V508 WeakPolarHBondContact O-CG2 3.46Å; L504-V508 PolarHBondContact O-N 2.86Å |
| 505 | L | 95.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.2 | -176.6 | 64.5 | 0 | 0 | 0 | 111.2 | E486 L489 R490 L493 L501 Y502 C503 D507 V508 L509 | E486-L505 HydrophobicContact CG-CD1 3.97Å; L489-L505 HydrophobicContact CB-CD1 4.2Å; L489-L505 HydrophobicContact CD1-CB 4.33Å; L489-L505 HydrophobicContact CD1-CD1 4.38Å; R490-L505 HydrophobicContact CG-CD1 4.4Å; L493-L505 HydrophobicContact CD1-CB 4.45Å; L493-L505 HydrophobicContact CD1-CD2 3.65Å; L501-L505 WeakPolarHBondContact O-CB 3.35Å; L501-L505 PolarHBondContact O-N 3.27Å; Y502-L505 PolarHBondContact O-N 2.96Å; C503-L505 VanDerWaalsContact C-N 3.31Å; C503-L505 PolarHBondContact O-N 3.16Å; L505-D507 VanDerWaalsContact C-N 3.33Å; L505-V508 PolarHBondContact O-N 3.19Å; L505-L509 HydrophobicContact CD1-CD1 3.81Å; L505-L509 HydrophobicContact CD1-CG 4.08Å; L505-L509 HydrophobicContact CD2-CD1 4.39Å; L505-L509 HydrophobicContact CG-CD1 3.8Å; L505-L509 HydrophobicContact CG-CG 4.36Å; L505-L509 WeakPolarHBondContact O-CB 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.34Å; L505-L509 PolarHBondContact O-N 2.99Å |
| 506 | G | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y502 C503 L504 V508 L509 G510 D511 Y515 | Y502-G506 PolarHBondContact O-N 3.21Å; C503-G506 CarbonylContact O-C 3.45Å; C503-G506 WeakPolarHBondContact O-CA 3.49Å; C503-G506 PolarHBondContact O-N 3.23Å; C503-G506 VanDerWaalsContact O-N 3.13Å; L504-G506 VanDerWaalsContact C-N 3.32Å; L504-G506 PolarHBondContact O-N 3.43Å; G506-V508 PolarHBondContact O-N 3.25Å; G506-L509 PolarHBondContact O-N 3.36Å; G506-G510 VanDerWaalsContact O-CA 3.29Å; G506-G510 WeakPolarHBondContact O-CA 3.38Å; G506-G510 PolarHBondContact O-N 3.36Å; G506-D511 PolarHBondContact O-N 3.04Å; G506-Y515 PolarHBondContact O-OH 3.36Å |
| 507 | D | 93.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 36.8 Ų | 36.8 | 35% | 0.348 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64 | -39.9 | 178.5 | -62.1 | -25.7 | 0 | 0 | 0 | 111.4 | C503 L504 L505 Y515 | C503-D507 PolarHBondContact O-N 3.33Å; L504-D507 WeakPolarHBondContact O-CB 3.25Å; L504-D507 PolarHBondContact O-N 3.35Å; L505-D507 VanDerWaalsContact C-N 3.33Å; D507-Y515 WeakPolarHBondContact CA-OH 3.32Å; D507-Y515 PolarHBondContact N-OH 2.94Å; D507-Y515 WeakPolarHBondContact OD1-CE1 3.21Å; D507-Y515 PolarHBondContact OD1-OH 3.39Å |
| 508 | V | 93.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 19% | 0.188 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.6 | -44.9 | 177.2 | 173 | 0 | 0 | 0 | 0 | 112.1 | V473 E486 L489 L504 L505 G506 | V473-V508 HydrophobicContact CB-CG2 4.48Å; V473-V508 HydrophobicContact CG1-CG2 3.46Å; V473-V508 VanDerWaalsContact CG1-CG2 3.46Å; V473-V508 HydrophobicContact CG2-CG2 4.13Å; E486-V508 HydrophobicContact CB-CG1 4.37Å; L489-V508 HydrophobicContact CD1-CG2 3.94Å; L504-V508 WeakPolarHBondContact O-CG2 3.46Å; L504-V508 PolarHBondContact O-N 2.86Å; L505-V508 PolarHBondContact O-N 3.19Å; G506-V508 PolarHBondContact O-N 3.25Å |
| 509 | L | 93.4 | Very high | 94.5 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -80.5 | -24.6 | -176.3 | -68.3 | 179.2 | 0 | 0 | 0 | 113.3 | E486 L505 G506 D511 | E486-L509 HydrophobicContact CG-CD2 4.03Å; L505-L509 HydrophobicContact CD1-CD1 3.81Å; L505-L509 HydrophobicContact CD1-CG 4.08Å; L505-L509 HydrophobicContact CD2-CD1 4.39Å; L505-L509 HydrophobicContact CG-CD1 3.8Å; L505-L509 HydrophobicContact CG-CG 4.36Å; L505-L509 WeakPolarHBondContact O-CB 3.29Å; L505-L509 WeakPolarHBondContact O-CG 3.34Å; L505-L509 PolarHBondContact O-N 2.99Å; G506-L509 PolarHBondContact O-N 3.36Å; L509-D511 VanDerWaalsContact C-N 3.31Å; L509-D511 HydrophobicContact CB-CB 4.05Å |
| 510 | G | 93.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 36 Ų | 36 | 35% | 0.351 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 35.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | G506 L536 | G506-G510 VanDerWaalsContact O-CA 3.29Å; G506-G510 WeakPolarHBondContact O-CA 3.38Å; G506-G510 PolarHBondContact O-N 3.36Å; G510-L536 VanDerWaalsContact C-CD2 3.47Å; G510-L536 WeakPolarHBondContact O-CD2 3.44Å |
| 511 | D | 93.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 35% | 0.348 | 20% | 0.201 | S | C | . | . | trans | -110.3 | 123.2 | -177.5 | -176.6 | 8.4 | 0 | 0 | 0 | 112 | G506 L509 S513 | G506-D511 PolarHBondContact O-N 3.04Å; L509-D511 VanDerWaalsContact C-N 3.31Å; L509-D511 HydrophobicContact CB-CB 4.05Å; D511-S513 VanDerWaalsContact C-N 3.26Å; D511-S513 VanDerWaalsContact CG-OG 3.25Å; D511-S513 PolarHBondContact O-N 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.43Å; D511-S513 PolarHBondContact OD1-N 3.33Å; D511-S513 PolarHBondContact OD1-OG 3.09Å; D511-S513 PolarHBondContact OD2-OG 3.16Å | ||
| 512 | H | 94.4 | Very high | 94.6 | Very high | 41 Ų | 41 | 38 Ų | 38 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -28.1 | 177.3 | -63.2 | -80.1 | 0 | 0 | 0 | 113.4 | C514 Y515 D516 L536 H537 | H512-C514 VanDerWaalsContact C-N 3.27Å; H512-C514 PolarHBondContact O-N 2.82Å; H512-Y515 PolarHBondContact O-N 3.4Å; H512-D516 PolarHBondContact O-N 3.01Å; H512-L536 VanDerWaalsContact CE1-CD2 3.46Å; H512-L536 WeakPolarHBondContact CE1-CD2 3.45Å; H512-H537 AromaticContact CE1-CD2 3.88Å; H512-H537 AromaticContact CE1-CE1 3.2Å; H512-H537 PolarHBondContact CE1-CE1 3.37Å; H512-H537 AromaticContact CE1-CG 3.72Å; H512-H537 AromaticContact CE1-ND1 3.29Å; H512-H537 PolarHBondContact CE1-ND1 3.42Å; H512-H537 VanDerWaalsContact CE1-ND1 3.29Å; H512-H537 AromaticContact CE1-NE2 3.57Å; H512-H537 AromaticContact ND1-CD2 3.99Å; H512-H537 AromaticContact ND1-CE1 3.47Å; H512-H537 PolarHBondContact ND1-CE1 3.13Å; H512-H537 AromaticContact ND1-ND1 3.97Å; H512-H537 AromaticContact ND1-NE2 3.45Å; H512-H537 PolarHBondContact ND1-NE2 3.48Å; H512-H537 AromaticContact NE2-CE1 3.85Å; H512-H537 AromaticContact NE2-ND1 3.94Å |
| 513 | S | 95.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 46 Ų | 46 | 46% | 0.462 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -33.9 | -176.1 | 84.8 | 0 | 0 | 0 | 0 | 112.4 | D511 Y515 D516 K517 | D511-S513 VanDerWaalsContact C-N 3.26Å; D511-S513 VanDerWaalsContact CG-OG 3.25Å; D511-S513 PolarHBondContact O-N 3.28Å; D511-S513 WeakPolarHBondContact OD1-CB 3.43Å; D511-S513 PolarHBondContact OD1-N 3.33Å; D511-S513 PolarHBondContact OD1-OG 3.09Å; D511-S513 PolarHBondContact OD2-OG 3.16Å; S513-Y515 VanDerWaalsContact C-N 3.34Å; S513-Y515 PolarHBondContact O-N 3.37Å; S513-D516 PolarHBondContact O-N 3.46Å; S513-K517 PolarHBondContact O-N 2.83Å |
| 514 | C | 96.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.068 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 177.3 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Y502 H512 K517 A518 | Y502-C514 WeakPolarHBondContact O-CB 3.46Å; H512-C514 VanDerWaalsContact C-N 3.27Å; H512-C514 PolarHBondContact O-N 2.82Å; C514-K517 PolarHBondContact O-N 2.94Å; C514-A518 PolarHBondContact O-N 3.39Å |
| 515 | Y | 96.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 60.7 Ų | 60.7 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70 | -34.8 | 176.9 | -52.3 | -58.2 | 0 | 0 | 0 | 112.5 | C503 G506 D507 H512 S513 K517 A518 W519 K533 L536 | C503-Y515 HydrophobicContact CB-CD1 4.33Å; C503-Y515 HydrophobicContact CB-CE1 4.4Å; C503-Y515 VanDerWaalsContact O-CE1 3.28Å; C503-Y515 WeakPolarHBondContact O-CE1 3.4Å; G506-Y515 PolarHBondContact O-OH 3.36Å; D507-Y515 WeakPolarHBondContact CA-OH 3.32Å; D507-Y515 PolarHBondContact N-OH 2.94Å; D507-Y515 WeakPolarHBondContact OD1-CE1 3.21Å; D507-Y515 PolarHBondContact OD1-OH 3.39Å; H512-Y515 PolarHBondContact O-N 3.4Å; S513-Y515 VanDerWaalsContact C-N 3.34Å; S513-Y515 PolarHBondContact O-N 3.37Å; Y515-K517 VanDerWaalsContact C-N 3.34Å; Y515-A518 PolarHBondContact O-N 2.61Å; Y515-W519 WeakPolarHBondContact O-CB 3.26Å; Y515-W519 PolarHBondContact O-N 3.17Å; Y515-K533 VanDerWaalsContact CD2-CA 3.5Å; Y515-K533 HydrophobicContact CD2-CB 3.66Å; Y515-K533 HydrophobicContact CD2-CG 3.9Å; Y515-K533 HydrophobicContact CE2-CB 4.43Å; Y515-K533 HydrophobicContact CG-CB 3.82Å; Y515-K533 HydrophobicContact CG-CG 4.38Å; Y515-L536 HydrophobicContact CE2-CB 4.04Å; Y515-L536 HydrophobicContact CE2-CD2 3.7Å |
| 516 | D | 96.2 | Very high | 94.1 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.4 | -40.3 | 174.6 | -70.9 | -39 | 0 | 0 | 0 | 111 | H512 S513 W519 E520 K533 | H512-D516 PolarHBondContact O-N 3.01Å; S513-D516 PolarHBondContact O-N 3.46Å; D516-W519 WeakPolarHBondContact O-CB 3.4Å; D516-W519 PolarHBondContact O-N 3.3Å; D516-E520 WeakPolarHBondContact O-CG 3.38Å; D516-E520 PolarHBondContact O-N 2.92Å; D516-K533 IonicContact OD1-NZ 3.62Å; D516-K533 PolarHBondContact OD1-NZ 3.2Å; D516-K533 IonicContact OD2-NZ 3.68Å; D516-K533 PolarHBondContact OD2-NZ 3.05Å |
| 517 | K | 96 | Very high | 94 | Very high | 85 Ų | 85 | 61.1 Ų | 61.1 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 172.6 | -173.9 | 61.9 | 177.7 | -178.2 | 0 | 112.3 | Y502 S513 C514 Y515 W519 E520 L521 | Y502-K517 HydrophobicContact CD1-CB 4.31Å; Y502-K517 HydrophobicContact CD1-CG 4.07Å; Y502-K517 HydrophobicContact CD2-CG 4.09Å; Y502-K517 HydrophobicContact CE1-CB 4.41Å; Y502-K517 HydrophobicContact CE1-CG 3.78Å; Y502-K517 HydrophobicContact CE2-CG 3.8Å; Y502-K517 HydrophobicContact CG-CG 4.22Å; S513-K517 PolarHBondContact O-N 2.83Å; C514-K517 PolarHBondContact O-N 2.94Å; Y515-K517 VanDerWaalsContact C-N 3.34Å; K517-W519 VanDerWaalsContact C-N 3.28Å; K517-W519 PolarHBondContact O-N 3.15Å; K517-E520 PolarHBondContact O-N 2.79Å; K517-L521 VanDerWaalsContact O-CB 3.24Å; K517-L521 WeakPolarHBondContact O-CB 3.35Å; K517-L521 PolarHBondContact O-N 2.86Å |
| 518 | A | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P499 C514 Y515 S522 A529 | P499-A518 HydrophobicContact CB-CB 4.25Å; P499-A518 WeakPolarHBondContact O-CB 3.35Å; C514-A518 PolarHBondContact O-N 3.39Å; Y515-A518 PolarHBondContact O-N 2.61Å; A518-S522 WeakPolarHBondContact O-CB 3.4Å; A518-S522 PolarHBondContact O-N 3.34Å; A518-S522 PolarHBondContact O-OG 3.41Å; A518-A529 HydrophobicContact CB-CB 3.93Å |
| 519 | W | 95.4 | Very high | 94.1 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.7 | -47.6 | 179.8 | -176.2 | -130.9 | 0 | 0 | 0 | 112 | Y515 D516 K517 S522 R523 Y524 S526 A529 Q530 I556 | Y515-W519 WeakPolarHBondContact O-CB 3.26Å; Y515-W519 PolarHBondContact O-N 3.17Å; D516-W519 WeakPolarHBondContact O-CB 3.4Å; D516-W519 PolarHBondContact O-N 3.3Å; K517-W519 VanDerWaalsContact C-N 3.28Å; K517-W519 PolarHBondContact O-N 3.15Å; W519-S522 PolarHBondContact O-N 3.28Å; W519-S522 PolarHBondContact O-OG 3.35Å; W519-R523 PolarHBondContact O-N 2.95Å; W519-Y524 AromaticContact CD1-CD1 3.64Å; W519-Y524 AromaticContact CD1-CE1 3.86Å; W519-Y524 HydrophobicContact CD2-CD1 4.15Å; W519-Y524 AromaticContact CE2-CD1 3.51Å; W519-Y524 HydrophobicContact CG-CD1 4.2Å; W519-Y524 VanDerWaalsContact CH2-CA 3.45Å; W519-Y524 WeakPolarHBondContact CH2-O 3.39Å; W519-Y524 AromaticContact CZ2-CD1 3.94Å; W519-Y524 HydrophobicContact CZ2-CD1 3.94Å; W519-Y524 HydrophobicContact CZ2-CG 4.28Å; W519-Y524 WeakPolarHBondContact CZ3-O 3.34Å; W519-Y524 AromaticContact NE1-CD1 3.25Å; W519-Y524 VanDerWaalsContact NE1-CD1 3.25Å; W519-Y524 AromaticContact NE1-CE1 3.82Å; W519-Y524 PolarHBondContact O-N 3.19Å; W519-S526 VanDerWaalsContact CZ3-O 3.32Å; W519-S526 WeakPolarHBondContact CZ3-O 3.27Å; W519-A529 HydrophobicContact CB-CB 4.37Å; W519-Q530 HydrophobicContact CD2-CG 3.99Å; W519-Q530 VanDerWaalsContact CD2-NE2 3.27Å; W519-Q530 HydrophobicContact CE3-CG 3.8Å; W519-Q530 HydrophobicContact CH2-CG 4.09Å; W519-Q530 HydrophobicContact CZ2-CG 4.21Å; W519-Q530 HydrophobicContact CZ3-CG 3.84Å; W519-I556 HydrophobicContact CH2-CD1 3.39Å; W519-I556 HydrophobicContact CH2-CG1 4.5Å; W519-I556 HydrophobicContact CZ3-CD1 3.41Å; W519-I556 VanDerWaalsContact CZ3-CD1 3.41Å |
| 520 | E | 95.4 | Very high | 94.3 | Very high | 109 Ų | 109 | 54.4 Ų | 54.4 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 174.6 | -71.8 | 178.6 | 175.6 | 0 | 0 | 112.4 | D516 K517 S522 R523 | D516-E520 WeakPolarHBondContact O-CG 3.38Å; D516-E520 PolarHBondContact O-N 2.92Å; K517-E520 PolarHBondContact O-N 2.79Å; E520-S522 VanDerWaalsContact C-N 3.25Å; E520-S522 PolarHBondContact O-N 3.15Å; E520-R523 WeakPolarHBondContact O-CA 3.47Å; E520-R523 PolarHBondContact O-N 3.38Å |
| 521 | L | 92.6 | Very high | 94.4 | Very high | 64 Ų | 64 | 55.2 Ų | 55.2 | 34% | 0.335 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -37.5 | 179.1 | -176 | 65.8 | 0 | 0 | 0 | 111.5 | E497 P499 Y502 K517 R523 | E497-L521 HydrophobicContact CB-CD2 3.94Å; P499-L521 HydrophobicContact CG-CB 4.45Å; P499-L521 HydrophobicContact CG-CD2 4.15Å; P499-L521 HydrophobicContact CG-CG 4.24Å; Y502-L521 HydrophobicContact CD2-CD2 4.12Å; Y502-L521 HydrophobicContact CE2-CD2 4.23Å; K517-L521 VanDerWaalsContact O-CB 3.24Å; K517-L521 WeakPolarHBondContact O-CB 3.35Å; K517-L521 PolarHBondContact O-N 2.86Å; L521-R523 PolarHBondContact O-N 2.99Å |
| 522 | S | 90.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 52.4 Ų | 52.4 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -0.6 | 174.7 | 78 | 0 | 0 | 0 | 0 | 114.2 | A518 W519 E520 Y524 R525 S526 | A518-S522 WeakPolarHBondContact O-CB 3.4Å; A518-S522 PolarHBondContact O-N 3.34Å; A518-S522 PolarHBondContact O-OG 3.41Å; W519-S522 PolarHBondContact O-N 3.28Å; W519-S522 PolarHBondContact O-OG 3.35Å; E520-S522 VanDerWaalsContact C-N 3.25Å; E520-S522 PolarHBondContact O-N 3.15Å; S522-Y524 VanDerWaalsContact C-N 3.28Å; S522-Y524 PolarHBondContact O-N 3.25Å; S522-R525 WeakPolarHBondContact O-CB 3.46Å; S522-R525 PolarHBondContact O-N 2.99Å; S522-R525 PolarHBondContact OG-N 3.2Å; S522-S526 WeakPolarHBondContact OG-CB 3.3Å; S522-S526 PolarHBondContact OG-N 2.99Å |
| 523 | R | 91.9 | Very high | 94.6 | Very high | 202 Ų | 202 | 51.7 Ų | 51.7 | 76% | 0.762 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 43.7 | -171.1 | -54.4 | -179.7 | -178.9 | -179.3 | 0.3 | 112.3 | W519 E520 L521 R525 | W519-R523 PolarHBondContact O-N 2.95Å; E520-R523 WeakPolarHBondContact O-CA 3.47Å; E520-R523 PolarHBondContact O-N 3.38Å; L521-R523 PolarHBondContact O-N 2.99Å; R523-R525 PolarHBondContact O-N 2.82Å |
| 524 | Y | 93.3 | Very high | 94.7 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 56% | 0.557 | 21% | 0.208 | S | C | * | . | S | Bend | trans | 64.1 | 37.3 | 178.3 | -46.7 | -84.2 | 0 | 0 | 0 | 113.1 | W519 S522 | W519-Y524 AromaticContact CD1-CD1 3.64Å; W519-Y524 AromaticContact CD1-CE1 3.86Å; W519-Y524 HydrophobicContact CD2-CD1 4.15Å; W519-Y524 AromaticContact CE2-CD1 3.51Å; W519-Y524 HydrophobicContact CG-CD1 4.2Å; W519-Y524 VanDerWaalsContact CH2-CA 3.45Å; W519-Y524 WeakPolarHBondContact CH2-O 3.39Å; W519-Y524 AromaticContact CZ2-CD1 3.94Å; W519-Y524 HydrophobicContact CZ2-CD1 3.94Å; W519-Y524 HydrophobicContact CZ2-CG 4.28Å; W519-Y524 WeakPolarHBondContact CZ3-O 3.34Å; W519-Y524 AromaticContact NE1-CD1 3.25Å; W519-Y524 VanDerWaalsContact NE1-CD1 3.25Å; W519-Y524 AromaticContact NE1-CE1 3.82Å; W519-Y524 PolarHBondContact O-N 3.19Å; S522-Y524 VanDerWaalsContact C-N 3.28Å; S522-Y524 PolarHBondContact O-N 3.25Å |
| 525 | R | 91.1 | Very high | 94.7 | Very high | 177 Ų | 177 | 51.9 Ų | 51.9 | 67% | 0.668 | 23% | 0.225 | S | C | * | . | trans | -123.8 | -10.9 | -178.9 | -61.7 | -177.2 | -178.8 | -175.8 | -2.5 | 114.8 | G148 S522 R523 A527 I556 | G148-R525 WeakPolarHBondContact CA-O 3.3Å; S522-R525 WeakPolarHBondContact O-CB 3.46Å; S522-R525 PolarHBondContact O-N 2.99Å; S522-R525 PolarHBondContact OG-N 3.2Å; R523-R525 PolarHBondContact O-N 2.82Å; R525-A527 PolarHBondContact O-N 3.08Å; R525-I556 WeakPolarHBondContact O-CG2 3.22Å | ||
| 526 | S | 92.6 | Very high | 94.7 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -77.2 | 110.3 | 179 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | W519 S522 R528 A529 | W519-S526 VanDerWaalsContact CZ3-O 3.32Å; W519-S526 WeakPolarHBondContact CZ3-O 3.27Å; S522-S526 WeakPolarHBondContact OG-CB 3.3Å; S522-S526 PolarHBondContact OG-N 2.99Å; S526-R528 VanDerWaalsContact C-N 3.31Å; S526-A529 PolarHBondContact OG-N 3.04Å; S526-A529 VanDerWaalsContact OG-N 3.16Å | ||
| 527 | A | 93.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.9 | -38.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R525 Q530 R531 S553 I556 N557 | R525-A527 PolarHBondContact O-N 3.08Å; A527-Q530 PolarHBondContact O-N 3.14Å; A527-R531 WeakPolarHBondContact O-CB 3.48Å; A527-R531 PolarHBondContact O-N 3.46Å; A527-S553 PolarHBondContact O-OG 3.3Å; A527-I556 HydrophobicContact CB-CB 4.17Å; A527-I556 HydrophobicContact CB-CG2 4Å; A527-N557 HydrophobicContact CB-CB 4.11Å |
| 528 | R | 93.8 | Very high | 94.8 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -45.5 | 176.2 | -175.7 | 175.8 | -179.8 | 152.2 | 5.9 | 112.6 | E197 E470 S526 Q530 R531 S532 | E197-R528 IonicContact OE1-NH1 2.74Å; E197-R528 IonicContact OE2-CZ 2.98Å; E197-R528 IonicContact OE2-NH1 3.8Å; E197-R528 PolarHBondContact OE2-NH1 3.33Å; E470-R528 IonicContact OE2-CZ 2.73Å; E470-R528 IonicContact OE2-NH1 3.95Å; E470-R528 IonicContact OE2-NH2 3.95Å; E470-R528 PolarHBondContact OE2-NH2 3.25Å; S526-R528 VanDerWaalsContact C-N 3.31Å; R528-Q530 PolarHBondContact O-N 3.19Å; R528-R531 PolarHBondContact O-N 3.4Å; R528-S532 PolarHBondContact O-N 3.01Å; R528-S532 PolarHBondContact O-OG 3.41Å |
| 529 | A | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | C503 A518 W519 S526 K533 | C503-A529 WeakPolarHBondContact SG-CA 3.39Å; A518-A529 HydrophobicContact CB-CB 3.93Å; W519-A529 HydrophobicContact CB-CB 4.37Å; S526-A529 PolarHBondContact OG-N 3.04Å; S526-A529 VanDerWaalsContact OG-N 3.16Å; A529-K533 WeakPolarHBondContact O-CB 3.49Å; A529-K533 PolarHBondContact O-N 2.97Å |
| 530 | Q | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -70.3 | -35.5 | 177.5 | -66.4 | -62.5 | -61.2 | 0 | 0 | 112 | W519 A527 R528 A534 C549 R552 | W519-Q530 HydrophobicContact CD2-CG 3.99Å; W519-Q530 VanDerWaalsContact CD2-NE2 3.27Å; W519-Q530 HydrophobicContact CE3-CG 3.8Å; W519-Q530 HydrophobicContact CH2-CG 4.09Å; W519-Q530 HydrophobicContact CZ2-CG 4.21Å; W519-Q530 HydrophobicContact CZ3-CG 3.84Å; A527-Q530 PolarHBondContact O-N 3.14Å; R528-Q530 PolarHBondContact O-N 3.19Å; Q530-A534 VanDerWaalsContact O-CB 3.29Å; Q530-A534 WeakPolarHBondContact O-CB 3.39Å; Q530-A534 PolarHBondContact O-N 3.05Å; Q530-C549 WeakPolarHBondContact CB-O 3.22Å; Q530-C549 WeakPolarHBondContact O-CB 3.29Å; Q530-R552 HydrophobicContact CB-CB 4.33Å; Q530-R552 HydrophobicContact CG-CB 4Å; Q530-R552 VanDerWaalsContact OE1-CD 3.23Å |
| 531 | R | 95.8 | Very high | 94.8 | Very high | 51 Ų | 51 | 62.8 Ų | 62.8 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 174.5 | 177 | 176.1 | 77 | -175.8 | 10.3 | 112.1 | E198 A527 R528 A534 L535 F550 V563 | E198-R531 IonicContact OE1-CZ 2.82Å; E198-R531 IonicContact OE1-NH1 3.38Å; E198-R531 PolarHBondContact OE1-NH1 3.35Å; E198-R531 IonicContact OE1-NH2 3.85Å; A527-R531 WeakPolarHBondContact O-CB 3.48Å; A527-R531 PolarHBondContact O-N 3.46Å; R528-R531 PolarHBondContact O-N 3.4Å; R531-A534 WeakPolarHBondContact O-CB 3.47Å; R531-A534 PolarHBondContact O-N 2.92Å; R531-L535 HydrophobicContact CG-CD1 4.18Å; R531-L535 WeakPolarHBondContact O-CG 3.4Å; R531-L535 PolarHBondContact O-N 3.17Å; R531-F550 HydrophobicContact CG-CE1 4.31Å; R531-V563 HydrophobicContact CB-CG2 4.41Å; R531-V563 HydrophobicContact CG-CG2 3.66Å |
| 532 | S | 95.6 | Very high | 95 | Very high | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 179.2 | -67.9 | 0 | 0 | 0 | 0 | 111.4 | R528 A534 L535 L536 | R528-S532 PolarHBondContact O-N 3.01Å; R528-S532 PolarHBondContact O-OG 3.41Å; S532-A534 VanDerWaalsContact C-N 3.31Å; S532-A534 PolarHBondContact O-N 2.91Å; S532-L535 PolarHBondContact O-N 3.32Å; S532-L536 PolarHBondContact O-N 3.43Å |
| 533 | K | 97.3 | Very high | 95.4 | Very high | 25 Ų | 25 | 65.1 Ų | 65.1 | 11% | 0.109 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 173.4 | -169.8 | 170.3 | 177.6 | 166.6 | 0 | 112.4 | Y515 D516 A529 L536 H537 | Y515-K533 VanDerWaalsContact CD2-CA 3.5Å; Y515-K533 HydrophobicContact CD2-CB 3.66Å; Y515-K533 HydrophobicContact CD2-CG 3.9Å; Y515-K533 HydrophobicContact CE2-CB 4.43Å; Y515-K533 HydrophobicContact CG-CB 3.82Å; Y515-K533 HydrophobicContact CG-CG 4.38Å; D516-K533 IonicContact OD1-NZ 3.62Å; D516-K533 PolarHBondContact OD1-NZ 3.2Å; D516-K533 IonicContact OD2-NZ 3.68Å; D516-K533 PolarHBondContact OD2-NZ 3.05Å; A529-K533 WeakPolarHBondContact O-CB 3.49Å; A529-K533 PolarHBondContact O-N 2.97Å; K533-L536 PolarHBondContact O-N 2.84Å; K533-H537 PolarHBondContact O-CD2 3.14Å; K533-H537 VanDerWaalsContact O-CD2 3.25Å; K533-H537 PolarHBondContact O-N 3.46Å |
| 534 | A | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.5 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q530 R531 S532 L536 H537 L538 C546 C549 F550 | Q530-A534 VanDerWaalsContact O-CB 3.29Å; Q530-A534 WeakPolarHBondContact O-CB 3.39Å; Q530-A534 PolarHBondContact O-N 3.05Å; R531-A534 WeakPolarHBondContact O-CB 3.47Å; R531-A534 PolarHBondContact O-N 2.92Å; S532-A534 VanDerWaalsContact C-N 3.31Å; S532-A534 PolarHBondContact O-N 2.91Å; A534-L536 VanDerWaalsContact C-N 3.29Å; A534-L536 PolarHBondContact O-N 3.19Å; A534-H537 PolarHBondContact O-N 2.98Å; A534-L538 WeakPolarHBondContact O-CB 3.25Å; A534-L538 PolarHBondContact O-N 3.07Å; A534-C546 PolarHBondContact O-SG 3.15Å; A534-C549 HydrophobicContact CB-CB 3.56Å; A534-F550 HydrophobicContact CB-CB 4.32Å; A534-F550 HydrophobicContact CB-CD1 3.17Å; A534-F550 HydrophobicContact CB-CD2 3.93Å; A534-F550 HydrophobicContact CB-CE1 3.28Å; A534-F550 HydrophobicContact CB-CE2 4.03Å; A534-F550 HydrophobicContact CB-CG 3.52Å; A534-F550 HydrophobicContact CB-CZ 3.71Å |
| 535 | L | 96.7 | Very high | 95.8 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 42% | 0.419 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 175.6 | -72.3 | 168.9 | 0 | 0 | 0 | 111.9 | R531 S532 L538 R539 F550 | R531-L535 HydrophobicContact CG-CD1 4.18Å; R531-L535 WeakPolarHBondContact O-CG 3.4Å; R531-L535 PolarHBondContact O-N 3.17Å; S532-L535 PolarHBondContact O-N 3.32Å; L535-L538 WeakPolarHBondContact O-CB 3.29Å; L535-L538 PolarHBondContact O-N 3.08Å; L535-R539 PolarHBondContact O-N 3.13Å; L535-F550 HydrophobicContact CD2-CE1 4.35Å; L535-F550 HydrophobicContact CD2-CZ 3.9Å; L535-F550 HydrophobicContact CG-CE1 4.18Å; L535-F550 HydrophobicContact CG-CZ 4.13Å |
| 536 | L | 96.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.5 | -47.4 | 173.3 | -176.5 | 61.2 | 0 | 0 | 0 | 111.7 | G510 H512 Y515 S532 K533 A534 L538 R539 N540 | G510-L536 VanDerWaalsContact C-CD2 3.47Å; G510-L536 WeakPolarHBondContact O-CD2 3.44Å; H512-L536 VanDerWaalsContact CE1-CD2 3.46Å; H512-L536 WeakPolarHBondContact CE1-CD2 3.45Å; Y515-L536 HydrophobicContact CE2-CB 4.04Å; Y515-L536 HydrophobicContact CE2-CD2 3.7Å; S532-L536 PolarHBondContact O-N 3.43Å; K533-L536 PolarHBondContact O-N 2.84Å; A534-L536 VanDerWaalsContact C-N 3.29Å; A534-L536 PolarHBondContact O-N 3.19Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 3.03Å; L536-R539 WeakPolarHBondContact O-CB 3.44Å; L536-R539 PolarHBondContact O-N 3.38Å; L536-R539 VanDerWaalsContact O-N 3.14Å; L536-N540 PolarHBondContact O-N 3.49Å |
| 537 | H | 97.4 | Very high | 96.4 | Very high | 17 Ų | 17 | 49 Ų | 49 | 8% | 0.079 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.6 | -40.4 | 173.3 | -76.2 | -56.6 | 0 | 0 | 0 | 111.9 | H512 K533 A534 R539 N540 K541 E542 E545 C546 | H512-H537 AromaticContact CE1-CD2 3.88Å; H512-H537 AromaticContact CE1-CE1 3.2Å; H512-H537 PolarHBondContact CE1-CE1 3.37Å; H512-H537 AromaticContact CE1-CG 3.72Å; H512-H537 AromaticContact CE1-ND1 3.29Å; H512-H537 PolarHBondContact CE1-ND1 3.42Å; H512-H537 VanDerWaalsContact CE1-ND1 3.29Å; H512-H537 AromaticContact CE1-NE2 3.57Å; H512-H537 AromaticContact ND1-CD2 3.99Å; H512-H537 AromaticContact ND1-CE1 3.47Å; H512-H537 PolarHBondContact ND1-CE1 3.13Å; H512-H537 AromaticContact ND1-ND1 3.97Å; H512-H537 AromaticContact ND1-NE2 3.45Å; H512-H537 PolarHBondContact ND1-NE2 3.48Å; H512-H537 AromaticContact NE2-CE1 3.85Å; H512-H537 AromaticContact NE2-ND1 3.94Å; K533-H537 PolarHBondContact O-CD2 3.14Å; K533-H537 VanDerWaalsContact O-CD2 3.25Å; K533-H537 PolarHBondContact O-N 3.46Å; A534-H537 PolarHBondContact O-N 2.98Å; H537-R539 PolarHBondContact O-N 3.24Å; H537-N540 CarbonylContact O-C 3.5Å; H537-N540 PolarHBondContact O-N 2.92Å; H537-K541 PolarHBondContact O-N 3.34Å; H537-E542 HydrophobicContact CB-CB 4.12Å; H537-E542 IonicContact CE1-OE2 2.69Å; H537-E542 IonicContact CG-OE2 3.73Å; H537-E542 IonicContact ND1-OE2 2.71Å; H537-E542 PolarHBondContact ND1-OE2 3.27Å; H537-E542 PolarHBondContact O-N 2.75Å; H537-E545 HydrophobicContact CB-CB 4.48Å; H537-C546 HydrophobicContact CB-CB 3.79Å |
| 538 | L | 96 | Very high | 96.6 | Very high | 49 Ų | 49 | 53 Ų | 53 | 26% | 0.257 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.1 | -43.2 | 176.1 | -174 | 64.7 | 0 | 0 | 0 | 111.7 | A534 L535 L536 N540 K541 F543 | A534-L538 WeakPolarHBondContact O-CB 3.25Å; A534-L538 PolarHBondContact O-N 3.07Å; L535-L538 WeakPolarHBondContact O-CB 3.29Å; L535-L538 PolarHBondContact O-N 3.08Å; L536-L538 VanDerWaalsContact C-N 3.27Å; L536-L538 PolarHBondContact O-N 3.03Å; L538-N540 VanDerWaalsContact C-N 3.3Å; L538-N540 PolarHBondContact O-N 3.41Å; L538-K541 PolarHBondContact O-N 3.14Å; L538-K541 VanDerWaalsContact O-N 3.1Å; L538-F543 HydrophobicContact CD1-CD1 4.03Å; L538-F543 HydrophobicContact CD1-CE1 3.88Å |
| 539 | R | 95.1 | Very high | 96.8 | Very high | 200 Ų | 200 | 52.3 Ų | 52.3 | 76% | 0.755 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -62.4 | -37.9 | 175.2 | -175.2 | -180 | 177.7 | -177.8 | -0.7 | 111.7 | L535 L536 H537 K541 | L535-R539 PolarHBondContact O-N 3.13Å; L536-R539 WeakPolarHBondContact O-CB 3.44Å; L536-R539 PolarHBondContact O-N 3.38Å; L536-R539 VanDerWaalsContact O-N 3.14Å; H537-R539 PolarHBondContact O-N 3.24Å; R539-K541 PolarHBondContact O-N 2.98Å |
| 540 | N | 95.6 | Very high | 97 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -77.9 | -5.8 | 175.9 | -65.5 | -10.9 | 0 | 0 | 0 | 113.5 | L536 H537 L538 E542 | L536-N540 PolarHBondContact O-N 3.49Å; H537-N540 CarbonylContact O-C 3.5Å; H537-N540 PolarHBondContact O-N 2.92Å; L538-N540 VanDerWaalsContact C-N 3.3Å; L538-N540 PolarHBondContact O-N 3.41Å; N540-E542 HydrophobicContact CB-CG 4.05Å; N540-E542 PolarHBondContact O-N 2.86Å |
| 541 | K | 95.8 | Very high | 97 | Very high | 159 Ų | 159 | 56.6 Ų | 56.6 | 69% | 0.691 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 25.6 | -174.5 | -52.5 | 179.5 | 179.9 | 178.9 | 0 | 114.1 | H537 L538 R539 F543 | H537-K541 PolarHBondContact O-N 3.34Å; L538-K541 PolarHBondContact O-N 3.14Å; L538-K541 VanDerWaalsContact O-N 3.1Å; R539-K541 PolarHBondContact O-N 2.98Å; K541-F543 VanDerWaalsContact C-N 3.31Å; K541-F543 HydrophobicContact CB-CE2 3.97Å; K541-F543 HydrophobicContact CB-CZ 3.99Å; K541-F543 HydrophobicContact CG-CZ 4.32Å; K541-F543 VanDerWaalsContact O-CD2 3.32Å; K541-F543 WeakPolarHBondContact O-CD2 3.46Å; K541-F543 PolarHBondContact O-N 2.74Å; K541-F543 VanDerWaalsContact O-N 3.15Å |
| 542 | E | 97.4 | Very high | 97.1 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 35% | 0.35 | 27% | 0.269 | S | S | . | . | trans | -86.2 | 73.6 | 173.8 | -67.1 | 164.1 | 168 | 0 | 0 | 108.5 | H537 N540 Q544 C546 | H537-E542 HydrophobicContact CB-CB 4.12Å; H537-E542 IonicContact CE1-OE2 2.69Å; H537-E542 IonicContact CG-OE2 3.73Å; H537-E542 IonicContact ND1-OE2 2.71Å; H537-E542 PolarHBondContact ND1-OE2 3.27Å; H537-E542 PolarHBondContact O-N 2.75Å; N540-E542 HydrophobicContact CB-CG 4.05Å; N540-E542 PolarHBondContact O-N 2.86Å; E542-Q544 VanDerWaalsContact C-N 3.34Å; E542-Q544 PolarHBondContact O-N 2.93Å; E542-C546 WeakPolarHBondContact O-CB 2.99Å; E542-C546 PolarHBondContact O-N 3.38Å | ||
| 543 | F | 97.7 | Very high | 97.1 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.5 | -29.9 | -167.1 | -61.2 | -67.8 | 0 | 0 | 0 | 113.8 | L538 K541 C546 V547 A573 L574 | L538-F543 HydrophobicContact CD1-CD1 4.03Å; L538-F543 HydrophobicContact CD1-CE1 3.88Å; K541-F543 VanDerWaalsContact C-N 3.31Å; K541-F543 HydrophobicContact CB-CE2 3.97Å; K541-F543 HydrophobicContact CB-CZ 3.99Å; K541-F543 HydrophobicContact CG-CZ 4.32Å; K541-F543 VanDerWaalsContact O-CD2 3.32Å; K541-F543 WeakPolarHBondContact O-CD2 3.46Å; K541-F543 PolarHBondContact O-N 2.74Å; K541-F543 VanDerWaalsContact O-N 3.15Å; F543-C546 WeakPolarHBondContact O-CB 3.27Å; F543-V547 WeakPolarHBondContact O-CG2 3.24Å; F543-V547 PolarHBondContact O-N 3.27Å; F543-A573 HydrophobicContact CD1-CB 3.69Å; F543-A573 HydrophobicContact CD2-CB 3.87Å; F543-A573 HydrophobicContact CE1-CB 3.65Å; F543-A573 HydrophobicContact CE2-CB 3.83Å; F543-A573 HydrophobicContact CG-CB 3.81Å; F543-A573 HydrophobicContact CZ-CB 3.72Å; F543-L574 HydrophobicContact CB-CD1 4.21Å; F543-L574 HydrophobicContact CB-CD2 3.61Å; F543-L574 HydrophobicContact CB-CG 3.66Å |
| 544 | Q | 97.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 58.6 Ų | 58.6 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.9 | -50.6 | -178.9 | -173.9 | 65.3 | 30.2 | 0 | 0 | 110.9 | E542 C546 V547 E548 | E542-Q544 VanDerWaalsContact C-N 3.34Å; E542-Q544 PolarHBondContact O-N 2.93Å; Q544-C546 VanDerWaalsContact C-N 3.31Å; Q544-C546 PolarHBondContact O-N 2.72Å; Q544-V547 PolarHBondContact O-N 3.49Å; Q544-E548 PolarHBondContact O-N 2.72Å; Q544-E548 VanDerWaalsContact O-N 3.13Å |
| 545 | E | 97.5 | Very high | 97 | Very high | 89 Ų | 89 | 67.5 Ų | 67.5 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -36.6 | 177.5 | -63.6 | 80.5 | 178.3 | 0 | 0 | 111.4 | H537 E548 C549 | H537-E545 HydrophobicContact CB-CB 4.48Å; E545-E548 PolarHBondContact O-N 3.19Å; E545-C549 WeakPolarHBondContact O-CB 3.46Å; E545-C549 PolarHBondContact O-N 2.71Å; E545-C549 PolarHBondContact O-SG 3.07Å |
| 546 | C | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.2 | -50.4 | 172.2 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | A534 H537 E542 F543 Q544 E548 C549 F550 | A534-C546 PolarHBondContact O-SG 3.15Å; H537-C546 HydrophobicContact CB-CB 3.79Å; E542-C546 WeakPolarHBondContact O-CB 2.99Å; E542-C546 PolarHBondContact O-N 3.38Å; F543-C546 WeakPolarHBondContact O-CB 3.27Å; Q544-C546 VanDerWaalsContact C-N 3.31Å; Q544-C546 PolarHBondContact O-N 2.72Å; C546-E548 PolarHBondContact O-N 2.94Å; C546-C549 PolarHBondContact O-N 3.27Å; C546-F550 WeakPolarHBondContact O-CB 3.4Å; C546-F550 PolarHBondContact O-N 3.38Å; C546-F550 WeakPolarHBondContact SG-CD2 3.4Å; C546-F550 WeakPolarHBondContact SG-CE2 3.41Å |
| 547 | V | 98.4 | Very high | 96.8 | Very high | 6 Ų | 6 | 65 Ų | 65 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 177.1 | 164.1 | 0 | 0 | 0 | 0 | 111 | F543 Q544 C549 F550 E551 L567 A570 Y571 L574 | F543-V547 WeakPolarHBondContact O-CG2 3.24Å; F543-V547 PolarHBondContact O-N 3.27Å; Q544-V547 PolarHBondContact O-N 3.49Å; V547-C549 VanDerWaalsContact C-N 3.33Å; V547-C549 PolarHBondContact O-N 3.42Å; V547-F550 PolarHBondContact O-N 3.31Å; V547-E551 HydrophobicContact CG1-CG 4.22Å; V547-E551 WeakPolarHBondContact O-CB 3.41Å; V547-E551 WeakPolarHBondContact O-CG 3.35Å; V547-E551 PolarHBondContact O-N 3.04Å; V547-L567 HydrophobicContact CB-CD1 4.24Å; V547-L567 HydrophobicContact CG1-CD1 4.08Å; V547-L567 HydrophobicContact CG2-CD1 4.03Å; V547-A570 HydrophobicContact CG2-CB 3.78Å; V547-Y571 HydrophobicContact CB-CE1 4.39Å; V547-Y571 HydrophobicContact CG1-CD1 4.07Å; V547-Y571 HydrophobicContact CG1-CE1 3.35Å; V547-Y571 HydrophobicContact CG2-CD1 3.91Å; V547-Y571 HydrophobicContact CG2-CE1 4.06Å; V547-Y571 HydrophobicContact CG2-CG 4.34Å; V547-L574 HydrophobicContact CB-CD1 4.45Å; V547-L574 HydrophobicContact CG2-CD1 3.78Å |
