| 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 | 80.9 | Confident | 92.4 | Very high | 192 Ų | 192 | 56.6 Ų | 56.6 | 95% | 0.946 | 27% | 0.267 | S | S | * | . | 0 | -51 | 0 | -72.8 | -161.6 | 175.5 | 0 | 0 | 112.5 | T3 L4 I5 | M1-T3 PolarHBondContact O-N 2.9Å; M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.29Å; M1-I5 PolarHBondContact O-N 3.33Å | |||
| 2 | Y | 86.4 | Confident | 92.9 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 47% | 0.471 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -46.4 | -55.4 | 179.1 | -179.4 | -103.4 | 0 | 0 | 0 | 114.3 | L4 I5 V6 F186 | Y2-L4 PolarHBondContact O-N 3.19Å; Y2-L4 VanDerWaalsContact O-N 3.09Å; Y2-I5 WeakPolarHBondContact O-CB 3.41Å; Y2-I5 PolarHBondContact O-N 3.42Å; Y2-V6 HydrophobicContact CD1-CG2 3.93Å; Y2-V6 HydrophobicContact CD2-CG2 4.46Å; Y2-V6 HydrophobicContact CE1-CG2 3.64Å; Y2-V6 HydrophobicContact CE2-CG2 4.21Å; Y2-V6 HydrophobicContact CG-CG2 4.35Å; Y2-V6 VanDerWaalsContact O-CG2 3.3Å; Y2-V6 WeakPolarHBondContact O-CG2 3.49Å; Y2-V6 PolarHBondContact O-N 3.31Å; Y2-F186 HydrophobicContact CE1-CD2 4.47Å; Y2-F186 AromaticContact CZ-CD2 3.84Å; Y2-F186 WeakPolarHBondContact OH-CA 3.19Å; Y2-F186 WeakPolarHBondContact OH-CD2 3.45Å |
| 3 | T | 87.8 | Confident | 93.3 | Very high | 37 Ų | 37 | 50.2 Ų | 50.2 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -46.8 | -39.8 | 174.7 | -61.7 | 0 | 0 | 0 | 0 | 114.1 | M1 V6 L7 F189 | M1-T3 PolarHBondContact O-N 2.9Å; T3-V6 WeakPolarHBondContact O-CB 3.49Å; T3-L7 HydrophobicContact CG2-CD1 4.18Å; T3-L7 VanDerWaalsContact O-CG 3.27Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å; T3-L7 PolarHBondContact O-N 3.16Å; T3-F189 HydrophobicContact CG2-CD2 4.44Å; T3-F189 HydrophobicContact CG2-CE2 3.3Å; T3-F189 HydrophobicContact CG2-CZ 3.59Å; T3-F189 VanDerWaalsContact OG1-CE2 3.27Å; T3-F189 WeakPolarHBondContact OG1-CE2 3.03Å |
| 4 | L | 91.4 | Very high | 93.6 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 12% | 0.115 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.2 | -36 | -177.4 | -63 | -176.9 | 0 | 0 | 0 | 111.8 | M1 Y2 L7 F8 L127 L134 I138 | M1-L4 WeakPolarHBondContact O-CB 3.4Å; M1-L4 PolarHBondContact O-N 3.29Å; Y2-L4 PolarHBondContact O-N 3.19Å; Y2-L4 VanDerWaalsContact O-N 3.09Å; L4-L7 PolarHBondContact O-N 3.46Å; L4-F8 WeakPolarHBondContact O-CB 3.43Å; L4-F8 PolarHBondContact O-N 3.25Å; L4-L127 HydrophobicContact CD2-CD2 3.94Å; L4-L134 HydrophobicContact CD1-CD2 3.59Å; L4-L134 HydrophobicContact CD1-CG 4.21Å; L4-I138 HydrophobicContact CB-CD1 3.59Å; L4-I138 HydrophobicContact CD1-CD1 3.95Å; L4-I138 HydrophobicContact CD2-CD1 4.03Å; L4-I138 HydrophobicContact CG-CD1 4.04Å |
| 5 | I | 93.1 | Very high | 93.9 | Very high | 118 Ų | 118 | 43.7 Ų | 43.7 | 61% | 0.605 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -67 | -41.8 | 175.