| 548 | E | 97.8 | Very high | 96.6 | Very high | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.1 | -42.9 | -179.8 | -70.8 | -176.5 | -167.6 | 0 | 0 | 112.6 | Q544 E545 C546 R552 | Q544-E548 PolarHBondContact O-N 2.72Å; Q544-E548 VanDerWaalsContact O-N 3.13Å; E545-E548 PolarHBondContact O-N 3.19Å; C546-E548 PolarHBondContact O-N 2.94Å; E548-R552 VanDerWaalsContact O-CG 3.29Å; E548-R552 WeakPolarHBondContact O-CG 3.28Å; E548-R552 PolarHBondContact O-N 2.66Å; E548-R552 VanDerWaalsContact O-N 3.14Å; E548-R552 IonicContact OE2-NH2 2.82Å |
| 549 | C | 97.9 | Very high | 96.4 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 178.8 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | Q530 A534 E545 C546 V547 R552 S553 | Q530-C549 WeakPolarHBondContact CB-O 3.22Å; Q530-C549 WeakPolarHBondContact O-CB 3.29Å; A534-C549 HydrophobicContact CB-CB 3.56Å; E545-C549 WeakPolarHBondContact O-CB 3.46Å; E545-C549 PolarHBondContact O-N 2.71Å; E545-C549 PolarHBondContact O-SG 3.07Å; C546-C549 PolarHBondContact O-N 3.27Å; V547-C549 VanDerWaalsContact C-N 3.33Å; V547-C549 PolarHBondContact O-N 3.42Å; C549-R552 PolarHBondContact O-N 3.18Å; C549-S553 PolarHBondContact O-N 3.34Å |
| 550 | F | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 175.4 | -80.5 | -33.3 | 0 | 0 | 0 | 112.5 | R531 A534 L535 C546 V547 R552 S553 V554 V563 L567 | R531-F550 HydrophobicContact CG-CE1 4.31Å; A534-F550 HydrophobicContact CB-CB 4.32Å; A534-F550 HydrophobicContact CB-CD1 3.17Å; A534-F550 HydrophobicContact CB-CD2 3.93Å; A534-F550 HydrophobicContact CB-CE1 3.28Å; A534-F550 HydrophobicContact CB-CE2 4.03Å; A534-F550 HydrophobicContact CB-CG 3.52Å; A534-F550 HydrophobicContact CB-CZ 3.71Å; L535-F550 HydrophobicContact CD2-CE1 4.35Å; L535-F550 HydrophobicContact CD2-CZ 3.9Å; L535-F550 HydrophobicContact CG-CE1 4.18Å; L535-F550 HydrophobicContact CG-CZ 4.13Å; C546-F550 WeakPolarHBondContact O-CB 3.4Å; C546-F550 PolarHBondContact O-N 3.38Å; C546-F550 WeakPolarHBondContact SG-CD2 3.4Å; C546-F550 WeakPolarHBondContact SG-CE2 3.41Å; V547-F550 PolarHBondContact O-N 3.31Å; F550-R552 VanDerWaalsContact C-N 3.29Å; F550-R552 PolarHBondContact O-N 3Å; F550-S553 WeakPolarHBondContact O-CB 3.4Å; F550-S553 PolarHBondContact O-N 2.85Å; F550-S553 VanDerWaalsContact O-N 3.12Å; F550-V554 WeakPolarHBondContact O-CG2 3.41Å; F550-V554 PolarHBondContact O-N 2.86Å; F550-V563 HydrophobicContact CB-CG1 4.25Å; F550-V563 HydrophobicContact CD1-CG1 3.56Å; F550-V563 HydrophobicContact CE1-CG1 4.18Å; F550-V563 HydrophobicContact CG-CG1 4.09Å; F550-L567 HydrophobicContact CB-CB 4.09Å; F550-L567 HydrophobicContact CB-CD1 3.84Å; F550-L567 HydrophobicContact CB-CD2 4.39Å; F550-L567 HydrophobicContact CB-CG 4.32Å; F550-L567 HydrophobicContact CD2-CB 4.12Å; F550-L567 HydrophobicContact CD2-CD1 4.45Å; F550-L567 HydrophobicContact CG-CB 4.36Å |
| 551 | E | 98.1 | Very high | 96 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 174.3 | -79.3 | -174.8 | 165.7 | 0 | 0 | 111.8 | V547 V554 K555 L567 Y571 | V547-E551 HydrophobicContact CG1-CG 4.22Å; V547-E551 WeakPolarHBondContact O-CB 3.41Å; V547-E551 WeakPolarHBondContact O-CG 3.35Å; V547-E551 PolarHBondContact O-N 3.04Å; E551-V554 WeakPolarHBondContact O-CG2 3.32Å; E551-K555 VanDerWaalsContact O-CB 3.28Å; E551-K555 WeakPolarHBondContact O-CB 3.49Å; E551-K555 PolarHBondContact O-N 3.4Å; E551-L567 HydrophobicContact CG-CD1 4.48Å; E551-Y571 PolarHBondContact OE1-OH 2.93Å |
| 552 | R | 97.1 | Very high | 95.9 | Very high | 113 Ų | 113 | 48.4 Ų | 48.4 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 174.4 | -70.8 | 169.6 | -171.7 | 174.6 | 8.1 | 111.7 | Q530 E548 C549 F550 K555 I556 | Q530-R552 HydrophobicContact CB-CB 4.33Å; Q530-R552 HydrophobicContact CG-CB 4Å; Q530-R552 VanDerWaalsContact OE1-CD 3.23Å; E548-R552 VanDerWaalsContact O-CG 3.29Å; E548-R552 WeakPolarHBondContact O-CG 3.28Å; E548-R552 PolarHBondContact O-N 2.66Å; E548-R552 VanDerWaalsContact O-N 3.14Å; E548-R552 IonicContact OE2-NH2 2.82Å; C549-R552 PolarHBondContact O-N 3.18Å; F550-R552 VanDerWaalsContact C-N 3.29Å; F550-R552 PolarHBondContact O-N 3Å; R552-K555 PolarHBondContact O-N 3.35Å; R552-I556 WeakPolarHBondContact O-CG1 3.41Å; R552-I556 PolarHBondContact O-N 2.89Å |
| 553 | S | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -50.6 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 112 | A527 C549 F550 K555 I556 N557 Q560 | A527-S553 PolarHBondContact O-OG 3.3Å; C549-S553 PolarHBondContact O-N 3.34Å; F550-S553 WeakPolarHBondContact O-CB 3.4Å; F550-S553 PolarHBondContact O-N 2.85Å; F550-S553 VanDerWaalsContact O-N 3.12Å; S553-K555 VanDerWaalsContact C-N 3.26Å; S553-K555 PolarHBondContact O-N 2.85Å; S553-I556 WeakPolarHBondContact O-CB 3.36Å; S553-I556 PolarHBondContact O-N 3.33Å; S553-I556 VanDerWaalsContact O-N 3.1Å; S553-N557 PolarHBondContact O-N 3.19Å; S553-Q560 PolarHBondContact O-NE2 3.05Å; S553-Q560 PolarHBondContact OG-NE2 3.4Å; S553-Q560 VanDerWaalsContact OG-NE2 3.1Å |
| 554 | V | 95.8 | Very high | 95.8 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71 | -20.8 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 113.5 | F550 E551 I556 N557 P558 V563 W564 L567 | F550-V554 WeakPolarHBondContact O-CG2 3.41Å; F550-V554 PolarHBondContact O-N 2.86Å; E551-V554 WeakPolarHBondContact O-CG2 3.32Å; V554-I556 VanDerWaalsContact C-N 3.32Å; V554-N557 WeakPolarHBondContact CA-O 3.49Å; V554-N557 CarbonylContact O-C 3.45Å; V554-P558 WeakPolarHBondContact O-CA 3.45Å; V554-V563 HydrophobicContact CG1-CB 4.11Å; V554-V563 HydrophobicContact CG1-CG1 3.43Å; V554-V563 VanDerWaalsContact CG1-CG1 3.43Å; V554-W564 HydrophobicContact CB-CH2 3.96Å; V554-W564 HydrophobicContact CB-CZ2 3.62Å; V554-W564 HydrophobicContact CG1-CD2 4.09Å; V554-W564 HydrophobicContact CG1-CE3 4.46Å; V554-W564 HydrophobicContact CG1-CH2 4.47Å; V554-W564 HydrophobicContact CG1-CZ2 4.12Å; V554-W564 HydrophobicContact CG2-CH2 3.56Å; V554-W564 HydrophobicContact CG2-CZ2 3.77Å; V554-W564 HydrophobicContact CG2-CZ3 4.03Å; V554-L567 HydrophobicContact CG2-CD2 4.37Å |
| 555 | K | 96 | Very high | 95.8 | Very high | 186 Ų | 186 | 41 Ų | 41 | 81% | 0.809 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -69.8 | -31 | 171.6 | -176.1 | 177.8 | 179.4 | -178.5 | 0 | 112.2 | E551 R552 S553 | E551-K555 VanDerWaalsContact O-CB 3.28Å; E551-K555 WeakPolarHBondContact O-CB 3.49Å; E551-K555 PolarHBondContact O-N 3.4Å; R552-K555 PolarHBondContact O-N 3.35Å; S553-K555 VanDerWaalsContact C-N 3.26Å; S553-K555 PolarHBondContact O-N 2.85Å |
| 556 | I | 94.3 | Very high | 95.8 | Very high | 41 Ų | 41 | 38.1 Ų | 38.1 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -79.7 | -55.4 | 176 | -61.8 | 166.3 | 0 | 0 | 0 | 109.3 | D147 W519 R525 A527 R552 S553 V554 | D147-I556 WeakPolarHBondContact O-CG2 3.25Å; W519-I556 HydrophobicContact CH2-CD1 3.39Å; W519-I556 HydrophobicContact CH2-CG1 4.5Å; W519-I556 HydrophobicContact CZ3-CD1 3.41Å; W519-I556 VanDerWaalsContact CZ3-CD1 3.41Å; R525-I556 WeakPolarHBondContact O-CG2 3.22Å; A527-I556 HydrophobicContact CB-CB 4.17Å; A527-I556 HydrophobicContact CB-CG2 4Å; R552-I556 WeakPolarHBondContact O-CG1 3.41Å; R552-I556 PolarHBondContact O-N 2.89Å; S553-I556 WeakPolarHBondContact O-CB 3.36Å; S553-I556 PolarHBondContact O-N 3.33Å; S553-I556 VanDerWaalsContact O-N 3.1Å; V554-I556 VanDerWaalsContact C-N 3.32Å |
| 557 | N | 93.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -125.7 | 106.6 | 176 | -173.2 | -8 | 0 | 0 | 0 | 111.4 | E149 R199 A527 S553 V554 M559 Q560 | E149-N557 WeakPolarHBondContact OE1-CB 3.17Å; E149-N557 PolarHBondContact OE1-ND2 2.94Å; R199-N557 PolarHBondContact O-ND2 2.82Å; R199-N557 PolarHBondContact O-OD1 2.66Å; A527-N557 HydrophobicContact CB-CB 4.11Å; S553-N557 PolarHBondContact O-N 3.19Å; V554-N557 WeakPolarHBondContact CA-O 3.49Å; V554-N557 CarbonylContact O-C 3.45Å; N557-M559 VanDerWaalsContact C-N 3.32Å; N557-M559 PolarHBondContact O-N 2.74Å; N557-M559 PolarHBondContact OD1-N 3.32Å; N557-Q560 HydrophobicContact CB-CG 4.33Å; N557-Q560 PolarHBondContact O-NE2 2.85Å | ||
| 558 | P | 93.4 | Very high | 95.8 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 38% | 0.377 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -78.6 | -8.1 | 179.9 | 31.8 | -35.8 | 0 | 0 | 0 | 114.2 | P201 V554 Q560 W564 | P201-P558 HydrophobicContact CG-CG 3.79Å; V554-P558 WeakPolarHBondContact O-CA 3.45Å; P558-Q560 VanDerWaalsContact C-N 3.26Å; P558-Q560 PolarHBondContact O-N 3.4Å; P558-W564 PolarHBondContact O-NE1 2.87Å |
| 559 | M | 91.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 36 Ų | 36 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | trans | -91.5 | 36.3 | -177.1 | -63.4 | -167.8 | 89.4 | 0 | 0 | 113.4 | R199 P201 F204 Y244 N557 | R199-M559 HydrophobicContact CB-CB 3.8Å; R199-M559 HydrophobicContact CB-SD 4.11Å; P201-M559 HydrophobicContact CB-SD 4.29Å; P201-M559 HydrophobicContact CG-CG 3.97Å; P201-M559 HydrophobicContact CG-SD 4.14Å; F204-M559 HydrophobicContact CD1-CE 4.49Å; Y244-M559 HydrophobicContact CD1-CE 3.57Å; Y244-M559 HydrophobicContact CD1-SD 3.89Å; Y244-M559 HydrophobicContact CE1-CE 4.49Å; Y244-M559 HydrophobicContact CE1-SD 4.25Å; Y244-M559 HydrophobicContact CG-CE 4.31Å; N557-M559 VanDerWaalsContact C-N 3.32Å; N557-M559 PolarHBondContact O-N 2.74Å; N557-M559 PolarHBondContact OD1-N 3.32Å | ||
| 560 | Q | 91.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | trans | -109.9 | 86.4 | -179.3 | -63 | -178.2 | 82.5 | 0 | 0 | 111.1 | S553 N557 P558 G562 V563 W564 | S553-Q560 PolarHBondContact O-NE2 3.05Å; S553-Q560 PolarHBondContact OG-NE2 3.4Å; S553-Q560 VanDerWaalsContact OG-NE2 3.1Å; N557-Q560 HydrophobicContact CB-CG 4.33Å; N557-Q560 PolarHBondContact O-NE2 2.85Å; P558-Q560 VanDerWaalsContact C-N 3.26Å; P558-Q560 PolarHBondContact O-N 3.4Å; Q560-G562 PolarHBondContact O-N 3.17Å; Q560-V563 HydrophobicContact CB-CB 3.8Å; Q560-V563 HydrophobicContact CB-CG2 3.69Å; Q560-V563 HydrophobicContact CG-CG2 4.41Å; Q560-V563 PolarHBondContact O-N 3.44Å; Q560-W564 VanDerWaalsContact O-CD1 3.26Å; Q560-W564 PolarHBondContact O-N 3.12Å; Q560-W564 VanDerWaalsContact O-N 3.08Å | ||
| 561 | L | 91.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 36.8 Ų | 36.8 | 12% | 0.12 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.6 | -49.1 | -176.7 | 175 | 65.7 | 0 | 0 | 0 | 112.9 | V563 W564 F565 C587 L590 E591 | L561-V563 PolarHBondContact O-N 3.47Å; L561-W564 PolarHBondContact O-N 3.24Å; L561-F565 PolarHBondContact O-N 2.87Å; L561-C587 HydrophobicContact CD1-CB 4.01Å; L561-L590 HydrophobicContact CB-CD1 4.37Å; L561-L590 HydrophobicContact CD1-CB 4.23Å; L561-E591 HydrophobicContact CD1-CB 4.18Å; L561-E591 HydrophobicContact CD2-CB 3.98Å; L561-E591 VanDerWaalsContact CD2-OE2 3.29Å; L561-E591 WeakPolarHBondContact CD2-OE2 3.43Å |
| 562 | G | 93.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 53% | 0.526 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.3 | -30.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q560 S566 | Q560-G562 PolarHBondContact O-N 3.17Å; G562-S566 WeakPolarHBondContact O-CB 3.39Å; G562-S566 PolarHBondContact O-N 2.73Å; G562-S566 PolarHBondContact O-OG 2.9Å |
| 563 | V | 96.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 2% | 0.024 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.5 | -46.1 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | R531 F550 V554 Q560 L561 F565 S566 L567 | R531-V563 HydrophobicContact CB-CG2 4.41Å; R531-V563 HydrophobicContact CG-CG2 3.66Å; F550-V563 HydrophobicContact CB-CG1 4.25Å; F550-V563 HydrophobicContact CD1-CG1 3.56Å; F550-V563 HydrophobicContact CE1-CG1 4.18Å; F550-V563 HydrophobicContact CG-CG1 4.09Å; V554-V563 HydrophobicContact CG1-CB 4.11Å; V554-V563 HydrophobicContact CG1-CG1 3.43Å; V554-V563 VanDerWaalsContact CG1-CG1 3.43Å; Q560-V563 HydrophobicContact CB-CB 3.8Å; Q560-V563 HydrophobicContact CB-CG2 3.69Å; Q560-V563 HydrophobicContact CG-CG2 4.41Å; Q560-V563 PolarHBondContact O-N 3.44Å; L561-V563 PolarHBondContact O-N 3.47Å; V563-F565 PolarHBondContact O-N 3.13Å; V563-S566 PolarHBondContact O-N 3.31Å; V563-L567 WeakPolarHBondContact O-CB 3.4Å; V563-L567 PolarHBondContact O-N 3.44Å |
| 564 | W | 97.8 | Very high | 95.8 | Very high | 35 Ų | 35 | 34.5 Ų | 34.5 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.5 | -39.7 | 175 | -77 | 115.7 | 0 | 0 | 0 | 112.1 | V554 P558 Q560 L561 L567 G568 A583 R586 C587 | V554-W564 HydrophobicContact CB-CH2 3.96Å; V554-W564 HydrophobicContact CB-CZ2 3.62Å; V554-W564 HydrophobicContact CG1-CD2 4.09Å; V554-W564 HydrophobicContact CG1-CE3 4.46Å; V554-W564 HydrophobicContact CG1-CH2 4.47Å; V554-W564 HydrophobicContact CG1-CZ2 4.12Å; V554-W564 HydrophobicContact CG2-CH2 3.56Å; V554-W564 HydrophobicContact CG2-CZ2 3.77Å; V554-W564 HydrophobicContact CG2-CZ3 4.03Å; P558-W564 PolarHBondContact O-NE1 2.87Å; Q560-W564 VanDerWaalsContact O-CD1 3.26Å; Q560-W564 PolarHBondContact O-N 3.12Å; Q560-W564 VanDerWaalsContact O-N 3.08Å; L561-W564 PolarHBondContact O-N 3.24Å; W564-L567 HydrophobicContact CE3-CD2 3.91Å; W564-L567 HydrophobicContact CZ3-CD2 3.83Å; W564-G568 PolarHBondContact O-N 2.64Å; W564-A583 HydrophobicContact CE3-CB 4.04Å; W564-R586 HydrophobicContact CB-CB 4.46Å; W564-R586 HydrophobicContact CD2-CB 3.65Å; W564-R586 HydrophobicContact CD2-CG 4.06Å; W564-R586 HydrophobicContact CE3-CB 3.98Å; W564-R586 HydrophobicContact CE3-CG 4.13Å; W564-R586 HydrophobicContact CG-CB 3.88Å; W564-R586 HydrophobicContact CH2-CG 4.09Å; W564-R586 HydrophobicContact CZ2-CB 4.43Å; W564-R586 HydrophobicContact CZ2-CG 4.01Å; W564-R586 HydrophobicContact CZ3-CG 4.15Å; W564-C587 WeakPolarHBondContact CB-SG 3.07Å |
| 565 | F | 97.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -49 | 178.1 | -172.1 | -85.6 | 0 | 0 | 0 | 111.1 | L561 V563 L567 G568 C569 F584 C587 E596 A597 | L561-F565 PolarHBondContact O-N 2.87Å; V563-F565 PolarHBondContact O-N 3.13Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 2.99Å; F565-G568 PolarHBondContact O-N 2.77Å; F565-C569 PolarHBondContact O-N 3.15Å; F565-C569 PolarHBondContact O-SG 2.81Å; F565-F584 HydrophobicContact CD2-CD1 4.24Å; F565-F584 AromaticContact CD2-CE1 3.79Å; F565-F584 HydrophobicContact CD2-CE1 3.79Å; F565-F584 HydrophobicContact CE2-CD1 4.49Å; F565-F584 AromaticContact CE2-CE1 3.89Å; F565-F584 HydrophobicContact CE2-CE1 3.89Å; F565-F584 HydrophobicContact CG-CE1 4.23Å; F565-F584 HydrophobicContact CZ-CE1 4.38Å; F565-C587 VanDerWaalsContact CA-SG 3.51Å; F565-C587 PolarHBondContact N-SG 3.36Å; F565-E596 HydrophobicContact CE2-CB 4.28Å; F565-E596 HydrophobicContact CE2-CG 3.95Å; F565-E596 VanDerWaalsContact CZ-CD 3.49Å; F565-E596 HydrophobicContact CZ-CG 3.76Å; F565-E596 WeakPolarHBondContact CZ-OE1 3.46Å; F565-A597 HydrophobicContact CD2-CB 4.3Å; F565-A597 HydrophobicContact CE2-CB 4.39Å |
| 566 | S | 97.7 | Very high | 96 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 20% | 0.196 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -39.1 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | G562 V563 C569 A570 | G562-S566 WeakPolarHBondContact O-CB 3.39Å; G562-S566 PolarHBondContact O-N 2.73Å; G562-S566 PolarHBondContact O-OG 2.9Å; V563-S566 PolarHBondContact O-N 3.31Å; S566-C569 PolarHBondContact O-N 3.47Å; S566-A570 PolarHBondContact O-N 3.26Å |
| 567 | L | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 173.6 | 176.6 | 57.3 | 0 | 0 | 0 | 111.4 | V547 F550 E551 V554 V563 W564 F565 C569 A570 Y571 A583 | V547-L567 HydrophobicContact CB-CD1 4.24Å; V547-L567 HydrophobicContact CG1-CD1 4.08Å; V547-L567 HydrophobicContact CG2-CD1 4.03Å; F550-L567 HydrophobicContact CB-CB 4.09Å; F550-L567 HydrophobicContact CB-CD1 3.84Å; F550-L567 HydrophobicContact CB-CD2 4.39Å; F550-L567 HydrophobicContact CB-CG 4.32Å; F550-L567 HydrophobicContact CD2-CB 4.12Å; F550-L567 HydrophobicContact CD2-CD1 4.45Å; F550-L567 HydrophobicContact CG-CB 4.36Å; E551-L567 HydrophobicContact CG-CD1 4.48Å; V554-L567 HydrophobicContact CG2-CD2 4.37Å; V563-L567 WeakPolarHBondContact O-CB 3.4Å; V563-L567 PolarHBondContact O-N 3.44Å; W564-L567 HydrophobicContact CE3-CD2 3.91Å; W564-L567 HydrophobicContact CZ3-CD2 3.83Å; F565-L567 VanDerWaalsContact C-N 3.34Å; F565-L567 PolarHBondContact O-N 2.99Å; L567-C569 PolarHBondContact O-N 2.81Å; L567-A570 PolarHBondContact O-N 3.01Å; L567-Y571 HydrophobicContact CD1-CD2 3.88Å; L567-Y571 HydrophobicContact CD1-CE2 3.44Å; L567-Y571 VanDerWaalsContact CD1-CE2 3.44Å; L567-Y571 HydrophobicContact CD2-CE2 4.07Å; L567-Y571 HydrophobicContact CG-CD2 3.91Å; L567-Y571 HydrophobicContact CG-CE2 3.52Å; L567-Y571 WeakPolarHBondContact O-CD2 3.48Å; L567-Y571 PolarHBondContact O-N 2.91Å; L567-A583 HydrophobicContact CG-CB 4.24Å |
| 568 | G | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | W564 F565 Y571 L572 S580 F584 | W564-G568 PolarHBondContact O-N 2.64Å; F565-G568 PolarHBondContact O-N 2.77Å; G568-Y571 PolarHBondContact O-N 3.44Å; G568-L572 WeakPolarHBondContact O-CG 3.44Å; G568-L572 PolarHBondContact O-N 3.26Å; G568-S580 PolarHBondContact O-OG 2.91Å; G568-F584 VanDerWaalsContact C-CE2 3.45Å; G568-F584 VanDerWaalsContact C-CZ 3.45Å |
| 569 | C | 97.7 | Very high | 96.6 | Very high | 46 Ų | 46 | 37 Ų | 37 | 31% | 0.311 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -41.2 | 174.9 | -68.7 | 0 | 0 | 0 | 0 | 112.6 | F565 S566 L567 L572 A573 | F565-C569 PolarHBondContact O-N 3.15Å; F565-C569 PolarHBondContact O-SG 2.81Å; S566-C569 PolarHBondContact O-N 3.47Å; L567-C569 PolarHBondContact O-N 2.81Å; C569-L572 WeakPolarHBondContact O-CB 3.49Å; C569-L572 PolarHBondContact O-N 2.77Å; C569-A573 PolarHBondContact O-N 3.35Å |
| 570 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | V547 S566 L567 L572 A573 L574 | V547-A570 HydrophobicContact CG2-CB 3.78Å; S566-A570 PolarHBondContact O-N 3.26Å; L567-A570 PolarHBondContact O-N 3.01Å; A570-L572 PolarHBondContact O-N 2.69Å; A570-A573 WeakPolarHBondContact O-CB 3.48Å; A570-A573 PolarHBondContact O-N 3.21Å; A570-L574 PolarHBondContact O-N 3.35Å; A570-L574 VanDerWaalsContact O-N 3.09Å |
| 571 | Y | 98.4 | Very high | 97.2 | Very high | 24 Ų | 24 | 36.2 Ų | 36.2 | 9% | 0.094 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -39.1 | 173 | -76.6 | -56.4 | 0 | 0 | 0 | 113.1 | V547 E551 L567 G568 A573 L574 E575 D576 G579 A583 | V547-Y571 HydrophobicContact CB-CE1 4.39Å; V547-Y571 HydrophobicContact CG1-CD1 4.07Å; V547-Y571 HydrophobicContact CG1-CE1 3.35Å; V547-Y571 HydrophobicContact CG2-CD1 3.91Å; V547-Y571 HydrophobicContact CG2-CE1 4.06Å; V547-Y571 HydrophobicContact CG2-CG 4.34Å; E551-Y571 PolarHBondContact OE1-OH 2.93Å; L567-Y571 HydrophobicContact CD1-CD2 3.88Å; L567-Y571 HydrophobicContact CD1-CE2 3.44Å; L567-Y571 VanDerWaalsContact CD1-CE2 3.44Å; L567-Y571 HydrophobicContact CD2-CE2 4.07Å; L567-Y571 HydrophobicContact CG-CD2 3.91Å; L567-Y571 HydrophobicContact CG-CE2 3.52Å; L567-Y571 WeakPolarHBondContact O-CD2 3.48Å; L567-Y571 PolarHBondContact O-N 2.91Å; G568-Y571 PolarHBondContact O-N 3.44Å; Y571-A573 VanDerWaalsContact C-N 3.29Å; Y571-A573 PolarHBondContact O-N 3.01Å; Y571-L574 CarbonylContact O-C 3.57Å; Y571-L574 PolarHBondContact O-N 2.94Å; Y571-E575 PolarHBondContact O-N 2.99Å; Y571-E575 VanDerWaalsContact O-N 3.09Å; Y571-D576 WeakPolarHBondContact CB-O 3.22Å; Y571-D576 HydrophobicContact CD1-CB 3.98Å; Y571-D576 PolarHBondContact O-N 3.41Å; Y571-G579 WeakPolarHBondContact CD2-O 3.22Å; Y571-A583 HydrophobicContact CD2-CB 4.27Å; Y571-A583 HydrophobicContact CE2-CB 4.4Å |
| 572 | L | 97.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 41.1 Ų | 41.1 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -40.9 | 173.7 | -75.7 | 178.5 | 0 | 0 | 0 | 111.7 | G568 C569 A570 L574 E575 Y577 S580 F584 | G568-L572 WeakPolarHBondContact O-CG 3.44Å; G568-L572 PolarHBondContact O-N 3.26Å; C569-L572 WeakPolarHBondContact O-CB 3.49Å; C569-L572 PolarHBondContact O-N 2.77Å; A570-L572 PolarHBondContact O-N 2.69Å; L572-L574 VanDerWaalsContact C-N 3.29Å; L572-L574 PolarHBondContact O-N 3.43Å; L572-E575 PolarHBondContact O-N 3.27Å; L572-Y577 HydrophobicContact CD2-CD1 3.92Å; L572-Y577 HydrophobicContact CD2-CE1 4.28Å; L572-S580 VanDerWaalsContact CD2-OG 3.28Å; L572-S580 WeakPolarHBondContact CD2-OG 3.33Å; L572-S580 VanDerWaalsContact CG-OG 3.25Å; L572-S580 WeakPolarHBondContact CG-OG 3.46Å; L572-F584 HydrophobicContact CD1-CE2 3.74Å; L572-F584 HydrophobicContact CD1-CZ 4.21Å; L572-F584 HydrophobicContact CG-CE2 4.14Å |
| 573 | A | 96.9 | Very high | 97.7 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 41% | 0.413 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.1 | -31.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F543 C569 A570 Y571 E575 | F543-A573 HydrophobicContact CD1-CB 3.69Å; F543-A573 HydrophobicContact CD2-CB 3.87Å; F543-A573 HydrophobicContact CE1-CB 3.65Å; F543-A573 HydrophobicContact CE2-CB 3.83Å; F543-A573 HydrophobicContact CG-CB 3.81Å; F543-A573 HydrophobicContact CZ-CB 3.72Å; C569-A573 PolarHBondContact O-N 3.35Å; A570-A573 WeakPolarHBondContact O-CB 3.48Å; A570-A573 PolarHBondContact O-N 3.21Å; Y571-A573 VanDerWaalsContact C-N 3.29Å; Y571-A573 PolarHBondContact O-N 3.01Å; A573-E575 VanDerWaalsContact C-N 3.26Å |
| 574 | L | 97.5 | Very high | 97.8 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -2 | 171.7 | -68 | 175.6 | 0 | 0 | 0 | 113.9 | F543 V547 A570 Y571 L572 D576 | F543-L574 HydrophobicContact CB-CD1 4.21Å; F543-L574 HydrophobicContact CB-CD2 3.61Å; F543-L574 HydrophobicContact CB-CG 3.66Å; V547-L574 HydrophobicContact CB-CD1 4.45Å; V547-L574 HydrophobicContact CG2-CD1 3.78Å; A570-L574 PolarHBondContact O-N 3.35Å; A570-L574 VanDerWaalsContact O-N 3.09Å; Y571-L574 CarbonylContact O-C 3.57Å; Y571-L574 PolarHBondContact O-N 2.94Å; L572-L574 VanDerWaalsContact C-N 3.29Å; L572-L574 PolarHBondContact O-N 3.43Å; L574-D576 PolarHBondContact O-N 3.41Å; L574-D576 VanDerWaalsContact O-N 3.15Å |
| 575 | E | 97.1 | Very high | 97.7 | Very high | 135 Ų | 135 | 41.5 Ų | 41.5 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 17.5 | -171 | -52.6 | -170 | 176.2 | 0 | 0 | 114.5 | Y571 L572 A573 Y577 | Y571-E575 PolarHBondContact O-N 2.99Å; Y571-E575 VanDerWaalsContact O-N 3.09Å; L572-E575 PolarHBondContact O-N 3.27Å; A573-E575 VanDerWaalsContact C-N 3.26Å; E575-Y577 VanDerWaalsContact C-N 3.27Å; E575-Y577 HydrophobicContact CB-CE1 4.48Å; E575-Y577 HydrophobicContact CB-CE2 3.94Å; E575-Y577 WeakPolarHBondContact O-CD2 3.5Å; E575-Y577 VanDerWaalsContact O-CE2 3.26Å; E575-Y577 WeakPolarHBondContact O-CE2 3.44Å; E575-Y577 PolarHBondContact O-N 2.82Å |
| 576 | D | 98 | Very high | 97.6 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | trans | -79.9 | 78.9 | 167.8 | -176.5 | -0.2 | 0 | 0 | 0 | 109.8 | Y571 L574 Q578 G579 S580 | Y571-D576 WeakPolarHBondContact CB-O 3.22Å; Y571-D576 HydrophobicContact CD1-CB 3.98Å; Y571-D576 PolarHBondContact O-N 3.41Å; L574-D576 PolarHBondContact O-N 3.41Å; L574-D576 VanDerWaalsContact O-N 3.15Å; D576-Q578 PolarHBondContact O-N 3.41Å; D576-Q578 PolarHBondContact OD1-N 2.98Å; D576-Q578 VanDerWaalsContact OD1-N 3.15Å; D576-G579 PolarHBondContact O-N 3.14Å; D576-G579 PolarHBondContact OD1-N 3.12Å; D576-S580 WeakPolarHBondContact O-CB 3.48Å; D576-S580 PolarHBondContact O-N 3.45Å | ||
| 577 | Y | 98.1 | Very high | 97.5 | Very high | 47 Ų | 47 | 44.9 Ų | 44.9 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.4 | -21.3 | -178.8 | -52.2 | -65.3 | 0 | 0 | 0 | 113.3 | L572 E575 A581 R607 | L572-Y577 HydrophobicContact CD2-CD1 3.92Å; L572-Y577 HydrophobicContact CD2-CE1 4.28Å; E575-Y577 VanDerWaalsContact C-N 3.27Å; E575-Y577 HydrophobicContact CB-CE1 4.48Å; E575-Y577 HydrophobicContact CB-CE2 3.94Å; E575-Y577 WeakPolarHBondContact O-CD2 3.5Å; E575-Y577 VanDerWaalsContact O-CE2 3.26Å; E575-Y577 WeakPolarHBondContact O-CE2 3.44Å; E575-Y577 PolarHBondContact O-N 2.82Å; Y577-A581 VanDerWaalsContact O-CB 3.32Å; Y577-A581 WeakPolarHBondContact O-CB 3.37Å; Y577-A581 PolarHBondContact O-N 3.36Å; Y577-R607 HydrophobicContact CD1-CB 3.35Å; Y577-R607 HydrophobicContact CD1-CG 3.71Å; Y577-R607 HydrophobicContact CD2-CB 3.67Å; Y577-R607 HydrophobicContact CE1-CB 3.49Å; Y577-R607 VanDerWaalsContact CE1-CB 3.49Å; Y577-R607 HydrophobicContact CE1-CG 3.41Å; Y577-R607 VanDerWaalsContact CE1-CG 3.41Å; Y577-R607 HydrophobicContact CE2-CB 3.8Å; Y577-R607 HydrophobicContact CE2-CG 4.38Å; Y577-R607 HydrophobicContact CG-CB 3.44Å; Y577-R607 VanDerWaalsContact CG-CB 3.44Å; Y577-R607 HydrophobicContact CG-CG 4.3Å |
| 578 | Q | 97.9 | Very high | 97.2 | Very high | 93 Ų | 93 | 45.3 Ų | 45.3 | 44% | 0.435 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -77.1 | -44.3 | 178.4 | -171.6 | 70.3 | 17.1 | 0 | 0 | 110.8 | D576 K582 L608 | D576-Q578 PolarHBondContact O-N 3.41Å; D576-Q578 PolarHBondContact OD1-N 2.98Å; D576-Q578 VanDerWaalsContact OD1-N 3.15Å; Q578-K582 WeakPolarHBondContact O-CG 3.43Å; Q578-K582 PolarHBondContact O-N 3.27Å; Q578-L608 HydrophobicContact CB-CD2 4.48Å |
| 579 | G | 97.7 | Very high | 96.9 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y571 D576 A581 K582 A583 | Y571-G579 WeakPolarHBondContact CD2-O 3.22Å; D576-G579 PolarHBondContact O-N 3.14Å; D576-G579 PolarHBondContact OD1-N 3.12Å; G579-A581 PolarHBondContact O-N 3.39Å; G579-K582 WeakPolarHBondContact O-CB 3.41Å; G579-K582 PolarHBondContact O-N 3.06Å; G579-K582 VanDerWaalsContact O-N 3.15Å; G579-A583 PolarHBondContact O-N 2.55Å |
| 580 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.8 | -49.9 | 176.7 | 175 | 0 | 0 | 0 | 0 | 112.6 | G568 L572 D576 K582 A583 F584 S604 | G568-S580 PolarHBondContact O-OG 2.91Å; L572-S580 VanDerWaalsContact CD2-OG 3.28Å; L572-S580 WeakPolarHBondContact CD2-OG 3.33Å; L572-S580 VanDerWaalsContact CG-OG 3.25Å; L572-S580 WeakPolarHBondContact CG-OG 3.46Å; D576-S580 WeakPolarHBondContact O-CB 3.48Å; D576-S580 PolarHBondContact O-N 3.45Å; S580-K582 VanDerWaalsContact C-N 3.29Å; S580-K582 PolarHBondContact O-N 3.24Å; S580-A583 PolarHBondContact O-N 2.87Å; S580-A583 VanDerWaalsContact O-N 3.17Å; S580-F584 VanDerWaalsContact O-CD2 3.29Å; S580-F584 WeakPolarHBondContact O-CD2 3.47Å; S580-F584 PolarHBondContact O-N 2.93Å; S580-F584 VanDerWaalsContact OG-CD2 3.31Å; S580-F584 WeakPolarHBondContact OG-CD2 3.35Å; S580-F584 VanDerWaalsContact OG-CE2 3.24Å; S580-F584 WeakPolarHBondContact OG-CE2 3.47Å; S580-S604 PolarHBondContact OG-OG 3.28Å |
| 581 | A | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.033 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y577 G579 Q585 L601 Y605 L608 | Y577-A581 VanDerWaalsContact O-CB 3.32Å; Y577-A581 WeakPolarHBondContact O-CB 3.37Å; Y577-A581 PolarHBondContact O-N 3.36Å; G579-A581 PolarHBondContact O-N 3.39Å; A581-Q585 WeakPolarHBondContact O-CB 3.48Å; A581-Q585 PolarHBondContact O-N 2.76Å; A581-L601 HydrophobicContact CB-CD1 4.05Å; A581-L601 VanDerWaalsContact O-CD1 3.25Å; A581-L601 WeakPolarHBondContact O-CD1 3.43Å; A581-Y605 HydrophobicContact CB-CE1 4.17Å; A581-L608 HydrophobicContact CB-CD1 4.24Å |
| 582 | K | 97.7 | Very high | 95.2 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 175.7 | -70.5 | 172.3 | -177.7 | 174.5 | 0 | 111.8 | Q578 G579 S580 Q585 R586 | Q578-K582 WeakPolarHBondContact O-CG 3.43Å; Q578-K582 PolarHBondContact O-N 3.27Å; G579-K582 WeakPolarHBondContact O-CB 3.41Å; G579-K582 PolarHBondContact O-N 3.06Å; G579-K582 VanDerWaalsContact O-N 3.15Å; S580-K582 VanDerWaalsContact C-N 3.29Å; S580-K582 PolarHBondContact O-N 3.24Å; K582-Q585 PolarHBondContact O-N 3.1Å; K582-R586 PolarHBondContact O-N 3.4Å |
| 583 | A | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.4 | -47.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | W564 L567 Y571 G579 S580 Q585 R586 C587 | W564-A583 HydrophobicContact CE3-CB 4.04Å; L567-A583 HydrophobicContact CG-CB 4.24Å; Y571-A583 HydrophobicContact CD2-CB 4.27Å; Y571-A583 HydrophobicContact CE2-CB 4.4Å; G579-A583 PolarHBondContact O-N 2.55Å; S580-A583 PolarHBondContact O-N 2.87Å; S580-A583 VanDerWaalsContact O-N 3.17Å; A583-Q585 VanDerWaalsContact C-N 3.33Å; A583-Q585 PolarHBondContact O-N 3.02Å; A583-R586 WeakPolarHBondContact O-CB 2.93Å; A583-R586 PolarHBondContact O-N 3.1Å; A583-R586 VanDerWaalsContact O-N 3.14Å; A583-C587 PolarHBondContact O-N 3.32Å; A583-C587 PolarHBondContact O-SG 2.92Å; A583-C587 VanDerWaalsContact O-SG 3.33Å |
| 584 | F | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.3 | -30.2 | 175 | -68.4 | -60.5 | 0 | 0 | 0 | 112.9 | F565 G568 L572 S580 R586 C587 V588 A597 N600 L601 | F565-F584 HydrophobicContact CD2-CD1 4.24Å; F565-F584 AromaticContact CD2-CE1 3.79Å; F565-F584 HydrophobicContact CD2-CE1 3.79Å; F565-F584 HydrophobicContact CE2-CD1 4.49Å; F565-F584 AromaticContact CE2-CE1 3.89Å; F565-F584 HydrophobicContact CE2-CE1 3.89Å; F565-F584 HydrophobicContact CG-CE1 4.23Å; F565-F584 HydrophobicContact CZ-CE1 4.38Å; G568-F584 VanDerWaalsContact C-CE2 3.45Å; G568-F584 VanDerWaalsContact C-CZ 3.45Å; L572-F584 HydrophobicContact CD1-CE2 3.74Å; L572-F584 HydrophobicContact CD1-CZ 4.21Å; L572-F584 HydrophobicContact CG-CE2 4.14Å; S580-F584 VanDerWaalsContact O-CD2 3.29Å; S580-F584 WeakPolarHBondContact O-CD2 3.47Å; S580-F584 PolarHBondContact O-N 2.93Å; S580-F584 VanDerWaalsContact OG-CD2 3.31Å; S580-F584 WeakPolarHBondContact OG-CD2 3.35Å; S580-F584 VanDerWaalsContact OG-CE2 3.24Å; S580-F584 WeakPolarHBondContact OG-CE2 3.47Å; F584-R586 VanDerWaalsContact C-N 3.27Å; F584-R586 PolarHBondContact O-N 3.22Å; F584-C587 WeakPolarHBondContact O-CB 3.46Å; F584-C587 PolarHBondContact O-N 3.33Å; F584-C587 VanDerWaalsContact O-N 3.14Å; F584-V588 PolarHBondContact O-N 2.94Å; F584-A597 HydrophobicContact CD1-CB 4.4Å; F584-N600 HydrophobicContact CD1-CB 3.92Å; F584-N600 HydrophobicContact CD2-CB 3.8Å; F584-N600 HydrophobicContact CE1-CB 3.63Å; F584-N600 HydrophobicContact CE2-CB 3.51Å; F584-N600 HydrophobicContact CG-CB 4.01Å; F584-N600 HydrophobicContact CZ-CB 3.41Å; F584-N600 VanDerWaalsContact CZ-CB 3.41Å; F584-L601 HydrophobicContact CB-CB 3.77Å; F584-L601 HydrophobicContact CB-CD1 4.21Å |
| 585 | Q | 96.8 | Very high | 93.3 | Very high | 97 Ų | 97 | 50.4 Ų | 50.4 | 45% | 0.453 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61 | -38 | 170.5 | -174.6 | 173.4 | 10 | 0 | 0 | 111.5 | A581 K582 A583 V588 T589 L601 | A581-Q585 WeakPolarHBondContact O-CB 3.48Å; A581-Q585 PolarHBondContact O-N 2.76Å; K582-Q585 PolarHBondContact O-N 3.1Å; A583-Q585 VanDerWaalsContact C-N 3.33Å; A583-Q585 PolarHBondContact O-N 3.02Å; Q585-V588 WeakPolarHBondContact O-CG2 3.32Å; Q585-T589 WeakPolarHBondContact O-CB 3Å; Q585-T589 PolarHBondContact O-N 2.74Å; Q585-T589 PolarHBondContact O-OG1 2.83Å; Q585-L601 HydrophobicContact CB-CD1 4.44Å |
| 586 | R | 95.9 | Very high | 92.9 | Very high | 139 Ų | 139 | 49.6 Ų | 49.6 | 53% | 0.525 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -41.4 | 171.5 | -71.2 | -63.4 | -172.1 | 179.9 | 1.7 | 112 | W564 K582 A583 F584 V588 T589 L590 | W564-R586 HydrophobicContact CB-CB 4.46Å; W564-R586 HydrophobicContact CD2-CB 3.65Å; W564-R586 HydrophobicContact CD2-CG 4.06Å; W564-R586 HydrophobicContact CE3-CB 3.98Å; W564-R586 HydrophobicContact CE3-CG 4.13Å; W564-R586 HydrophobicContact CG-CB 3.88Å; W564-R586 HydrophobicContact CH2-CG 4.09Å; W564-R586 HydrophobicContact CZ2-CB 4.43Å; W564-R586 HydrophobicContact CZ2-CG 4.01Å; W564-R586 HydrophobicContact CZ3-CG 4.15Å; K582-R586 PolarHBondContact O-N 3.4Å; A583-R586 WeakPolarHBondContact O-CB 2.93Å; A583-R586 PolarHBondContact O-N 3.1Å; A583-R586 VanDerWaalsContact O-N 3.14Å; F584-R586 VanDerWaalsContact C-N 3.27Å; F584-R586 PolarHBondContact O-N 3.22Å; R586-V588 PolarHBondContact O-N 3.45Å; R586-T589 WeakPolarHBondContact O-CB 3.43Å; R586-T589 PolarHBondContact O-N 3.39Å; R586-L590 WeakPolarHBondContact O-CG 3.43Å; R586-L590 PolarHBondContact O-N 3.29Å |
| 587 | C | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56 | -51.3 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | L561 W564 F565 A583 F584 T589 L590 E591 A597 | L561-C587 HydrophobicContact CD1-CB 4.01Å; W564-C587 WeakPolarHBondContact CB-SG 3.07Å; F565-C587 VanDerWaalsContact CA-SG 3.51Å; F565-C587 PolarHBondContact N-SG 3.36Å; A583-C587 PolarHBondContact O-N 3.32Å; A583-C587 PolarHBondContact O-SG 2.92Å; A583-C587 VanDerWaalsContact O-SG 3.33Å; F584-C587 WeakPolarHBondContact O-CB 3.46Å; F584-C587 PolarHBondContact O-N 3.33Å; F584-C587 VanDerWaalsContact O-N 3.14Å; C587-T589 PolarHBondContact O-N 3.07Å; C587-L590 PolarHBondContact O-N 2.92Å; C587-E591 PolarHBondContact O-N 3.42Å; C587-A597 HydrophobicContact CB-CB 3.69Å |
| 588 | V | 92.3 | Very high | 92.6 | Very high | 9 Ų | 9 | 46 Ų | 46 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75.1 | -13.6 | -178.6 | -55.5 | 0 | 0 | 0 | 0 | 113.6 | F584 Q585 R586 P592 A597 W598 L601 | F584-V588 PolarHBondContact O-N 2.94Å; Q585-V588 WeakPolarHBondContact O-CG2 3.32Å; R586-V588 PolarHBondContact O-N 3.45Å; V588-P592 VanDerWaalsContact O-CA 3.26Å; V588-P592 WeakPolarHBondContact O-CA 3.35Å; V588-A597 HydrophobicContact CG1-CB 3.75Å; V588-W598 HydrophobicContact CB-CD2 3.93Å; V588-W598 HydrophobicContact CB-CE3 4.27Å; V588-W598 HydrophobicContact CB-CH2 3.99Å; V588-W598 HydrophobicContact CB-CZ2 3.64Å; V588-W598 HydrophobicContact CB-CZ3 4.29Å; V588-W598 HydrophobicContact CG1-CB 4.41Å; V588-W598 HydrophobicContact CG1-CD2 3.52Å; V588-W598 HydrophobicContact CG1-CE3 3.95Å; V588-W598 HydrophobicContact CG1-CG 3.72Å; V588-W598 HydrophobicContact CG1-CZ2 4.22Å; V588-W598 HydrophobicContact CG1-CZ3 4.43Å; V588-W598 HydrophobicContact CG2-CD2 4.35Å; V588-W598 HydrophobicContact CG2-CE3 4.19Å; V588-W598 HydrophobicContact CG2-CH2 3.65Å; V588-W598 HydrophobicContact CG2-CZ2 3.84Å; V588-W598 HydrophobicContact CG2-CZ3 3.83Å; V588-L601 HydrophobicContact CG2-CD2 4.01Å |
| 589 | T | 91.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 42.4 Ų | 42.4 | 53% | 0.534 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.8 | -42.5 | 169.9 | -57.1 | 0 | 0 | 0 | 0 | 110.4 | Q585 R586 C587 | Q585-T589 WeakPolarHBondContact O-CB 3Å; Q585-T589 PolarHBondContact O-N 2.74Å; Q585-T589 PolarHBondContact O-OG1 2.83Å; R586-T589 WeakPolarHBondContact O-CB 3.43Å; R586-T589 PolarHBondContact O-N 3.39Å; C587-T589 PolarHBondContact O-N 3.07Å |
| 590 | L | 88.3 | Confident | 92.4 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.7 | -49.4 | 174.9 | -66.7 | 173.4 | 0 | 0 | 0 | 110.2 | Y245 L561 R586 C587 P592 | Y245-L590 WeakPolarHBondContact CB-O 3.35Å; Y245-L590 HydrophobicContact CD2-CB 4.3Å; Y245-L590 HydrophobicContact CD2-CD2 4.29Å; L561-L590 HydrophobicContact CB-CD1 4.37Å; L561-L590 HydrophobicContact CD1-CB 4.23Å; R586-L590 WeakPolarHBondContact O-CG 3.43Å; R586-L590 PolarHBondContact O-N 3.29Å; C587-L590 PolarHBondContact O-N 2.92Å; L590-P592 WeakPolarHBondContact O-CD 3.34Å |
| 591 | E | 85.6 | Confident | 92.3 | Very high | 50 Ų | 50 | 43.6 Ų | 43.6 | 23% | 0.234 | 21% | 0.213 | C | C | . | . | trans | -125 | 88.7 | -179.1 | -169 | 177.5 | -136.4 | 0 | 0 | 110.8 | Y247 L561 C587 D593 N594 | Y247-E591 HydrophobicContact CE2-CG 4.29Å; L561-E591 HydrophobicContact CD1-CB 4.18Å; L561-E591 HydrophobicContact CD2-CB 3.98Å; L561-E591 VanDerWaalsContact CD2-OE2 3.29Å; L561-E591 WeakPolarHBondContact CD2-OE2 3.43Å; C587-E591 PolarHBondContact O-N 3.42Å; E591-D593 PolarHBondContact O-N 3.27Å; E591-D593 VanDerWaalsContact O-N 3.14Å; E591-N594 HydrophobicContact CB-CB 4.19Å; E591-N594 HydrophobicContact CG-CB 3.99Å; E591-N594 WeakPolarHBondContact O-CB 3.22Å; E591-N594 PolarHBondContact O-N 3.07Å; E591-N594 WeakPolarHBondContact OE2-CB 3.41Å; E591-N594 PolarHBondContact OE2-ND2 3.4Å | ||
| 592 | P | 84 | Confident | 92.2 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 22% | 0.221 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.5 | -179.1 | -24.9 | 35 | 0 | 0 | 0 | 114.9 | V588 L590 W598 | V588-P592 VanDerWaalsContact O-CA 3.26Å; V588-P592 WeakPolarHBondContact O-CA 3.35Å; L590-P592 WeakPolarHBondContact O-CD 3.34Å; P592-W598 PolarHBondContact O-NE1 3.28Å |
| 593 | D | 78.7 | Confident | 92.1 | Very high | 87 Ų | 87 | 39.1 Ų | 39.1 | 47% | 0.465 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 5.6 | -178.1 | -61.2 | -39.1 | 0 | 0 | 0 | 113 | E591 A595 C624 | E591-D593 PolarHBondContact O-N 3.27Å; E591-D593 VanDerWaalsContact O-N 3.14Å; D593-A595 PolarHBondContact O-N 2.96Å; D593-C624 WeakPolarHBondContact O-CB 3.4Å |
| 594 | N | 84.9 | Confident | 92.1 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | trans | -77.1 | 92.8 | 178.1 | -166.6 | -43.9 | 0 | 0 | 0 | 111.6 | E591 E596 A597 W598 | E591-N594 HydrophobicContact CB-CB 4.19Å; E591-N594 HydrophobicContact CG-CB 3.99Å; E591-N594 WeakPolarHBondContact O-CB 3.22Å; E591-N594 PolarHBondContact O-N 3.07Å; E591-N594 WeakPolarHBondContact OE2-CB 3.41Å; E591-N594 PolarHBondContact OE2-ND2 3.4Å; N594-E596 VanDerWaalsContact C-N 3.25Å; N594-E596 PolarHBondContact O-N 2.85Å; N594-E596 PolarHBondContact OD1-N 3.49Å; N594-A597 HydrophobicContact CB-CB 3.94Å; N594-A597 PolarHBondContact O-N 3.15Å; N594-A597 WeakPolarHBondContact OD1-CB 3.33Å; N594-A597 PolarHBondContact OD1-N 2.87Å; N594-W598 VanDerWaalsContact O-CD1 3.27Å; N594-W598 PolarHBondContact O-N 3.25Å; N594-W598 VanDerWaalsContact O-N 3.08Å | ||
| 595 | A | 86.9 | Confident | 92.1 | Very high | 15 Ų | 15 | 40.2 Ų | 40.2 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.7 | -36.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | D593 W598 N599 C624 N625 I631 | D593-A595 PolarHBondContact O-N 2.96Å; A595-W598 PolarHBondContact O-N 3.33Å; A595-N599 WeakPolarHBondContact O-CB 3.5Å; A595-N599 PolarHBondContact O-N 3.08Å; A595-C624 HydrophobicContact CB-CB 3.64Å; A595-N625 HydrophobicContact CB-CB 3.52Å; A595-I631 HydrophobicContact CB-CD1 4.34Å |
| 596 | E | 90.6 | Very high | 92 | Very high | 118 Ų | 118 | 38.6 Ų | 38.6 | 55% | 0.551 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -69.8 | -44.2 | -178.8 | -168.6 | 177.2 | 177.8 | 0 | 0 | 111.2 | F565 N594 W598 N599 N600 | F565-E596 HydrophobicContact CE2-CB 4.28Å; F565-E596 HydrophobicContact CE2-CG 3.95Å; F565-E596 VanDerWaalsContact CZ-CD 3.49Å; F565-E596 HydrophobicContact CZ-CG 3.76Å; F565-E596 WeakPolarHBondContact CZ-OE1 3.46Å; N594-E596 VanDerWaalsContact C-N 3.25Å; N594-E596 PolarHBondContact O-N 2.85Å; N594-E596 PolarHBondContact OD1-N 3.49Å; E596-W598 VanDerWaalsContact C-N 3.35Å; E596-W598 PolarHBondContact O-N 3.22Å; E596-N599 PolarHBondContact O-N 2.73Å; E596-N600 PolarHBondContact O-N 2.69Å |
| 597 | A | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.7 | -41.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F565 F584 C587 V588 N594 N600 L601 | F565-A597 HydrophobicContact CD2-CB 4.3Å; F565-A597 HydrophobicContact CE2-CB 4.39Å; F584-A597 HydrophobicContact CD1-CB 4.4Å; C587-A597 HydrophobicContact CB-CB 3.69Å; V588-A597 HydrophobicContact CG1-CB 3.75Å; N594-A597 HydrophobicContact CB-CB 3.94Å; N594-A597 PolarHBondContact O-N 3.15Å; N594-A597 WeakPolarHBondContact OD1-CB 3.33Å; N594-A597 PolarHBondContact OD1-N 2.87Å; A597-N600 PolarHBondContact O-N 2.98Å; A597-L601 VanDerWaalsContact O-CB 3.27Å; A597-L601 WeakPolarHBondContact O-CB 3.28Å; A597-L601 PolarHBondContact O-N 3.19Å |
| 598 | W | 95.4 | Very high | 92 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.7 | -79.5 | 116.8 | 0 | 0 | 0 | 112.8 | V588 P592 N594 A595 E596 L601 S602 T617 E620 A621 | V588-W598 HydrophobicContact CB-CD2 3.93Å; V588-W598 HydrophobicContact CB-CE3 4.27Å; V588-W598 HydrophobicContact CB-CH2 3.99Å; V588-W598 HydrophobicContact CB-CZ2 3.64Å; V588-W598 HydrophobicContact CB-CZ3 4.29Å; V588-W598 HydrophobicContact CG1-CB 4.41Å; V588-W598 HydrophobicContact CG1-CD2 3.52Å; V588-W598 HydrophobicContact CG1-CE3 3.95Å; V588-W598 HydrophobicContact CG1-CG 3.72Å; V588-W598 HydrophobicContact CG1-CZ2 4.22Å; V588-W598 HydrophobicContact CG1-CZ3 4.43Å; V588-W598 HydrophobicContact CG2-CD2 4.35Å; V588-W598 HydrophobicContact CG2-CE3 4.19Å; V588-W598 HydrophobicContact CG2-CH2 3.65Å; V588-W598 HydrophobicContact CG2-CZ2 3.84Å; V588-W598 HydrophobicContact CG2-CZ3 3.83Å; P592-W598 PolarHBondContact O-NE1 3.28Å; N594-W598 VanDerWaalsContact O-CD1 3.27Å; N594-W598 PolarHBondContact O-N 3.25Å; N594-W598 VanDerWaalsContact O-N 3.08Å; A595-W598 PolarHBondContact O-N 3.33Å; E596-W598 VanDerWaalsContact C-N 3.35Å; E596-W598 PolarHBondContact O-N 3.22Å; W598-L601 HydrophobicContact CE3-CD2 3.91Å; W598-L601 HydrophobicContact CZ3-CD2 3.82Å; W598-L601 PolarHBondContact O-N 3.07Å; W598-S602 PolarHBondContact O-N 3.17Å; W598-T617 HydrophobicContact CE3-CG2 3.94Å; W598-T617 HydrophobicContact CZ3-CG2 3.81Å; W598-E620 HydrophobicContact CD2-CB 3.74Å; W598-E620 HydrophobicContact CE3-CB 4.06Å; W598-E620 HydrophobicContact CG-CB 4.19Å; W598-E620 HydrophobicContact CH2-CB 4.4Å; W598-E620 HydrophobicContact CH2-CG 4.27Å; W598-E620 HydrophobicContact CZ2-CB 4.08Å; W598-E620 HydrophobicContact CZ2-CG 4.26Å; W598-E620 HydrophobicContact CZ3-CB 4.39Å; W598-E620 HydrophobicContact CZ3-CG 4.44Å; W598-A621 HydrophobicContact CB-CB 3.62Å |
| 599 | N | 94.2 | Very high | 92.2 | Very high | 19 Ų | 19 | 49.9 Ų | 49.9 | 10% | 0.102 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.4 | -37.6 | 177.4 | -176.2 | 62.4 | 0 | 0 | 0 | 112.6 | A595 E596 S602 T603 I631 N634 | A595-N599 WeakPolarHBondContact O-CB 3.5Å; A595-N599 PolarHBondContact O-N 3.08Å; E596-N599 PolarHBondContact O-N 2.73Å; N599-S602 PolarHBondContact O-N 3.16Å; N599-S602 PolarHBondContact O-OG 3.31Å; N599-T603 WeakPolarHBondContact O-CB 3.32Å; N599-T603 PolarHBondContact O-N 3.24Å; N599-T603 PolarHBondContact O-OG1 3.23Å; N599-I631 HydrophobicContact CB-CD1 4.46Å; N599-I631 HydrophobicContact CB-CG1 3.98Å; N599-N634 PolarHBondContact OD1-ND2 3.13Å |
| 600 | N | 95.9 | Very high | 92.4 | Very high | 26 Ų | 26 | 48.6 Ų | 48.6 | 14% | 0.139 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.7 | -34.5 | 176.1 | -68.1 | -20.2 | 0 | 0 | 0 | 111.7 | F584 E596 A597 T603 S604 | F584-N600 HydrophobicContact CD1-CB 3.92Å; F584-N600 HydrophobicContact CD2-CB 3.8Å; F584-N600 HydrophobicContact CE1-CB 3.63Å; F584-N600 HydrophobicContact CE2-CB 3.51Å; F584-N600 HydrophobicContact CG-CB 4.01Å; F584-N600 HydrophobicContact CZ-CB 3.41Å; F584-N600 VanDerWaalsContact CZ-CB 3.41Å; E596-N600 PolarHBondContact O-N 2.69Å; A597-N600 PolarHBondContact O-N 2.98Å; N600-T603 PolarHBondContact O-N 3.18Å; N600-S604 PolarHBondContact O-N 3.39Å; N600-S604 PolarHBondContact O-OG 3.37Å |
| 601 | L | 97.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 169.8 | -179.1 | 55.8 | 0 | 0 | 0 | 111.4 | A581 F584 Q585 V588 A597 W598 S604 Y605 T617 | A581-L601 HydrophobicContact CB-CD1 4.05Å; A581-L601 VanDerWaalsContact O-CD1 3.25Å; A581-L601 WeakPolarHBondContact O-CD1 3.43Å; F584-L601 HydrophobicContact CB-CB 3.77Å; F584-L601 HydrophobicContact CB-CD1 4.21Å; Q585-L601 HydrophobicContact CB-CD1 4.44Å; V588-L601 HydrophobicContact CG2-CD2 4.01Å; A597-L601 VanDerWaalsContact O-CB 3.27Å; A597-L601 WeakPolarHBondContact O-CB 3.28Å; A597-L601 PolarHBondContact O-N 3.19Å; W598-L601 HydrophobicContact CE3-CD2 3.91Å; W598-L601 HydrophobicContact CZ3-CD2 3.82Å; W598-L601 PolarHBondContact O-N 3.07Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 2.87Å; L601-Y605 HydrophobicContact CD1-CD2 4.13Å; L601-Y605 HydrophobicContact CD1-CE2 3.55Å; L601-Y605 HydrophobicContact CD2-CE2 4.21Å; L601-Y605 HydrophobicContact CG-CD2 4.07Å; L601-Y605 HydrophobicContact CG-CE2 3.67Å; L601-Y605 WeakPolarHBondContact O-CD2 3.23Å; L601-Y605 PolarHBondContact O-N 3.32Å; L601-T617 HydrophobicContact CD2-CG2 3.94Å; L601-T617 HydrophobicContact CG-CG2 4.13Å |
| 602 | S | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.8 | 77 | 0 | 0 | 0 | 0 | 111.7 | W598 N599 S604 Y605 I606 T617 L618 | W598-S602 PolarHBondContact O-N 3.17Å; N599-S602 PolarHBondContact O-N 3.16Å; N599-S602 PolarHBondContact O-OG 3.31Å; S602-S604 VanDerWaalsContact C-N 3.27Å; S602-S604 PolarHBondContact O-N 2.79Å; S602-Y605 CarbonylContact O-C 3.56Å; S602-Y605 WeakPolarHBondContact O-CA 3.29Å; S602-Y605 PolarHBondContact O-N 3.09Å; S602-I606 WeakPolarHBondContact O-CG1 3.33Å; S602-I606 PolarHBondContact O-N 3.49Å; S602-T617 WeakPolarHBondContact CA-OG1 3.48Å; S602-T617 WeakPolarHBondContact CB-OG1 3.3Å; S602-L618 VanDerWaalsContact OG-CD2 3.24Å; S602-L618 WeakPolarHBondContact OG-CD2 3.42Å; S602-L618 WeakPolarHBondContact OG-CG 3.41Å |
| 603 | T | 95.3 | Very high | 93.6 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 23% | 0.227 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 173.7 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | N599 N600 Y605 I606 R607 | N599-T603 WeakPolarHBondContact O-CB 3.32Å; N599-T603 PolarHBondContact O-N 3.24Å; N599-T603 PolarHBondContact O-OG1 3.23Å; N600-T603 PolarHBondContact O-N 3.18Å; T603-Y605 PolarHBondContact O-N 2.95Å; T603-I606 PolarHBondContact O-N 3.36Å; T603-R607 WeakPolarHBondContact O-CG 3.4Å; T603-R607 PolarHBondContact O-N 3.16Å |
| 604 | S | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 174.9 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | S580 N600 L601 S602 R607 L608 | S580-S604 PolarHBondContact OG-OG 3.28Å; N600-S604 PolarHBondContact O-N 3.39Å; N600-S604 PolarHBondContact O-OG 3.37Å; L601-S604 WeakPolarHBondContact O-CB 3.45Å; L601-S604 PolarHBondContact O-N 2.87Å; S602-S604 VanDerWaalsContact C-N 3.27Å; S602-S604 PolarHBondContact O-N 2.79Å; S604-R607 PolarHBondContact O-N 2.91Å; S604-L608 WeakPolarHBondContact O-CG 3.41Å; S604-L608 PolarHBondContact O-N 3.44Å |
| 605 | Y | 97.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 49.6 Ų | 49.6 | 10% | 0.098 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67 | -34.4 | 176.4 | -73.7 | -47 | 0 | 0 | 0 | 113.9 | A581 L601 S602 T603 R607 L608 K609 Q610 K613 T617 | A581-Y605 HydrophobicContact CB-CE1 4.17Å; L601-Y605 HydrophobicContact CD1-CD2 4.13Å; L601-Y605 HydrophobicContact CD1-CE2 3.55Å; L601-Y605 HydrophobicContact CD2-CE2 4.21Å; L601-Y605 HydrophobicContact CG-CD2 4.07Å; L601-Y605 HydrophobicContact CG-CE2 3.67Å; L601-Y605 WeakPolarHBondContact O-CD2 3.23Å; L601-Y605 PolarHBondContact O-N 3.32Å; S602-Y605 CarbonylContact O-C 3.56Å; S602-Y605 WeakPolarHBondContact O-CA 3.29Å; S602-Y605 PolarHBondContact O-N 3.09Å; T603-Y605 PolarHBondContact O-N 2.95Å; Y605-R607 VanDerWaalsContact C-N 3.34Å; Y605-L608 HydrophobicContact CD1-CD1 4.27Å; Y605-L608 CarbonylContact O-C 3.6Å; Y605-L608 PolarHBondContact O-N 3.27Å; Y605-K609 PolarHBondContact O-N 3.47Å; Y605-Q610 HydrophobicContact CD1-CB 4.1Å; Y605-Q610 PolarHBondContact O-N 3.16Å; Y605-K613 HydrophobicContact CD1-CB 4.11Å; Y605-K613 HydrophobicContact CD1-CD 4.12Å; Y605-K613 HydrophobicContact CD2-CB 3.81Å; Y605-K613 HydrophobicContact CE1-CB 4.36Å; Y605-K613 HydrophobicContact CE1-CD 3.74Å; Y605-K613 HydrophobicContact CE2-CB 4.06Å; Y605-K613 HydrophobicContact CE2-CD 4.43Å; Y605-K613 HydrophobicContact CG-CB 3.84Å; Y605-T617 HydrophobicContact CD2-CG2 4.01Å; Y605-T617 HydrophobicContact CE2-CG2 3.88Å |
| 606 | I | 94.8 | Very high | 95.3 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 32% | 0.318 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 173.7 | -68.1 | 169.5 | 0 | 0 | 0 | 109.4 | S602 T603 L608 K609 A614 T638 | S602-I606 WeakPolarHBondContact O-CG1 3.33Å; S602-I606 PolarHBondContact O-N 3.49Å; T603-I606 PolarHBondContact O-N 3.36Å; I606-L608 PolarHBondContact O-N 3.29Å; I606-K609 WeakPolarHBondContact O-CA 3.36Å; I606-K609 PolarHBondContact O-N 3.12Å; I606-A614 HydrophobicContact CD1-CB 4.48Å; I606-A614 HydrophobicContact CG1-CB 3.56Å; I606-T638 WeakPolarHBondContact CD1-OG1 3.44Å |
| 607 | R | 95.8 | Very high | 95.5 | Very high | 158 Ų | 158 | 50.8 Ų | 50.8 | 60% | 0.596 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.2 | -35.6 | 179.6 | -66 | -72.2 | -174.3 | -161.7 | 1.1 | 112.8 | Y577 T603 S604 Y605 K609 | Y577-R607 HydrophobicContact CD1-CB 3.35Å; Y577-R607 HydrophobicContact CD1-CG 3.71Å; Y577-R607 HydrophobicContact CD2-CB 3.67Å; Y577-R607 HydrophobicContact CE1-CB 3.49Å; Y577-R607 VanDerWaalsContact CE1-CB 3.49Å; Y577-R607 HydrophobicContact CE1-CG 3.41Å; Y577-R607 VanDerWaalsContact CE1-CG 3.41Å; Y577-R607 HydrophobicContact CE2-CB 3.8Å; Y577-R607 HydrophobicContact CE2-CG 4.38Å; Y577-R607 HydrophobicContact CG-CB 3.44Å; Y577-R607 VanDerWaalsContact CG-CB 3.44Å; Y577-R607 HydrophobicContact CG-CG 4.3Å; T603-R607 WeakPolarHBondContact O-CG 3.4Å; T603-R607 PolarHBondContact O-N 3.16Å; S604-R607 PolarHBondContact O-N 2.91Å; Y605-R607 VanDerWaalsContact C-N 3.34Å; R607-K609 PolarHBondContact O-N 3.39Å |
| 608 | L | 96.4 | Very high | 95.5 | Very high | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.5 | 169.6 | -69 | 171.7 | 0 | 0 | 0 | 114.1 | Q578 A581 S604 Y605 I606 Q610 | Q578-L608 HydrophobicContact CB-CD2 4.48Å; A581-L608 HydrophobicContact CB-CD1 4.24Å; S604-L608 WeakPolarHBondContact O-CG 3.41Å; S604-L608 PolarHBondContact O-N 3.44Å; Y605-L608 HydrophobicContact CD1-CD1 4.27Å; Y605-L608 CarbonylContact O-C 3.6Å; Y605-L608 PolarHBondContact O-N 3.27Å; I606-L608 PolarHBondContact O-N 3.29Å; L608-Q610 HydrophobicContact CB-CG 4.1Å; L608-Q610 PolarHBondContact O-N 3.36Å; L608-Q610 VanDerWaalsContact O-N 3.15Å |
| 609 | K | 95.4 | Very high | 95.4 | Very high | 180 Ų | 180 | 52 Ų | 52 | 78% | 0.783 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19.1 | -174.6 | -54.7 | 178.5 | -179.7 | 176.6 | 0 | 113.9 | Y605 I606 R607 K611 | Y605-K609 PolarHBondContact O-N 3.47Å; I606-K609 WeakPolarHBondContact O-CA 3.36Å; I606-K609 PolarHBondContact O-N 3.12Å; R607-K609 PolarHBondContact O-N 3.39Å; K609-K611 PolarHBondContact O-N 3.12Å; K609-K611 VanDerWaalsContact O-N 3.08Å |
| 610 | Q | 95.9 | Very high | 95.3 | Very high | 60 Ų | 60 | 54.1 Ų | 54.1 | 28% | 0.28 | 24% | 0.244 | S | C | . | . | trans | -87.2 | 59.3 | 176 | -63.5 | -177.1 | 28.3 | 0 | 0 | 110.4 | Y605 L608 V612 K613 A614 | Y605-Q610 HydrophobicContact CD1-CB 4.1Å; Y605-Q610 PolarHBondContact O-N 3.16Å; L608-Q610 HydrophobicContact CB-CG 4.1Å; L608-Q610 PolarHBondContact O-N 3.36Å; L608-Q610 VanDerWaalsContact O-N 3.15Å; Q610-V612 VanDerWaalsContact C-N 3.26Å; Q610-V612 PolarHBondContact O-N 2.85Å; Q610-V612 VanDerWaalsContact O-N 3.13Å; Q610-K613 HydrophobicContact CB-CB 4.43Å; Q610-K613 PolarHBondContact O-N 2.82Å; Q610-K613 VanDerWaalsContact OE1-CD 3.3Å; Q610-A614 PolarHBondContact O-N 3.19Å | ||
| 611 | K | 93.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 52.9 Ų | 52.9 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.6 | -36.6 | -169.8 | -57.7 | -173.7 | 174.4 | -160.1 | 0 | 114.2 | K609 K613 A614 F615 D641 V642 | K609-K611 PolarHBondContact O-N 3.12Å; K609-K611 VanDerWaalsContact O-N 3.08Å; K611-K613 PolarHBondContact O-N 3.08Å; K611-A614 WeakPolarHBondContact O-CB 3.4Å; K611-A614 PolarHBondContact O-N 3.19Å; K611-F615 WeakPolarHBondContact O-CB 3.42Å; K611-F615 PolarHBondContact O-N 3.32Å; K611-D641 HydrophobicContact CD-CB 4.06Å; K611-D641 WeakPolarHBondContact CE-OD2 3.27Å; K611-D641 VanDerWaalsContact NZ-CG 3.26Å; K611-D641 IonicContact NZ-OD1 2.94Å; K611-D641 IonicContact NZ-OD2 3.04Å; K611-D641 PolarHBondContact NZ-OD2 3.35Å; K611-V642 HydrophobicContact CB-CG2 3.66Å |
| 612 | V | 93.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 35% | 0.352 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -63.7 | -40.8 | 177.3 | 166.1 | 0 | 0 | 0 | 0 | 112.5 | Q610 R616 | Q610-V612 VanDerWaalsContact C-N 3.26Å; Q610-V612 PolarHBondContact O-N 2.85Å; Q610-V612 VanDerWaalsContact O-N 3.13Å; V612-R616 PolarHBondContact O-N 3.39Å |
| 613 | K | 95.4 | Very high | 94.4 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.6 | -40.6 | 176.9 | -65.8 | -170.9 | -169.8 | 165.9 | 0 | 110.7 | Y605 Q610 K611 F615 R616 T617 | Y605-K613 HydrophobicContact CD1-CB 4.11Å; Y605-K613 HydrophobicContact CD1-CD 4.12Å; Y605-K613 HydrophobicContact CD2-CB 3.81Å; Y605-K613 HydrophobicContact CE1-CB 4.36Å; Y605-K613 HydrophobicContact CE1-CD 3.74Å; Y605-K613 HydrophobicContact CE2-CB 4.06Å; Y605-K613 HydrophobicContact CE2-CD 4.43Å; Y605-K613 HydrophobicContact CG-CB 3.84Å; Q610-K613 HydrophobicContact CB-CB 4.43Å; Q610-K613 PolarHBondContact O-N 2.82Å; Q610-K613 VanDerWaalsContact OE1-CD 3.3Å; K611-K613 PolarHBondContact O-N 3.08Å; K613-F615 VanDerWaalsContact C-N 3.31Å; K613-F615 PolarHBondContact O-N 3.08Å; K613-R616 PolarHBondContact O-N 3.42Å; K613-T617 WeakPolarHBondContact O-CG2 3.48Å; K613-T617 PolarHBondContact O-N 3.07Å; K613-T617 PolarHBondContact O-OG1 3.17Å |
| 614 | A | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.3 | -46.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I606 Q610 K611 R616 T617 L618 T638 | I606-A614 HydrophobicContact CD1-CB 4.48Å; I606-A614 HydrophobicContact CG1-CB 3.56Å; Q610-A614 PolarHBondContact O-N 3.19Å; K611-A614 WeakPolarHBondContact O-CB 3.4Å; K611-A614 PolarHBondContact O-N 3.19Å; A614-R616 PolarHBondContact O-N 2.94Å; A614-T617 WeakPolarHBondContact CA-OG1 3.34Å; A614-T617 PolarHBondContact O-N 3.22Å; A614-T617 PolarHBondContact O-OG1 3.37Å; A614-L618 WeakPolarHBondContact O-CD1 3.34Å; A614-L618 WeakPolarHBondContact O-CG 2.98Å; A614-L618 PolarHBondContact O-N 3.11Å; A614-T638 HydrophobicContact CB-CG2 3.88Å |
| 615 | F | 95.4 | Very high | 93 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 4% | 0.039 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 176.7 | 175.4 | -104.5 | 0 | 0 | 0 | 112.2 | K611 K613 T617 L618 Q619 Y635 T638 V642 E644 E647 | K611-F615 WeakPolarHBondContact O-CB 3.42Å; K611-F615 PolarHBondContact O-N 3.32Å; K613-F615 VanDerWaalsContact C-N 3.31Å; K613-F615 PolarHBondContact O-N 3.08Å; F615-T617 PolarHBondContact O-N 3.26Å; F615-L618 PolarHBondContact O-N 2.97Å; F615-Q619 HydrophobicContact CE1-CG 4.38Å; F615-Q619 HydrophobicContact CZ-CG 4.3Å; F615-Q619 WeakPolarHBondContact O-CG 3.4Å; F615-Q619 PolarHBondContact O-N 3.18Å; F615-Q619 VanDerWaalsContact O-N 3.08Å; F615-Y635 HydrophobicContact CD2-CD2 4.28Å; F615-Y635 AromaticContact CD2-CE2 3.73Å; F615-Y635 HydrophobicContact CD2-CE2 3.73Å; F615-Y635 HydrophobicContact CE2-CD2 4.27Å; F615-Y635 AromaticContact CE2-CE2 3.36Å; F615-Y635 HydrophobicContact CE2-CE2 3.36Å; F615-Y635 AromaticContact CE2-CZ 3.65Å; F615-Y635 HydrophobicContact CZ-CE2 4.14Å; F615-T638 HydrophobicContact CB-CG2 4Å; F615-V642 HydrophobicContact CB-CG2 4.3Å; F615-E644 HydrophobicContact CE1-CG 4.13Å; F615-E644 HydrophobicContact CE2-CB 4.14Å; F615-E644 HydrophobicContact CE2-CG 4.21Å; F615-E644 HydrophobicContact CZ-CB 4.15Å; F615-E644 HydrophobicContact CZ-CG 3.89Å; F615-E647 HydrophobicContact CE2-CB 4.37Å; F615-E647 HydrophobicContact CZ-CG 4.22Å |
| 616 | R | 94.6 | Very high | 92.4 | Very high | 146 Ų | 146 | 67.8 Ų | 67.8 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.7 | -41.4 | 178.9 | -70.8 | 179.8 | 178.7 | 172 | 0.1 | 112.7 | V612 K613 A614 Q619 E620 | V612-R616 PolarHBondContact O-N 3.39Å; K613-R616 PolarHBondContact O-N 3.42Å; A614-R616 PolarHBondContact O-N 2.94Å; R616-Q619 WeakPolarHBondContact O-CB 3.03Å; R616-Q619 PolarHBondContact O-N 3.38Å; R616-E620 PolarHBondContact O-N 3.02Å |
| 617 | T | 94.9 | Very high | 92 | Very high | 12 Ų | 12 | 70.4 Ų | 70.4 | 7% | 0.074 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.3 | -33.4 | 179.4 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | W598 L601 S602 Y605 K613 A614 F615 Q619 E620 A621 | W598-T617 HydrophobicContact CE3-CG2 3.94Å; W598-T617 HydrophobicContact CZ3-CG2 3.81Å; L601-T617 HydrophobicContact CD2-CG2 3.94Å; L601-T617 HydrophobicContact CG-CG2 4.13Å; S602-T617 WeakPolarHBondContact CA-OG1 3.48Å; S602-T617 WeakPolarHBondContact CB-OG1 3.3Å; Y605-T617 HydrophobicContact CD2-CG2 4.01Å; Y605-T617 HydrophobicContact CE2-CG2 3.88Å; K613-T617 WeakPolarHBondContact O-CG2 3.48Å; K613-T617 PolarHBondContact O-N 3.07Å; K613-T617 PolarHBondContact O-OG1 3.17Å; A614-T617 WeakPolarHBondContact CA-OG1 3.34Å; A614-T617 PolarHBondContact O-N 3.22Å; A614-T617 PolarHBondContact O-OG1 3.37Å; F615-T617 PolarHBondContact O-N 3.26Å; T617-Q619 VanDerWaalsContact C-N 3.34Å; T617-E620 PolarHBondContact O-N 3.15Å; T617-A621 PolarHBondContact O-N 2.93Å |
| 618 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67 | -33.6 | 170.4 | -73.9 | 159.1 | 0 | 0 | 0 | 112.6 | S602 A614 F615 E620 A621 L622 I631 N634 Y635 T638 | S602-L618 VanDerWaalsContact OG-CD2 3.24Å; S602-L618 WeakPolarHBondContact OG-CD2 3.42Å; S602-L618 WeakPolarHBondContact OG-CG 3.41Å; A614-L618 WeakPolarHBondContact O-CD1 3.34Å; A614-L618 WeakPolarHBondContact O-CG 2.98Å; A614-L618 PolarHBondContact O-N 3.11Å; F615-L618 PolarHBondContact O-N 2.97Å; L618-E620 VanDerWaalsContact C-N 3.33Å; L618-A621 WeakPolarHBondContact O-CB 3.41Å; L618-A621 PolarHBondContact O-N 3.15Å; L618-L622 WeakPolarHBondContact O-CB 3.39Å; L618-L622 WeakPolarHBondContact O-CG 3.35Å; L618-L622 PolarHBondContact O-N 3.46Å; L618-I631 HydrophobicContact CD2-CG2 3.98Å; L618-N634 HydrophobicContact CD1-CB 4.11Å; L618-N634 HydrophobicContact CD2-CB 3.66Å; L618-Y635 HydrophobicContact CB-CD2 3.7Å; L618-T638 HydrophobicContact CD1-CG2 4.28Å; L618-T638 WeakPolarHBondContact CD1-OG1 3.29Å |
| 619 | Q | 93.8 | Very high | 91.3 | Very high | 65 Ų | 65 | 68.1 Ų | 68.1 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 172.9 | -66.9 | -178.8 | -58.7 | 0 | 0 | 111.4 | F615 R616 T617 L622 K623 Y635 | F615-Q619 HydrophobicContact CE1-CG 4.38Å; F615-Q619 HydrophobicContact CZ-CG 4.3Å; F615-Q619 WeakPolarHBondContact O-CG 3.4Å; F615-Q619 PolarHBondContact O-N 3.18Å; F615-Q619 VanDerWaalsContact O-N 3.08Å; R616-Q619 WeakPolarHBondContact O-CB 3.03Å; R616-Q619 PolarHBondContact O-N 3.38Å; T617-Q619 VanDerWaalsContact C-N 3.34Å; Q619-L622 PolarHBondContact O-N 3.21Å; Q619-K623 WeakPolarHBondContact O-CG 3.41Å; Q619-K623 PolarHBondContact O-N 3.29Å; Q619-K623 VanDerWaalsContact O-N 3.15Å; Q619-Y635 HydrophobicContact CG-CE2 3.61Å |
| 620 | E | 91.7 | Very high | 91.1 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 173.9 | -58.9 | -52.3 | 140.7 | 0 | 0 | 111.2 | W598 R616 T617 L618 L622 K623 C624 | W598-E620 HydrophobicContact CD2-CB 3.74Å; W598-E620 HydrophobicContact CE3-CB 4.06Å; W598-E620 HydrophobicContact CG-CB 4.19Å; W598-E620 HydrophobicContact CH2-CB 4.4Å; W598-E620 HydrophobicContact CH2-CG 4.27Å; W598-E620 HydrophobicContact CZ2-CB 4.08Å; W598-E620 HydrophobicContact CZ2-CG 4.26Å; W598-E620 HydrophobicContact CZ3-CB 4.39Å; W598-E620 HydrophobicContact CZ3-CG 4.44Å; R616-E620 PolarHBondContact O-N 3.02Å; T617-E620 PolarHBondContact O-N 3.15Å; L618-E620 VanDerWaalsContact C-N 3.33Å; E620-L622 VanDerWaalsContact C-N 3.26Å; E620-L622 PolarHBondContact O-N 2.97Å; E620-K623 WeakPolarHBondContact O-CB 3.5Å; E620-K623 PolarHBondContact O-N 2.99Å; E620-K623 IonicContact OE1-NZ 3.13Å; E620-K623 PolarHBondContact OE1-NZ 3.4Å; E620-K623 WeakPolarHBondContact OE2-CD 3.24Å; E620-K623 IonicContact OE2-NZ 2.83Å; E620-K623 PolarHBondContact OE2-NZ 3.37Å; E620-C624 PolarHBondContact O-N 3.43Å; E620-C624 VanDerWaalsContact O-N 3.13Å; E620-C624 PolarHBondContact O-SG 3.37Å |
| 621 | A | 91.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.6 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W598 T617 L618 C624 N625 I631 | W598-A621 HydrophobicContact CB-CB 3.62Å; T617-A621 PolarHBondContact O-N 2.93Å; L618-A621 WeakPolarHBondContact O-CB 3.41Å; L618-A621 PolarHBondContact O-N 3.15Å; A621-C624 PolarHBondContact O-N 3.43Å; A621-N625 PolarHBondContact O-N 2.99Å; A621-I631 HydrophobicContact CB-CD1 4.12Å; A621-I631 HydrophobicContact CB-CG1 4.45Å; A621-I631 HydrophobicContact CB-CG2 3.76Å |
| 622 | L | 90.3 | Very high | 91 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.5 | -28.2 | 178.3 | -74 | 176 | 0 | 0 | 0 | 113.8 | L618 Q619 E620 C624 N625 Y626 I631 W632 Y635 | L618-L622 WeakPolarHBondContact O-CB 3.39Å; L618-L622 WeakPolarHBondContact O-CG 3.35Å; L618-L622 PolarHBondContact O-N 3.46Å; Q619-L622 PolarHBondContact O-N 3.21Å; E620-L622 VanDerWaalsContact C-N 3.26Å; E620-L622 PolarHBondContact O-N 2.97Å; L622-C624 VanDerWaalsContact C-N 3.33Å; L622-N625 CarbonylContact O-C 3.57Å; L622-Y626 WeakPolarHBondContact O-CA 3.4Å; L622-Y626 PolarHBondContact O-N 3.48Å; L622-I631 HydrophobicContact CD2-CB 3.99Å; L622-I631 HydrophobicContact CD2-CG2 3.4Å; L622-I631 HydrophobicContact CG-CG2 3.57Å; L622-W632 HydrophobicContact CD1-CD2 4.15Å; L622-W632 HydrophobicContact CD1-CE3 3.87Å; L622-W632 HydrophobicContact CD1-CH2 3.76Å; L622-W632 HydrophobicContact CD1-CZ2 4.01Å; L622-W632 HydrophobicContact CD1-CZ3 3.69Å; L622-W632 HydrophobicContact CD2-CD2 3.64Å; L622-W632 HydrophobicContact CD2-CE3 4.23Å; L622-W632 HydrophobicContact CD2-CG 3.9Å; L622-W632 HydrophobicContact CD2-CH2 4.33Å; L622-W632 HydrophobicContact CD2-CZ2 3.71Å; L622-W632 HydrophobicContact CG-CZ2 4.35Å; L622-Y635 HydrophobicContact CD1-CD1 3.68Å; L622-Y635 HydrophobicContact CD1-CD2 3.93Å; L622-Y635 HydrophobicContact CD1-CE1 4.08Å; L622-Y635 HydrophobicContact CD1-CE2 4.3Å; L622-Y635 HydrophobicContact CD1-CG 3.59Å |
| 623 | K | 87.8 | Confident | 91 | Very high | 144 Ų | 144 | 57.6 Ų | 57.6 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67.4 | -38.8 | 170.9 | -69.8 | 173.6 | -167.2 | 167.1 | 0 | 110.8 | Q619 E620 | Q619-K623 WeakPolarHBondContact O-CG 3.41Å; Q619-K623 PolarHBondContact O-N 3.29Å; Q619-K623 VanDerWaalsContact O-N 3.15Å; E620-K623 WeakPolarHBondContact O-CB 3.5Å; E620-K623 PolarHBondContact O-N 2.99Å; E620-K623 IonicContact OE1-NZ 3.13Å; E620-K623 PolarHBondContact OE1-NZ 3.4Å; E620-K623 WeakPolarHBondContact OE2-CD 3.24Å; E620-K623 IonicContact OE2-NZ 2.83Å; E620-K623 PolarHBondContact OE2-NZ 3.37Å |
| 624 | C | 80.7 | Confident | 90.9 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 28% | 0.284 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -74.1 | -40.7 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112.2 | D593 A595 E620 A621 L622 | D593-C624 WeakPolarHBondContact O-CB 3.4Å; A595-C624 HydrophobicContact CB-CB 3.64Å; E620-C624 PolarHBondContact O-N 3.43Å; E620-C624 VanDerWaalsContact O-N 3.13Å; E620-C624 PolarHBondContact O-SG 3.37Å; A621-C624 PolarHBondContact O-N 3.43Å; L622-C624 VanDerWaalsContact C-N 3.33Å |
| 625 | N | 82.3 | Confident | 90.9 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | trans | -141.4 | 93.6 | 177.6 | -167.3 | -19.6 | 0 | 0 | 0 | 112.4 | A595 A621 L622 E627 H628 I631 | A595-N625 HydrophobicContact CB-CB 3.52Å; A621-N625 PolarHBondContact O-N 2.99Å; L622-N625 CarbonylContact O-C 3.57Å; N625-E627 VanDerWaalsContact C-N 3.35Å; N625-E627 PolarHBondContact O-N 2.69Å; N625-E627 PolarHBondContact OD1-N 2.71Å; N625-H628 HydrophobicContact CB-CB 4.38Å; N625-H628 PolarHBondContact OD1-N 3.29Å; N625-I631 HydrophobicContact CB-CD1 4.43Å | ||
| 626 | Y | 86.1 | Confident | 90.9 | Very high | 121 Ų | 121 | 54.5 Ų | 54.5 | 48% | 0.475 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -19.3 | -177.1 | -169.7 | -98 | 0 | 0 | 0 | 114.1 | L622 W632 R654 | L622-Y626 WeakPolarHBondContact O-CA 3.4Å; L622-Y626 PolarHBondContact O-N 3.48Å; Y626-W632 AromaticContact CD2-CZ2 3.68Å; Y626-W632 HydrophobicContact CD2-CZ2 3.68Å; Y626-W632 HydrophobicContact CE1-CZ2 4.49Å; Y626-W632 AromaticContact CE2-CH2 3.85Å; Y626-W632 HydrophobicContact CE2-CH2 3.85Å; Y626-W632 AromaticContact CE2-CZ2 3.32Å; Y626-W632 HydrophobicContact CE2-CZ2 3.32Å; Y626-W632 HydrophobicContact CG-CZ2 4.4Å; Y626-W632 AromaticContact CZ-CZ2 3.73Å; Y626-W632 PolarHBondContact O-NE1 3.45Å; Y626-R654 VanDerWaalsContact CD1-NH2 3.31Å; Y626-R654 VanDerWaalsContact CE1-CZ 3.41Å |
| 627 | E | 87 | Confident | 90.9 | Very high | 117 Ų | 117 | 51.1 Ų | 51.1 | 55% | 0.547 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -12.3 | -175.7 | -61.9 | -59.3 | 140.4 | 0 | 0 | 112.8 | N625 W629 R654 | N625-E627 VanDerWaalsContact C-N 3.35Å; N625-E627 PolarHBondContact O-N 2.69Å; N625-E627 PolarHBondContact OD1-N 2.71Å; E627-W629 PolarHBondContact O-N 3.37Å; E627-R654 IonicContact OE1-CZ 2.68Å; E627-R654 IonicContact OE1-NH2 2.77Å; E627-R654 PolarHBondContact OE1-NH2 3.21Å; E627-R654 IonicContact OE2-CZ 3.72Å; E627-R654 IonicContact OE2-NH2 2.72Å; E627-R654 PolarHBondContact OE2-NH2 2.93Å |
| 628 | H | 86.5 | Confident | 90.9 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.296 | 24% | 0.236 | S | C | . | . | trans | -80.7 | 107.9 | -174.9 | -164.9 | 81.1 | 0 | 0 | 0 | 112.2 | N625 Q630 I631 | N625-H628 HydrophobicContact CB-CB 4.38Å; N625-H628 PolarHBondContact OD1-N 3.29Å; H628-Q630 VanDerWaalsContact C-N 3.33Å; H628-Q630 PolarHBondContact CE1-OE1 3.45Å; H628-Q630 VanDerWaalsContact NE2-CD 3.34Å; H628-Q630 PolarHBondContact NE2-OE1 3.42Å; H628-Q630 PolarHBondContact O-N 3.18Å; H628-I631 HydrophobicContact CB-CD1 4.08Å; H628-I631 PolarHBondContact O-N 3.44Å | ||
| 629 | W | 90.8 | Very high | 91 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 35% | 0.348 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.4 | -30.3 | -172.3 | 71 | -90.4 | 0 | 0 | 0 | 114.2 | E627 I631 W632 E633 L655 L658 R659 | E627-W629 PolarHBondContact O-N 3.37Å; W629-I631 VanDerWaalsContact C-N 3.31Å; W629-I631 PolarHBondContact O-N 2.88Å; W629-W632 WeakPolarHBondContact O-CB 3.27Å; W629-W632 PolarHBondContact O-N 3.31Å; W629-E633 WeakPolarHBondContact CZ3-OE2 3.37Å; W629-E633 PolarHBondContact O-N 3.45Å; W629-L655 HydrophobicContact CB-CD2 4.46Å; W629-L658 HydrophobicContact CB-CB 4.2Å; W629-L658 HydrophobicContact CB-CD1 4.08Å; W629-R659 HydrophobicContact CB-CG 4.43Å |
| 630 | Q | 90.9 | Very high | 90.9 | Very high | 78 Ų | 78 | 48.2 Ų | 48.2 | 36% | 0.364 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -33 | 179.2 | -68.1 | 126.8 | -76 | 0 | 0 | 112.5 | H628 E633 N634 | H628-Q630 VanDerWaalsContact C-N 3.33Å; H628-Q630 PolarHBondContact CE1-OE1 3.45Å; H628-Q630 VanDerWaalsContact NE2-CD 3.34Å; H628-Q630 PolarHBondContact NE2-OE1 3.42Å; H628-Q630 PolarHBondContact O-N 3.18Å; Q630-E633 PolarHBondContact O-N 2.76Å; Q630-N634 PolarHBondContact O-N 2.66Å; Q630-N634 VanDerWaalsContact O-N 3.12Å |
| 631 | I | 92.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.5 | -41.7 | 175 | -65.5 | 165.1 | 0 | 0 | 0 | 109.4 | A595 N599 L618 A621 L622 N625 H628 W629 E633 N634 Y635 | A595-I631 HydrophobicContact CB-CD1 4.34Å; N599-I631 HydrophobicContact CB-CD1 4.46Å; N599-I631 HydrophobicContact CB-CG1 3.98Å; L618-I631 HydrophobicContact CD2-CG2 3.98Å; A621-I631 HydrophobicContact CB-CD1 4.12Å; A621-I631 HydrophobicContact CB-CG1 4.45Å; A621-I631 HydrophobicContact CB-CG2 3.76Å; L622-I631 HydrophobicContact CD2-CB 3.99Å; L622-I631 HydrophobicContact CD2-CG2 3.4Å; L622-I631 HydrophobicContact CG-CG2 3.57Å; N625-I631 HydrophobicContact CB-CD1 4.43Å; H628-I631 HydrophobicContact CB-CD1 4.08Å; H628-I631 PolarHBondContact O-N 3.44Å; W629-I631 VanDerWaalsContact C-N 3.31Å; W629-I631 PolarHBondContact O-N 2.88Å; I631-E633 VanDerWaalsContact C-N 3.3Å; I631-E633 PolarHBondContact O-N 2.89Å; I631-N634 PolarHBondContact O-N 2.75Å; I631-Y635 VanDerWaalsContact O-CB 3.31Å; I631-Y635 WeakPolarHBondContact O-CB 3.26Å; I631-Y635 PolarHBondContact O-N 3.06Å |
| 632 | W | 95.1 | Very high | 91 | Very high | 15 Ų | 15 | 51 Ų | 51 | 6% | 0.057 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -36.4 | 175.5 | -76.1 | 105.4 | 0 | 0 | 0 | 113.1 | L622 Y626 W629 Y635 I636 A651 R654 L655 L658 | L622-W632 HydrophobicContact CD1-CD2 4.15Å; L622-W632 HydrophobicContact CD1-CE3 3.87Å; L622-W632 HydrophobicContact CD1-CH2 3.76Å; L622-W632 HydrophobicContact CD1-CZ2 4.01Å; L622-W632 HydrophobicContact CD1-CZ3 3.69Å; L622-W632 HydrophobicContact CD2-CD2 3.64Å; L622-W632 HydrophobicContact CD2-CE3 4.23Å; L622-W632 HydrophobicContact CD2-CG 3.9Å; L622-W632 HydrophobicContact CD2-CH2 4.33Å; L622-W632 HydrophobicContact CD2-CZ2 3.71Å; L622-W632 HydrophobicContact CG-CZ2 4.35Å; Y626-W632 AromaticContact CD2-CZ2 3.68Å; Y626-W632 HydrophobicContact CD2-CZ2 3.68Å; Y626-W632 HydrophobicContact CE1-CZ2 4.49Å; Y626-W632 AromaticContact CE2-CH2 3.85Å; Y626-W632 HydrophobicContact CE2-CH2 3.85Å; Y626-W632 AromaticContact CE2-CZ2 3.32Å; Y626-W632 HydrophobicContact CE2-CZ2 3.32Å; Y626-W632 HydrophobicContact CG-CZ2 4.4Å; Y626-W632 AromaticContact CZ-CZ2 3.73Å; Y626-W632 PolarHBondContact O-NE1 3.45Å; W629-W632 WeakPolarHBondContact O-CB 3.27Å; W629-W632 PolarHBondContact O-N 3.31Å; W632-Y635 AromaticContact CE3-CD1 3.93Å; W632-Y635 HydrophobicContact CE3-CD1 3.93Å; W632-Y635 AromaticContact CZ3-CD1 3.81Å; W632-Y635 HydrophobicContact CZ3-CD1 3.81Å; W632-Y635 HydrophobicContact CZ3-CE1 4.07Å; W632-Y635 PolarHBondContact O-N 3.37Å; W632-I636 WeakPolarHBondContact O-CG2 3.21Å; W632-I636 PolarHBondContact O-N 3.44Å; W632-A651 HydrophobicContact CE3-CB 3.76Å; W632-A651 HydrophobicContact CZ3-CB 4Å; W632-R654 HydrophobicContact CD2-CB 4.11Å; W632-R654 HydrophobicContact CD2-CG 3.78Å; W632-R654 VanDerWaalsContact CE2-CG 3.42Å; W632-R654 HydrophobicContact CE3-CB 4.2Å; W632-R654 HydrophobicContact CE3-CG 4.33Å; W632-R654 HydrophobicContact CG-CG 4.23Å; W632-R654 HydrophobicContact CH2-CB 4.43Å; W632-R654 HydrophobicContact CH2-CG 4.26Å; W632-R654 HydrophobicContact CZ2-CB 4.35Å; W632-R654 HydrophobicContact CZ2-CG 3.71Å; W632-R654 HydrophobicContact CZ3-CB 4.35Å; W632-L655 HydrophobicContact CB-CD1 4.29Å; W632-L655 HydrophobicContact CB-CD2 3.52Å; W632-L655 HydrophobicContact CB-CG 3.74Å; W632-L658 VanDerWaalsContact CD1-CD1 3.49Å; W632-L658 HydrophobicContact CG-CD1 4.33Å |
| 633 | E | 93.2 | Very high | 91.1 | Very high | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 175.9 | -167.8 | 170.1 | -112.6 | 0 | 0 | 111.3 | W629 Q630 I631 Y635 I636 L637 R659 | W629-E633 WeakPolarHBondContact CZ3-OE2 3.37Å; W629-E633 PolarHBondContact O-N 3.45Å; Q630-E633 PolarHBondContact O-N 2.76Å; I631-E633 VanDerWaalsContact C-N 3.3Å; I631-E633 PolarHBondContact O-N 2.89Å; E633-Y635 VanDerWaalsContact C-N 3.31Å; E633-Y635 PolarHBondContact O-N 3.19Å; E633-I636 VanDerWaalsContact O-CG2 3.27Å; E633-I636 WeakPolarHBondContact O-CG2 3.49Å; E633-L637 VanDerWaalsContact O-CG 3.32Å; E633-L637 WeakPolarHBondContact O-CG 3.32Å; E633-L637 PolarHBondContact O-N 3.36Å; E633-R659 IonicContact OE1-NH1 2.99Å |
| 634 | N | 94 | Very high | 91.3 | Very high | 39 Ų | 39 | 45.5 Ų | 45.5 | 21% | 0.209 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.6 | -38.2 | 172.1 | -72.6 | -23.9 | 0 | 0 | 0 | 112 | N599 L618 Q630 I631 T638 | N599-N634 PolarHBondContact OD1-ND2 3.13Å; L618-N634 HydrophobicContact CD1-CB 4.11Å; L618-N634 HydrophobicContact CD2-CB 3.66Å; Q630-N634 PolarHBondContact O-N 2.66Å; Q630-N634 VanDerWaalsContact O-N 3.12Å; I631-N634 PolarHBondContact O-N 2.75Å; N634-T638 VanDerWaalsContact O-CB 3.29Å; N634-T638 WeakPolarHBondContact O-CB 3.46Å; N634-T638 PolarHBondContact O-N 2.83Å; N634-T638 PolarHBondContact O-OG1 3.16Å |
| 635 | Y | 96 | Very high | 92 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 2% | 0.02 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -43.7 | -179.3 | -173.4 | -112.2 | 0 | 0 | 0 | 112.8 | F615 L618 Q619 L622 I631 W632 E633 T638 S639 E647 A651 | F615-Y635 HydrophobicContact CD2-CD2 4.28Å; F615-Y635 AromaticContact CD2-CE2 3.73Å; F615-Y635 HydrophobicContact CD2-CE2 3.73Å; F615-Y635 HydrophobicContact CE2-CD2 4.27Å; F615-Y635 AromaticContact CE2-CE2 3.36Å; F615-Y635 HydrophobicContact CE2-CE2 3.36Å; F615-Y635 AromaticContact CE2-CZ 3.65Å; F615-Y635 HydrophobicContact CZ-CE2 4.14Å; L618-Y635 HydrophobicContact CB-CD2 3.7Å; Q619-Y635 HydrophobicContact CG-CE2 3.61Å; L622-Y635 HydrophobicContact CD1-CD1 3.68Å; L622-Y635 HydrophobicContact CD1-CD2 3.93Å; L622-Y635 HydrophobicContact CD1-CE1 4.08Å; L622-Y635 HydrophobicContact CD1-CE2 4.3Å; L622-Y635 HydrophobicContact CD1-CG 3.59Å; I631-Y635 VanDerWaalsContact O-CB 3.31Å; I631-Y635 WeakPolarHBondContact O-CB 3.26Å; I631-Y635 PolarHBondContact O-N 3.06Å; W632-Y635 AromaticContact CE3-CD1 3.93Å; W632-Y635 HydrophobicContact CE3-CD1 3.93Å; W632-Y635 AromaticContact CZ3-CD1 3.81Å; W632-Y635 HydrophobicContact CZ3-CD1 3.81Å; W632-Y635 HydrophobicContact CZ3-CE1 4.07Å; W632-Y635 PolarHBondContact O-N 3.37Å; E633-Y635 VanDerWaalsContact C-N 3.31Å; E633-Y635 PolarHBondContact O-N 3.19Å; Y635-T638 PolarHBondContact O-N 3.28Å; Y635-S639 WeakPolarHBondContact O-CB 3.4Å; Y635-S639 PolarHBondContact O-N 2.52Å; Y635-S639 PolarHBondContact O-OG 3.42Å; Y635-E647 HydrophobicContact CE1-CB 4.12Å; Y635-E647 PolarHBondContact OH-OE2 3.18Å; Y635-A651 HydrophobicContact CD1-CB 3.76Å; Y635-A651 HydrophobicContact CE1-CB 4.28Å |
| 636 | I | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.7 | -40.9 | 179.7 | -168.1 | 171.8 | 0 | 0 | 0 | 112 | W632 E633 S639 T640 A648 A651 Y652 L655 V667 | W632-I636 WeakPolarHBondContact O-CG2 3.21Å; W632-I636 PolarHBondContact O-N 3.44Å; E633-I636 VanDerWaalsContact O-CG2 3.27Å; E633-I636 WeakPolarHBondContact O-CG2 3.49Å; I636-S639 WeakPolarHBondContact CA-OG 3.49Å; I636-S639 PolarHBondContact O-OG 3.06Å; I636-S639 VanDerWaalsContact O-OG 3.07Å; I636-T640 VanDerWaalsContact O-CB 3.26Å; I636-T640 WeakPolarHBondContact O-CB 3.48Å; I636-T640 PolarHBondContact O-N 3.47Å; I636-T640 PolarHBondContact O-OG1 3.32Å; I636-A648 HydrophobicContact CG1-CB 4.36Å; I636-A651 HydrophobicContact CB-CB 3.77Å; I636-A651 HydrophobicContact CD1-CB 4.4Å; I636-A651 HydrophobicContact CG1-CB 4.08Å; I636-Y652 HydrophobicContact CD1-CD2 3.44Å; I636-Y652 VanDerWaalsContact CD1-CD2 3.44Å; I636-Y652 HydrophobicContact CD1-CE2 4.4Å; I636-Y652 HydrophobicContact CD1-CG 3.82Å; I636-L655 HydrophobicContact CB-CD1 4.22Å; I636-L655 HydrophobicContact CD1-CD1 4.3Å; I636-L655 HydrophobicContact CG2-CD1 3.68Å; I636-V667 HydrophobicContact CD1-CG1 3.81Å; I636-V667 HydrophobicContact CG1-CG1 3.97Å |
| 637 | L | 94.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 38.6 Ų | 38.6 | 40% | 0.398 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65.2 | -48.2 | 177.5 | -66.2 | 175.2 | 0 | 0 | 0 | 110.3 | E633 T640 D641 V667 | E633-L637 VanDerWaalsContact O-CG 3.32Å; E633-L637 WeakPolarHBondContact O-CG 3.32Å; E633-L637 PolarHBondContact O-N 3.36Å; L637-T640 PolarHBondContact O-N 2.76Å; L637-D641 WeakPolarHBondContact O-CB 3.4Å; L637-D641 PolarHBondContact O-N 3.27Å; L637-V667 HydrophobicContact CD2-CG2 4.05Å |
| 638 | T | 94.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.6 | -40.8 | -179 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | I606 A614 F615 L618 N634 Y635 D641 V642 | I606-T638 WeakPolarHBondContact CD1-OG1 3.44Å; A614-T638 HydrophobicContact CB-CG2 3.88Å; F615-T638 HydrophobicContact CB-CG2 4Å; L618-T638 HydrophobicContact CD1-CG2 4.28Å; L618-T638 WeakPolarHBondContact CD1-OG1 3.29Å; N634-T638 VanDerWaalsContact O-CB 3.29Å; N634-T638 WeakPolarHBondContact O-CB 3.46Å; N634-T638 PolarHBondContact O-N 2.83Å; N634-T638 PolarHBondContact O-OG1 3.16Å; Y635-T638 PolarHBondContact O-N 3.28Å; T638-D641 PolarHBondContact O-N 3.5Å; T638-V642 HydrophobicContact CG2-CG2 4.34Å; T638-V642 WeakPolarHBondContact O-CB 3.4Å; T638-V642 VanDerWaalsContact O-CG2 3.23Å; T638-V642 WeakPolarHBondContact O-CG2 3.49Å; T638-V642 PolarHBondContact O-N 2.89Å |
| 639 | S | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.9 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | Y635 I636 D641 V642 G643 E644 A648 | Y635-S639 WeakPolarHBondContact O-CB 3.4Å; Y635-S639 PolarHBondContact O-N 2.52Å; Y635-S639 PolarHBondContact O-OG 3.42Å; I636-S639 WeakPolarHBondContact CA-OG 3.49Å; I636-S639 PolarHBondContact O-OG 3.06Å; I636-S639 VanDerWaalsContact O-OG 3.07Å; S639-D641 VanDerWaalsContact C-N 3.34Å; S639-D641 PolarHBondContact O-N 2.89Å; S639-V642 PolarHBondContact O-N 3.25Å; S639-G643 PolarHBondContact O-N 2.95Å; S639-E644 PolarHBondContact O-N 3.32Å; S639-A648 WeakPolarHBondContact OG-CA 3.09Å; S639-A648 WeakPolarHBondContact OG-CB 3.33Å |
| 640 | T | 93.6 | Very high | 93.9 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.8 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | I636 L637 V642 G643 A648 I670 | I636-T640 VanDerWaalsContact O-CB 3.26Å; I636-T640 WeakPolarHBondContact O-CB 3.48Å; I636-T640 PolarHBondContact O-N 3.47Å; I636-T640 PolarHBondContact O-OG1 3.32Å; L637-T640 PolarHBondContact O-N 2.76Å; T640-V642 PolarHBondContact O-N 3.25Å; T640-G643 PolarHBondContact O-N 3.42Å; T640-A648 WeakPolarHBondContact OG1-CB 3.36Å; T640-I670 HydrophobicContact CG2-CB 3.91Å; T640-I670 HydrophobicContact CG2-CD1 3.82Å; T640-I670 HydrophobicContact CG2-CG1 4.48Å; T640-I670 HydrophobicContact CG2-CG2 3.52Å |
| 641 | D | 91.5 | Very high | 94.2 | Very high | 96 Ų | 96 | 27 Ų | 27 | 51% | 0.513 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.8 | -30.9 | 178.5 | -96.3 | 10.9 | 0 | 0 | 0 | 114.6 | K611 L637 T638 S639 | K611-D641 HydrophobicContact CD-CB 4.06Å; K611-D641 WeakPolarHBondContact CE-OD2 3.27Å; K611-D641 VanDerWaalsContact NZ-CG 3.26Å; K611-D641 IonicContact NZ-OD1 2.94Å; K611-D641 IonicContact NZ-OD2 3.04Å; K611-D641 PolarHBondContact NZ-OD2 3.35Å; L637-D641 WeakPolarHBondContact O-CB 3.4Å; L637-D641 PolarHBondContact O-N 3.27Å; T638-D641 PolarHBondContact O-N 3.5Å; S639-D641 VanDerWaalsContact C-N 3.34Å; S639-D641 PolarHBondContact O-N 2.89Å |
| 642 | V | 92.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 16% | 0.164 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -83 | -17.6 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | K611 F615 T638 S639 T640 E644 R682 | K611-V642 HydrophobicContact CB-CG2 3.66Å; F615-V642 HydrophobicContact CB-CG2 4.3Å; T638-V642 HydrophobicContact CG2-CG2 4.34Å; T638-V642 WeakPolarHBondContact O-CB 3.4Å; T638-V642 VanDerWaalsContact O-CG2 3.23Å; T638-V642 WeakPolarHBondContact O-CG2 3.49Å; T638-V642 PolarHBondContact O-N 2.89Å; S639-V642 PolarHBondContact O-N 3.25Å; T640-V642 PolarHBondContact O-N 3.25Å; V642-E644 HydrophobicContact CG1-CG 3.99Å; V642-R682 VanDerWaalsContact CG1-CD 3.45Å |
| 643 | G | 91.5 | Very high | 94.3 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 16 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S639 T640 F645 D681 | S639-G643 PolarHBondContact O-N 2.95Å; T640-G643 PolarHBondContact O-N 3.42Å; G643-F645 WeakPolarHBondContact O-CD2 3.25Å; G643-F645 WeakPolarHBondContact O-CE2 3.47Å; G643-F645 PolarHBondContact O-N 3.25Å; G643-F645 VanDerWaalsContact O-N 3.08Å; G643-D681 WeakPolarHBondContact O-CA 3.44Å; G643-D681 WeakPolarHBondContact O-CB 3.42Å |
| 644 | E | 93.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 26 Ų | 26 | 15% | 0.145 | 13% | 0.132 | C | C | . | . | trans | -84.4 | 64.6 | 174.9 | -68.1 | -71.2 | 179.4 | 0 | 0 | 110.2 | F615 S639 V642 S646 E647 A648 R682 | F615-E644 HydrophobicContact CE1-CG 4.13Å; F615-E644 HydrophobicContact CE2-CB 4.14Å; F615-E644 HydrophobicContact CE2-CG 4.21Å; F615-E644 HydrophobicContact CZ-CB 4.15Å; F615-E644 HydrophobicContact CZ-CG 3.89Å; S639-E644 PolarHBondContact O-N 3.32Å; V642-E644 HydrophobicContact CG1-CG 3.99Å; E644-S646 VanDerWaalsContact C-N 3.31Å; E644-S646 PolarHBondContact O-N 3.27Å; E644-E647 HydrophobicContact CB-CB 4.32Å; E644-E647 PolarHBondContact O-N 3.09Å; E644-E647 VanDerWaalsContact O-N 3.13Å; E644-A648 PolarHBondContact O-N 3.44Å; E644-R682 HydrophobicContact CG-CB 4.35Å; E644-R682 WeakPolarHBondContact OE1-CB 3.43Å; E644-R682 WeakPolarHBondContact OE1-CD 3.45Å | ||
| 645 | F | 94.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 5% | 0.053 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.2 | -30.1 | -168.8 | -57 | -66.1 | 0 | 0 | 0 | 113.9 | G643 E647 A648 I649 I670 L671 A674 D681 T687 L690 | G643-F645 WeakPolarHBondContact O-CD2 3.25Å; G643-F645 WeakPolarHBondContact O-CE2 3.47Å; G643-F645 PolarHBondContact O-N 3.25Å; G643-F645 VanDerWaalsContact O-N 3.08Å; F645-E647 VanDerWaalsContact C-N 3.34Å; F645-A648 PolarHBondContact O-N 3.36Å; F645-I649 WeakPolarHBondContact O-CG1 3.46Å; F645-I649 PolarHBondContact O-N 3.19Å; F645-I670 HydrophobicContact CE1-CG2 4.06Å; F645-L671 HydrophobicContact CB-CD2 4Å; F645-L671 HydrophobicContact CD1-CD2 3.88Å; F645-L671 HydrophobicContact CG-CD2 4.39Å; F645-A674 HydrophobicContact CD1-CB 3.96Å; F645-A674 HydrophobicContact CD2-CB 4Å; F645-A674 HydrophobicContact CE1-CB 3.67Å; F645-A674 HydrophobicContact CE2-CB 3.71Å; F645-A674 HydrophobicContact CG-CB 4.09Å; F645-A674 HydrophobicContact CZ-CB 3.52Å; F645-D681 HydrophobicContact CD2-CB 4.47Å; F645-T687 HydrophobicContact CD2-CG2 3.38Å; F645-T687 HydrophobicContact CE2-CG2 3.93Å; F645-T687 HydrophobicContact CG-CG2 4.3Å; F645-L690 HydrophobicContact CB-CD1 3.84Å |
| 646 | S | 93.1 | Very high | 94.3 | Very high | 26 Ų | 26 | 23.9 Ų | 23.9 | 18% | 0.182 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 174.3 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | E644 I649 K650 | E644-S646 VanDerWaalsContact C-N 3.31Å; E644-S646 PolarHBondContact O-N 3.27Å; S646-I649 PolarHBondContact O-N 3.39Å; S646-K650 WeakPolarHBondContact O-CG 3.46Å; S646-K650 PolarHBondContact O-N 3.26Å |
| 647 | E | 94.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 27.3 Ų | 27.3 | 19% | 0.192 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -71.1 | -38 | 177.5 | -67 | -58.1 | 120.6 | 0 | 0 | 111.7 | F615 Y635 E644 F645 I649 K650 A651 | F615-E647 HydrophobicContact CE2-CB 4.37Å; F615-E647 HydrophobicContact CZ-CG 4.22Å; Y635-E647 HydrophobicContact CE1-CB 4.12Å; Y635-E647 PolarHBondContact OH-OE2 3.18Å; E644-E647 HydrophobicContact CB-CB 4.32Å; E644-E647 PolarHBondContact O-N 3.09Å; E644-E647 VanDerWaalsContact O-N 3.13Å; F645-E647 VanDerWaalsContact C-N 3.34Å; E647-I649 VanDerWaalsContact C-N 3.34Å; E647-I649 PolarHBondContact O-N 3.13Å; E647-K650 WeakPolarHBondContact O-CB 3.47Å; E647-K650 PolarHBondContact O-N 3.1Å; E647-K650 WeakPolarHBondContact OE1-CD 3.49Å; E647-K650 WeakPolarHBondContact OE1-CE 3.42Å; E647-K650 IonicContact OE1-NZ 2.75Å; E647-K650 PolarHBondContact OE1-NZ 2.91Å; E647-A651 WeakPolarHBondContact O-CB 3.43Å; E647-A651 PolarHBondContact O-N 3.14Å |
| 648 | A | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I636 S639 T640 E644 F645 A651 Y652 L671 | I636-A648 HydrophobicContact CG1-CB 4.36Å; S639-A648 WeakPolarHBondContact OG-CA 3.09Å; S639-A648 WeakPolarHBondContact OG-CB 3.33Å; T640-A648 WeakPolarHBondContact OG1-CB 3.36Å; E644-A648 PolarHBondContact O-N 3.44Å; F645-A648 PolarHBondContact O-N 3.36Å; A648-A651 PolarHBondContact O-N 3.11Å; A648-Y652 PolarHBondContact O-N 3.36Å; A648-L671 HydrophobicContact CB-CD2 4Å |
| 649 | I | 95.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -46.6 | 174.8 | -69.9 | 166.2 | 0 | 0 | 0 | 110.9 | F645 S646 E647 A651 Y652 H653 L671 L690 K693 L694 L697 | F645-I649 WeakPolarHBondContact O-CG1 3.46Å; F645-I649 PolarHBondContact O-N 3.19Å; S646-I649 PolarHBondContact O-N 3.39Å; E647-I649 VanDerWaalsContact C-N 3.34Å; E647-I649 PolarHBondContact O-N 3.13Å; I649-A651 VanDerWaalsContact C-N 3.34Å; I649-A651 PolarHBondContact O-N 3.31Å; I649-Y652 PolarHBondContact O-N 3.21Å; I649-H653 PolarHBondContact O-CD2 3.34Å; I649-H653 VanDerWaalsContact O-CD2 3.23Å; I649-H653 PolarHBondContact O-N 2.95Å; I649-H653 VanDerWaalsContact O-N 3.11Å; I649-L671 HydrophobicContact CG1-CD1 4.01Å; I649-L671 HydrophobicContact CG1-CD2 4.08Å; I649-L690 HydrophobicContact CD1-CB 4.23Å; I649-K693 HydrophobicContact CD1-CB 4.41Å; I649-K693 HydrophobicContact CG2-CB 4.24Å; I649-L694 HydrophobicContact CD1-CB 4.31Å; I649-L694 HydrophobicContact CD1-CD1 4.4Å; I649-L694 HydrophobicContact CG1-CD1 4.44Å; I649-L697 HydrophobicContact CG1-CD2 4.38Å; I649-L697 HydrophobicContact CG2-CB 4.32Å; I649-L697 HydrophobicContact CG2-CD2 4.23Å |
| 650 | K | 95.3 | Very high | 92.7 | Very high | 103 Ų | 103 | 36.7 Ų | 36.7 | 45% | 0.448 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 176.5 | -69.9 | 175.2 | -174.2 | 173.8 | 0 | 111.6 | S646 E647 Y652 H653 R654 | S646-K650 WeakPolarHBondContact O-CG 3.46Å; S646-K650 PolarHBondContact O-N 3.26Å; E647-K650 WeakPolarHBondContact O-CB 3.47Å; E647-K650 PolarHBondContact O-N 3.1Å; E647-K650 WeakPolarHBondContact OE1-CD 3.49Å; E647-K650 WeakPolarHBondContact OE1-CE 3.42Å; E647-K650 IonicContact OE1-NZ 2.75Å; E647-K650 PolarHBondContact OE1-NZ 2.91Å; K650-Y652 VanDerWaalsContact C-N 3.3Å; K650-Y652 PolarHBondContact O-N 3.16Å; K650-H653 WeakPolarHBondContact O-CB 3.29Å; K650-H653 PolarHBondContact O-N 2.89Å; K650-R654 PolarHBondContact O-N 2.52Å |
| 651 | A | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | W632 Y635 I636 E647 A648 I649 R654 L655 | W632-A651 HydrophobicContact CE3-CB 3.76Å; W632-A651 HydrophobicContact CZ3-CB 4Å; Y635-A651 HydrophobicContact CD1-CB 3.76Å; Y635-A651 HydrophobicContact CE1-CB 4.28Å; I636-A651 HydrophobicContact CB-CB 3.77Å; I636-A651 HydrophobicContact CD1-CB 4.4Å; I636-A651 HydrophobicContact CG1-CB 4.08Å; E647-A651 WeakPolarHBondContact O-CB 3.43Å; E647-A651 PolarHBondContact O-N 3.14Å; A648-A651 PolarHBondContact O-N 3.11Å; I649-A651 VanDerWaalsContact C-N 3.34Å; I649-A651 PolarHBondContact O-N 3.31Å; A651-R654 PolarHBondContact O-N 3.08Å; A651-L655 WeakPolarHBondContact O-CG 3.43Å; A651-L655 PolarHBondContact O-N 2.7Å |
| 652 | Y | 96.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.6 | -151.8 | -60.6 | 0 | 0 | 0 | 111.4 | I636 A648 I649 K650 R654 L655 L656 Y662 K663 D664 V667 L668 L697 V701 | I636-Y652 HydrophobicContact CD1-CD2 3.44Å; I636-Y652 VanDerWaalsContact CD1-CD2 3.44Å; I636-Y652 HydrophobicContact CD1-CE2 4.4Å; I636-Y652 HydrophobicContact CD1-CG 3.82Å; A648-Y652 PolarHBondContact O-N 3.36Å; I649-Y652 PolarHBondContact O-N 3.21Å; K650-Y652 VanDerWaalsContact C-N 3.3Å; K650-Y652 PolarHBondContact O-N 3.16Å; Y652-R654 PolarHBondContact O-N 2.96Å; Y652-L655 PolarHBondContact O-N 3.07Å; Y652-L656 HydrophobicContact CD1-CD1 4.03Å; Y652-L656 HydrophobicContact CD1-CG 4.02Å; Y652-L656 HydrophobicContact CE1-CD1 4.27Å; Y652-L656 HydrophobicContact CE1-CD2 4.18Å; Y652-L656 HydrophobicContact CE1-CG 4.13Å; Y652-L656 WeakPolarHBondContact O-CG 3.3Å; Y652-L656 PolarHBondContact O-N 3.23Å; Y652-Y662 HydrophobicContact CD1-CD1 4.02Å; Y652-Y662 HydrophobicContact CD1-CE1 4.01Å; Y652-Y662 HydrophobicContact CD2-CE1 4.17Å; Y652-Y662 AromaticContact CE1-CD1 3.67Å; Y652-Y662 HydrophobicContact CE1-CD1 3.67Å; Y652-Y662 AromaticContact CE1-CE1 3.8Å; Y652-Y662 HydrophobicContact CE1-CE1 3.8Å; Y652-Y662 AromaticContact CE2-CE1 3.95Å; Y652-Y662 HydrophobicContact CE2-CE1 3.95Å; Y652-Y662 HydrophobicContact CG-CE1 4.19Å; Y652-Y662 AromaticContact CZ-CE1 3.78Å; Y652-K663 WeakPolarHBondContact OH-CA 3.43Å; Y652-D664 HydrophobicContact CE2-CB 4.25Å; Y652-D664 PolarHBondContact OH-N 3.04Å; Y652-V667 HydrophobicContact CD2-CG1 4.06Å; Y652-V667 HydrophobicContact CE2-CB 4.48Å; Y652-V667 HydrophobicContact CE2-CG1 4.36Å; Y652-L668 HydrophobicContact CD2-CD2 4.15Å; Y652-L668 HydrophobicContact CE2-CD1 4.36Å; Y652-L668 HydrophobicContact CE2-CD2 3.75Å; Y652-L668 HydrophobicContact CE2-CG 3.7Å; Y652-L697 HydrophobicContact CD1-CD1 3.73Å; Y652-L697 HydrophobicContact CD1-CD2 4.5Å; Y652-L697 HydrophobicContact CD2-CD2 4.44Å; Y652-L697 HydrophobicContact CG-CD1 3.99Å; Y652-L697 HydrophobicContact CG-CD2 4.05Å; Y652-V701 HydrophobicContact CD1-CG2 4.17Å; Y652-V701 HydrophobicContact CE1-CG2 3.66Å |
| 653 | H | 94.8 | Very high | 91.8 | Very high | 22 Ų | 22 | 44.5 Ų | 44.5 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.9 | -44.1 | 174.9 | -79.4 | -67.4 | 0 | 0 | 0 | 111.8 | I649 K650 L656 D657 L697 R700 | I649-H653 PolarHBondContact O-CD2 3.34Å; I649-H653 VanDerWaalsContact O-CD2 3.23Å; I649-H653 PolarHBondContact O-N 2.95Å; I649-H653 VanDerWaalsContact O-N 3.11Å; K650-H653 WeakPolarHBondContact O-CB 3.29Å; K650-H653 PolarHBondContact O-N 2.89Å; H653-L656 WeakPolarHBondContact O-CB 3.46Å; H653-L656 PolarHBondContact O-N 2.96Å; H653-D657 PolarHBondContact O-N 3.04Å; H653-D657 VanDerWaalsContact O-N 3.13Å; H653-L697 WeakPolarHBondContact CE1-CA 3.3Å; H653-R700 PolarHBondContact ND1-NH1 3.25Å |
| 654 | R | 94.3 | Very high | 91.8 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 15% | 0.147 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.8 | -40.4 | -179.3 | -171.8 | 53.3 | 176.8 | 159.9 | 3 | 112.7 | Y626 E627 W632 K650 A651 Y652 L656 D657 L658 | Y626-R654 VanDerWaalsContact CD1-NH2 3.31Å; Y626-R654 VanDerWaalsContact CE1-CZ 3.41Å; E627-R654 IonicContact OE1-CZ 2.68Å; E627-R654 IonicContact OE1-NH2 2.77Å; E627-R654 PolarHBondContact OE1-NH2 3.21Å; E627-R654 IonicContact OE2-CZ 3.72Å; E627-R654 IonicContact OE2-NH2 2.72Å; E627-R654 PolarHBondContact OE2-NH2 2.93Å; W632-R654 HydrophobicContact CD2-CB 4.11Å; W632-R654 HydrophobicContact CD2-CG 3.78Å; W632-R654 VanDerWaalsContact CE2-CG 3.42Å; W632-R654 HydrophobicContact CE3-CB 4.2Å; W632-R654 HydrophobicContact CE3-CG 4.33Å; W632-R654 HydrophobicContact CG-CG 4.23Å; W632-R654 HydrophobicContact CH2-CB 4.43Å; W632-R654 HydrophobicContact CH2-CG 4.26Å; W632-R654 HydrophobicContact CZ2-CB 4.35Å; W632-R654 HydrophobicContact CZ2-CG 3.71Å; W632-R654 HydrophobicContact CZ3-CB 4.35Å; K650-R654 PolarHBondContact O-N 2.52Å; A651-R654 PolarHBondContact O-N 3.08Å; Y652-R654 PolarHBondContact O-N 2.96Å; R654-L656 VanDerWaalsContact C-N 3.29Å; R654-L656 PolarHBondContact O-N 3.47Å; R654-D657 PolarHBondContact O-N 3.26Å; R654-L658 HydrophobicContact CG-CD1 4.18Å; R654-L658 WeakPolarHBondContact O-CG 3.3Å; R654-L658 PolarHBondContact O-N 2.84Å |
| 655 | L | 94.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -34.5 | 174.2 | -77.1 | 166.9 | 0 | 0 | 0 | 112.5 | W629 W632 I636 A651 Y652 R659 Y662 | W629-L655 HydrophobicContact CB-CD2 4.46Å; W632-L655 HydrophobicContact CB-CD1 4.29Å; W632-L655 HydrophobicContact CB-CD2 3.52Å; W632-L655 HydrophobicContact CB-CG 3.74Å; I636-L655 HydrophobicContact CB-CD1 4.22Å; I636-L655 HydrophobicContact CD1-CD1 4.3Å; I636-L655 HydrophobicContact CG2-CD1 3.68Å; A651-L655 WeakPolarHBondContact O-CG 3.43Å; A651-L655 PolarHBondContact O-N 2.7Å; Y652-L655 PolarHBondContact O-N 3.07Å; L655-R659 WeakPolarHBondContact O-CB 3.29Å; L655-R659 PolarHBondContact O-N 3.26Å; L655-Y662 HydrophobicContact CB-CD1 3.56Å; L655-Y662 HydrophobicContact CB-CD2 4.17Å; L655-Y662 HydrophobicContact CB-CE1 3.74Å; L655-Y662 HydrophobicContact CB-CE2 4.31Å; L655-Y662 HydrophobicContact CB-CG 3.8Å; L655-Y662 HydrophobicContact CD1-CD1 4.39Å; L655-Y662 HydrophobicContact CD1-CE1 3.71Å; L655-Y662 HydrophobicContact CD1-CE2 3.91Å; L655-Y662 VanDerWaalsContact CD1-CZ 3.43Å; L655-Y662 WeakPolarHBondContact CD1-OH 3.38Å; L655-Y662 HydrophobicContact CG-CE1 4.34Å; L655-Y662 HydrophobicContact CG-CE2 4.48Å |
| 656 | L | 92.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -48.8 | 169.3 | -67 | 167.6 | 0 | 0 | 0 | 109.9 | Y652 H653 R654 L658 R659 Y662 L697 R700 V701 R704 | Y652-L656 HydrophobicContact CD1-CD1 4.03Å; Y652-L656 HydrophobicContact CD1-CG 4.02Å; Y652-L656 HydrophobicContact CE1-CD1 4.27Å; Y652-L656 HydrophobicContact CE1-CD2 4.18Å; Y652-L656 HydrophobicContact CE1-CG 4.13Å; Y652-L656 WeakPolarHBondContact O-CG 3.3Å; Y652-L656 PolarHBondContact O-N 3.23Å; H653-L656 WeakPolarHBondContact O-CB 3.46Å; H653-L656 PolarHBondContact O-N 2.96Å; R654-L656 VanDerWaalsContact C-N 3.29Å; R654-L656 PolarHBondContact O-N 3.47Å; L656-L658 VanDerWaalsContact C-N 3.31Å; L656-L658 PolarHBondContact O-N 3.13Å; L656-R659 CarbonylContact O-C 3.51Å; L656-R659 VanDerWaalsContact O-C 3.25Å; L656-R659 PolarHBondContact O-N 2.79Å; L656-Y662 WeakPolarHBondContact CD2-O 3.5Å; L656-L697 HydrophobicContact CD1-CD1 4.16Å; L656-R700 HydrophobicContact CD1-CB 4.34Å; L656-V701 HydrophobicContact CD1-CG2 3.81Å; L656-R704 PolarHBondContact O-NH1 3.39Å |
| 657 | D | 91.8 | Very high | 91.9 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.2 | -35.1 | -178.4 | -66.7 | -32.1 | 0 | 0 | 0 | 114 | H653 R654 R700 R704 | H653-D657 PolarHBondContact O-N 3.04Å; H653-D657 VanDerWaalsContact O-N 3.13Å; R654-D657 PolarHBondContact O-N 3.26Å; D657-R700 IonicContact OD1-CZ 2.68Å; D657-R700 IonicContact OD1-NH2 3.18Å; D657-R700 PolarHBondContact OD1-NH2 3.32Å; D657-R700 IonicContact OD2-CZ 3.92Å; D657-R700 IonicContact OD2-NH1 3.19Å; D657-R700 IonicContact OD2-NH2 3.03Å; D657-R700 PolarHBondContact OD2-NH2 3.31Å; D657-R704 IonicContact OD1-NH2 3.91Å; D657-R704 PolarHBondContact OD1-NH2 2.93Å |
| 658 | L | 91.2 | Very high | 92 | Very high | 47 Ų | 47 | 48.2 Ų | 48.2 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -80.4 | -24.6 | 176.8 | -65.8 | 174.5 | 0 | 0 | 0 | 113.2 | W629 W632 R654 L656 | W629-L658 HydrophobicContact CB-CB 4.2Å; W629-L658 HydrophobicContact CB-CD1 4.08Å; W632-L658 VanDerWaalsContact CD1-CD1 3.49Å; W632-L658 HydrophobicContact CG-CD1 4.33Å; R654-L658 HydrophobicContact CG-CD1 4.18Å; R654-L658 WeakPolarHBondContact O-CG 3.3Å; R654-L658 PolarHBondContact O-N 2.84Å; L656-L658 VanDerWaalsContact C-N 3.31Å; L656-L658 PolarHBondContact O-N 3.13Å |
| 659 | R | 89.6 | Confident | 92 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 36% | 0.358 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -135.8 | 111.4 | -175.7 | -63 | -177.1 | 65 | -158.7 | -1.7 | 111.1 | W629 E633 L655 L656 K661 Y662 | W629-R659 HydrophobicContact CB-CG 4.43Å; E633-R659 IonicContact OE1-NH1 2.99Å; L655-R659 WeakPolarHBondContact O-CB 3.29Å; L655-R659 PolarHBondContact O-N 3.26Å; L656-R659 CarbonylContact O-C 3.51Å; L656-R659 VanDerWaalsContact O-C 3.25Å; L656-R659 PolarHBondContact O-N 2.79Å; R659-K661 PolarHBondContact O-N 3.46Å; R659-Y662 PolarHBondContact O-N 3.48Å; R659-Y662 VanDerWaalsContact O-N 3.13Å |
| 660 | D | 75.9 | Confident | 91.9 | Very high | 137 Ų | 137 | 54.6 Ų | 54.6 | 73% | 0.733 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -21.2 | -174.1 | -76.4 | -27.3 | 0 | 0 | 0 | 116.3 | ||
| 661 | K | 79.2 | Confident | 91.9 | Very high | 177 Ų | 177 | 49.7 Ų | 49.7 | 77% | 0.77 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -134 | 31 | 179.8 | -62.1 | -176.1 | -178.1 | 175.9 | 0 | 114.2 | R659 K663 | R659-K661 PolarHBondContact O-N 3.46Å; K661-K663 PolarHBondContact O-N 2.82Å |
| 662 | Y | 88.3 | Confident | 91.8 | Very high | 9 Ų | 9 | 49.7 Ų | 49.7 | 4% | 0.035 | 23% | 0.234 | C | C | . | . | trans | -61.6 | 126.3 | 176.9 | -178.4 | -103 | 0 | 0 | 0 | 111.8 | Y652 L655 L656 R659 D664 | Y652-Y662 HydrophobicContact CD1-CD1 4.02Å; Y652-Y662 HydrophobicContact CD1-CE1 4.01Å; Y652-Y662 HydrophobicContact CD2-CE1 4.17Å; Y652-Y662 AromaticContact CE1-CD1 3.67Å; Y652-Y662 HydrophobicContact CE1-CD1 3.67Å; Y652-Y662 AromaticContact CE1-CE1 3.8Å; Y652-Y662 HydrophobicContact CE1-CE1 3.8Å; Y652-Y662 AromaticContact CE2-CE1 3.95Å; Y652-Y662 HydrophobicContact CE2-CE1 3.95Å; Y652-Y662 HydrophobicContact CG-CE1 4.19Å; Y652-Y662 AromaticContact CZ-CE1 3.78Å; L655-Y662 HydrophobicContact CB-CD1 3.56Å; L655-Y662 HydrophobicContact CB-CD2 4.17Å; L655-Y662 HydrophobicContact CB-CE1 3.74Å; L655-Y662 HydrophobicContact CB-CE2 4.31Å; L655-Y662 HydrophobicContact CB-CG 3.8Å; L655-Y662 HydrophobicContact CD1-CD1 4.39Å; L655-Y662 HydrophobicContact CD1-CE1 3.71Å; L655-Y662 HydrophobicContact CD1-CE2 3.91Å; L655-Y662 VanDerWaalsContact CD1-CZ 3.43Å; L655-Y662 WeakPolarHBondContact CD1-OH 3.38Å; L655-Y662 HydrophobicContact CG-CE1 4.34Å; L655-Y662 HydrophobicContact CG-CE2 4.48Å; L656-Y662 WeakPolarHBondContact CD2-O 3.5Å; R659-Y662 PolarHBondContact O-N 3.48Å; R659-Y662 VanDerWaalsContact O-N 3.13Å; Y662-D664 HydrophobicContact CE1-CB 4.48Å | ||
| 663 | K | 89.9 | Confident | 91.6 | Very high | 109 Ų | 109 | 57.1 Ų | 57.1 | 47% | 0.474 | 26% | 0.262 | S | S | . | . | trans | -144.6 | 130.4 | 170.4 | 69.4 | 177.7 | -168.7 | 166.8 | 0 | 111.6 | Y652 K661 V705 D708 I711 | Y652-K663 WeakPolarHBondContact OH-CA 3.43Å; K661-K663 PolarHBondContact O-N 2.82Å; K663-V705 HydrophobicContact CB-CG2 4.42Å; K663-V705 HydrophobicContact CD-CG1 4.18Å; K663-D708 IonicContact NZ-OD2 3.8Å; K663-D708 PolarHBondContact NZ-OD2 2.9Å; K663-I711 HydrophobicContact CB-CD1 4.45Å | ||
| 664 | D | 92.6 | Very high | 91.5 | Very high | 39 Ų | 39 | 56.1 Ų | 56.1 | 21% | 0.209 | 26% | 0.257 | C | S | . | . | trans | -132.8 | 99.6 | 169.1 | -172 | -29.7 | 0 | 0 | 0 | 108.7 | Y652 Y662 Q666 V667 L668 | Y652-D664 HydrophobicContact CE2-CB 4.25Å; Y652-D664 PolarHBondContact OH-N 3.04Å; Y662-D664 HydrophobicContact CE1-CB 4.48Å; D664-Q666 VanDerWaalsContact C-N 3.27Å; D664-Q666 PolarHBondContact O-N 2.89Å; D664-Q666 WeakPolarHBondContact OD1-CB 3.15Å; D664-Q666 PolarHBondContact OD1-N 2.88Å; D664-V667 HydrophobicContact CB-CB 4.21Å; D664-V667 HydrophobicContact CB-CG2 4.23Å; D664-V667 PolarHBondContact OD1-N 3.26Å; D664-V667 WeakPolarHBondContact OD2-CG2 3.43Å; D664-L668 WeakPolarHBondContact O-CG 3.42Å; D664-L668 PolarHBondContact O-N 3.42Å | ||
| 665 | V | 93.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 54.5 Ų | 54.5 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.7 | -28.7 | -177.8 | -178.8 | 0 | 0 | 0 | 0 | 111.3 | K669 E710 I711 L714 | V665-K669 HydrophobicContact CG1-CD 4.31Å; V665-K669 HydrophobicContact CG1-CG 4.49Å; V665-K669 WeakPolarHBondContact O-CB 3.31Å; V665-K669 VanDerWaalsContact O-CG 3.29Å; V665-K669 WeakPolarHBondContact O-CG 3.46Å; V665-K669 PolarHBondContact O-N 2.9Å; V665-E710 HydrophobicContact CG1-CB 4.46Å; V665-E710 HydrophobicContact CG1-CG 3.74Å; V665-I711 HydrophobicContact CG2-CD1 4.35Å; V665-I711 HydrophobicContact CG2-CG1 4.13Å; V665-L714 HydrophobicContact CG1-CD1 4.17Å |
| 666 | Q | 94.6 | Very high | 91 | Very high | 126 Ų | 126 | 58 Ų | 58 | 59% | 0.589 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.5 | -43.9 | -178.5 | -61.4 | -61.2 | -11.8 | 0 | 0 | 110.8 | D664 L668 K669 I670 | D664-Q666 VanDerWaalsContact C-N 3.27Å; D664-Q666 PolarHBondContact O-N 2.89Å; D664-Q666 WeakPolarHBondContact OD1-CB 3.15Å; D664-Q666 PolarHBondContact OD1-N 2.88Å; Q666-L668 VanDerWaalsContact C-N 3.34Å; Q666-L668 PolarHBondContact O-N 3.35Å; Q666-K669 WeakPolarHBondContact O-CB 3.43Å; Q666-K669 PolarHBondContact O-N 3.35Å; Q666-I670 WeakPolarHBondContact O-CG1 3.48Å; Q666-I670 PolarHBondContact O-N 2.73Å |
| 667 | V | 95.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 173.1 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | I636 L637 Y652 D664 K669 I670 L671 | I636-V667 HydrophobicContact CD1-CG1 3.81Å; I636-V667 HydrophobicContact CG1-CG1 3.97Å; L637-V667 HydrophobicContact CD2-CG2 4.05Å; Y652-V667 HydrophobicContact CD2-CG1 4.06Å; Y652-V667 HydrophobicContact CE2-CB 4.48Å; Y652-V667 HydrophobicContact CE2-CG1 4.36Å; D664-V667 HydrophobicContact CB-CB 4.21Å; D664-V667 HydrophobicContact CB-CG2 4.23Å; D664-V667 PolarHBondContact OD1-N 3.26Å; D664-V667 WeakPolarHBondContact OD2-CG2 3.43Å; V667-K669 VanDerWaalsContact C-N 3.32Å; V667-K669 PolarHBondContact O-N 2.84Å; V667-I670 PolarHBondContact O-N 3.27Å; V667-L671 HydrophobicContact CG1-CD1 3.93Å; V667-L671 HydrophobicContact CG1-CG 4.29Å; V667-L671 WeakPolarHBondContact O-CG 3.3Å; V667-L671 PolarHBondContact O-N 2.98Å |
| 668 | L | 95.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -41.9 | 176.3 | -69.8 | 175.9 | 0 | 0 | 0 | 112.2 | Y652 D664 Q666 I670 L671 V672 L697 F698 V701 I711 L714 | Y652-L668 HydrophobicContact CD2-CD2 4.15Å; Y652-L668 HydrophobicContact CE2-CD1 4.36Å; Y652-L668 HydrophobicContact CE2-CD2 3.75Å; Y652-L668 HydrophobicContact CE2-CG 3.7Å; D664-L668 WeakPolarHBondContact O-CG 3.42Å; D664-L668 PolarHBondContact O-N 3.42Å; Q666-L668 VanDerWaalsContact C-N 3.34Å; Q666-L668 PolarHBondContact O-N 3.35Å; L668-I670 PolarHBondContact O-N 3.1Å; L668-L671 PolarHBondContact O-N 3.48Å; L668-V672 WeakPolarHBondContact O-CB 3.3Å; L668-V672 VanDerWaalsContact O-CG2 3.25Å; L668-V672 WeakPolarHBondContact O-CG2 3.45Å; L668-V672 PolarHBondContact O-N 3.02Å; L668-L697 HydrophobicContact CD2-CD2 4.02Å; L668-F698 HydrophobicContact CB-CE1 4.4Å; L668-F698 HydrophobicContact CB-CZ 4.04Å; L668-F698 HydrophobicContact CD1-CE1 4.06Å; L668-F698 HydrophobicContact CD1-CZ 4.46Å; L668-F698 HydrophobicContact CD2-CE1 4.2Å; L668-F698 HydrophobicContact CD2-CE2 4.39Å; L668-F698 HydrophobicContact CD2-CZ 3.96Å; L668-F698 HydrophobicContact CG-CE1 4.46Å; L668-F698 HydrophobicContact CG-CZ 4.38Å; L668-V701 HydrophobicContact CD1-CG1 4.34Å; L668-I711 HydrophobicContact CD1-CD1 4.41Å; L668-I711 HydrophobicContact CD1-CG1 4.27Å; L668-I711 HydrophobicContact CD1-CG2 4.32Å; L668-L714 HydrophobicContact CB-CD1 4.05Å |
| 669 | K | 95.1 | Very high | 90.2 | Very high | 70 Ų | 70 | 62 Ų | 62 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.2 | -80.2 | 175.9 | 177.1 | -171.3 | 0 | 112.3 | V665 Q666 V667 R673 E710 L714 | V665-K669 HydrophobicContact CG1-CD 4.31Å; V665-K669 HydrophobicContact CG1-CG 4.49Å; V665-K669 WeakPolarHBondContact O-CB 3.31Å; V665-K669 VanDerWaalsContact O-CG 3.29Å; V665-K669 WeakPolarHBondContact O-CG 3.46Å; V665-K669 PolarHBondContact O-N 2.9Å; Q666-K669 WeakPolarHBondContact O-CB 3.43Å; Q666-K669 PolarHBondContact O-N 3.35Å; V667-K669 VanDerWaalsContact C-N 3.32Å; V667-K669 PolarHBondContact O-N 2.84Å; K669-R673 WeakPolarHBondContact O-CB 3.4Å; K669-R673 PolarHBondContact O-N 2.95Å; K669-E710 WeakPolarHBondContact CE-OE1 3.24Å; K669-E710 IonicContact NZ-OE1 3.89Å; K669-E710 PolarHBondContact NZ-OE1 3.34Å; K669-L714 HydrophobicContact CG-CD1 3.72Å; K669-L714 HydrophobicContact CG-CD2 3.77Å; K669-L714 HydrophobicContact CG-CG 4.36Å |
| 670 | I | 94.7 | Very high | 90 | Very high | 67 Ų | 67 | 61.9 Ų | 61.9 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -45 | 179.6 | -64.7 | 164.7 | 0 | 0 | 0 | 110.1 | T640 F645 Q666 V667 L668 V672 R673 A674 | T640-I670 HydrophobicContact CG2-CB 3.91Å; T640-I670 HydrophobicContact CG2-CD1 3.82Å; T640-I670 HydrophobicContact CG2-CG1 4.48Å; T640-I670 HydrophobicContact CG2-CG2 3.52Å; F645-I670 HydrophobicContact CE1-CG2 4.06Å; Q666-I670 WeakPolarHBondContact O-CG1 3.48Å; Q666-I670 PolarHBondContact O-N 2.73Å; V667-I670 PolarHBondContact O-N 3.27Å; L668-I670 PolarHBondContact O-N 3.1Å; I670-V672 PolarHBondContact O-N 3.1Å; I670-R673 PolarHBondContact O-N 2.86Å; I670-A674 WeakPolarHBondContact O-CB 3.4Å; I670-A674 PolarHBondContact O-N 3.13Å |
| 671 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 177.7 | -69.2 | 173.6 | 0 | 0 | 0 | 112.3 | F645 A648 I649 V667 L668 A674 V675 L694 L697 | F645-L671 HydrophobicContact CB-CD2 4Å; F645-L671 HydrophobicContact CD1-CD2 3.88Å; F645-L671 HydrophobicContact CG-CD2 4.39Å; A648-L671 HydrophobicContact CB-CD2 4Å; I649-L671 HydrophobicContact CG1-CD1 4.01Å; I649-L671 HydrophobicContact CG1-CD2 4.08Å; V667-L671 HydrophobicContact CG1-CD1 3.93Å; V667-L671 HydrophobicContact CG1-CG 4.29Å; V667-L671 WeakPolarHBondContact O-CG 3.3Å; V667-L671 PolarHBondContact O-N 2.98Å; L668-L671 PolarHBondContact O-N 3.48Å; L671-A674 PolarHBondContact O-N 3.47Å; L671-V675 WeakPolarHBondContact O-CG2 3.35Å; L671-V675 PolarHBondContact O-N 2.76Å; L671-L694 HydrophobicContact CB-CD1 4.02Å; L671-L694 HydrophobicContact CD1-CD1 4.42Å; L671-L697 HydrophobicContact CD1-CD2 4.26Å |
| 672 | V | 94.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | L668 I670 A674 V675 I676 L694 F698 L714 Q717 V718 | L668-V672 WeakPolarHBondContact O-CB 3.3Å; L668-V672 VanDerWaalsContact O-CG2 3.25Å; L668-V672 WeakPolarHBondContact O-CG2 3.45Å; L668-V672 PolarHBondContact O-N 3.02Å; I670-V672 PolarHBondContact O-N 3.1Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 2.93Å; V672-V675 PolarHBondContact O-N 3.21Å; V672-I676 HydrophobicContact CG1-CD1 3.48Å; V672-I676 VanDerWaalsContact CG1-CD1 3.48Å; V672-I676 HydrophobicContact CG1-CG1 4.29Å; V672-I676 WeakPolarHBondContact O-CB 3.22Å; V672-I676 VanDerWaalsContact O-CG1 3.26Å; V672-I676 WeakPolarHBondContact O-CG1 3.33Å; V672-I676 PolarHBondContact O-N 3.48Å; V672-L694 HydrophobicContact CG2-CD2 4.11Å; V672-F698 HydrophobicContact CG2-CE2 3.47Å; V672-F698 VanDerWaalsContact CG2-CE2 3.47Å; V672-F698 HydrophobicContact CG2-CZ 3.51Å; V672-L714 HydrophobicContact CG2-CB 4.24Å; V672-L714 HydrophobicContact CG2-CD2 4.45Å; V672-Q717 HydrophobicContact CG1-CB 4.07Å; V672-Q717 HydrophobicContact CG1-CG 4.12Å; V672-V718 HydrophobicContact CG1-CG2 4.38Å; V672-V718 HydrophobicContact CG2-CG2 3.72Å |
| 673 | R | 92.9 | Very high | 90.1 | Very high | 156 Ų | 156 | 55.9 Ų | 55.9 | 59% | 0.589 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 178 | -177.7 | -178.7 | -71.1 | 168.1 | -2.5 | 111.7 | K669 I670 N677 M679 | K669-R673 WeakPolarHBondContact O-CB 3.4Å; K669-R673 PolarHBondContact O-N 2.95Å; I670-R673 PolarHBondContact O-N 2.86Å; R673-N677 WeakPolarHBondContact O-CB 3.35Å; R673-N677 PolarHBondContact O-N 3.37Å; R673-M679 HydrophobicContact CG-CE 3.82Å |
| 674 | A | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.3 | -53.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F645 I670 L671 V672 G678 M679 T687 | F645-A674 HydrophobicContact CD1-CB 3.96Å; F645-A674 HydrophobicContact CD2-CB 4Å; F645-A674 HydrophobicContact CE1-CB 3.67Å; F645-A674 HydrophobicContact CE2-CB 3.71Å; F645-A674 HydrophobicContact CG-CB 4.09Å; F645-A674 HydrophobicContact CZ-CB 3.52Å; I670-A674 WeakPolarHBondContact O-CB 3.4Å; I670-A674 PolarHBondContact O-N 3.13Å; L671-A674 PolarHBondContact O-N 3.47Å; V672-A674 VanDerWaalsContact C-N 3.35Å; V672-A674 PolarHBondContact O-N 2.93Å; A674-G678 PolarHBondContact O-N 2.9Å; A674-G678 VanDerWaalsContact O-N 3.13Å; A674-M679 HydrophobicContact CB-CB 4.4Å; A674-M679 HydrophobicContact CB-SD 4.18Å; A674-M679 PolarHBondContact O-N 2.89Å; A674-T687 PolarHBondContact O-OG1 3.23Å |
| 675 | V | 90.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.036 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.6 | -42 | -177 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | L671 V672 G678 L690 K691 L694 | L671-V675 WeakPolarHBondContact O-CG2 3.35Å; L671-V675 PolarHBondContact O-N 2.76Å; V672-V675 PolarHBondContact O-N 3.21Å; V675-G678 PolarHBondContact O-N 3.24Å; V675-L690 HydrophobicContact CG2-CB 4.1Å; V675-K691 HydrophobicContact CG1-CB 3.94Å; V675-K691 HydrophobicContact CG1-CG 4.48Å; V675-L694 HydrophobicContact CB-CD2 4.08Å; V675-L694 HydrophobicContact CG1-CD2 4.43Å; V675-L694 HydrophobicContact CG2-CD2 3.88Å |
| 676 | I | 88.6 | Confident | 88.9 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 37% | 0.369 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -74.3 | -41.3 | -176.9 | -66.9 | 178.7 | 0 | 0 | 0 | 111.7 | V672 G678 Q717 | V672-I676 HydrophobicContact CG1-CD1 3.48Å; V672-I676 VanDerWaalsContact CG1-CD1 3.48Å; V672-I676 HydrophobicContact CG1-CG1 4.29Å; V672-I676 WeakPolarHBondContact O-CB 3.22Å; V672-I676 VanDerWaalsContact O-CG1 3.26Å; V672-I676 WeakPolarHBondContact O-CG1 3.33Å; V672-I676 PolarHBondContact O-N 3.48Å; I676-G678 PolarHBondContact O-N 2.81Å; I676-Q717 HydrophobicContact CD1-CB 4.14Å; I676-Q717 HydrophobicContact CD1-CG 3.53Å; I676-Q717 WeakPolarHBondContact CD1-O 3.23Å |
| 677 | N | 87.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 57% | 0.572 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -0.9 | 178.8 | -64.2 | 0.1 | 0 | 0 | 0 | 112.3 | R673 M679 | R673-N677 WeakPolarHBondContact O-CB 3.35Å; R673-N677 PolarHBondContact O-N 3.37Å; N677-M679 VanDerWaalsContact C-N 3.31Å; N677-M679 HydrophobicContact CB-CE 4.26Å; N677-M679 HydrophobicContact CB-CG 4.35Å; N677-M679 PolarHBondContact O-N 2.99Å |
| 678 | G | 83.8 | Confident | 88 | Confident | 24 Ų | 24 | 56.4 Ų | 56.4 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 39.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A674 V675 I676 | A674-G678 PolarHBondContact O-N 2.9Å; A674-G678 VanDerWaalsContact O-N 3.13Å; V675-G678 PolarHBondContact O-N 3.24Å; I676-G678 PolarHBondContact O-N 2.81Å |
| 679 | M | 87.9 | Confident | 87.5 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | trans | -60.8 | 147.6 | 176.2 | -64.4 | -176.6 | -179.5 | 0 | 0 | 109.8 | R673 A674 N677 T687 | R673-M679 HydrophobicContact CG-CE 3.82Å; A674-M679 HydrophobicContact CB-CB 4.4Å; A674-M679 HydrophobicContact CB-SD 4.18Å; A674-M679 PolarHBondContact O-N 2.89Å; N677-M679 VanDerWaalsContact C-N 3.31Å; N677-M679 HydrophobicContact CB-CE 4.26Å; N677-M679 HydrophobicContact CB-CG 4.35Å; N677-M679 PolarHBondContact O-N 2.99Å; M679-T687 PolarHBondContact N-OG1 3.48Å; M679-T687 WeakPolarHBondContact O-CB 3.45Å; M679-T687 WeakPolarHBondContact O-CG2 3.41Å; M679-T687 PolarHBondContact O-N 3.34Å; M679-T687 PolarHBondContact O-OG1 3Å | ||
| 680 | T | 85.5 | Confident | 87.3 | Confident | 92 Ų | 92 | 57.2 Ų | 57.2 | 56% | 0.564 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -77.7 | 136.6 | 170 | 52.1 | 0 | 0 | 0 | 0 | 109.2 | D685 | T680-D685 WeakPolarHBondContact CA-O 3.46Å |
| 681 | D | 85.3 | Confident | 87.1 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 14% | 0.139 | 33% | 0.33 | C | S | . | . | trans | -69.6 | -176.5 | 166.8 | 76.2 | -0.5 | 0 | 0 | 0 | 110.7 | G643 F645 S683 G684 D685 T687 | G643-D681 WeakPolarHBondContact O-CA 3.44Å; G643-D681 WeakPolarHBondContact O-CB 3.42Å; F645-D681 HydrophobicContact CD2-CB 4.47Å; D681-S683 VanDerWaalsContact C-N 3.27Å; D681-S683 VanDerWaalsContact CG-OG 3.25Å; D681-S683 PolarHBondContact O-N 2.86Å; D681-S683 VanDerWaalsContact OD1-CA 3.27Å; D681-S683 WeakPolarHBondContact OD1-CA 3.26Å; D681-S683 WeakPolarHBondContact OD1-CB 3.31Å; D681-S683 PolarHBondContact OD1-N 3.32Å; D681-S683 PolarHBondContact OD1-OG 3.01Å; D681-S683 PolarHBondContact OD2-OG 3.31Å; D681-G684 PolarHBondContact O-N 3.34Å; D681-G684 PolarHBondContact OD1-N 3.49Å; D681-D685 PolarHBondContact N-O 3.41Å; D681-D685 PolarHBondContact OD1-N 2.94Å; D681-T687 HydrophobicContact CB-CG2 4.28Å | ||
| 682 | R | 80.8 | Confident | 86.9 | Confident | 94 Ų | 94 | 59.2 Ų | 59.2 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -27.9 | 176.8 | 172.7 | 172.4 | 171.4 | -165.3 | -0.1 | 113.5 | V642 E644 G684 | V642-R682 VanDerWaalsContact CG1-CD 3.45Å; E644-R682 HydrophobicContact CG-CB 4.35Å; E644-R682 WeakPolarHBondContact OE1-CB 3.43Å; E644-R682 WeakPolarHBondContact OE1-CD 3.45Å; R682-G684 VanDerWaalsContact C-N 3.26Å |
| 683 | S | 78.9 | Confident | 86.9 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 54% | 0.538 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -19 | 177 | -19.3 | 0 | 0 | 0 | 0 | 112.6 | D681 | D681-S683 VanDerWaalsContact C-N 3.27Å; D681-S683 VanDerWaalsContact CG-OG 3.25Å; D681-S683 PolarHBondContact O-N 2.86Å; D681-S683 VanDerWaalsContact OD1-CA 3.27Å; D681-S683 WeakPolarHBondContact OD1-CA 3.26Å; D681-S683 WeakPolarHBondContact OD1-CB 3.31Å; D681-S683 PolarHBondContact OD1-N 3.32Å; D681-S683 PolarHBondContact OD1-OG 3.01Å; D681-S683 PolarHBondContact OD2-OG 3.31Å |
| 684 | G | 80.8 | Confident | 87 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 94 | 3.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D681 R682 | D681-G684 PolarHBondContact O-N 3.34Å; D681-G684 PolarHBondContact OD1-N 3.49Å; R682-G684 VanDerWaalsContact C-N 3.26Å |
| 685 | D | 83.8 | Confident | 87.1 | Confident | 105 Ų | 105 | 58 Ų | 58 | 56% | 0.561 | 35% | 0.35 | S | S | * | . | trans | -80 | 140.7 | 179.3 | -66.2 | -36.4 | 0 | 0 | 0 | 111.3 | T680 D681 T687 | T680-D685 WeakPolarHBondContact CA-O 3.46Å; D681-D685 PolarHBondContact N-O 3.41Å; D681-D685 PolarHBondContact OD1-N 2.94Å; D685-T687 PolarHBondContact O-N 2.98Å | ||
| 686 | V | 85.6 | Confident | 87.4 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | B | Isolated β-bridge | trans | -75.5 | 123.2 | 179.6 | -172.7 | 0 | 0 | 0 | 0 | 109.9 | T688 G689 | V686-T688 HydrophobicContact CG1-CG2 3.94Å; V686-T688 WeakPolarHBondContact CG1-OG1 3.4Å; V686-T688 PolarHBondContact O-N 3.26Å; V686-T688 VanDerWaalsContact O-N 3.09Å; V686-G689 PolarHBondContact O-N 3Å |
| 687 | T | 85.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -68.7 | -7.4 | -175.1 | 53.1 | 0 | 0 | 0 | 0 | 115.1 | F645 A674 M679 D681 D685 G689 L690 | F645-T687 HydrophobicContact CD2-CG2 3.38Å; F645-T687 HydrophobicContact CE2-CG2 3.93Å; F645-T687 HydrophobicContact CG-CG2 4.3Å; A674-T687 PolarHBondContact O-OG1 3.23Å; M679-T687 PolarHBondContact N-OG1 3.48Å; M679-T687 WeakPolarHBondContact O-CB 3.45Å; M679-T687 WeakPolarHBondContact O-CG2 3.41Å; M679-T687 PolarHBondContact O-N 3.34Å; M679-T687 PolarHBondContact O-OG1 3Å; D681-T687 HydrophobicContact CB-CG2 4.28Å; D685-T687 PolarHBondContact O-N 2.98Å; T687-G689 PolarHBondContact O-N 2.91Å; T687-L690 HydrophobicContact CG2-CD1 4.3Å; T687-L690 VanDerWaalsContact O-CB 3.32Å; T687-L690 WeakPolarHBondContact O-CB 3.37Å; T687-L690 PolarHBondContact O-N 2.71Å |
| 688 | T | 85.2 | Confident | 88 | Confident | 79 Ų | 79 | 54.8 Ų | 54.8 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -57.5 | -30.3 | 174.8 | 54.2 | 0 | 0 | 0 | 0 | 112.2 | V686 L690 K691 | V686-T688 HydrophobicContact CG1-CG2 3.94Å; V686-T688 WeakPolarHBondContact CG1-OG1 3.4Å; V686-T688 PolarHBondContact O-N 3.26Å; V686-T688 VanDerWaalsContact O-N 3.09Å; T688-L690 PolarHBondContact O-N 3.25Å; T688-K691 VanDerWaalsContact O-CB 3.31Å; T688-K691 WeakPolarHBondContact O-CB 3.37Å; T688-K691 PolarHBondContact O-N 3.01Å; T688-K691 VanDerWaalsContact O-N 3.15Å |
| 689 | G | 85.8 | Confident | 88.4 | Confident | 66 Ų | 66 | 54.9 Ų | 54.9 | 68% | 0.68 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -62.4 | -19.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V686 T687 K691 | V686-G689 PolarHBondContact O-N 3Å; T687-G689 PolarHBondContact O-N 2.91Å; G689-K691 VanDerWaalsContact C-N 3.33Å |
| 690 | L | 90.4 | Very high | 88.7 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 11% | 0.11 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -84.1 | -4.1 | 177.7 | -57.7 | 175 | 0 | 0 | 0 | 113.2 | F645 I649 V675 T687 T688 G692 K693 L694 | F645-L690 HydrophobicContact CB-CD1 3.84Å; I649-L690 HydrophobicContact CD1-CB 4.23Å; V675-L690 HydrophobicContact CG2-CB 4.1Å; T687-L690 HydrophobicContact CG2-CD1 4.3Å; T687-L690 VanDerWaalsContact O-CB 3.32Å; T687-L690 WeakPolarHBondContact O-CB 3.37Å; T687-L690 PolarHBondContact O-N 2.71Å; T688-L690 PolarHBondContact O-N 3.25Å; L690-G692 VanDerWaalsContact C-N 3.25Å; L690-G692 PolarHBondContact O-N 3.27Å; L690-K693 HydrophobicContact CD2-CD 4.01Å; L690-K693 PolarHBondContact O-N 3.2Å; L690-K693 VanDerWaalsContact O-N 3.08Å; L690-L694 PolarHBondContact O-N 2.93Å |
| 691 | K | 90.6 | Very high | 89.1 | Confident | 65 Ų | 65 | 50.3 Ų | 50.3 | 28% | 0.283 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -50.9 | -43.8 | -179.9 | -171.3 | -173.7 | -174.6 | -165.8 | 0 | 112.2 | V675 T688 G689 L694 Q695 V718 E729 | V675-K691 HydrophobicContact CG1-CB 3.94Å; V675-K691 HydrophobicContact CG1-CG 4.48Å; T688-K691 VanDerWaalsContact O-CB 3.31Å; T688-K691 WeakPolarHBondContact O-CB 3.37Å; T688-K691 PolarHBondContact O-N 3.01Å; T688-K691 VanDerWaalsContact O-N 3.15Å; G689-K691 VanDerWaalsContact C-N 3.33Å; K691-L694 PolarHBondContact O-N 3.42Å; K691-Q695 VanDerWaalsContact O-CG 3.27Å; K691-Q695 WeakPolarHBondContact O-CG 3.29Å; K691-Q695 PolarHBondContact O-N 3.47Å; K691-V718 WeakPolarHBondContact CE-O 3.46Å; K691-V718 HydrophobicContact CG-CG1 4.2Å; K691-E729 IonicContact NZ-OE1 2.8Å; K691-E729 PolarHBondContact NZ-OE1 3.47Å; K691-E729 IonicContact NZ-OE2 3.76Å; K691-E729 PolarHBondContact NZ-OE2 3.42Å |
| 692 | G | 91.1 | Very high | 89.3 | Confident | 44 Ų | 44 | 49.5 Ų | 49.5 | 45% | 0.454 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L690 L694 Q695 E696 | L690-G692 VanDerWaalsContact C-N 3.25Å; L690-G692 PolarHBondContact O-N 3.27Å; G692-L694 VanDerWaalsContact C-N 3.32Å; G692-L694 PolarHBondContact O-N 2.89Å; G692-Q695 WeakPolarHBondContact O-CB 3.32Å; G692-Q695 PolarHBondContact O-N 3.39Å; G692-E696 PolarHBondContact O-N 2.98Å; G692-E696 VanDerWaalsContact O-N 3.15Å |
| 693 | K | 93.6 | Very high | 89.8 | Confident | 92 Ų | 92 | 49 Ų | 49 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 177.1 | -63.2 | -176.7 | -177.7 | 173.1 | 0 | 111.7 | I649 L690 E696 L697 | I649-K693 HydrophobicContact CD1-CB 4.41Å; I649-K693 HydrophobicContact CG2-CB 4.24Å; L690-K693 HydrophobicContact CD2-CD 4.01Å; L690-K693 PolarHBondContact O-N 3.2Å; L690-K693 VanDerWaalsContact O-N 3.08Å; K693-E696 PolarHBondContact O-N 3.17Å; K693-L697 PolarHBondContact O-N 2.64Å |
| 694 | L | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.9 | -38.1 | 177.6 | -171.1 | 59.5 | 0 | 0 | 0 | 111.8 | I649 L671 V672 V675 L690 K691 G692 E696 L697 F698 V718 | I649-L694 HydrophobicContact CD1-CB 4.31Å; I649-L694 HydrophobicContact CD1-CD1 4.4Å; I649-L694 HydrophobicContact CG1-CD1 4.44Å; L671-L694 HydrophobicContact CB-CD1 4.02Å; L671-L694 HydrophobicContact CD1-CD1 4.42Å; V672-L694 HydrophobicContact CG2-CD2 4.11Å; V675-L694 HydrophobicContact CB-CD2 4.08Å; V675-L694 HydrophobicContact CG1-CD2 4.43Å; V675-L694 HydrophobicContact CG2-CD2 3.88Å; L690-L694 PolarHBondContact O-N 2.93Å; K691-L694 PolarHBondContact O-N 3.42Å; G692-L694 VanDerWaalsContact C-N 3.32Å; G692-L694 PolarHBondContact O-N 2.89Å; L694-E696 VanDerWaalsContact C-N 3.33Å; L694-E696 PolarHBondContact O-N 2.92Å; L694-L697 HydrophobicContact CD1-CD2 4.2Å; L694-L697 PolarHBondContact O-N 3.28Å; L694-F698 HydrophobicContact CD1-CD2 3.97Å; L694-F698 HydrophobicContact CD1-CE2 3.69Å; L694-F698 HydrophobicContact CD2-CE2 4.33Å; L694-F698 HydrophobicContact CG-CD2 3.94Å; L694-F698 HydrophobicContact CG-CE2 3.84Å; L694-F698 WeakPolarHBondContact O-CD2 3.24Å; L694-F698 PolarHBondContact O-N 3.03Å; L694-V718 HydrophobicContact CD2-CG1 4.43Å; L694-V718 HydrophobicContact CD2-CG2 3.74Å; L694-V718 HydrophobicContact CG-CG1 4.49Å; L694-V718 HydrophobicContact CG-CG2 4.05Å |
| 695 | Q | 93.9 | Very high | 90.6 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 174.1 | -73.8 | 170.7 | -5 | 0 | 0 | 112.4 | K691 G692 G699 Y715 V718 Y719 | K691-Q695 VanDerWaalsContact O-CG 3.27Å; K691-Q695 WeakPolarHBondContact O-CG 3.29Å; K691-Q695 PolarHBondContact O-N 3.47Å; G692-Q695 WeakPolarHBondContact O-CB 3.32Å; G692-Q695 PolarHBondContact O-N 3.39Å; Q695-G699 PolarHBondContact O-N 2.94Å; Q695-Y715 PolarHBondContact O-OH 3.33Å; Q695-V718 HydrophobicContact CG-CG1 3.57Å; Q695-Y719 VanDerWaalsContact CD-CE1 3.47Å; Q695-Y719 HydrophobicContact CG-CE1 4Å; Q695-Y719 HydrophobicContact CG-CE2 4.43Å |
| 696 | E | 95.1 | Very high | 90.8 | Very high | 118 Ų | 118 | 46.5 Ų | 46.5 | 55% | 0.551 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -64 | -45.3 | 174.5 | -172.3 | -172.6 | 159.9 | 0 | 0 | 111.4 | G692 K693 L694 F698 G699 R700 | G692-E696 PolarHBondContact O-N 2.98Å; G692-E696 VanDerWaalsContact O-N 3.15Å; K693-E696 PolarHBondContact O-N 3.17Å; L694-E696 VanDerWaalsContact C-N 3.33Å; L694-E696 PolarHBondContact O-N 2.92Å; E696-F698 PolarHBondContact O-N 3.16Å; E696-G699 PolarHBondContact O-N 3.06Å; E696-G699 VanDerWaalsContact O-N 3.17Å; E696-R700 PolarHBondContact O-N 3.07Å |
| 697 | L | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.8 | -53.2 | 175.9 | 178.2 | 61.7 | 0 | 0 | 0 | 111.6 | I649 Y652 H653 L656 L668 L671 K693 L694 G699 R700 V701 | I649-L697 HydrophobicContact CG1-CD2 4.38Å; I649-L697 HydrophobicContact CG2-CB 4.32Å; I649-L697 HydrophobicContact CG2-CD2 4.23Å; Y652-L697 HydrophobicContact CD1-CD1 3.73Å; Y652-L697 HydrophobicContact CD1-CD2 4.5Å; Y652-L697 HydrophobicContact CD2-CD2 4.44Å; Y652-L697 HydrophobicContact CG-CD1 3.99Å; Y652-L697 HydrophobicContact CG-CD2 4.05Å; H653-L697 WeakPolarHBondContact CE1-CA 3.3Å; L656-L697 HydrophobicContact CD1-CD1 4.16Å; L668-L697 HydrophobicContact CD2-CD2 4.02Å; L671-L697 HydrophobicContact CD1-CD2 4.26Å; K693-L697 PolarHBondContact O-N 2.64Å; L694-L697 HydrophobicContact CD1-CD2 4.2Å; L694-L697 PolarHBondContact O-N 3.28Å; L697-G699 VanDerWaalsContact C-N 3.27Å; L697-G699 PolarHBondContact O-N 2.88Å; L697-R700 PolarHBondContact O-N 3.26Å; L697-R700 VanDerWaalsContact O-N 3.1Å; L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.19Å; L697-V701 WeakPolarHBondContact O-CG2 3.29Å; L697-V701 PolarHBondContact O-N 3.05Å |
| 698 | F | 94.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -34.7 | 178.3 | -85.8 | -77.1 | 0 | 0 | 0 | 112.7 | L668 V672 L694 E696 R700 V701 T702 I711 L714 Y715 V718 | L668-F698 HydrophobicContact CB-CE1 4.4Å; L668-F698 HydrophobicContact CB-CZ 4.04Å; L668-F698 HydrophobicContact CD1-CE1 4.06Å; L668-F698 HydrophobicContact CD1-CZ 4.46Å; L668-F698 HydrophobicContact CD2-CE1 4.2Å; L668-F698 HydrophobicContact CD2-CE2 4.39Å; L668-F698 HydrophobicContact CD2-CZ 3.96Å; L668-F698 HydrophobicContact CG-CE1 4.46Å; L668-F698 HydrophobicContact CG-CZ 4.38Å; V672-F698 HydrophobicContact CG2-CE2 3.47Å; V672-F698 VanDerWaalsContact CG2-CE2 3.47Å; V672-F698 HydrophobicContact CG2-CZ 3.51Å; L694-F698 HydrophobicContact CD1-CD2 3.97Å; L694-F698 HydrophobicContact CD1-CE2 3.69Å; L694-F698 HydrophobicContact CD2-CE2 4.33Å; L694-F698 HydrophobicContact CG-CD2 3.94Å; L694-F698 HydrophobicContact CG-CE2 3.84Å; L694-F698 WeakPolarHBondContact O-CD2 3.24Å; L694-F698 PolarHBondContact O-N 3.03Å; E696-F698 PolarHBondContact O-N 3.16Å; F698-R700 VanDerWaalsContact C-N 3.34Å; F698-R700 PolarHBondContact O-N 3.32Å; F698-V701 PolarHBondContact O-N 3.18Å; F698-T702 VanDerWaalsContact O-CB 3.26Å; F698-T702 WeakPolarHBondContact O-CB 3.45Å; F698-T702 WeakPolarHBondContact O-CG2 3.45Å; F698-T702 PolarHBondContact O-N 3.28Å; F698-T702 PolarHBondContact O-OG1 2.79Å; F698-I711 HydrophobicContact CD1-CG2 4.05Å; F698-I711 HydrophobicContact CE1-CG2 4.09Å; F698-L714 HydrophobicContact CE1-CB 3.63Å; F698-L714 HydrophobicContact CZ-CB 3.62Å; F698-Y715 HydrophobicContact CB-CD1 3.95Å; F698-Y715 HydrophobicContact CB-CD2 3.21Å; F698-Y715 HydrophobicContact CB-CE1 4.16Å; F698-Y715 HydrophobicContact CB-CE2 3.44Å; F698-Y715 VanDerWaalsContact CB-CE2 3.44Å; F698-Y715 HydrophobicContact CB-CG 3.47Å; F698-Y715 VanDerWaalsContact CB-CG 3.47Å; F698-Y715 HydrophobicContact CD1-CD2 4.44Å; F698-Y715 HydrophobicContact CD1-CG 4.18Å; F698-Y715 HydrophobicContact CD2-CD2 4.26Å; F698-Y715 AromaticContact CG-CD2 3.76Å; F698-Y715 HydrophobicContact CG-CD2 3.76Å; F698-Y715 HydrophobicContact CG-CE2 4.4Å; F698-Y715 AromaticContact CG-CG 3.94Å; F698-Y715 HydrophobicContact CG-CG 3.94Å; F698-V718 HydrophobicContact CD2-CG2 3.95Å; F698-V718 HydrophobicContact CE2-CG2 3.76Å |
| 699 | G | 92.9 | Very high | 91.1 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 28% | 0.278 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q695 E696 L697 T702 S703 | Q695-G699 PolarHBondContact O-N 2.94Å; E696-G699 PolarHBondContact O-N 3.06Å; E696-G699 VanDerWaalsContact O-N 3.17Å; L697-G699 VanDerWaalsContact C-N 3.27Å; L697-G699 PolarHBondContact O-N 2.88Å; G699-T702 PolarHBondContact O-OG1 3.3Å; G699-S703 PolarHBondContact O-N 3.36Å |
| 700 | R | 93.6 | Very high | 91.4 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 26% | 0.264 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.6 | -39.3 | 175.7 | -73.7 | -177.5 | 62.2 | -171.3 | 2.8 | 113.3 | H653 L656 D657 E696 L697 F698 S703 R704 | H653-R700 PolarHBondContact ND1-NH1 3.25Å; L656-R700 HydrophobicContact CD1-CB 4.34Å; D657-R700 IonicContact OD1-CZ 2.68Å; D657-R700 IonicContact OD1-NH2 3.18Å; D657-R700 PolarHBondContact OD1-NH2 3.32Å; D657-R700 IonicContact OD2-CZ 3.92Å; D657-R700 IonicContact OD2-NH1 3.19Å; D657-R700 IonicContact OD2-NH2 3.03Å; D657-R700 PolarHBondContact OD2-NH2 3.31Å; E696-R700 PolarHBondContact O-N 3.07Å; L697-R700 PolarHBondContact O-N 3.26Å; L697-R700 VanDerWaalsContact O-N 3.1Å; F698-R700 VanDerWaalsContact C-N 3.34Å; F698-R700 PolarHBondContact O-N 3.32Å; R700-S703 PolarHBondContact O-OG 2.85Å; R700-R704 PolarHBondContact O-N 2.94Å |
| 701 | V | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.3 | -47.8 | 177.5 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | Y652 L656 L668 L697 F698 S703 R704 V705 I711 | Y652-V701 HydrophobicContact CD1-CG2 4.17Å; Y652-V701 HydrophobicContact CE1-CG2 3.66Å; L656-V701 HydrophobicContact CD1-CG2 3.81Å; L668-V701 HydrophobicContact CD1-CG1 4.34Å; L697-V701 HydrophobicContact CD1-CG2 3.99Å; L697-V701 HydrophobicContact CG-CG2 4.19Å; L697-V701 WeakPolarHBondContact O-CG2 3.29Å; L697-V701 PolarHBondContact O-N 3.05Å; F698-V701 PolarHBondContact O-N 3.18Å; V701-S703 VanDerWaalsContact C-N 3.3Å; V701-S703 PolarHBondContact O-N 3.48Å; V701-R704 PolarHBondContact O-N 3.43Å; V701-R704 VanDerWaalsContact O-N 3.16Å; V701-V705 PolarHBondContact O-N 3.38Å; V701-I711 HydrophobicContact CG1-CD1 4.07Å; V701-I711 HydrophobicContact CG1-CG2 3.77Å |
| 702 | T | 91.4 | Very high | 91.7 | Very high | 9 Ų | 9 | 42 Ų | 42 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.1 | -18.8 | -174.7 | 59.6 | 0 | 0 | 0 | 0 | 113.8 | F698 G699 T706 I711 W712 Y715 | F698-T702 VanDerWaalsContact O-CB 3.26Å; F698-T702 WeakPolarHBondContact O-CB 3.45Å; F698-T702 WeakPolarHBondContact O-CG2 3.45Å; F698-T702 PolarHBondContact O-N 3.28Å; F698-T702 PolarHBondContact O-OG1 2.79Å; G699-T702 PolarHBondContact O-OG1 3.3Å; T702-T706 WeakPolarHBondContact O-CG2 3.46Å; T702-I711 HydrophobicContact CG2-CG2 3.86Å; T702-W712 HydrophobicContact CG2-CD2 3.99Å; T702-W712 HydrophobicContact CG2-CE3 3.81Å; T702-W712 HydrophobicContact CG2-CH2 3.97Å; T702-W712 HydrophobicContact CG2-CZ2 4.17Å; T702-W712 HydrophobicContact CG2-CZ3 3.79Å; T702-Y715 HydrophobicContact CG2-CD1 3.99Å |
| 703 | S | 90.8 | Very high | 91.7 | Very high | 83 Ų | 83 | 42.1 Ų | 42.1 | 58% | 0.58 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -74.1 | -30 | 169.6 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | G699 R700 V701 | G699-S703 PolarHBondContact O-N 3.36Å; R700-S703 PolarHBondContact O-OG 2.85Å; V701-S703 VanDerWaalsContact C-N 3.3Å; V701-S703 PolarHBondContact O-N 3.48Å |
| 704 | R | 88.6 | Confident | 91.8 | Very high | 84 Ų | 84 | 38.2 Ų | 38.2 | 32% | 0.317 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -91.7 | -35.9 | 177.3 | -61.7 | -168.8 | -175.9 | -165.8 | 11.8 | 113.4 | L656 D657 R700 V701 | L656-R704 PolarHBondContact O-NH1 3.39Å; D657-R704 IonicContact OD1-NH2 3.91Å; D657-R704 PolarHBondContact OD1-NH2 2.93Å; R700-R704 PolarHBondContact O-N 2.94Å; V701-R704 PolarHBondContact O-N 3.43Å; V701-R704 VanDerWaalsContact O-N 3.16Å |
| 705 | V | 87.1 | Confident | 91.8 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | trans | -116 | 89.7 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | K663 V701 D708 I711 | K663-V705 HydrophobicContact CB-CG2 4.42Å; K663-V705 HydrophobicContact CD-CG1 4.18Å; V701-V705 PolarHBondContact O-N 3.38Å; V705-D708 HydrophobicContact CG1-CB 3.74Å; V705-I711 HydrophobicContact CB-CD1 4.43Å; V705-I711 HydrophobicContact CG1-CD1 3.99Å | ||
| 706 | T | 87.3 | Confident | 91.7 | Very high | 82 Ų | 82 | 37.7 Ų | 37.7 | 50% | 0.503 | 20% | 0.197 | S | C | . | . | trans | -90.7 | -18.1 | -173.1 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | T702 W712 C743 | T702-T706 WeakPolarHBondContact O-CG2 3.46Å; T706-W712 PolarHBondContact O-NE1 3.43Å; T706-C743 PolarHBondContact O-SG 3.43Å; T706-C743 VanDerWaalsContact O-SG 3.38Å | ||
| 707 | N | 87.2 | Confident | 91.5 | Very high | 127 Ų | 127 | 35.4 Ų | 35.4 | 68% | 0.679 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -108.5 | 13.8 | -165.7 | 34.4 | -15.7 | 0 | 0 | 0 | 113.8 | ||
| 708 | D | 88.3 | Confident | 91.4 | Very high | 28 Ų | 28 | 35.6 Ų | 35.6 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | trans | -107.8 | 105.2 | 177.4 | -161.5 | -46 | 0 | 0 | 0 | 110.7 | K663 V705 E710 I711 W712 | K663-D708 IonicContact NZ-OD2 3.8Å; K663-D708 PolarHBondContact NZ-OD2 2.9Å; V705-D708 HydrophobicContact CG1-CB 3.74Å; D708-E710 VanDerWaalsContact C-N 3.25Å; D708-E710 PolarHBondContact O-N 3.09Å; D708-E710 PolarHBondContact OD1-N 3.01Å; D708-I711 HydrophobicContact CB-CB 4.35Å; D708-I711 HydrophobicContact CB-CD1 3.89Å; D708-I711 HydrophobicContact CB-CG1 4.05Å; D708-I711 PolarHBondContact O-N 3.12Å; D708-W712 VanDerWaalsContact O-CD1 3.23Å; D708-W712 PolarHBondContact O-N 3.44Å | ||
| 709 | G | 88.5 | Confident | 91.1 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 6% | 0.062 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -28.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R713 A740 | G709-R713 WeakPolarHBondContact O-CG 3.2Å; G709-R713 PolarHBondContact O-N 3Å; G709-R713 VanDerWaalsContact O-N 3.15Å; G709-A740 WeakPolarHBondContact O-CB 3.23Å |
| 710 | E | 91.2 | Very high | 90.7 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.7 | -40.9 | -179.2 | -172.9 | 68.4 | 172.4 | 0 | 0 | 111.6 | V665 K669 D708 W712 R713 L714 | V665-E710 HydrophobicContact CG1-CB 4.46Å; V665-E710 HydrophobicContact CG1-CG 3.74Å; K669-E710 WeakPolarHBondContact CE-OE1 3.24Å; K669-E710 IonicContact NZ-OE1 3.89Å; K669-E710 PolarHBondContact NZ-OE1 3.34Å; D708-E710 VanDerWaalsContact C-N 3.25Å; D708-E710 PolarHBondContact O-N 3.09Å; D708-E710 PolarHBondContact OD1-N 3.01Å; E710-W712 VanDerWaalsContact C-N 3.32Å; E710-W712 PolarHBondContact O-N 3.41Å; E710-R713 WeakPolarHBondContact O-CB 3.45Å; E710-R713 PolarHBondContact O-N 3.17Å; E710-R713 IonicContact OE2-CZ 2.76Å; E710-R713 IonicContact OE2-NE 3.44Å; E710-R713 PolarHBondContact OE2-NE 2.93Å; E710-R713 IonicContact OE2-NH2 3.9Å; E710-R713 PolarHBondContact OE2-NH2 3.47Å; E710-L714 WeakPolarHBondContact O-CG 3.35Å; E710-L714 PolarHBondContact O-N 2.84Å |
| 711 | I | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.3 | -42.1 | 177 | -62.1 | -179.3 | 0 | 0 | 0 | 110.6 | K663 V665 L668 F698 V701 T702 V705 D708 R713 L714 Y715 | K663-I711 HydrophobicContact CB-CD1 4.45Å; V665-I711 HydrophobicContact CG2-CD1 4.35Å; V665-I711 HydrophobicContact CG2-CG1 4.13Å; L668-I711 HydrophobicContact CD1-CD1 4.41Å; L668-I711 HydrophobicContact CD1-CG1 4.27Å; L668-I711 HydrophobicContact CD1-CG2 4.32Å; F698-I711 HydrophobicContact CD1-CG2 4.05Å; F698-I711 HydrophobicContact CE1-CG2 4.09Å; V701-I711 HydrophobicContact CG1-CD1 4.07Å; V701-I711 HydrophobicContact CG1-CG2 3.77Å; T702-I711 HydrophobicContact CG2-CG2 3.86Å; V705-I711 HydrophobicContact CB-CD1 4.43Å; V705-I711 HydrophobicContact CG1-CD1 3.99Å; D708-I711 HydrophobicContact CB-CB 4.35Å; D708-I711 HydrophobicContact CB-CD1 3.89Å; D708-I711 HydrophobicContact CB-CG1 4.05Å; D708-I711 PolarHBondContact O-N 3.12Å; I711-R713 VanDerWaalsContact C-N 3.33Å; I711-R713 PolarHBondContact O-N 3.4Å; I711-L714 PolarHBondContact O-N 3.45Å; I711-Y715 PolarHBondContact O-N 3.3Å |
| 712 | W | 93.9 | Very high | 89.5 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 5% | 0.045 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.5 | -36.4 | 175.8 | -75.6 | 114.6 | 0 | 0 | 0 | 112.9 | T702 T706 D708 E710 Y715 A716 C736 K739 A740 | T702-W712 HydrophobicContact CG2-CD2 3.99Å; T702-W712 HydrophobicContact CG2-CE3 3.81Å; T702-W712 HydrophobicContact CG2-CH2 3.97Å; T702-W712 HydrophobicContact CG2-CZ2 4.17Å; T702-W712 HydrophobicContact CG2-CZ3 3.79Å; T706-W712 PolarHBondContact O-NE1 3.43Å; D708-W712 VanDerWaalsContact O-CD1 3.23Å; D708-W712 PolarHBondContact O-N 3.44Å; E710-W712 VanDerWaalsContact C-N 3.32Å; E710-W712 PolarHBondContact O-N 3.41Å; W712-Y715 HydrophobicContact CE3-CD1 4.17Å; W712-Y715 HydrophobicContact CZ3-CD1 4.06Å; W712-Y715 HydrophobicContact CZ3-CE1 4.46Å; W712-Y715 PolarHBondContact O-N 2.9Å; W712-A716 PolarHBondContact O-N 3.48Å; W712-C736 HydrophobicContact CE3-CB 4.18Å; W712-K739 HydrophobicContact CD2-CB 3.84Å; W712-K739 HydrophobicContact CD2-CD 4.15Å; W712-K739 HydrophobicContact CE3-CB 4.2Å; W712-K739 HydrophobicContact CE3-CD 4Å; W712-K739 HydrophobicContact CG-CB 4.11Å; W712-K739 HydrophobicContact CH2-CD 3.38Å; W712-K739 HydrophobicContact CZ2-CB 4.43Å; W712-K739 HydrophobicContact CZ2-CD 3.52Å; W712-K739 HydrophobicContact CZ3-CD 3.63Å; W712-A740 HydrophobicContact CB-CB 3.64Å |
| 713 | R | 92.5 | Very high | 89 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -45 | 173.8 | -76 | -174.9 | -72 | -89.8 | 5.2 | 111.9 | G709 E710 I711 Y715 A716 Q717 L737 A740 D744 R763 | G709-R713 WeakPolarHBondContact O-CG 3.2Å; G709-R713 PolarHBondContact O-N 3Å; G709-R713 VanDerWaalsContact O-N 3.15Å; E710-R713 WeakPolarHBondContact O-CB 3.45Å; E710-R713 PolarHBondContact O-N 3.17Å; E710-R713 IonicContact OE2-CZ 2.76Å; E710-R713 IonicContact OE2-NE 3.44Å; E710-R713 PolarHBondContact OE2-NE 2.93Å; E710-R713 IonicContact OE2-NH2 3.9Å; E710-R713 PolarHBondContact OE2-NH2 3.47Å; I711-R713 VanDerWaalsContact C-N 3.33Å; I711-R713 PolarHBondContact O-N 3.4Å; R713-Y715 PolarHBondContact O-N 3.08Å; R713-A716 WeakPolarHBondContact O-CB 3.37Å; R713-A716 PolarHBondContact O-N 3.1Å; R713-A716 VanDerWaalsContact O-N 3.17Å; R713-Q717 PolarHBondContact O-N 3.19Å; R713-L737 HydrophobicContact CG-CD2 4.38Å; R713-A740 HydrophobicContact CG-CB 3.85Å; R713-D744 IonicContact CZ-OD1 2.75Å; R713-D744 IonicContact CZ-OD2 2.72Å; R713-D744 VanDerWaalsContact NH1-CG 3.28Å; R713-D744 IonicContact NH1-OD1 3.2Å; R713-D744 PolarHBondContact NH1-OD1 3.32Å; R713-D744 IonicContact NH1-OD2 2.82Å; R713-D744 PolarHBondContact NH1-OD2 3.26Å; R713-D744 IonicContact NH2-OD1 2.78Å; R713-R763 VanDerWaalsContact NH1-NH1 3.19Å |
| 714 | L | 94.3 | Very high | 88.6 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.6 | -39.2 | 175.1 | -68.8 | 172.2 | 0 | 0 | 0 | 111.2 | V665 L668 K669 V672 F698 E710 I711 Q717 V718 | V665-L714 HydrophobicContact CG1-CD1 4.17Å; L668-L714 HydrophobicContact CB-CD1 4.05Å; K669-L714 HydrophobicContact CG-CD1 3.72Å; K669-L714 HydrophobicContact CG-CD2 3.77Å; K669-L714 HydrophobicContact CG-CG 4.36Å; V672-L714 HydrophobicContact CG2-CB 4.24Å; V672-L714 HydrophobicContact CG2-CD2 4.45Å; F698-L714 HydrophobicContact CE1-CB 3.63Å; F698-L714 HydrophobicContact CZ-CB 3.62Å; E710-L714 WeakPolarHBondContact O-CG 3.35Å; E710-L714 PolarHBondContact O-N 2.84Å; I711-L714 PolarHBondContact O-N 3.45Å; L714-Q717 WeakPolarHBondContact O-CB 3.2Å; L714-Q717 PolarHBondContact O-N 3.3Å; L714-V718 WeakPolarHBondContact O-CG2 3.37Å; L714-V718 PolarHBondContact O-N 2.87Å |
| 715 | Y | 94.7 | Very high | 88.2 | Confident | 28 Ų | 28 | 46 Ų | 46 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -42.2 | 175.4 | -166.4 | -168.2 | 0 | 0 | 0 | 112.5 | Q695 F698 T702 I711 W712 R713 Q717 V718 Y719 C736 | Q695-Y715 PolarHBondContact O-OH 3.33Å; F698-Y715 HydrophobicContact CB-CD1 3.95Å; F698-Y715 HydrophobicContact CB-CD2 3.21Å; F698-Y715 HydrophobicContact CB-CE1 4.16Å; F698-Y715 HydrophobicContact CB-CE2 3.44Å; F698-Y715 VanDerWaalsContact CB-CE2 3.44Å; F698-Y715 HydrophobicContact CB-CG 3.47Å; F698-Y715 VanDerWaalsContact CB-CG 3.47Å; F698-Y715 HydrophobicContact CD1-CD2 4.44Å; F698-Y715 HydrophobicContact CD1-CG 4.18Å; F698-Y715 HydrophobicContact CD2-CD2 4.26Å; F698-Y715 AromaticContact CG-CD2 3.76Å; F698-Y715 HydrophobicContact CG-CD2 3.76Å; F698-Y715 HydrophobicContact CG-CE2 4.4Å; F698-Y715 AromaticContact CG-CG 3.94Å; F698-Y715 HydrophobicContact CG-CG 3.94Å; T702-Y715 HydrophobicContact CG2-CD1 3.99Å; I711-Y715 PolarHBondContact O-N 3.3Å; W712-Y715 HydrophobicContact CE3-CD1 4.17Å; W712-Y715 HydrophobicContact CZ3-CD1 4.06Å; W712-Y715 HydrophobicContact CZ3-CE1 4.46Å; W712-Y715 PolarHBondContact O-N 2.9Å; R713-Y715 PolarHBondContact O-N 3.08Å; Y715-Q717 PolarHBondContact O-N 3.18Å; Y715-V718 PolarHBondContact O-N 3.3Å; Y715-Y719 HydrophobicContact CD2-CD2 4.15Å; Y715-Y719 AromaticContact CD2-CE2 3.85Å; Y715-Y719 HydrophobicContact CD2-CE2 3.85Å; Y715-Y719 HydrophobicContact CE2-CD2 4.1Å; Y715-Y719 AromaticContact CE2-CE2 3.34Å; Y715-Y719 HydrophobicContact CE2-CE2 3.34Å; Y715-Y719 AromaticContact CZ-CE2 3.8Å; Y715-C736 WeakPolarHBondContact CD1-SG 3.34Å |
| 716 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.9 | -36 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W712 R713 V718 Y719 G720 N721 A733 C736 L737 | W712-A716 PolarHBondContact O-N 3.48Å; R713-A716 WeakPolarHBondContact O-CB 3.37Å; R713-A716 PolarHBondContact O-N 3.1Å; R713-A716 VanDerWaalsContact O-N 3.17Å; A716-V718 VanDerWaalsContact C-N 3.34Å; A716-V718 PolarHBondContact O-N 2.91Å; A716-Y719 CarbonylContact O-C 3.25Å; A716-Y719 WeakPolarHBondContact O-CA 3.27Å; A716-Y719 PolarHBondContact O-N 3.35Å; A716-Y719 VanDerWaalsContact O-N 3.09Å; A716-G720 PolarHBondContact O-N 3.45Å; A716-N721 PolarHBondContact O-N 3.48Å; A716-N721 PolarHBondContact O-OD1 3.44Å; A716-A733 HydrophobicContact CB-CB 4.4Å; A716-C736 HydrophobicContact CB-CB 3.88Å; A716-L737 HydrophobicContact CB-CD1 4.38Å; A716-L737 HydrophobicContact CB-CD2 3.72Å; A716-L737 HydrophobicContact CB-CG 3.61Å |
| 717 | Q | 92 | Very high | 87.7 | Confident | 70 Ų | 70 | 51 Ų | 51 | 33% | 0.327 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 178.6 | -156.8 | -172.2 | -14.4 | 0 | 0 | 111.7 | V672 I676 R713 L714 Y715 Y719 G720 N721 | V672-Q717 HydrophobicContact CG1-CB 4.07Å; V672-Q717 HydrophobicContact CG1-CG 4.12Å; I676-Q717 HydrophobicContact CD1-CB 4.14Å; I676-Q717 HydrophobicContact CD1-CG 3.53Å; I676-Q717 WeakPolarHBondContact CD1-O 3.23Å; R713-Q717 PolarHBondContact O-N 3.19Å; L714-Q717 WeakPolarHBondContact O-CB 3.2Å; L714-Q717 PolarHBondContact O-N 3.3Å; Y715-Q717 PolarHBondContact O-N 3.18Å; Q717-Y719 PolarHBondContact O-N 3.33Å; Q717-G720 WeakPolarHBondContact O-CA 3.4Å; Q717-G720 PolarHBondContact O-N 2.9Å; Q717-N721 VanDerWaalsContact CA-OD1 3.25Å; Q717-N721 WeakPolarHBondContact CA-OD1 3.43Å; Q717-N721 PolarHBondContact N-OD1 3.3Å |
| 718 | V | 91.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -29.3 | 174.2 | 179.9 | 0 | 0 | 0 | 0 | 112 | V672 K691 L694 Q695 F698 L714 Y715 A716 G720 | V672-V718 HydrophobicContact CG1-CG2 4.38Å; V672-V718 HydrophobicContact CG2-CG2 3.72Å; K691-V718 WeakPolarHBondContact CE-O 3.46Å; K691-V718 HydrophobicContact CG-CG1 4.2Å; L694-V718 HydrophobicContact CD2-CG1 4.43Å; L694-V718 HydrophobicContact CD2-CG2 3.74Å; L694-V718 HydrophobicContact CG-CG1 4.49Å; L694-V718 HydrophobicContact CG-CG2 4.05Å; Q695-V718 HydrophobicContact CG-CG1 3.57Å; F698-V718 HydrophobicContact CD2-CG2 3.95Å; F698-V718 HydrophobicContact CE2-CG2 3.76Å; L714-V718 WeakPolarHBondContact O-CG2 3.37Å; L714-V718 PolarHBondContact O-N 2.87Å; Y715-V718 PolarHBondContact O-N 3.3Å; A716-V718 VanDerWaalsContact C-N 3.34Å; A716-V718 PolarHBondContact O-N 2.91Å; V718-G720 VanDerWaalsContact C-N 3.31Å |
| 719 | Y | 89.3 | Confident | 87.4 | Confident | 10 Ų | 10 | 50.5 Ų | 50.5 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 9.5 | 172.7 | -72.8 | -66.1 | 0 | 0 | 0 | 113.8 | Q695 Y715 A716 Q717 E729 K732 | Q695-Y719 VanDerWaalsContact CD-CE1 3.47Å; Q695-Y719 HydrophobicContact CG-CE1 4Å; Q695-Y719 HydrophobicContact CG-CE2 4.43Å; Y715-Y719 HydrophobicContact CD2-CD2 4.15Å; Y715-Y719 AromaticContact CD2-CE2 3.85Å; Y715-Y719 HydrophobicContact CD2-CE2 3.85Å; Y715-Y719 HydrophobicContact CE2-CD2 4.1Å; Y715-Y719 AromaticContact CE2-CE2 3.34Å; Y715-Y719 HydrophobicContact CE2-CE2 3.34Å; Y715-Y719 AromaticContact CZ-CE2 3.8Å; A716-Y719 CarbonylContact O-C 3.25Å; A716-Y719 WeakPolarHBondContact O-CA 3.27Å; A716-Y719 PolarHBondContact O-N 3.35Å; A716-Y719 VanDerWaalsContact O-N 3.09Å; Q717-Y719 PolarHBondContact O-N 3.33Å; Y719-E729 WeakPolarHBondContact CB-O 3.12Å; Y719-E729 HydrophobicContact CD1-CB 3.89Å; Y719-E729 HydrophobicContact CD1-CG 3.87Å; Y719-E729 HydrophobicContact CE1-CG 4.42Å; Y719-K732 HydrophobicContact CD1-CB 4.39Å; Y719-K732 HydrophobicContact CD2-CB 4.01Å; Y719-K732 HydrophobicContact CE1-CB 4.4Å; Y719-K732 HydrophobicContact CE1-CD 3.9Å; Y719-K732 HydrophobicContact CE2-CB 3.98Å; Y719-K732 HydrophobicContact CE2-CD 4.06Å; Y719-K732 HydrophobicContact CG-CB 4.22Å |
| 720 | G | 84.8 | Confident | 87.3 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 17.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | A716 Q717 V718 G722 Q723 | A716-G720 PolarHBondContact O-N 3.45Å; Q717-G720 WeakPolarHBondContact O-CA 3.4Å; Q717-G720 PolarHBondContact O-N 2.9Å; V718-G720 VanDerWaalsContact C-N 3.31Å; G720-G722 PolarHBondContact O-N 3.14Å; G720-G722 VanDerWaalsContact O-N 3.09Å; G720-Q723 WeakPolarHBondContact O-CA 3.42Å; G720-Q723 WeakPolarHBondContact O-CB 3.36Å; G720-Q723 PolarHBondContact O-N 3.49Å |
| 721 | N | 84.3 | Confident | 87 | Confident | 67 Ų | 67 | 50.9 Ų | 50.9 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 34.8 | 177 | -79.6 | -20 | 0 | 0 | 0 | 114.3 | A716 Q717 Q723 V770 | A716-N721 PolarHBondContact O-N 3.48Å; A716-N721 PolarHBondContact O-OD1 3.44Å; Q717-N721 VanDerWaalsContact CA-OD1 3.25Å; Q717-N721 WeakPolarHBondContact CA-OD1 3.43Å; Q717-N721 PolarHBondContact N-OD1 3.3Å; N721-Q723 VanDerWaalsContact C-N 3.3Å; N721-Q723 PolarHBondContact O-N 3.01Å; N721-V770 WeakPolarHBondContact O-CG2 3.41Å |
| 722 | G | 77.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 4.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G720 N730 K773 | G720-G722 PolarHBondContact O-N 3.14Å; G720-G722 VanDerWaalsContact O-N 3.09Å; G722-N730 WeakPolarHBondContact CA-OD1 3.42Å; G722-N730 PolarHBondContact O-OD1 3.04Å; G722-K773 VanDerWaalsContact O-CD 3.32Å; G722-K773 WeakPolarHBondContact O-CD 3.21Å; G722-K773 WeakPolarHBondContact O-CE 3.47Å; G722-K773 PolarHBondContact O-NZ 3.47Å |
| 723 | Q | 80.8 | Confident | 86.5 | Confident | 165 Ų | 165 | 55.1 Ų | 55.1 | 77% | 0.771 | 27% | 0.274 | S | S | * | . | trans | -98.8 | 3.7 | 176.4 | -59.9 | -163.5 | -1.5 | 0 | 0 | 114 | G720 N721 N730 | G720-Q723 WeakPolarHBondContact O-CA 3.42Å; G720-Q723 WeakPolarHBondContact O-CB 3.36Å; G720-Q723 PolarHBondContact O-N 3.49Å; N721-Q723 VanDerWaalsContact C-N 3.3Å; N721-Q723 PolarHBondContact O-N 3.01Å; Q723-N730 PolarHBondContact N-OD1 3.49Å | ||
| 724 | S | 82.2 | Confident | 86.4 | Confident | 21 Ų | 21 | 53.8 Ų | 53.8 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | trans | -66.2 | 151.4 | 177.8 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | K726 E729 N730 | S724-K726 PolarHBondContact OG-N 2.99Å; S724-E729 WeakPolarHBondContact CB-OE2 3.47Å; S724-E729 PolarHBondContact OG-OE2 2.89Å; S724-N730 WeakPolarHBondContact CB-OD1 3.45Å; S724-N730 PolarHBondContact N-OD1 3.2Å; S724-N730 PolarHBondContact O-ND2 3.46Å; S724-N730 PolarHBondContact O-OD1 3.43Å | ||
| 725 | E | 79.6 | Confident | 86.2 | Confident | 195 Ų | 195 | 58.1 Ų | 58.1 | 91% | 0.911 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -70.2 | -23 | 171.4 | -64.8 | -177.3 | 170 | 0 | 0 | 111.7 | ||
| 726 | K | 83.3 | Confident | 86 | Confident | 132 Ų | 132 | 57.1 Ų | 57.1 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -88.2 | 122.1 | -179 | -65.6 | -177.2 | -177.9 | 179.7 | 0 | 111 | S724 D728 E729 N730 | S724-K726 PolarHBondContact OG-N 2.99Å; K726-D728 VanDerWaalsContact C-N 3.32Å; K726-D728 PolarHBondContact O-N 3.47Å; K726-E729 HydrophobicContact CB-CB 4.27Å; K726-E729 HydrophobicContact CB-CG 3.98Å; K726-E729 HydrophobicContact CD-CG 4.4Å; K726-E729 PolarHBondContact O-N 2.9Å; K726-N730 PolarHBondContact O-N 3.22Å; K726-N730 PolarHBondContact O-ND2 3.21Å |
| 727 | P | 80.9 | Confident | 86 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -56.7 | -42 | 178.6 | -25.6 | 34.4 | 0 | 0 | 0 | 113.5 | E729 N730 E731 N777 | P727-E729 VanDerWaalsContact C-N 3.33Å; P727-E729 PolarHBondContact O-N 3.15Å; P727-N730 WeakPolarHBondContact O-CB 3.21Å; P727-N730 PolarHBondContact O-N 3.13Å; P727-N730 VanDerWaalsContact O-N 3.14Å; P727-E731 PolarHBondContact O-N 3.27Å; P727-N777 HydrophobicContact CB-CB 4.32Å |
| 728 | D | 84 | Confident | 85.9 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 65% | 0.647 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.7 | -35.7 | -178.1 | -55.3 | -20.4 | 0 | 0 | 0 | 113 | K726 K732 | K726-D728 VanDerWaalsContact C-N 3.32Å; K726-D728 PolarHBondContact O-N 3.47Å; D728-K732 PolarHBondContact O-N 3.15Å; D728-K732 VanDerWaalsContact O-N 3.12Å |
| 729 | E | 85.8 | Confident | 85.8 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 11% | 0.112 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 176.1 | -67.2 | -166 | 162 | 0 | 0 | 110.7 | K691 Y719 S724 K726 P727 K732 A733 | K691-E729 IonicContact NZ-OE1 2.8Å; K691-E729 PolarHBondContact NZ-OE1 3.47Å; K691-E729 IonicContact NZ-OE2 3.76Å; K691-E729 PolarHBondContact NZ-OE2 3.42Å; Y719-E729 WeakPolarHBondContact CB-O 3.12Å; Y719-E729 HydrophobicContact CD1-CB 3.89Å; Y719-E729 HydrophobicContact CD1-CG 3.87Å; Y719-E729 HydrophobicContact CE1-CG 4.42Å; S724-E729 WeakPolarHBondContact CB-OE2 3.47Å; S724-E729 PolarHBondContact OG-OE2 2.89Å; K726-E729 HydrophobicContact CB-CB 4.27Å; K726-E729 HydrophobicContact CB-CG 3.98Å; K726-E729 HydrophobicContact CD-CG 4.4Å; K726-E729 PolarHBondContact O-N 2.9Å; P727-E729 VanDerWaalsContact C-N 3.33Å; P727-E729 PolarHBondContact O-N 3.15Å; E729-K732 PolarHBondContact O-N 2.84Å; E729-A733 WeakPolarHBondContact O-CB 3.47Å; E729-A733 PolarHBondContact O-N 2.97Å |
| 730 | N | 85.2 | Confident | 85.9 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 177.4 | -65.7 | -31.2 | 0 | 0 | 0 | 111.8 | G722 Q723 S724 K726 P727 A733 F734 C774 | G722-N730 WeakPolarHBondContact CA-OD1 3.42Å; G722-N730 PolarHBondContact O-OD1 3.04Å; Q723-N730 PolarHBondContact N-OD1 3.49Å; S724-N730 WeakPolarHBondContact CB-OD1 3.45Å; S724-N730 PolarHBondContact N-OD1 3.2Å; S724-N730 PolarHBondContact O-ND2 3.46Å; S724-N730 PolarHBondContact O-OD1 3.43Å; K726-N730 PolarHBondContact O-N 3.22Å; K726-N730 PolarHBondContact O-ND2 3.21Å; P727-N730 WeakPolarHBondContact O-CB 3.21Å; P727-N730 PolarHBondContact O-N 3.13Å; P727-N730 VanDerWaalsContact O-N 3.14Å; N730-A733 PolarHBondContact O-N 3.33Å; N730-F734 WeakPolarHBondContact O-CB 3.29Å; N730-F734 PolarHBondContact O-N 3.48Å; N730-C774 PolarHBondContact O-SG 2.87Å |
| 731 | E | 85.6 | Confident | 86 | Confident | 61 Ų | 61 | 59.8 Ų | 59.8 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 175.3 | -176.3 | 163.9 | -159.6 | 0 | 0 | 111.8 | P727 F734 Q735 K778 | P727-E731 PolarHBondContact O-N 3.27Å; E731-F734 WeakPolarHBondContact O-CB 3.38Å; E731-F734 PolarHBondContact O-N 2.81Å; E731-Q735 WeakPolarHBondContact O-CG 3.1Å; E731-Q735 PolarHBondContact O-N 3.47Å; E731-K778 WeakPolarHBondContact OE1-CE 3.47Å; E731-K778 IonicContact OE1-NZ 2.63Å; E731-K778 PolarHBondContact OE1-NZ 3.44Å |
| 732 | K | 87.7 | Confident | 86.2 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 173.4 | -75 | -169.5 | 177.3 | -176.4 | 0 | 112.4 | Y719 D728 E729 F734 Q735 C736 | Y719-K732 HydrophobicContact CD1-CB 4.39Å; Y719-K732 HydrophobicContact CD2-CB 4.01Å; Y719-K732 HydrophobicContact CE1-CB 4.4Å; Y719-K732 HydrophobicContact CE1-CD 3.9Å; Y719-K732 HydrophobicContact CE2-CB 3.98Å; Y719-K732 HydrophobicContact CE2-CD 4.06Å; Y719-K732 HydrophobicContact CG-CB 4.22Å; D728-K732 PolarHBondContact O-N 3.15Å; D728-K732 VanDerWaalsContact O-N 3.12Å; E729-K732 PolarHBondContact O-N 2.84Å; K732-F734 VanDerWaalsContact C-N 3.32Å; K732-F734 PolarHBondContact O-N 3.48Å; K732-Q735 PolarHBondContact O-N 2.87Å; K732-C736 PolarHBondContact O-N 2.79Å; K732-C736 PolarHBondContact O-SG 2.82Å |
| 733 | A | 88.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.7 | -43.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A716 E729 N730 Q735 C736 L737 | A716-A733 HydrophobicContact CB-CB 4.4Å; E729-A733 WeakPolarHBondContact O-CB 3.47Å; E729-A733 PolarHBondContact O-N 2.97Å; N730-A733 PolarHBondContact O-N 3.33Å; A733-Q735 PolarHBondContact O-N 2.98Å; A733-C736 PolarHBondContact O-N 3.5Å; A733-L737 WeakPolarHBondContact O-CG 3.33Å; A733-L737 PolarHBondContact O-N 3.09Å |
| 734 | F | 89.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 56.2 Ų | 56.2 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.3 | 173.9 | -99.1 | 0 | 0 | 0 | 112.6 | N730 E731 K732 C736 L737 S738 L767 V770 A771 M787 V791 | N730-F734 WeakPolarHBondContact O-CB 3.29Å; N730-F734 PolarHBondContact O-N 3.48Å; E731-F734 WeakPolarHBondContact O-CB 3.38Å; E731-F734 PolarHBondContact O-N 2.81Å; K732-F734 VanDerWaalsContact C-N 3.32Å; K732-F734 PolarHBondContact O-N 3.48Å; F734-C736 VanDerWaalsContact C-N 3.33Å; F734-C736 PolarHBondContact O-N 3.28Å; F734-L737 PolarHBondContact O-N 3.3Å; F734-S738 WeakPolarHBondContact CZ-OG 3.17Å; F734-S738 WeakPolarHBondContact O-CB 3.31Å; F734-S738 PolarHBondContact O-N 3.09Å; F734-S738 PolarHBondContact O-OG 3.15Å; F734-L767 HydrophobicContact CD2-CD1 3.65Å; F734-L767 HydrophobicContact CE2-CD1 3.56Å; F734-L767 HydrophobicContact CE2-CG 4.22Å; F734-V770 HydrophobicContact CB-CG1 3.99Å; F734-V770 HydrophobicContact CD2-CG1 4.36Å; F734-A771 HydrophobicContact CD2-CB 4.06Å; F734-A771 HydrophobicContact CE2-CB 3.61Å; F734-A771 HydrophobicContact CZ-CB 4.44Å; F734-M787 HydrophobicContact CD1-CE 3.89Å; F734-M787 HydrophobicContact CD1-CG 4.21Å; F734-M787 HydrophobicContact CD1-SD 4.1Å; F734-M787 HydrophobicContact CD2-SD 4.41Å; F734-M787 HydrophobicContact CE1-CE 4.03Å; F734-M787 HydrophobicContact CE1-CG 3.52Å; F734-M787 HydrophobicContact CE1-SD 4.02Å; F734-M787 HydrophobicContact CE2-CG 4.01Å; F734-M787 HydrophobicContact CE2-SD 4.34Å; F734-M787 HydrophobicContact CG-CE 4.47Å; F734-M787 HydrophobicContact CG-SD 4.31Å; F734-M787 HydrophobicContact CZ-CG 3.4Å; F734-M787 HydrophobicContact CZ-SD 4.14Å; F734-V791 HydrophobicContact CE2-CG2 3.73Å; F734-V791 HydrophobicContact CZ-CG2 3.87Å |
| 735 | Q | 90.2 | Very high | 86.8 | Confident | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 177 | -69.8 | 176.2 | 10.1 | 0 | 0 | 111.6 | E731 K732 A733 S738 K739 | E731-Q735 WeakPolarHBondContact O-CG 3.1Å; E731-Q735 PolarHBondContact O-N 3.47Å; K732-Q735 PolarHBondContact O-N 2.87Å; A733-Q735 PolarHBondContact O-N 2.98Å; Q735-S738 PolarHBondContact O-N 3.34Å; Q735-K739 WeakPolarHBondContact O-CG 3.35Å; Q735-K739 PolarHBondContact O-N 3.22Å; Q735-K739 VanDerWaalsContact O-N 3.11Å |
| 736 | C | 91.4 | Very high | 86.9 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 5% | 0.047 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.1 | -47.9 | 177.3 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | W712 Y715 A716 K732 A733 F734 S738 K739 A740 | W712-C736 HydrophobicContact CE3-CB 4.18Å; Y715-C736 WeakPolarHBondContact CD1-SG 3.34Å; A716-C736 HydrophobicContact CB-CB 3.88Å; K732-C736 PolarHBondContact O-N 2.79Å; K732-C736 PolarHBondContact O-SG 2.82Å; A733-C736 PolarHBondContact O-N 3.5Å; F734-C736 VanDerWaalsContact C-N 3.33Å; F734-C736 PolarHBondContact O-N 3.28Å; C736-S738 VanDerWaalsContact C-N 3.31Å; C736-S738 PolarHBondContact O-N 2.79Å; C736-K739 PolarHBondContact O-N 3.19Å; C736-K739 VanDerWaalsContact O-N 3.16Å; C736-A740 PolarHBondContact O-N 3.1Å |
| 737 | L | 90.9 | Very high | 86.6 | Confident | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | 177.1 | -69.1 | 171.4 | 0 | 0 | 0 | 112.2 | R713 A716 A733 F734 K739 A740 Y741 L767 V770 | R713-L737 HydrophobicContact CG-CD2 4.38Å; A716-L737 HydrophobicContact CB-CD1 4.38Å; A716-L737 HydrophobicContact CB-CD2 3.72Å; A716-L737 HydrophobicContact CB-CG 3.61Å; A733-L737 WeakPolarHBondContact O-CG 3.33Å; A733-L737 PolarHBondContact O-N 3.09Å; F734-L737 PolarHBondContact O-N 3.3Å; L737-K739 VanDerWaalsContact C-N 3.33Å; L737-K739 PolarHBondContact O-N 3.22Å; L737-A740 WeakPolarHBondContact O-CB 3.38Å; L737-A740 PolarHBondContact O-N 3.06Å; L737-Y741 WeakPolarHBondContact O-CB 3.12Å; L737-Y741 PolarHBondContact O-N 3.28Å; L737-L767 HydrophobicContact CB-CD1 3.66Å; L737-V770 HydrophobicContact CD1-CB 4.5Å; L737-V770 HydrophobicContact CD1-CG2 4.05Å |
| 738 | S | 89.8 | Confident | 85.7 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 174.6 | -65.1 | 0 | 0 | 0 | 0 | 112 | F734 Q735 C736 K742 | F734-S738 WeakPolarHBondContact CZ-OG 3.17Å; F734-S738 WeakPolarHBondContact O-CB 3.31Å; F734-S738 PolarHBondContact O-N 3.09Å; F734-S738 PolarHBondContact O-OG 3.15Å; Q735-S738 PolarHBondContact O-N 3.34Å; C736-S738 VanDerWaalsContact C-N 3.31Å; C736-S738 PolarHBondContact O-N 2.79Å; S738-K742 WeakPolarHBondContact O-CG 3.27Å; S738-K742 PolarHBondContact O-N 3.42Å; S738-K742 VanDerWaalsContact O-N 3.17Å |
| 739 | K | 90.5 | Very high | 84.9 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.8 | -40.3 | 174.1 | -72 | -178.8 | -178.7 | -179.9 | 0 | 112 | W712 Q735 C736 L737 Y741 K742 C743 | W712-K739 HydrophobicContact CD2-CB 3.84Å; W712-K739 HydrophobicContact CD2-CD 4.15Å; W712-K739 HydrophobicContact CE3-CB 4.2Å; W712-K739 HydrophobicContact CE3-CD 4Å; W712-K739 HydrophobicContact CG-CB 4.11Å; W712-K739 HydrophobicContact CH2-CD 3.38Å; W712-K739 HydrophobicContact CZ2-CB 4.43Å; W712-K739 HydrophobicContact CZ2-CD 3.52Å; W712-K739 HydrophobicContact CZ3-CD 3.63Å; Q735-K739 WeakPolarHBondContact O-CG 3.35Å; Q735-K739 PolarHBondContact O-N 3.22Å; Q735-K739 VanDerWaalsContact O-N 3.11Å; C736-K739 PolarHBondContact O-N 3.19Å; C736-K739 VanDerWaalsContact O-N 3.16Å; L737-K739 VanDerWaalsContact C-N 3.33Å; L737-K739 PolarHBondContact O-N 3.22Å; K739-Y741 PolarHBondContact O-N 3.39Å; K739-K742 PolarHBondContact O-N 3.48Å; K739-C743 PolarHBondContact O-N 3.44Å; K739-C743 PolarHBondContact O-SG 2.9Å |
| 740 | A | 90 | Very high | 84.6 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.6 | -48.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G709 W712 R713 C736 L737 K742 C743 D744 | G709-A740 WeakPolarHBondContact O-CB 3.23Å; W712-A740 HydrophobicContact CB-CB 3.64Å; R713-A740 HydrophobicContact CG-CB 3.85Å; C736-A740 PolarHBondContact O-N 3.1Å; L737-A740 WeakPolarHBondContact O-CB 3.38Å; L737-A740 PolarHBondContact O-N 3.06Å; A740-K742 VanDerWaalsContact C-N 3.33Å; A740-K742 PolarHBondContact O-N 2.95Å; A740-C743 WeakPolarHBondContact O-CB 3.43Å; A740-C743 PolarHBondContact O-N 2.94Å; A740-C743 VanDerWaalsContact O-N 3.11Å; A740-D744 PolarHBondContact O-N 2.98Å |
| 741 | Y | 88.6 | Confident | 84.3 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 6% | 0.063 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 177.8 | 177 | -99.3 | 0 | 0 | 0 | 112.6 | L737 K739 C743 D744 T745 V760 A764 L767 N794 L798 | L737-Y741 WeakPolarHBondContact O-CB 3.12Å; L737-Y741 PolarHBondContact O-N 3.28Å; K739-Y741 PolarHBondContact O-N 3.39Å; Y741-C743 VanDerWaalsContact C-N 3.34Å; Y741-C743 PolarHBondContact O-N 3.46Å; Y741-D744 PolarHBondContact O-N 3.26Å; Y741-T745 HydrophobicContact CD1-CG2 4.41Å; Y741-T745 HydrophobicContact CD2-CG2 4.32Å; Y741-T745 HydrophobicContact CE1-CG2 3.87Å; Y741-T745 HydrophobicContact CE2-CG2 3.76Å; Y741-T745 WeakPolarHBondContact O-CG2 3.35Å; Y741-T745 PolarHBondContact O-N 2.86Å; Y741-T745 PolarHBondContact O-OG1 3.43Å; Y741-V760 HydrophobicContact CE2-CG1 3.95Å; Y741-A764 HydrophobicContact CD2-CB 4.18Å; Y741-A764 HydrophobicContact CE2-CB 3.71Å; Y741-L767 HydrophobicContact CG-CD2 4.36Å; Y741-N794 HydrophobicContact CE1-CB 3.66Å; Y741-N794 VanDerWaalsContact CE1-CG 3.49Å; Y741-L798 HydrophobicContact CE2-CD1 4.02Å; Y741-L798 WeakPolarHBondContact OH-CD1 3.33Å; Y741-L798 WeakPolarHBondContact OH-CG 3.47Å |
| 742 | K | 87.8 | Confident | 83.8 | Confident | 124 Ų | 124 | 60 Ų | 60 | 54% | 0.539 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 173.4 | -75.4 | 176.9 | 178.4 | -176.3 | 0 | 112.1 | S738 K739 A740 T745 Q746 | S738-K742 WeakPolarHBondContact O-CG 3.27Å; S738-K742 PolarHBondContact O-N 3.42Å; S738-K742 VanDerWaalsContact O-N 3.17Å; K739-K742 PolarHBondContact O-N 3.48Å; A740-K742 VanDerWaalsContact C-N 3.33Å; A740-K742 PolarHBondContact O-N 2.95Å; K742-T745 PolarHBondContact O-OG1 3.14Å; K742-Q746 WeakPolarHBondContact O-CB 3.41Å; K742-Q746 WeakPolarHBondContact O-CG 3.25Å; K742-Q746 PolarHBondContact O-N 3.48Å; K742-Q746 VanDerWaalsContact O-N 3.08Å |
| 743 | C | 86.7 | Confident | 83.4 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 12% | 0.122 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 176.9 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | T706 K739 A740 Y741 T745 Q746 S747 | T706-C743 PolarHBondContact O-SG 3.43Å; T706-C743 VanDerWaalsContact O-SG 3.38Å; K739-C743 PolarHBondContact O-N 3.44Å; K739-C743 PolarHBondContact O-SG 2.9Å; A740-C743 WeakPolarHBondContact O-CB 3.43Å; A740-C743 PolarHBondContact O-N 2.94Å; A740-C743 VanDerWaalsContact O-N 3.11Å; Y741-C743 VanDerWaalsContact C-N 3.34Å; Y741-C743 PolarHBondContact O-N 3.46Å; C743-T745 PolarHBondContact O-N 3.13Å; C743-Q746 PolarHBondContact O-N 3.49Å; C743-S747 PolarHBondContact O-N 2.67Å |
| 744 | D | 83.6 | Confident | 83.1 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 179.4 | -69.5 | -11.5 | 0 | 0 | 0 | 111.1 | R713 A740 Y741 Q746 S747 V760 R763 | R713-D744 IonicContact CZ-OD1 2.75Å; R713-D744 IonicContact CZ-OD2 2.72Å; R713-D744 VanDerWaalsContact NH1-CG 3.28Å; R713-D744 IonicContact NH1-OD1 3.2Å; R713-D744 PolarHBondContact NH1-OD1 3.32Å; R713-D744 IonicContact NH1-OD2 2.82Å; R713-D744 PolarHBondContact NH1-OD2 3.26Å; R713-D744 IonicContact NH2-OD1 2.78Å; A740-D744 PolarHBondContact O-N 2.98Å; Y741-D744 PolarHBondContact O-N 3.26Å; D744-Q746 VanDerWaalsContact C-N 3.35Å; D744-Q746 PolarHBondContact O-N 2.71Å; D744-S747 WeakPolarHBondContact O-CB 3.33Å; D744-S747 PolarHBondContact O-N 3.43Å; D744-S747 PolarHBondContact O-OG 3.1Å; D744-V760 HydrophobicContact CB-CG2 4.4Å; D744-R763 VanDerWaalsContact CG-NH1 3.33Å; D744-R763 IonicContact OD1-NH1 2.8Å; D744-R763 PolarHBondContact OD1-NH1 2.87Å; D744-R763 VanDerWaalsContact OD2-CD 3.24Å; D744-R763 WeakPolarHBondContact OD2-CD 3.48Å; D744-R763 IonicContact OD2-CZ 2.61Å; D744-R763 IonicContact OD2-NE 3.21Å; D744-R763 IonicContact OD2-NH1 3.91Å; D744-R763 PolarHBondContact OD2-NH1 3.41Å |
| 745 | T | 82.7 | Confident | 82.7 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 23% | 0.233 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73.1 | -22.9 | -178.4 | 49.9 | 0 | 0 | 0 | 0 | 114.4 | Y741 K742 C743 S747 W750 V760 | Y741-T745 HydrophobicContact CD1-CG2 4.41Å; Y741-T745 HydrophobicContact CD2-CG2 4.32Å; Y741-T745 HydrophobicContact CE1-CG2 3.87Å; Y741-T745 HydrophobicContact CE2-CG2 3.76Å; Y741-T745 WeakPolarHBondContact O-CG2 3.35Å; Y741-T745 PolarHBondContact O-N 2.86Å; Y741-T745 PolarHBondContact O-OG1 3.43Å; K742-T745 PolarHBondContact O-OG1 3.14Å; C743-T745 PolarHBondContact O-N 3.13Å; T745-S747 VanDerWaalsContact C-N 3.33Å; T745-W750 HydrophobicContact CG2-CZ2 4.19Å; T745-W750 PolarHBondContact O-NE1 2.69Å; T745-V760 HydrophobicContact CG2-CG1 4.21Å |
| 746 | Q | 82.8 | Confident | 82.3 | Confident | 145 Ų | 145 | 60.9 Ų | 60.9 | 68% | 0.678 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -81.7 | -11.1 | 173 | -74.4 | 175.8 | -7 | 0 | 0 | 113.2 | K742 C743 D744 | K742-Q746 WeakPolarHBondContact O-CB 3.41Å; K742-Q746 WeakPolarHBondContact O-CG 3.25Å; K742-Q746 PolarHBondContact O-N 3.48Å; K742-Q746 VanDerWaalsContact O-N 3.08Å; C743-Q746 PolarHBondContact O-N 3.49Å; D744-Q746 VanDerWaalsContact C-N 3.35Å; D744-Q746 PolarHBondContact O-N 2.71Å |
| 747 | S | 75.8 | Confident | 82 | Confident | 54 Ų | 54 | 60.6 Ų | 60.6 | 38% | 0.378 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -75 | 142.9 | 175.8 | 76.9 | 0 | 0 | 0 | 0 | 111.2 | C743 D744 T745 C749 W750 | C743-S747 PolarHBondContact O-N 2.67Å; D744-S747 WeakPolarHBondContact O-CB 3.33Å; D744-S747 PolarHBondContact O-N 3.43Å; D744-S747 PolarHBondContact O-OG 3.1Å; T745-S747 VanDerWaalsContact C-N 3.33Å; S747-C749 PolarHBondContact O-N 2.81Å; S747-C749 VanDerWaalsContact O-N 3.15Å; S747-W750 PolarHBondContact O-NE1 2.89Å |
| 748 | N | 62.6 | Low | 81.7 | Confident | 147 Ų | 147 | 62.2 Ų | 62.2 | 79% | 0.786 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 9.1 | -172.7 | -74.4 | -8.8 | 0 | 0 | 0 | 115 | K752 | N748-K752 WeakPolarHBondContact O-CE 3.34Š|
| 749 | C | 67.2 | Low | 81.5 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 50% | 0.5 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | -18.1 | -165 | -63.7 | 0 | 0 | 0 | 0 | 115.6 | S747 E751 K752 | S747-C749 PolarHBondContact O-N 2.81Å; S747-C749 VanDerWaalsContact O-N 3.15Å; C749-E751 PolarHBondContact O-N 3.37Å; C749-K752 PolarHBondContact O-N 3.41Å |
| 750 | W | 78.7 | Confident | 81.3 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -13 | -172.7 | 66.5 | -87.9 | 0 | 0 | 0 | 114.8 | T745 S747 F757 V760 L798 K801 | T745-W750 HydrophobicContact CG2-CZ2 4.19Å; T745-W750 PolarHBondContact O-NE1 2.69Å; S747-W750 PolarHBondContact O-NE1 2.89Å; W750-F757 AromaticContact CE3-CD2 3.73Å; W750-F757 HydrophobicContact CE3-CD2 3.73Å; W750-F757 HydrophobicContact CE3-CE2 4.16Å; W750-F757 HydrophobicContact CH2-CE2 4.49Å; W750-F757 AromaticContact CZ3-CD2 3.59Å; W750-F757 HydrophobicContact CZ3-CD2 3.59Å; W750-F757 AromaticContact CZ3-CE2 3.52Å; W750-F757 HydrophobicContact CZ3-CE2 3.52Å; W750-F757 WeakPolarHBondContact O-CA 3.33Å; W750-F757 PolarHBondContact O-N 3.09Å; W750-V760 HydrophobicContact CB-CG2 3.82Å; W750-V760 HydrophobicContact CD2-CG2 4.38Å; W750-V760 HydrophobicContact CE3-CB 4.28Å; W750-V760 HydrophobicContact CE3-CG1 4.2Å; W750-V760 HydrophobicContact CE3-CG2 4.26Å; W750-V760 HydrophobicContact CG-CG2 4.22Å; W750-V760 HydrophobicContact CZ3-CG1 4.4Å; W750-L798 HydrophobicContact CH2-CD2 3.7Å; W750-L798 HydrophobicContact CZ3-CD2 3.53Å; W750-K801 HydrophobicContact CH2-CD 3.55Å; W750-K801 HydrophobicContact CZ2-CD 4.17Å; W750-K801 HydrophobicContact CZ3-CD 4.43Å |
| 751 | E | 78.9 | Confident | 81.1 | Confident | 75 Ų | 75 | 61 Ų | 61 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6.6 | 179.1 | -62.7 | -179.6 | 178.2 | 0 | 0 | 113.1 | C749 K801 L805 | C749-E751 PolarHBondContact O-N 3.37Å; E751-K801 WeakPolarHBondContact OE1-CE 3.42Å; E751-K801 IonicContact OE1-NZ 3.65Å; E751-K801 PolarHBondContact OE1-NZ 3.04Å; E751-L805 HydrophobicContact CB-CD1 3.91Å; E751-L805 HydrophobicContact CG-CD1 4.28Å |
| 752 | K | 75.7 | Confident | 81 | Confident | 157 Ų | 157 | 65.2 Ų | 65.2 | 68% | 0.683 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -85.6 | -30 | -168.6 | -66.7 | -177.1 | 178.6 | 175.4 | 0 | 114 | N748 C749 | N748-K752 WeakPolarHBondContact O-CE 3.34Å; C749-K752 PolarHBondContact O-N 3.41Å |
| 753 | D | 80.1 | Confident | 80.9 | Confident | 53 Ų | 53 | 63.1 Ų | 63.1 | 28% | 0.283 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -134.7 | 145 | -175.1 | 62.8 | -54.7 | 0 | 0 | 0 | 111.3 | T755 S756 F757 | D753-T755 PolarHBondContact O-N 3.19Å; D753-T755 PolarHBondContact OD2-OG1 2.89Å; D753-S756 PolarHBondContact O-N 3.39Å; D753-S756 WeakPolarHBondContact OD1-CB 3.39Å; D753-S756 PolarHBondContact OD1-OG 2.9Å; D753-S756 WeakPolarHBondContact OD2-CB 3.29Å; D753-S756 PolarHBondContact OD2-N 3.46Å; D753-S756 PolarHBondContact OD2-OG 3.18Å; D753-F757 WeakPolarHBondContact O-CB 3.3Å; D753-F757 PolarHBondContact O-N 2.92Å |
| 754 | I | 80.7 | Confident | 80.9 | Confident | 51 Ų | 51 | 62.3 Ų | 62.3 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.7 | -37 | -179.4 | -69.8 | 169.7 | 0 | 0 | 0 | 111 | K758 F806 E817 L818 | I754-K758 VanDerWaalsContact O-CB 3.23Å; I754-K758 WeakPolarHBondContact O-CB 3.49Å; I754-K758 PolarHBondContact O-N 2.81Å; I754-F806 HydrophobicContact CB-CE1 4.46Å; I754-F806 HydrophobicContact CD1-CD1 4.2Å; I754-F806 HydrophobicContact CG1-CD1 3.48Å; I754-F806 VanDerWaalsContact CG1-CD1 3.48Å; I754-F806 HydrophobicContact CG1-CE1 3.49Å; I754-F806 VanDerWaalsContact CG1-CE1 3.49Å; I754-F806 HydrophobicContact CG1-CG 4.38Å; I754-F806 HydrophobicContact CG1-CZ 4.41Å; I754-E817 HydrophobicContact CG2-CB 4.45Å; I754-L818 HydrophobicContact CG1-CD1 4.4Å; I754-L818 HydrophobicContact CG2-CD1 3.82Å; I754-L818 HydrophobicContact CG2-CG 4.35Å |
| 755 | T | 82.9 | Confident | 81 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.3 | -53 | -179.7 | 34.2 | 0 | 0 | 0 | 0 | 112.8 | D753 F757 K758 E759 | D753-T755 PolarHBondContact O-N 3.19Å; D753-T755 PolarHBondContact OD2-OG1 2.89Å; T755-F757 VanDerWaalsContact C-N 3.32Å; T755-F757 PolarHBondContact O-N 2.83Å; T755-K758 PolarHBondContact O-N 2.7Å; T755-E759 PolarHBondContact O-N 2.86Å |
| 756 | S | 81.7 | Confident | 81.1 | Confident | 40 Ų | 40 | 62.1 Ų | 62.1 | 28% | 0.28 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.1 | -35.7 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | D753 E759 V760 | D753-S756 PolarHBondContact O-N 3.39Å; D753-S756 WeakPolarHBondContact OD1-CB 3.39Å; D753-S756 PolarHBondContact OD1-OG 2.9Å; D753-S756 WeakPolarHBondContact OD2-CB 3.29Å; D753-S756 PolarHBondContact OD2-N 3.46Å; D753-S756 PolarHBondContact OD2-OG 3.18Å; S756-E759 PolarHBondContact O-N 3.45Å; S756-V760 PolarHBondContact O-N 2.94Å |
| 757 | F | 84.8 | Confident | 81.4 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.9 | -173.5 | -92.3 | 0 | 0 | 0 | 111.3 | W750 D753 T755 E759 V760 V761 L798 K801 A802 F806 L818 | W750-F757 AromaticContact CE3-CD2 3.73Å; W750-F757 HydrophobicContact CE3-CD2 3.73Å; W750-F757 HydrophobicContact CE3-CE2 4.16Å; W750-F757 HydrophobicContact CH2-CE2 4.49Å; W750-F757 AromaticContact CZ3-CD2 3.59Å; W750-F757 HydrophobicContact CZ3-CD2 3.59Å; W750-F757 AromaticContact CZ3-CE2 3.52Å; W750-F757 HydrophobicContact CZ3-CE2 3.52Å; W750-F757 WeakPolarHBondContact O-CA 3.33Å; W750-F757 PolarHBondContact O-N 3.09Å; D753-F757 WeakPolarHBondContact O-CB 3.3Å; D753-F757 PolarHBondContact O-N 2.92Å; T755-F757 VanDerWaalsContact C-N 3.32Å; T755-F757 PolarHBondContact O-N 2.83Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.36Å; F757-V760 PolarHBondContact O-N 3.31Å; F757-V761 HydrophobicContact CD1-CG2 3.9Å; F757-V761 HydrophobicContact CE1-CG2 3.57Å; F757-V761 HydrophobicContact CZ-CG2 4.17Å; F757-V761 WeakPolarHBondContact O-CG2 3.47Å; F757-V761 PolarHBondContact O-N 3.17Å; F757-L798 HydrophobicContact CE2-CD2 4.49Å; F757-K801 HydrophobicContact CE2-CB 4.23Å; F757-A802 HydrophobicContact CE1-CB 3.81Å; F757-A802 HydrophobicContact CZ-CB 3.72Å; F757-F806 HydrophobicContact CB-CE2 3.86Å; F757-F806 HydrophobicContact CB-CZ 4Å; F757-F806 HydrophobicContact CD1-CD2 4.17Å; F757-F806 AromaticContact CD1-CE2 3.8Å; F757-F806 HydrophobicContact CD1-CE2 3.8Å; F757-F806 AromaticContact CD2-CE2 3.62Å; F757-F806 HydrophobicContact CD2-CE2 3.62Å; F757-F806 HydrophobicContact CD2-CZ 4.38Å; F757-F806 HydrophobicContact CE1-CD2 4.33Å; F757-F806 HydrophobicContact CE1-CE2 4.25Å; F757-F806 HydrophobicContact CE2-CE2 4.06Å; F757-F806 HydrophobicContact CG-CD2 4.29Å; F757-F806 AromaticContact CG-CE2 3.47Å; F757-F806 HydrophobicContact CG-CE2 3.47Å; F757-F806 VanDerWaalsContact CG-CE2 3.47Å; F757-F806 HydrophobicContact CG-CZ 4.13Å; F757-F806 HydrophobicContact CZ-CE2 4.38Å; F757-L818 HydrophobicContact CD1-CD1 4.37Å; F757-L818 HydrophobicContact CD1-CD2 3.72Å; F757-L818 HydrophobicContact CE1-CD2 3.93Å |
| 758 | K | 84.6 | Confident | 81.9 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 27% | 0.274 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176.3 | -175.2 | 166 | -177.5 | 148.1 | 0 | 112.2 | I754 T755 V760 V761 Q762 E817 D821 | I754-K758 VanDerWaalsContact O-CB 3.23Å; I754-K758 WeakPolarHBondContact O-CB 3.49Å; I754-K758 PolarHBondContact O-N 2.81Å; T755-K758 PolarHBondContact O-N 2.7Å; K758-V760 PolarHBondContact O-N 3.42Å; K758-V761 PolarHBondContact O-N 3.21Å; K758-Q762 WeakPolarHBondContact O-CG 3.42Å; K758-Q762 PolarHBondContact O-N 2.99Å; K758-E817 PolarHBondContact NZ-O 3.2Å; K758-D821 WeakPolarHBondContact CE-OD2 3.32Å; K758-D821 IonicContact NZ-OD2 2.82Å; K758-D821 PolarHBondContact NZ-OD2 3.17Å |
| 759 | E | 85.1 | Confident | 83.1 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 46% | 0.458 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.2 | -71.7 | -170.2 | -179.8 | 0 | 0 | 112.7 | T755 S756 F757 V761 Q762 R763 | T755-E759 PolarHBondContact O-N 2.86Å; S756-E759 PolarHBondContact O-N 3.45Å; F757-E759 VanDerWaalsContact C-N 3.33Å; F757-E759 PolarHBondContact O-N 3.36Å; E759-V761 VanDerWaalsContact C-N 3.34Å; E759-Q762 PolarHBondContact O-N 2.9Å; E759-R763 VanDerWaalsContact O-CG 3.23Å; E759-R763 WeakPolarHBondContact O-CG 3.4Å; E759-R763 PolarHBondContact O-N 3.12Å; E759-R763 IonicContact OE2-CZ 3.04Å; E759-R763 IonicContact OE2-NH2 3.92Å; E759-R763 PolarHBondContact OE2-NH2 3.12Å |
| 760 | V | 85.9 | Confident | 84 | Confident | 4 Ų | 4 | 48.3 Ų | 48.3 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 177.6 | 174.9 | 0 | 0 | 0 | 0 | 111 | Y741 D744 T745 W750 S756 F757 K758 R763 A764 L798 | Y741-V760 HydrophobicContact CE2-CG1 3.95Å; D744-V760 HydrophobicContact CB-CG2 4.4Å; T745-V760 HydrophobicContact CG2-CG1 4.21Å; W750-V760 HydrophobicContact CB-CG2 3.82Å; W750-V760 HydrophobicContact CD2-CG2 4.38Å; W750-V760 HydrophobicContact CE3-CB 4.28Å; W750-V760 HydrophobicContact CE3-CG1 4.2Å; W750-V760 HydrophobicContact CE3-CG2 4.26Å; W750-V760 HydrophobicContact CG-CG2 4.22Å; W750-V760 HydrophobicContact CZ3-CG1 4.4Å; S756-V760 PolarHBondContact O-N 2.94Å; F757-V760 PolarHBondContact O-N 3.31Å; K758-V760 PolarHBondContact O-N 3.42Å; V760-R763 PolarHBondContact O-N 2.96Å; V760-A764 WeakPolarHBondContact O-CB 3.38Å; V760-A764 PolarHBondContact O-N 3.46Å; V760-L798 HydrophobicContact CG1-CD2 4.05Å |
| 761 | V | 85.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | F757 K758 E759 R763 A764 L765 L798 D821 M825 | F757-V761 HydrophobicContact CD1-CG2 3.9Å; F757-V761 HydrophobicContact CE1-CG2 3.57Å; F757-V761 HydrophobicContact CZ-CG2 4.17Å; F757-V761 WeakPolarHBondContact O-CG2 3.47Å; F757-V761 PolarHBondContact O-N 3.17Å; K758-V761 PolarHBondContact O-N 3.21Å; E759-V761 VanDerWaalsContact C-N 3.34Å; V761-R763 VanDerWaalsContact C-N 3.28Å; V761-R763 PolarHBondContact O-N 2.99Å; V761-A764 WeakPolarHBondContact O-CB 3.39Å; V761-A764 PolarHBondContact O-N 2.93Å; V761-A764 VanDerWaalsContact O-N 3.08Å; V761-L765 HydrophobicContact CG1-CD1 3.99Å; V761-L765 HydrophobicContact CG1-CG 4.32Å; V761-L765 WeakPolarHBondContact O-CG 3.45Å; V761-L765 PolarHBondContact O-N 3.31Å; V761-L798 HydrophobicContact CG2-CD1 4.48Å; V761-D821 HydrophobicContact CG1-CB 3.8Å; V761-M825 HydrophobicContact CB-SD 4.4Å; V761-M825 HydrophobicContact CG1-CE 3.71Å; V761-M825 HydrophobicContact CG1-CG 3.94Å; V761-M825 HydrophobicContact CG1-SD 3.57Å; V761-M825 VanDerWaalsContact CG1-SD 3.57Å; V761-M825 HydrophobicContact CG2-CE 4.03Å; V761-M825 HydrophobicContact CG2-SD 4.07Å |
| 762 | Q | 86.4 | Confident | 84.7 | Confident | 104 Ų | 104 | 44.8 Ų | 44.8 | 49% | 0.486 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.6 | -39.6 | 177.4 | -72.7 | -179.4 | -6.7 | 0 | 0 | 112.2 | K758 E759 L765 G766 | K758-Q762 WeakPolarHBondContact O-CG 3.42Å; K758-Q762 PolarHBondContact O-N 2.99Å; E759-Q762 PolarHBondContact O-N 2.9Å; Q762-L765 PolarHBondContact O-N 3.45Å; Q762-G766 PolarHBondContact O-N 2.92Å |
| 763 | R | 87 | Confident | 85.1 | Confident | 80 Ų | 80 | 41.2 Ų | 41.2 | 30% | 0.302 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -64.8 | -39.6 | 174.6 | -69.6 | 170.5 | -169.4 | 167.6 | 14.5 | 112.1 | R713 D744 E759 V760 V761 G766 L767 | R713-R763 VanDerWaalsContact NH1-NH1 3.19Å; D744-R763 VanDerWaalsContact CG-NH1 3.33Å; D744-R763 IonicContact OD1-NH1 2.8Å; D744-R763 PolarHBondContact OD1-NH1 2.87Å; D744-R763 VanDerWaalsContact OD2-CD 3.24Å; D744-R763 WeakPolarHBondContact OD2-CD 3.48Å; D744-R763 IonicContact OD2-CZ 2.61Å; D744-R763 IonicContact OD2-NE 3.21Å; D744-R763 IonicContact OD2-NH1 3.91Å; D744-R763 PolarHBondContact OD2-NH1 3.41Å; E759-R763 VanDerWaalsContact O-CG 3.23Å; E759-R763 WeakPolarHBondContact O-CG 3.4Å; E759-R763 PolarHBondContact O-N 3.12Å; E759-R763 IonicContact OE2-CZ 3.04Å; E759-R763 IonicContact OE2-NH2 3.92Å; E759-R763 PolarHBondContact OE2-NH2 3.12Å; V760-R763 PolarHBondContact O-N 2.96Å; V761-R763 VanDerWaalsContact C-N 3.28Å; V761-R763 PolarHBondContact O-N 2.99Å; R763-G766 PolarHBondContact O-N 3.39Å; R763-L767 PolarHBondContact O-N 2.73Å |
| 764 | A | 86.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -39.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y741 V760 V761 L767 A768 L795 L798 | Y741-A764 HydrophobicContact CD2-CB 4.18Å; Y741-A764 HydrophobicContact CE2-CB 3.71Å; V760-A764 WeakPolarHBondContact O-CB 3.38Å; V760-A764 PolarHBondContact O-N 3.46Å; V761-A764 WeakPolarHBondContact O-CB 3.39Å; V761-A764 PolarHBondContact O-N 2.93Å; V761-A764 VanDerWaalsContact O-N 3.08Å; A764-L767 WeakPolarHBondContact O-CB 3.37Å; A764-L767 PolarHBondContact O-N 2.92Å; A764-A768 PolarHBondContact O-N 3.24Å; A764-L795 HydrophobicContact CB-CD2 3.79Å; A764-L798 HydrophobicContact CB-CD1 3.47Å; A764-L798 VanDerWaalsContact CB-CD1 3.47Å |
| 765 | L | 86.2 | Confident | 85.4 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.089 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.5 | -45.8 | 172.7 | -68.5 | 171.1 | 0 | 0 | 0 | 110.6 | V761 Q762 L767 A768 H769 L795 A824 M825 L828 | V761-L765 HydrophobicContact CG1-CD1 3.99Å; V761-L765 HydrophobicContact CG1-CG 4.32Å; V761-L765 WeakPolarHBondContact O-CG 3.45Å; V761-L765 PolarHBondContact O-N 3.31Å; Q762-L765 PolarHBondContact O-N 3.45Å; L765-L767 VanDerWaalsContact C-N 3.35Å; L765-L767 PolarHBondContact O-N 3.08Å; L765-A768 WeakPolarHBondContact O-CB 3.36Å; L765-A768 PolarHBondContact O-N 3.3Å; L765-A768 VanDerWaalsContact O-N 3.16Å; L765-H769 PolarHBondContact O-N 3.04Å; L765-H769 PolarHBondContact O-ND1 3.38Å; L765-L795 HydrophobicContact CD2-CD2 4.44Å; L765-A824 HydrophobicContact CD1-CB 4.14Å; L765-A824 HydrophobicContact CD2-CB 4.21Å; L765-M825 HydrophobicContact CD2-CB 4.37Å; L765-M825 HydrophobicContact CD2-CG 3.69Å; L765-M825 HydrophobicContact CG-CG 4.2Å; L765-L828 HydrophobicContact CD2-CD1 3.45Å; L765-L828 VanDerWaalsContact CD2-CD1 3.45Å |
| 766 | G | 84.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 38.4 Ų | 38.4 | 35% | 0.351 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -57.9 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q762 R763 A768 H769 V770 | Q762-G766 PolarHBondContact O-N 2.92Å; R763-G766 PolarHBondContact O-N 3.39Å; G766-A768 VanDerWaalsContact C-N 3.31Å; G766-A768 PolarHBondContact O-N 3.08Å; G766-H769 PolarHBondContact O-N 2.73Å; G766-V770 WeakPolarHBondContact O-CG2 3.36Å; G766-V770 PolarHBondContact O-N 3.17Å |
| 767 | L | 88.6 | Confident | 85.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.8 | -39 | 175.2 | 178.2 | 64.7 | 0 | 0 | 0 | 112.4 | F734 L737 Y741 R763 A764 L765 V770 A771 V791 | F734-L767 HydrophobicContact CD2-CD1 3.65Å; F734-L767 HydrophobicContact CE2-CD1 3.56Å; F734-L767 HydrophobicContact CE2-CG 4.22Å; L737-L767 HydrophobicContact CB-CD1 3.66Å; Y741-L767 HydrophobicContact CG-CD2 4.36Å; R763-L767 PolarHBondContact O-N 2.73Å; A764-L767 WeakPolarHBondContact O-CB 3.37Å; A764-L767 PolarHBondContact O-N 2.92Å; L765-L767 VanDerWaalsContact C-N 3.35Å; L765-L767 PolarHBondContact O-N 3.08Å; L767-V770 PolarHBondContact O-N 3.3Å; L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 3.21Å; L767-V791 HydrophobicContact CD2-CG2 4.38Å; L767-V791 HydrophobicContact CG-CG1 4.37Å; L767-V791 HydrophobicContact CG-CG2 4.23Å |
| 768 | A | 86.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A764 L765 G766 V770 A771 I772 V791 L795 L828 L832 | A764-A768 PolarHBondContact O-N 3.24Å; L765-A768 WeakPolarHBondContact O-CB 3.36Å; L765-A768 PolarHBondContact O-N 3.3Å; L765-A768 VanDerWaalsContact O-N 3.16Å; G766-A768 VanDerWaalsContact C-N 3.31Å; G766-A768 PolarHBondContact O-N 3.08Å; A768-V770 VanDerWaalsContact C-N 3.34Å; A768-V770 PolarHBondContact O-N 2.99Å; A768-A771 WeakPolarHBondContact O-CB 3.36Å; A768-A771 PolarHBondContact O-N 2.94Å; A768-I772 WeakPolarHBondContact O-CG1 3.29Å; A768-I772 PolarHBondContact O-N 3.11Å; A768-V791 HydrophobicContact CB-CG1 3.8Å; A768-L795 HydrophobicContact CB-CD1 3.96Å; A768-L828 HydrophobicContact CB-CD2 4.21Å; A768-L832 HydrophobicContact CB-CD1 4.28Å |
| 769 | H | 87.4 | Confident | 84.3 | Confident | 110 Ų | 110 | 46.2 Ų | 46.2 | 51% | 0.509 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -42 | 175.8 | -67.3 | 96 | 0 | 0 | 0 | 112.1 | L765 G766 A771 I772 K773 | L765-H769 PolarHBondContact O-N 3.04Å; L765-H769 PolarHBondContact O-ND1 3.38Å; G766-H769 PolarHBondContact O-N 2.73Å; H769-A771 VanDerWaalsContact C-N 3.33Å; H769-A771 PolarHBondContact O-N 2.64Å; H769-I772 PolarHBondContact O-N 3.38Å; H769-K773 PolarHBondContact O-N 3.09Å |
| 770 | V | 86.7 | Confident | 84 | Confident | 15 Ų | 15 | 43 Ų | 43 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64 | -40.2 | 176 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | N721 F734 L737 G766 L767 A768 K773 C774 | N721-V770 WeakPolarHBondContact O-CG2 3.41Å; F734-V770 HydrophobicContact CB-CG1 3.99Å; F734-V770 HydrophobicContact CD2-CG1 4.36Å; L737-V770 HydrophobicContact CD1-CB 4.5Å; L737-V770 HydrophobicContact CD1-CG2 4.05Å; G766-V770 WeakPolarHBondContact O-CG2 3.36Å; G766-V770 PolarHBondContact O-N 3.17Å; L767-V770 PolarHBondContact O-N 3.3Å; A768-V770 VanDerWaalsContact C-N 3.34Å; A768-V770 PolarHBondContact O-N 2.99Å; V770-K773 PolarHBondContact O-N 3.06Å; V770-C774 PolarHBondContact O-N 3.49Å; V770-C774 PolarHBondContact O-SG 3.11Å |
| 771 | A | 86.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F734 L767 A768 H769 K773 C774 S775 M787 V791 | F734-A771 HydrophobicContact CD2-CB 4.06Å; F734-A771 HydrophobicContact CE2-CB 3.61Å; F734-A771 HydrophobicContact CZ-CB 4.44Å; L767-A771 WeakPolarHBondContact O-CB 3.35Å; L767-A771 PolarHBondContact O-N 3.21Å; A768-A771 WeakPolarHBondContact O-CB 3.36Å; A768-A771 PolarHBondContact O-N 2.94Å; H769-A771 VanDerWaalsContact C-N 3.33Å; H769-A771 PolarHBondContact O-N 2.64Å; A771-K773 VanDerWaalsContact C-N 3.28Å; A771-K773 PolarHBondContact O-N 3.36Å; A771-C774 PolarHBondContact O-N 3Å; A771-S775 WeakPolarHBondContact O-CB 3.49Å; A771-S775 PolarHBondContact O-N 3.48Å; A771-S775 PolarHBondContact O-OG 3.3Å; A771-M787 HydrophobicContact CB-CG 4.33Å; A771-M787 HydrophobicContact CB-SD 4.32Å; A771-V791 HydrophobicContact CB-CG2 3.93Å |
| 772 | I | 85.6 | Confident | 83.4 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.8 | -69.4 | 167.4 | 0 | 0 | 0 | 111.1 | A768 H769 S775 K776 L788 L828 E831 L832 L835 | A768-I772 WeakPolarHBondContact O-CG1 3.29Å; A768-I772 PolarHBondContact O-N 3.11Å; H769-I772 PolarHBondContact O-N 3.38Å; I772-S775 PolarHBondContact O-OG 3.24Å; I772-K776 WeakPolarHBondContact O-CG 2.94Å; I772-L788 HydrophobicContact CG1-CD2 4.24Å; I772-L828 HydrophobicContact CD1-CD2 3.69Å; I772-E831 HydrophobicContact CD1-CG 4.5Å; I772-L832 HydrophobicContact CD1-CD2 3.96Å; I772-L832 HydrophobicContact CD1-CG 4.45Å; I772-L832 HydrophobicContact CG1-CD2 3.53Å; I772-L832 HydrophobicContact CG1-CG 4.5Å; I772-L835 HydrophobicContact CD1-CD1 4.47Å; I772-L835 HydrophobicContact CG1-CD1 4.09Å; I772-L835 HydrophobicContact CG2-CD1 3.81Å |
| 773 | K | 84.3 | Confident | 83.1 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -70.8 | -42.1 | 178.4 | -170.6 | 174.3 | 169.7 | -163.7 | 0 | 111.8 | G722 H769 V770 A771 K776 | G722-K773 VanDerWaalsContact O-CD 3.32Å; G722-K773 WeakPolarHBondContact O-CD 3.21Å; G722-K773 WeakPolarHBondContact O-CE 3.47Å; G722-K773 PolarHBondContact O-NZ 3.47Å; H769-K773 PolarHBondContact O-N 3.09Å; V770-K773 PolarHBondContact O-N 3.06Å; A771-K773 VanDerWaalsContact C-N 3.28Å; A771-K773 PolarHBondContact O-N 3.36Å; K773-K776 PolarHBondContact O-N 2.92Å |
| 774 | C | 83.8 | Confident | 82.8 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.061 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.1 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | N730 V770 A771 K776 N777 K778 M787 | N730-C774 PolarHBondContact O-SG 2.87Å; V770-C774 PolarHBondContact O-N 3.49Å; V770-C774 PolarHBondContact O-SG 3.11Å; A771-C774 PolarHBondContact O-N 3Å; C774-K776 VanDerWaalsContact C-N 3.26Å; C774-K776 PolarHBondContact O-N 3.2Å; C774-N777 PolarHBondContact O-N 2.84Å; C774-K778 PolarHBondContact O-N 3.37Å; C774-M787 HydrophobicContact CB-CE 4.02Å; C774-M787 HydrophobicContact CB-SD 3.72Å |
| 775 | S | 82.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -31.1 | -179.2 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | A771 I772 N777 F839 | A771-S775 WeakPolarHBondContact O-CB 3.49Å; A771-S775 PolarHBondContact O-N 3.48Å; A771-S775 PolarHBondContact O-OG 3.3Å; I772-S775 PolarHBondContact O-OG 3.24Å; S775-N777 VanDerWaalsContact C-N 3.26Å; S775-N777 PolarHBondContact O-N 3.08Å; S775-F839 WeakPolarHBondContact O-CZ 3.37Å |
| 776 | K | 81.7 | Confident | 82.6 | Confident | 132 Ų | 132 | 50.8 Ų | 50.8 | 57% | 0.574 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -69.1 | -22.7 | 178.5 | -69.7 | 175.8 | -176.3 | -179.2 | 0 | 113.7 | I772 K773 C774 | I772-K776 WeakPolarHBondContact O-CG 2.94Å; K773-K776 PolarHBondContact O-N 2.92Å; C774-K776 VanDerWaalsContact C-N 3.26Å; C774-K776 PolarHBondContact O-N 3.2Å |
| 777 | N | 78.3 | Confident | 82.6 | Confident | 95 Ų | 95 | 50 Ų | 50 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 2.4 | -175.7 | -64.7 | -14.1 | 0 | 0 | 0 | 113.1 | P727 C774 S775 | P727-N777 HydrophobicContact CB-CB 4.32Å; C774-N777 PolarHBondContact O-N 2.84Å; S775-N777 VanDerWaalsContact C-N 3.26Å; S775-N777 PolarHBondContact O-N 3.08Å |
| 778 | K | 77.5 | Confident | 82.5 | Confident | 43 Ų | 43 | 49.7 Ų | 49.7 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | trans | -77.2 | 136.1 | 179.2 | -82.4 | -134.8 | 162.8 | -159.5 | 0 | 111.6 | E731 C774 E783 A784 M787 | E731-K778 WeakPolarHBondContact OE1-CE 3.47Å; E731-K778 IonicContact OE1-NZ 2.63Å; E731-K778 PolarHBondContact OE1-NZ 3.44Å; C774-K778 PolarHBondContact O-N 3.37Å; K778-E783 HydrophobicContact CD-CB 3.64Å; K778-E783 IonicContact NZ-OE2 3.76Å; K778-E783 PolarHBondContact NZ-OE2 2.94Å; K778-A784 HydrophobicContact CB-CB 4.26Å; K778-M787 HydrophobicContact CD-CE 4.44Å | ||
| 779 | S | 73.1 | Confident | 82.5 | Confident | 129 Ų | 129 | 51 Ų | 51 | 90% | 0.902 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -73.9 | -23.7 | 175.7 | 23.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 780 | S | 80 | Confident | 82.5 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | trans | -107.9 | 118.8 | 176 | 175.8 | 0 | 0 | 0 | 0 | 111.5 | Q782 E783 A784 | S780-Q782 PolarHBondContact O-N 3.32Å; S780-E783 PolarHBondContact O-N 3.06Å; S780-A784 PolarHBondContact O-N 2.9Å | ||
| 781 | P | 77.3 | Confident | 82.5 | Confident | 34 Ų | 34 | 47.9 Ų | 47.9 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.5 | -30.3 | 176.3 | -18.9 | 29.3 | 0 | 0 | 0 | 112.9 | A784 V785 Y843 | P781-A784 PolarHBondContact O-N 3.21Å; P781-V785 VanDerWaalsContact O-CG2 3.27Å; P781-V785 WeakPolarHBondContact O-CG2 3.37Å; P781-V785 PolarHBondContact O-N 2.93Å; P781-Y843 HydrophobicContact CB-CD2 4.26Å; P781-Y843 HydrophobicContact CG-CD2 4.49Å |
| 782 | Q | 80.4 | Confident | 82.7 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 45% | 0.449 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -43.4 | 177.1 | -83.6 | 177.1 | -11 | 0 | 0 | 112.6 | S780 A784 V785 Q786 Y843 | S780-Q782 PolarHBondContact O-N 3.32Å; Q782-A784 VanDerWaalsContact C-N 3.34Å; Q782-V785 PolarHBondContact O-N 2.93Å; Q782-Q786 WeakPolarHBondContact O-CG 3.21Å; Q782-Q786 PolarHBondContact O-N 2.87Å; Q782-Y843 HydrophobicContact CB-CE2 4.38Å; Q782-Y843 VanDerWaalsContact CD-CE2 3.43Å; Q782-Y843 HydrophobicContact CG-CD2 3.87Å; Q782-Y843 HydrophobicContact CG-CE2 3.33Å; Q782-Y843 PolarHBondContact NE2-OH 2.67Å; Q782-Y843 PolarHBondContact OE1-OH 3.5Å |
| 783 | E | 81 | Confident | 82.8 | Confident | 90 Ų | 90 | 54 Ų | 54 | 42% | 0.421 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.3 | -36 | 178.9 | -67.3 | -177.6 | -168.8 | 0 | 0 | 111.8 | K778 S780 Q786 M787 | K778-E783 HydrophobicContact CD-CB 3.64Å; K778-E783 IonicContact NZ-OE2 3.76Å; K778-E783 PolarHBondContact NZ-OE2 2.94Å; S780-E783 PolarHBondContact O-N 3.06Å; E783-Q786 PolarHBondContact O-N 3.44Å; E783-M787 WeakPolarHBondContact O-CB 3.31Å; E783-M787 PolarHBondContact O-N 3.48Å |
| 784 | A | 80.8 | Confident | 83 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K778 S780 P781 Q782 M787 L788 F839 | K778-A784 HydrophobicContact CB-CB 4.26Å; S780-A784 PolarHBondContact O-N 2.9Å; P781-A784 PolarHBondContact O-N 3.21Å; Q782-A784 VanDerWaalsContact C-N 3.34Å; A784-M787 PolarHBondContact O-N 3.29Å; A784-L788 VanDerWaalsContact O-CG 3.28Å; A784-L788 WeakPolarHBondContact O-CG 3.39Å; A784-L788 PolarHBondContact O-N 3.26Å; A784-F839 HydrophobicContact CB-CD1 4.42Å; A784-F839 HydrophobicContact CB-CD2 4.24Å; A784-F839 HydrophobicContact CB-CE2 4.42Å; A784-F839 HydrophobicContact CB-CG 4.25Å |
| 785 | V | 83.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 52 Ų | 52 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 176.1 | 168.2 | 0 | 0 | 0 | 0 | 112 | P781 Q782 S789 F839 R840 | P781-V785 VanDerWaalsContact O-CG2 3.27Å; P781-V785 WeakPolarHBondContact O-CG2 3.37Å; P781-V785 PolarHBondContact O-N 2.93Å; Q782-V785 PolarHBondContact O-N 2.93Å; V785-S789 VanDerWaalsContact O-CB 3.24Å; V785-S789 WeakPolarHBondContact O-CB 3.39Å; V785-S789 PolarHBondContact O-N 3.49Å; V785-S789 PolarHBondContact O-OG 3.47Å; V785-F839 HydrophobicContact CG2-CB 3.63Å; V785-R840 HydrophobicContact CG1-CG 4.16Å; V785-R840 HydrophobicContact CG2-CG 3.85Å |
| 786 | Q | 85.1 | Confident | 83.3 | Confident | 134 Ų | 134 | 57.8 Ų | 57.8 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.1 | -42.6 | 176.8 | -74.6 | 179.3 | 0.8 | 0 | 0 | 112.1 | Q782 E783 S789 S790 | Q782-Q786 WeakPolarHBondContact O-CG 3.21Å; Q782-Q786 PolarHBondContact O-N 2.87Å; E783-Q786 PolarHBondContact O-N 3.44Å; Q786-S789 WeakPolarHBondContact CA-OG 3.4Å; Q786-S789 PolarHBondContact O-OG 3.48Å; Q786-S790 WeakPolarHBondContact O-CB 3.34Å; Q786-S790 PolarHBondContact O-N 3.21Å; Q786-S790 VanDerWaalsContact O-N 3.1Å |
| 787 | M | 84.3 | Confident | 83.5 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.079 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61 | -52.6 | 176.7 | -175 | -172.4 | -68.9 | 0 | 0 | 111.9 | F734 A771 C774 K778 E783 A784 S789 S790 V791 | F734-M787 HydrophobicContact CD1-CE 3.89Å; F734-M787 HydrophobicContact CD1-CG 4.21Å; F734-M787 HydrophobicContact CD1-SD 4.1Å; F734-M787 HydrophobicContact CD2-SD 4.41Å; F734-M787 HydrophobicContact CE1-CE 4.03Å; F734-M787 HydrophobicContact CE1-CG 3.52Å; F734-M787 HydrophobicContact CE1-SD 4.02Å; F734-M787 HydrophobicContact CE2-CG 4.01Å; F734-M787 HydrophobicContact CE2-SD 4.34Å; F734-M787 HydrophobicContact CG-CE 4.47Å; F734-M787 HydrophobicContact CG-SD 4.31Å; F734-M787 HydrophobicContact CZ-CG 3.4Å; F734-M787 HydrophobicContact CZ-SD 4.14Å; A771-M787 HydrophobicContact CB-CG 4.33Å; A771-M787 HydrophobicContact CB-SD 4.32Å; C774-M787 HydrophobicContact CB-CE 4.02Å; C774-M787 HydrophobicContact CB-SD 3.72Å; K778-M787 HydrophobicContact CD-CE 4.44Å; E783-M787 WeakPolarHBondContact O-CB 3.31Å; E783-M787 PolarHBondContact O-N 3.48Å; A784-M787 PolarHBondContact O-N 3.29Å; M787-S789 PolarHBondContact O-N 3.41Å; M787-S790 PolarHBondContact O-N 3.1Å; M787-V791 PolarHBondContact O-N 2.89Å |
| 788 | L | 85.9 | Confident | 83.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -40.7 | -178.3 | -65.2 | 170.5 | 0 | 0 | 0 | 111.7 | I772 A784 R792 L832 L835 F839 | I772-L788 HydrophobicContact CG1-CD2 4.24Å; A784-L788 VanDerWaalsContact O-CG 3.28Å; A784-L788 WeakPolarHBondContact O-CG 3.39Å; A784-L788 PolarHBondContact O-N 3.26Å; L788-R792 VanDerWaalsContact O-CB 3.28Å; L788-R792 WeakPolarHBondContact O-CB 3.3Å; L788-R792 PolarHBondContact O-N 3.21Å; L788-L832 HydrophobicContact CB-CD2 4.38Å; L788-L832 HydrophobicContact CD2-CD2 3.41Å; L788-L832 VanDerWaalsContact CD2-CD2 3.41Å; L788-L832 HydrophobicContact CG-CD2 4.48Å; L788-L835 HydrophobicContact CD1-CB 4.01Å; L788-F839 HydrophobicContact CD1-CD2 3.97Å; L788-F839 HydrophobicContact CD1-CE2 4.13Å |
| 789 | S | 85.9 | Confident | 84.2 | Confident | 26 Ų | 26 | 47.1 Ų | 47.1 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.8 | -37 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | V785 Q786 M787 L793 | V785-S789 VanDerWaalsContact O-CB 3.24Å; V785-S789 WeakPolarHBondContact O-CB 3.39Å; V785-S789 PolarHBondContact O-N 3.49Å; V785-S789 PolarHBondContact O-OG 3.47Å; Q786-S789 WeakPolarHBondContact CA-OG 3.4Å; Q786-S789 PolarHBondContact O-OG 3.48Å; M787-S789 PolarHBondContact O-N 3.41Å; S789-L793 WeakPolarHBondContact O-CG 3.34Å; S789-L793 PolarHBondContact O-N 3.27Å |
| 790 | S | 87.4 | Confident | 84.8 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -49.4 | 175.1 | 178.8 | 0 | 0 | 0 | 0 | 112.1 | Q786 M787 R792 L793 N794 | Q786-S790 WeakPolarHBondContact O-CB 3.34Å; Q786-S790 PolarHBondContact O-N 3.21Å; Q786-S790 VanDerWaalsContact O-N 3.1Å; M787-S790 PolarHBondContact O-N 3.1Å; S790-R792 PolarHBondContact O-N 3.28Å; S790-L793 PolarHBondContact O-N 3.35Å; S790-N794 PolarHBondContact O-N 2.97Å; S790-N794 VanDerWaalsContact O-N 3.16Å |
| 791 | V | 87.9 | Confident | 85 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | F734 L767 A768 A771 M787 L793 N794 L795 L832 | F734-V791 HydrophobicContact CE2-CG2 3.73Å; F734-V791 HydrophobicContact CZ-CG2 3.87Å; L767-V791 HydrophobicContact CD2-CG2 4.38Å; L767-V791 HydrophobicContact CG-CG1 4.37Å; L767-V791 HydrophobicContact CG-CG2 4.23Å; A768-V791 HydrophobicContact CB-CG1 3.8Å; A771-V791 HydrophobicContact CB-CG2 3.93Å; M787-V791 PolarHBondContact O-N 2.89Å; V791-L793 VanDerWaalsContact C-N 3.31Å; V791-L793 PolarHBondContact O-N 3.18Å; V791-N794 WeakPolarHBondContact O-CB 3.49Å; V791-N794 PolarHBondContact O-N 3.23Å; V791-N794 VanDerWaalsContact O-N 3.16Å; V791-L795 PolarHBondContact O-N 3.11Å; V791-L832 HydrophobicContact CG1-CD1 4.37Å |
| 792 | R | 90.1 | Very high | 85.2 | Confident | 33 Ų | 33 | 44.8 Ų | 44.8 | 13% | 0.125 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 174.3 | -173.1 | -176 | 61.1 | 101.9 | 12.1 | 112.2 | L788 S790 R796 V829 L832 | L788-R792 VanDerWaalsContact O-CB 3.28Å; L788-R792 WeakPolarHBondContact O-CB 3.3Å; L788-R792 PolarHBondContact O-N 3.21Å; S790-R792 PolarHBondContact O-N 3.28Å; R792-R796 WeakPolarHBondContact O-CG 3.33Å; R792-R796 PolarHBondContact O-N 3.35Å; R792-V829 HydrophobicContact CG-CG1 4.08Å; R792-L832 HydrophobicContact CB-CB 4.24Å; R792-L832 HydrophobicContact CB-CD1 4.05Å; R792-L832 HydrophobicContact CG-CB 4.42Å |
| 793 | L | 87.5 | Confident | 85.2 | Confident | 106 Ų | 106 | 46.3 Ų | 46.3 | 56% | 0.555 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.4 | -41 | 174.9 | -74.2 | 169.1 | 0 | 0 | 0 | 111.7 | S789 S790 V791 R796 G797 | S789-L793 WeakPolarHBondContact O-CG 3.34Å; S789-L793 PolarHBondContact O-N 3.27Å; S790-L793 PolarHBondContact O-N 3.35Å; V791-L793 VanDerWaalsContact C-N 3.31Å; V791-L793 PolarHBondContact O-N 3.18Å; L793-R796 PolarHBondContact O-N 3.12Å; L793-G797 PolarHBondContact O-N 3.32Å |
| 794 | N | 88 | Confident | 85.2 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.5 | -68.5 | -22 | 0 | 0 | 0 | 111.7 | Y741 S790 V791 G797 L798 | Y741-N794 HydrophobicContact CE1-CB 3.66Å; Y741-N794 VanDerWaalsContact CE1-CG 3.49Å; S790-N794 PolarHBondContact O-N 2.97Å; S790-N794 VanDerWaalsContact O-N 3.16Å; V791-N794 WeakPolarHBondContact O-CB 3.49Å; V791-N794 PolarHBondContact O-N 3.23Å; V791-N794 VanDerWaalsContact O-N 3.16Å; N794-G797 PolarHBondContact O-N 3.45Å; N794-L798 PolarHBondContact O-N 3.28Å |
| 795 | L | 87.5 | Confident | 85 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 177.8 | -69 | 176.7 | 0 | 0 | 0 | 112.3 | A764 L765 A768 V791 G797 L798 L799 M825 L828 V829 L832 | A764-L795 HydrophobicContact CB-CD2 3.79Å; L765-L795 HydrophobicContact CD2-CD2 4.44Å; A768-L795 HydrophobicContact CB-CD1 3.96Å; V791-L795 PolarHBondContact O-N 3.11Å; L795-G797 VanDerWaalsContact C-N 3.3Å; L795-G797 PolarHBondContact O-N 2.85Å; L795-L798 PolarHBondContact O-N 2.94Å; L795-L799 WeakPolarHBondContact O-CB 3.49Å; L795-L799 PolarHBondContact O-N 3.43Å; L795-M825 HydrophobicContact CD2-CG 4.12Å; L795-M825 HydrophobicContact CD2-SD 4.46Å; L795-L828 HydrophobicContact CD1-CB 4.2Å; L795-V829 HydrophobicContact CB-CG2 3.63Å; L795-V829 HydrophobicContact CD1-CG2 4.09Å; L795-L832 HydrophobicContact CD1-CD1 3.9Å |
| 796 | R | 87.1 | Confident | 84.6 | Confident | 122 Ų | 122 | 53.4 Ų | 53.4 | 46% | 0.46 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 174.5 | -77.6 | -176.1 | 176.8 | -170 | -2.8 | 112.5 | R792 L793 L799 S800 V829 | R792-R796 WeakPolarHBondContact O-CG 3.33Å; R792-R796 PolarHBondContact O-N 3.35Å; L793-R796 PolarHBondContact O-N 3.12Å; R796-L799 PolarHBondContact O-N 3.04Å; R796-S800 PolarHBondContact O-N 3.3Å; R796-V829 HydrophobicContact CG-CG1 4.05Å; R796-V829 HydrophobicContact CG-CG2 4.24Å |
| 797 | G | 85.7 | Confident | 84 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L793 N794 L795 S800 K801 | L793-G797 PolarHBondContact O-N 3.32Å; N794-G797 PolarHBondContact O-N 3.45Å; L795-G797 VanDerWaalsContact C-N 3.3Å; L795-G797 PolarHBondContact O-N 2.85Å; G797-S800 PolarHBondContact O-N 2.99Å; G797-K801 PolarHBondContact O-N 3.07Å |
| 798 | L | 85.4 | Confident | 83 | Confident | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 174.9 | -70.4 | 171.9 | 0 | 0 | 0 | 112.3 | Y741 W750 F757 V760 V761 A764 N794 L795 S800 K801 A802 M825 | Y741-L798 HydrophobicContact CE2-CD1 4.02Å; Y741-L798 WeakPolarHBondContact OH-CD1 3.33Å; Y741-L798 WeakPolarHBondContact OH-CG 3.47Å; W750-L798 HydrophobicContact CH2-CD2 3.7Å; W750-L798 HydrophobicContact CZ3-CD2 3.53Å; F757-L798 HydrophobicContact CE2-CD2 4.49Å; V760-L798 HydrophobicContact CG1-CD2 4.05Å; V761-L798 HydrophobicContact CG2-CD1 4.48Å; A764-L798 HydrophobicContact CB-CD1 3.47Å; A764-L798 VanDerWaalsContact CB-CD1 3.47Å; N794-L798 PolarHBondContact O-N 3.28Å; L795-L798 PolarHBondContact O-N 2.94Å; L798-S800 VanDerWaalsContact C-N 3.29Å; L798-S800 PolarHBondContact O-N 3.45Å; L798-K801 PolarHBondContact O-N 3.14Å; L798-K801 VanDerWaalsContact O-N 3.15Å; L798-A802 WeakPolarHBondContact O-CB 3.47Å; L798-A802 PolarHBondContact O-N 3.38Å; L798-M825 HydrophobicContact CB-SD 4.03Å |
| 799 | L | 84.4 | Confident | 81.7 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 4% | 0.042 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.4 | -42.7 | 174.1 | -85.9 | 155.1 | 0 | 0 | 0 | 112 | L795 R796 A802 K803 I822 M825 D826 V829 | L795-L799 WeakPolarHBondContact O-CB 3.49Å; L795-L799 PolarHBondContact O-N 3.43Å; R796-L799 PolarHBondContact O-N 3.04Å; L799-A802 PolarHBondContact O-N 2.74Å; L799-K803 WeakPolarHBondContact O-CG 3.39Å; L799-K803 PolarHBondContact O-N 3.45Å; L799-K803 VanDerWaalsContact O-N 3.14Å; L799-I822 HydrophobicContact CD2-CG2 3.85Å; L799-M825 HydrophobicContact CD1-CB 3.94Å; L799-M825 HydrophobicContact CD2-CB 4.21Å; L799-M825 HydrophobicContact CD2-CE 4.29Å; L799-M825 HydrophobicContact CG-CB 3.98Å; L799-M825 HydrophobicContact CG-CE 4.24Å; L799-M825 HydrophobicContact CG-SD 4.28Å; L799-D826 WeakPolarHBondContact CD1-OD1 3.27Å; L799-V829 HydrophobicContact CD1-CG2 4.07Å |
| 800 | S | 85.3 | Confident | 79.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 112.1 | R796 G797 L798 K803 Q804 | R796-S800 PolarHBondContact O-N 3.3Å; G797-S800 PolarHBondContact O-N 2.99Å; L798-S800 VanDerWaalsContact C-N 3.29Å; L798-S800 PolarHBondContact O-N 3.45Å; S800-K803 PolarHBondContact O-N 3.26Å; S800-Q804 PolarHBondContact O-N 3.4Å |
| 801 | K | 84.1 | Confident | 78.5 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 31% | 0.309 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.2 | -37.3 | 177.9 | -78 | 179.8 | 173.7 | -172.3 | 0 | 112.5 | W750 E751 F757 G797 L798 K803 Q804 L805 | W750-K801 HydrophobicContact CH2-CD 3.55Å; W750-K801 HydrophobicContact CZ2-CD 4.17Å; W750-K801 HydrophobicContact CZ3-CD 4.43Å; E751-K801 WeakPolarHBondContact OE1-CE 3.42Å; E751-K801 IonicContact OE1-NZ 3.65Å; E751-K801 PolarHBondContact OE1-NZ 3.04Å; F757-K801 HydrophobicContact CE2-CB 4.23Å; G797-K801 PolarHBondContact O-N 3.07Å; L798-K801 PolarHBondContact O-N 3.14Å; L798-K801 VanDerWaalsContact O-N 3.15Å; K801-K803 VanDerWaalsContact C-N 3.32Å; K801-K803 PolarHBondContact O-N 3.13Å; K801-Q804 PolarHBondContact O-N 3.24Å; K801-L805 WeakPolarHBondContact O-CB 3.25Å; K801-L805 PolarHBondContact O-N 3.12Å |
| 802 | A | 82.1 | Confident | 77.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.6 | -47.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F757 L798 L799 Q804 L805 F806 M814 I822 | F757-A802 HydrophobicContact CE1-CB 3.81Å; F757-A802 HydrophobicContact CZ-CB 3.72Å; L798-A802 WeakPolarHBondContact O-CB 3.47Å; L798-A802 PolarHBondContact O-N 3.38Å; L799-A802 PolarHBondContact O-N 2.74Å; A802-Q804 PolarHBondContact O-N 2.9Å; A802-L805 PolarHBondContact O-N 3.02Å; A802-F806 PolarHBondContact O-N 3.31Å; A802-M814 HydrophobicContact CB-CE 4.4Å; A802-M814 VanDerWaalsContact O-CE 3.3Å; A802-M814 WeakPolarHBondContact O-CE 3.29Å; A802-I822 HydrophobicContact CB-CD1 4.24Å; A802-I822 HydrophobicContact CB-CG1 4.44Å |
| 803 | K | 79.5 | Confident | 75.7 | Confident | 127 Ų | 127 | 71 Ų | 71 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.9 | -12.1 | 175.8 | -70 | 175.9 | -177.3 | 179.3 | 0 | 114.8 | L799 S800 K801 T807 | L799-K803 WeakPolarHBondContact O-CG 3.39Å; L799-K803 PolarHBondContact O-N 3.45Å; L799-K803 VanDerWaalsContact O-N 3.14Å; S800-K803 PolarHBondContact O-N 3.26Å; K801-K803 VanDerWaalsContact C-N 3.32Å; K801-K803 PolarHBondContact O-N 3.13Å; K803-T807 WeakPolarHBondContact CA-OG1 3.49Å; K803-T807 PolarHBondContact O-OG1 3Å |
| 804 | Q | 81 | Confident | 74.4 | Confident | 150 Ų | 150 | 68.3 Ų | 68.3 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -97.9 | -37.2 | 178.4 | -174 | 179.7 | -0.7 | 0 | 0 | 111.7 | S800 K801 A802 | S800-Q804 PolarHBondContact O-N 3.4Å; K801-Q804 PolarHBondContact O-N 3.24Å; A802-Q804 PolarHBondContact O-N 2.9Å |
| 805 | L | 76.8 | Confident | 73.4 | Confident | 78 Ų | 78 | 67.6 Ų | 67.6 | 41% | 0.408 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -103 | -26.1 | -168.7 | -66 | 171.6 | 0 | 0 | 0 | 114 | E751 K801 A802 | E751-L805 HydrophobicContact CB-CD1 3.91Å; E751-L805 HydrophobicContact CG-CD1 4.28Å; K801-L805 WeakPolarHBondContact O-CB 3.25Å; K801-L805 PolarHBondContact O-N 3.12Å; A802-L805 PolarHBondContact O-N 3.02Å |
| 806 | F | 75.7 | Confident | 72.4 | Confident | 28 Ų | 28 | 77.9 Ų | 77.9 | 12% | 0.123 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -126.3 | 26.4 | -169.1 | -55.4 | -68.3 | 0 | 0 | 0 | 113.8 | I754 F757 A802 M814 S815 L818 | I754-F806 HydrophobicContact CB-CE1 4.46Å; I754-F806 HydrophobicContact CD1-CD1 4.2Å; I754-F806 HydrophobicContact CG1-CD1 3.48Å; I754-F806 VanDerWaalsContact CG1-CD1 3.48Å; I754-F806 HydrophobicContact CG1-CE1 3.49Å; I754-F806 VanDerWaalsContact CG1-CE1 3.49Å; I754-F806 HydrophobicContact CG1-CG 4.38Å; I754-F806 HydrophobicContact CG1-CZ 4.41Å; F757-F806 HydrophobicContact CB-CE2 3.86Å; F757-F806 HydrophobicContact CB-CZ 4Å; F757-F806 HydrophobicContact CD1-CD2 4.17Å; F757-F806 AromaticContact CD1-CE2 3.8Å; F757-F806 HydrophobicContact CD1-CE2 3.8Å; F757-F806 AromaticContact CD2-CE2 3.62Å; F757-F806 HydrophobicContact CD2-CE2 3.62Å; F757-F806 HydrophobicContact CD2-CZ 4.38Å; F757-F806 HydrophobicContact CE1-CD2 4.33Å; F757-F806 HydrophobicContact CE1-CE2 4.25Å; F757-F806 HydrophobicContact CE2-CE2 4.06Å; F757-F806 HydrophobicContact CG-CD2 4.29Å; F757-F806 AromaticContact CG-CE2 3.47Å; F757-F806 HydrophobicContact CG-CE2 3.47Å; F757-F806 VanDerWaalsContact CG-CE2 3.47Å; F757-F806 HydrophobicContact CG-CZ 4.13Å; F757-F806 HydrophobicContact CZ-CE2 4.38Å; A802-F806 PolarHBondContact O-N 3.31Å; F806-M814 HydrophobicContact CB-CE 4.18Å; F806-M814 WeakPolarHBondContact O-CE 3.32Å; F806-S815 PolarHBondContact O-N 3.38Å; F806-L818 HydrophobicContact CB-CD1 4.08Å; F806-L818 HydrophobicContact CD2-CD1 4.1Å; F806-L818 HydrophobicContact CG-CD1 4Å |
| 807 | T | 73.4 | Confident | 71.5 | Confident | 47 Ų | 47 | 78 Ų | 78 | 29% | 0.288 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -103.7 | 123.8 | 175.1 | -27 | 0 | 0 | 0 | 0 | 108.1 | K803 V809 M814 | K803-T807 WeakPolarHBondContact CA-OG1 3.49Å; K803-T807 PolarHBondContact O-OG1 3Å; T807-V809 PolarHBondContact O-N 3.26Å; T807-M814 VanDerWaalsContact CB-SD 3.56Å; T807-M814 HydrophobicContact CG2-CG 4.21Å; T807-M814 HydrophobicContact CG2-SD 3.34Å; T807-M814 WeakPolarHBondContact CG2-SD 3.26Å; T807-M814 PolarHBondContact OG1-SD 3.47Å |
| 808 | D | 62 | Low | 71 | Confident | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 41% | 0.412 | S | S | . | . | trans | -67.8 | 121.7 | 178.4 | -177.6 | -14.6 | 0 | 0 | 0 | 109.6 | A810 T811 G812 E813 | D808-A810 PolarHBondContact O-N 3.38Å; D808-A810 PolarHBondContact OD1-N 3.03Å; D808-T811 VanDerWaalsContact CB-OG1 3.31Å; D808-T811 WeakPolarHBondContact CB-OG1 3.32Å; D808-T811 VanDerWaalsContact CG-OG1 3.28Å; D808-T811 PolarHBondContact O-N 3.21Å; D808-T811 PolarHBondContact OD2-OG1 2.89Å; D808-G812 WeakPolarHBondContact O-CA 3.21Å; D808-G812 PolarHBondContact O-N 3.4Å; D808-E813 WeakPolarHBondContact CB-O 3.5Å; D808-E813 PolarHBondContact N-O 3.23Å; D808-E813 VanDerWaalsContact N-O 3.15Å | ||
| 809 | V | 58.7 | Low | 70.6 | Confident | 153 Ų | 153 | 78.1 Ų | 78.1 | 93% | 0.927 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.1 | -174.8 | -177.4 | 0 | 0 | 0 | 0 | 111.9 | T807 | T807-V809 PolarHBondContact O-N 3.26Š|
| 810 | A | 49.4 | Very low | 70.4 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 76% | 0.76 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -29.8 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | D808 | D808-A810 PolarHBondContact O-N 3.38Å; D808-A810 PolarHBondContact OD1-N 3.03Å |
| 811 | T | 58 | Low | 70.2 | Confident | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -18.5 | -174.3 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | D808 E813 | D808-T811 VanDerWaalsContact CB-OG1 3.31Å; D808-T811 WeakPolarHBondContact CB-OG1 3.32Å; D808-T811 VanDerWaalsContact CG-OG1 3.28Å; D808-T811 PolarHBondContact O-N 3.21Å; D808-T811 PolarHBondContact OD2-OG1 2.89Å; T811-E813 PolarHBondContact O-N 3.09Å; T811-E813 VanDerWaalsContact O-N 3.12Å; T811-E813 PolarHBondContact OG1-N 2.88Å |
| 812 | G | 59 | Low | 70.1 | Confident | 57 Ų | 57 | 78.5 Ų | 78.5 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | trans | 66.6 | 1.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D808 | D808-G812 WeakPolarHBondContact O-CA 3.21Å; D808-G812 PolarHBondContact O-N 3.4Å | ||
| 813 | E | 58.8 | Low | 70.2 | Confident | 123 Ų | 123 | 82.4 Ų | 82.4 | 58% | 0.575 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 130.4 | 176.4 | -68 | -168.8 | 168.5 | 0 | 0 | 109.4 | D808 T811 | D808-E813 WeakPolarHBondContact CB-O 3.5Å; D808-E813 PolarHBondContact N-O 3.23Å; D808-E813 VanDerWaalsContact N-O 3.15Å; T811-E813 PolarHBondContact O-N 3.09Å; T811-E813 VanDerWaalsContact O-N 3.12Å; T811-E813 PolarHBondContact OG1-N 2.88Å |
| 814 | M | 61.8 | Low | 70.5 | Confident | 50 Ų | 50 | 78 Ų | 78 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 150.2 | 174.4 | -73.7 | -63.1 | -59.2 | 0 | 0 | 110.3 | A802 F806 T807 R816 I822 | A802-M814 HydrophobicContact CB-CE 4.4Å; A802-M814 VanDerWaalsContact O-CE 3.3Å; A802-M814 WeakPolarHBondContact O-CE 3.29Å; F806-M814 HydrophobicContact CB-CE 4.18Å; F806-M814 WeakPolarHBondContact O-CE 3.32Å; T807-M814 VanDerWaalsContact CB-SD 3.56Å; T807-M814 HydrophobicContact CG2-CG 4.21Å; T807-M814 HydrophobicContact CG2-SD 3.34Å; T807-M814 WeakPolarHBondContact CG2-SD 3.26Å; T807-M814 PolarHBondContact OG1-SD 3.47Å; M814-R816 PolarHBondContact O-N 3.05Å; M814-R816 VanDerWaalsContact O-N 3.15Å; M814-I822 HydrophobicContact CE-CD1 3.59Å |
| 815 | S | 65.3 | Low | 70.8 | Confident | 34 Ų | 34 | 70.9 Ų | 70.9 | 24% | 0.238 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 123.8 | 172 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | F806 E817 L818 | F806-S815 PolarHBondContact O-N 3.38Å; S815-E817 PolarHBondContact O-N 3.12Å; S815-L818 PolarHBondContact O-N 3.49Å; S815-L818 VanDerWaalsContact O-N 3.09Å |
| 816 | R | 66.9 | Low | 71.2 | Confident | 216 Ų | 216 | 70.3 Ų | 70.3 | 82% | 0.815 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -57.1 | -24.8 | -178.9 | -70.3 | -177.7 | -176.4 | 166 | 2.3 | 112.8 | M814 L818 | M814-R816 PolarHBondContact O-N 3.05Å; M814-R816 VanDerWaalsContact O-N 3.15Å; R816-L818 VanDerWaalsContact C-N 3.28Å; R816-L818 PolarHBondContact O-N 2.7Å |
| 817 | E | 68.1 | Low | 71.8 | Confident | 124 Ų | 124 | 73.3 Ų | 73.3 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -73.3 | -16.3 | -178.9 | -63.3 | -178.6 | 171.7 | 0 | 0 | 114.4 | I754 K758 S815 | I754-E817 HydrophobicContact CG2-CB 4.45Å; K758-E817 PolarHBondContact NZ-O 3.2Å; S815-E817 PolarHBondContact O-N 3.12Å |
| 818 | L | 74.9 | Confident | 72.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -110.5 | -6.1 | -178.4 | -90.6 | 150.3 | 0 | 0 | 0 | 113.4 | I754 F757 F806 S815 R816 D820 D821 I822 | I754-L818 HydrophobicContact CG1-CD1 4.4Å; I754-L818 HydrophobicContact CG2-CD1 3.82Å; I754-L818 HydrophobicContact CG2-CG 4.35Å; F757-L818 HydrophobicContact CD1-CD1 4.37Å; F757-L818 HydrophobicContact CD1-CD2 3.72Å; F757-L818 HydrophobicContact CE1-CD2 3.93Å; F806-L818 HydrophobicContact CB-CD1 4.08Å; F806-L818 HydrophobicContact CD2-CD1 4.1Å; F806-L818 HydrophobicContact CG-CD1 4Å; S815-L818 PolarHBondContact O-N 3.49Å; S815-L818 VanDerWaalsContact O-N 3.09Å; R816-L818 VanDerWaalsContact C-N 3.28Å; R816-L818 PolarHBondContact O-N 2.7Å; L818-D820 PolarHBondContact O-N 2.66Å; L818-D821 PolarHBondContact O-N 3.47Å; L818-I822 HydrophobicContact CB-CD1 4.13Å; L818-I822 WeakPolarHBondContact O-CB 3.44Å; L818-I822 VanDerWaalsContact O-CG1 3.25Å; L818-I822 WeakPolarHBondContact O-CG1 3.49Å; L818-I822 PolarHBondContact O-N 3.32Å |
| 819 | A | 77 | Confident | 73.7 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I822 T823 | A819-I822 PolarHBondContact O-N 3Å; A819-T823 WeakPolarHBondContact O-CG2 3.29Å; A819-T823 PolarHBondContact O-N 2.99Å; A819-T823 PolarHBondContact O-OG1 3.44Å |
| 820 | D | 80.4 | Confident | 75 | Confident | 125 Ų | 125 | 66 Ų | 66 | 67% | 0.668 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -66.5 | -40.6 | 178.4 | -63.5 | -20.7 | 0 | 0 | 0 | 111.8 | L818 T823 A824 | L818-D820 PolarHBondContact O-N 2.66Å; D820-T823 WeakPolarHBondContact CA-OG1 3.34Å; D820-T823 PolarHBondContact O-OG1 2.67Å; D820-A824 WeakPolarHBondContact O-CB 3.4Å; D820-A824 PolarHBondContact O-N 2.85Å |
| 821 | D | 81.9 | Confident | 76.9 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.5 | -36.5 | 179.3 | -62.5 | -63.2 | 0 | 0 | 0 | 111.5 | K758 V761 L818 A824 M825 | K758-D821 WeakPolarHBondContact CE-OD2 3.32Å; K758-D821 IonicContact NZ-OD2 2.82Å; K758-D821 PolarHBondContact NZ-OD2 3.17Å; V761-D821 HydrophobicContact CG1-CB 3.8Å; L818-D821 PolarHBondContact O-N 3.47Å; D821-A824 PolarHBondContact O-N 2.91Å; D821-M825 VanDerWaalsContact O-CG 3.3Å; D821-M825 WeakPolarHBondContact O-CG 3.26Å; D821-M825 PolarHBondContact O-N 3.4Å |
| 822 | I | 81.6 | Confident | 78.2 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 175.9 | -71.9 | 167.7 | 0 | 0 | 0 | 111.3 | L799 A802 M814 L818 A819 A824 M825 D826 | L799-I822 HydrophobicContact CD2-CG2 3.85Å; A802-I822 HydrophobicContact CB-CD1 4.24Å; A802-I822 HydrophobicContact CB-CG1 4.44Å; M814-I822 HydrophobicContact CE-CD1 3.59Å; L818-I822 HydrophobicContact CB-CD1 4.13Å; L818-I822 WeakPolarHBondContact O-CB 3.44Å; L818-I822 VanDerWaalsContact O-CG1 3.25Å; L818-I822 WeakPolarHBondContact O-CG1 3.49Å; L818-I822 PolarHBondContact O-N 3.32Å; A819-I822 PolarHBondContact O-N 3Å; I822-A824 VanDerWaalsContact C-N 3.32Å; I822-A824 PolarHBondContact O-N 2.95Å; I822-M825 HydrophobicContact CB-CE 4.4Å; I822-M825 HydrophobicContact CG1-CE 3.88Å; I822-M825 PolarHBondContact O-N 3.25Å; I822-D826 PolarHBondContact O-N 3.36Å |
| 823 | T | 84.2 | Confident | 79.5 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.6 | 48.5 | 0 | 0 | 0 | 0 | 111.6 | A819 D820 D826 T827 | A819-T823 WeakPolarHBondContact O-CG2 3.29Å; A819-T823 PolarHBondContact O-N 2.99Å; A819-T823 PolarHBondContact O-OG1 3.44Å; D820-T823 WeakPolarHBondContact CA-OG1 3.34Å; D820-T823 PolarHBondContact O-OG1 2.67Å; T823-D826 PolarHBondContact O-N 3.42Å; T823-T827 WeakPolarHBondContact O-CB 3.33Å; T823-T827 PolarHBondContact O-N 3.44Å; T823-T827 PolarHBondContact O-OG1 3.48Å |
| 824 | A | 85.4 | Confident | 80.8 | Confident | 36 Ų | 36 | 60 Ų | 60 | 30% | 0.298 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L765 D820 D821 I822 T827 L828 | L765-A824 HydrophobicContact CD1-CB 4.14Å; L765-A824 HydrophobicContact CD2-CB 4.21Å; D820-A824 WeakPolarHBondContact O-CB 3.4Å; D820-A824 PolarHBondContact O-N 2.85Å; D821-A824 PolarHBondContact O-N 2.91Å; I822-A824 VanDerWaalsContact C-N 3.32Å; I822-A824 PolarHBondContact O-N 2.95Å; A824-T827 PolarHBondContact O-N 3.33Å; A824-L828 PolarHBondContact O-N 3.06Å |
| 825 | M | 87.3 | Confident | 81.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 175.6 | -74.4 | -171.4 | -73.4 | 0 | 0 | 112.1 | V761 L765 L795 L798 L799 D821 I822 T827 L828 V829 | V761-M825 HydrophobicContact CB-SD 4.4Å; V761-M825 HydrophobicContact CG1-CE 3.71Å; V761-M825 HydrophobicContact CG1-CG 3.94Å; V761-M825 HydrophobicContact CG1-SD 3.57Å; V761-M825 VanDerWaalsContact CG1-SD 3.57Å; V761-M825 HydrophobicContact CG2-CE 4.03Å; V761-M825 HydrophobicContact CG2-SD 4.07Å; L765-M825 HydrophobicContact CD2-CB 4.37Å; L765-M825 HydrophobicContact CD2-CG 3.69Å; L765-M825 HydrophobicContact CG-CG 4.2Å; L795-M825 HydrophobicContact CD2-CG 4.12Å; L795-M825 HydrophobicContact CD2-SD 4.46Å; L798-M825 HydrophobicContact CB-SD 4.03Å; L799-M825 HydrophobicContact CD1-CB 3.94Å; L799-M825 HydrophobicContact CD2-CB 4.21Å; L799-M825 HydrophobicContact CD2-CE 4.29Å; L799-M825 HydrophobicContact CG-CB 3.98Å; L799-M825 HydrophobicContact CG-CE 4.24Å; L799-M825 HydrophobicContact CG-SD 4.28Å; D821-M825 VanDerWaalsContact O-CG 3.3Å; D821-M825 WeakPolarHBondContact O-CG 3.26Å; D821-M825 PolarHBondContact O-N 3.4Å; I822-M825 HydrophobicContact CB-CE 4.4Å; I822-M825 HydrophobicContact CG1-CE 3.88Å; I822-M825 PolarHBondContact O-N 3.25Å; M825-T827 VanDerWaalsContact C-N 3.34Å; M825-T827 PolarHBondContact O-N 3.3Å; M825-L828 PolarHBondContact O-N 3.33Å; M825-V829 WeakPolarHBondContact O-CB 3.34Å; M825-V829 VanDerWaalsContact O-CG2 3.23Å; M825-V829 WeakPolarHBondContact O-CG2 3.34Å; M825-V829 PolarHBondContact O-N 3.44Å |
| 826 | D | 85.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 57 Ų | 57 | 35% | 0.353 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 178.8 | -85.5 | -31.6 | 0 | 0 | 0 | 111.6 | L799 I822 T823 V829 L830 | L799-D826 WeakPolarHBondContact CD1-OD1 3.27Å; I822-D826 PolarHBondContact O-N 3.36Å; T823-D826 PolarHBondContact O-N 3.42Å; D826-V829 PolarHBondContact O-N 3.01Å; D826-L830 WeakPolarHBondContact O-CG 3.46Å; D826-L830 PolarHBondContact O-N 2.9Å; D826-L830 VanDerWaalsContact O-N 3.16Å |
| 827 | T | 88.3 | Confident | 83.5 | Confident | 90 Ų | 90 | 49.5 Ų | 49.5 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.1 | -48.9 | 177.1 | -52.8 | 0 | 0 | 0 | 0 | 111.4 | T823 A824 M825 V829 L830 E831 | T823-T827 WeakPolarHBondContact O-CB 3.33Å; T823-T827 PolarHBondContact O-N 3.44Å; T823-T827 PolarHBondContact O-OG1 3.48Å; A824-T827 PolarHBondContact O-N 3.33Å; M825-T827 VanDerWaalsContact C-N 3.34Å; M825-T827 PolarHBondContact O-N 3.3Å; T827-V829 VanDerWaalsContact C-N 3.34Å; T827-V829 PolarHBondContact O-N 3.21Å; T827-L830 PolarHBondContact O-N 2.95Å; T827-E831 PolarHBondContact O-N 2.9Å |
| 828 | L | 87.7 | Confident | 84.2 | Confident | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 177.7 | -87.9 | 153.5 | 0 | 0 | 0 | 112.8 | L765 A768 I772 L795 A824 M825 L830 E831 L832 | L765-L828 HydrophobicContact CD2-CD1 3.45Å; L765-L828 VanDerWaalsContact CD2-CD1 3.45Å; A768-L828 HydrophobicContact CB-CD2 4.21Å; I772-L828 HydrophobicContact CD1-CD2 3.69Å; L795-L828 HydrophobicContact CD1-CB 4.2Å; A824-L828 PolarHBondContact O-N 3.06Å; M825-L828 PolarHBondContact O-N 3.33Å; L828-L830 VanDerWaalsContact C-N 3.31Å; L828-L830 PolarHBondContact O-N 3.01Å; L828-E831 PolarHBondContact O-N 3.2Å; L828-L832 VanDerWaalsContact O-CB 3.29Å; L828-L832 WeakPolarHBondContact O-CB 3.43Å; L828-L832 WeakPolarHBondContact O-CG 3.42Å; L828-L832 PolarHBondContact O-N 3.39Å |
| 829 | V | 87.3 | Confident | 84.4 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -38.9 | 174.8 | 164.3 | 0 | 0 | 0 | 0 | 111.4 | R792 L795 R796 L799 M825 D826 T827 Q833 | R792-V829 HydrophobicContact CG-CG1 4.08Å; L795-V829 HydrophobicContact CB-CG2 3.63Å; L795-V829 HydrophobicContact CD1-CG2 4.09Å; R796-V829 HydrophobicContact CG-CG1 4.05Å; R796-V829 HydrophobicContact CG-CG2 4.24Å; L799-V829 HydrophobicContact CD1-CG2 4.07Å; M825-V829 WeakPolarHBondContact O-CB 3.34Å; M825-V829 VanDerWaalsContact O-CG2 3.23Å; M825-V829 WeakPolarHBondContact O-CG2 3.34Å; M825-V829 PolarHBondContact O-N 3.44Å; D826-V829 PolarHBondContact O-N 3.01Å; T827-V829 VanDerWaalsContact C-N 3.34Å; T827-V829 PolarHBondContact O-N 3.21Å; V829-Q833 WeakPolarHBondContact O-CB 3.19Å; V829-Q833 PolarHBondContact O-N 3.3Å |
| 830 | L | 86.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 54.8 Ų | 54.8 | 60% | 0.602 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68.1 | -47.3 | 173.8 | -68.7 | 170.5 | 0 | 0 | 0 | 111 | D826 T827 L828 L832 Q833 D834 | D826-L830 WeakPolarHBondContact O-CG 3.46Å; D826-L830 PolarHBondContact O-N 2.9Å; D826-L830 VanDerWaalsContact O-N 3.16Å; T827-L830 PolarHBondContact O-N 2.95Å; L828-L830 VanDerWaalsContact C-N 3.31Å; L828-L830 PolarHBondContact O-N 3.01Å; L830-L832 PolarHBondContact O-N 3.16Å; L830-Q833 WeakPolarHBondContact O-CA 3.31Å; L830-Q833 VanDerWaalsContact O-CB 3.31Å; L830-Q833 WeakPolarHBondContact O-CB 3.39Å; L830-Q833 PolarHBondContact O-N 3.26Å; L830-D834 PolarHBondContact O-N 3.21Å |
| 831 | E | 88.2 | Confident | 84.1 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 179.4 | -167.5 | -176.6 | 175.9 | 0 | 0 | 112.3 | I772 T827 L828 Q833 D834 L835 | I772-E831 HydrophobicContact CD1-CG 4.5Å; T827-E831 PolarHBondContact O-N 2.9Å; L828-E831 PolarHBondContact O-N 3.2Å; E831-Q833 VanDerWaalsContact C-N 3.27Å; E831-Q833 PolarHBondContact O-N 3.23Å; E831-D834 PolarHBondContact O-N 3.24Å; E831-L835 HydrophobicContact CG-CD1 4.13Å; E831-L835 WeakPolarHBondContact O-CB 3.36Å; E831-L835 PolarHBondContact O-N 3.37Å |
| 832 | L | 86.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | 174.5 | -71.7 | 171.6 | 0 | 0 | 0 | 112.2 | A768 I772 L788 V791 R792 L795 L828 L830 S836 | A768-L832 HydrophobicContact CB-CD1 4.28Å; I772-L832 HydrophobicContact CD1-CD2 3.96Å; I772-L832 HydrophobicContact CD1-CG 4.45Å; I772-L832 HydrophobicContact CG1-CD2 3.53Å; I772-L832 HydrophobicContact CG1-CG 4.5Å; L788-L832 HydrophobicContact CB-CD2 4.38Å; L788-L832 HydrophobicContact CD2-CD2 3.41Å; L788-L832 VanDerWaalsContact CD2-CD2 3.41Å; L788-L832 HydrophobicContact CG-CD2 4.48Å; V791-L832 HydrophobicContact CG1-CD1 4.37Å; R792-L832 HydrophobicContact CB-CB 4.24Å; R792-L832 HydrophobicContact CB-CD1 4.05Å; R792-L832 HydrophobicContact CG-CB 4.42Å; L795-L832 HydrophobicContact CD1-CD1 3.9Å; L828-L832 VanDerWaalsContact O-CB 3.29Å; L828-L832 WeakPolarHBondContact O-CB 3.43Å; L828-L832 WeakPolarHBondContact O-CG 3.42Å; L828-L832 PolarHBondContact O-N 3.39Å; L830-L832 PolarHBondContact O-N 3.16Å; L832-S836 WeakPolarHBondContact O-CB 3.38Å; L832-S836 PolarHBondContact O-N 3.33Å |
| 833 | Q | 86.2 | Confident | 81.9 | Confident | 46 Ų | 46 | 69 Ų | 69 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.8 | -44.6 | 177.2 | -178.3 | 64.9 | 47.2 | 0 | 0 | 111.2 | V829 L830 E831 S836 N837 | V829-Q833 WeakPolarHBondContact O-CB 3.19Å; V829-Q833 PolarHBondContact O-N 3.3Å; L830-Q833 WeakPolarHBondContact O-CA 3.31Å; L830-Q833 VanDerWaalsContact O-CB 3.31Å; L830-Q833 WeakPolarHBondContact O-CB 3.39Å; L830-Q833 PolarHBondContact O-N 3.26Å; E831-Q833 VanDerWaalsContact C-N 3.27Å; E831-Q833 PolarHBondContact O-N 3.23Å; Q833-S836 PolarHBondContact O-N 3.48Å; Q833-N837 PolarHBondContact NE2-OD1 3.08Å; Q833-N837 VanDerWaalsContact O-CG 3.23Å; Q833-N837 PolarHBondContact O-N 3.1Å; Q833-N837 PolarHBondContact O-ND2 3.41Å |
| 834 | D | 85.4 | Confident | 81.8 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.4 | -45.9 | -179.3 | -72.5 | -18.3 | 0 | 0 | 0 | 111.4 | L830 E831 S836 N837 Q838 | L830-D834 PolarHBondContact O-N 3.21Å; E831-D834 PolarHBondContact O-N 3.24Å; D834-S836 VanDerWaalsContact C-N 3.32Å; D834-S836 PolarHBondContact O-N 2.65Å; D834-N837 WeakPolarHBondContact O-CB 3.27Å; D834-N837 PolarHBondContact O-N 3.07Å; D834-N837 VanDerWaalsContact O-N 3.13Å; D834-Q838 WeakPolarHBondContact O-CG 3.42Å; D834-Q838 PolarHBondContact O-N 2.96Å |
| 835 | L | 84.2 | Confident | 81.6 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.8 | -43.1 | 172.4 | -85.9 | 154.5 | 0 | 0 | 0 | 111.8 | I772 L788 E831 N837 Q838 F839 | I772-L835 HydrophobicContact CD1-CD1 4.47Å; I772-L835 HydrophobicContact CG1-CD1 4.09Å; I772-L835 HydrophobicContact CG2-CD1 3.81Å; L788-L835 HydrophobicContact CD1-CB 4.01Å; E831-L835 HydrophobicContact CG-CD1 4.13Å; E831-L835 WeakPolarHBondContact O-CB 3.36Å; E831-L835 PolarHBondContact O-N 3.37Å; L835-N837 VanDerWaalsContact C-N 3.28Å; L835-N837 PolarHBondContact O-N 2.78Å; L835-Q838 PolarHBondContact O-N 2.96Å; L835-F839 HydrophobicContact CD2-CE2 4.23Å; L835-F839 WeakPolarHBondContact O-CD2 3.49Å; L835-F839 PolarHBondContact O-N 3.22Å; L835-F839 VanDerWaalsContact O-N 3.08Å |
| 836 | S | 83.1 | Confident | 81.3 | Confident | 2 Ų | 2 | 74.1 Ų | 74.1 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.6 | -33.7 | 176.5 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | L832 Q833 D834 R840 | L832-S836 WeakPolarHBondContact O-CB 3.38Å; L832-S836 PolarHBondContact O-N 3.33Å; Q833-S836 PolarHBondContact O-N 3.48Å; D834-S836 VanDerWaalsContact C-N 3.32Å; D834-S836 PolarHBondContact O-N 2.65Å; S836-R840 VanDerWaalsContact O-CG 3.32Å; S836-R840 WeakPolarHBondContact O-CG 3.4Å; S836-R840 PolarHBondContact O-N 2.69Å |
| 837 | N | 83.7 | Confident | 81 | Confident | 59 Ų | 59 | 74.5 Ų | 74.5 | 32% | 0.316 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.6 | -39.1 | 175.3 | -70.5 | -20.5 | 0 | 0 | 0 | 111.1 | Q833 D834 L835 R840 N841 | Q833-N837 PolarHBondContact NE2-OD1 3.08Å; Q833-N837 VanDerWaalsContact O-CG 3.23Å; Q833-N837 PolarHBondContact O-N 3.1Å; Q833-N837 PolarHBondContact O-ND2 3.41Å; D834-N837 WeakPolarHBondContact O-CB 3.27Å; D834-N837 PolarHBondContact O-N 3.07Å; D834-N837 VanDerWaalsContact O-N 3.13Å; L835-N837 VanDerWaalsContact C-N 3.28Å; L835-N837 PolarHBondContact O-N 2.78Å; N837-R840 PolarHBondContact O-N 3.32Å; N837-N841 PolarHBondContact O-N 3.5Å; N837-N841 VanDerWaalsContact O-N 3.08Å; N837-N841 PolarHBondContact O-ND2 2.96Å; N837-N841 PolarHBondContact O-OD1 3.47Å |
| 838 | Q | 81.9 | Confident | 80.6 | Confident | 115 Ų | 115 | 73.6 Ų | 73.6 | 54% | 0.537 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 175.7 | -71.9 | 173.8 | 0.2 | 0 | 0 | 112.2 | D834 L835 R840 N841 Q842 | D834-Q838 WeakPolarHBondContact O-CG 3.42Å; D834-Q838 PolarHBondContact O-N 2.96Å; L835-Q838 PolarHBondContact O-N 2.96Å; Q838-R840 VanDerWaalsContact C-N 3.35Å; Q838-R840 PolarHBondContact O-N 3.17Å; Q838-N841 PolarHBondContact O-N 3.22Å; Q838-Q842 PolarHBondContact O-N 3.2Å |
| 839 | F | 80.8 | Confident | 80.1 | Confident | 26 Ų | 26 | 77.9 Ų | 77.9 | 11% | 0.114 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.1 | -30.7 | 176.9 | -74.3 | -64.7 | 0 | 0 | 0 | 113.5 | S775 A784 V785 L788 L835 N841 Q842 | S775-F839 WeakPolarHBondContact O-CZ 3.37Å; A784-F839 HydrophobicContact CB-CD1 4.42Å; A784-F839 HydrophobicContact CB-CD2 4.24Å; A784-F839 HydrophobicContact CB-CE2 4.42Å; A784-F839 HydrophobicContact CB-CG 4.25Å; V785-F839 HydrophobicContact CG2-CB 3.63Å; L788-F839 HydrophobicContact CD1-CD2 3.97Å; L788-F839 HydrophobicContact CD1-CE2 4.13Å; L835-F839 HydrophobicContact CD2-CE2 4.23Å; L835-F839 WeakPolarHBondContact O-CD2 3.49Å; L835-F839 PolarHBondContact O-N 3.22Å; L835-F839 VanDerWaalsContact O-N 3.08Å; F839-N841 VanDerWaalsContact C-N 3.31Å; F839-Q842 PolarHBondContact O-N 3.07Å |
| 840 | R | 77.8 | Confident | 79.6 | Confident | 136 Ų | 136 | 82.8 Ų | 82.8 | 51% | 0.513 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.1 | -31.8 | 173.2 | -78 | 177.4 | -175.1 | -175.7 | -1.3 | 112.8 | V785 S836 N837 Q838 Q842 Y843 | V785-R840 HydrophobicContact CG1-CG 4.16Å; V785-R840 HydrophobicContact CG2-CG 3.85Å; S836-R840 VanDerWaalsContact O-CG 3.32Å; S836-R840 WeakPolarHBondContact O-CG 3.4Å; S836-R840 PolarHBondContact O-N 2.69Å; N837-R840 PolarHBondContact O-N 3.32Å; Q838-R840 VanDerWaalsContact C-N 3.35Å; Q838-R840 PolarHBondContact O-N 3.17Å; R840-Q842 VanDerWaalsContact C-N 3.27Å; R840-Y843 WeakPolarHBondContact O-CB 3.3Å; R840-Y843 PolarHBondContact O-N 3.42Å |
| 841 | N | 73.4 | Confident | 79 | Confident | 138 Ų | 138 | 80.3 Ų | 80.3 | 74% | 0.738 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -9.3 | 177.8 | -65.3 | -15.4 | 0 | 0 | 0 | 113 | N837 Q838 F839 Y843 | N837-N841 PolarHBondContact O-N 3.5Å; N837-N841 VanDerWaalsContact O-N 3.08Å; N837-N841 PolarHBondContact O-ND2 2.96Å; N837-N841 PolarHBondContact O-OD1 3.47Å; Q838-N841 PolarHBondContact O-N 3.22Å; F839-N841 VanDerWaalsContact C-N 3.31Å; N841-Y843 VanDerWaalsContact C-N 3.35Å |
| 842 | Q | 64.3 | Low | 78.3 | Confident | 134 Ų | 134 | 79.8 Ų | 79.8 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 0.4 | 171.7 | -71 | 176.9 | -8.6 | 0 | 0 | 112.9 | Q838 F839 R840 | Q838-Q842 PolarHBondContact O-N 3.2Å; F839-Q842 PolarHBondContact O-N 3.07Å; R840-Q842 VanDerWaalsContact C-N 3.27Å |
| 843 | Y | 51.8 | Low | 77.5 | Confident | 189 Ų | 189 | 87.1 Ų | 87.1 | 74% | 0.741 | 40% | 0.402 | S | S | * | . | trans | -91.6 | 0 | -179.2 | -151 | -91 | 0 | 0 | 0 | 112.6 | P781 Q782 R840 N841 | P781-Y843 HydrophobicContact CB-CD2 4.26Å; P781-Y843 HydrophobicContact CG-CD2 4.49Å; Q782-Y843 HydrophobicContact CB-CE2 4.38Å; Q782-Y843 VanDerWaalsContact CD-CE2 3.43Å; Q782-Y843 HydrophobicContact CG-CD2 3.87Å; Q782-Y843 HydrophobicContact CG-CE2 3.33Å; Q782-Y843 PolarHBondContact NE2-OH 2.67Å; Q782-Y843 PolarHBondContact OE1-OH 3.5Å; R840-Y843 WeakPolarHBondContact O-CB 3.3Å; R840-Y843 PolarHBondContact O-N 3.42Å; N841-Y843 VanDerWaalsContact C-N 3.35Å |
Retrieved 843 of 843 residues in 553.2 ms
(Link to these results)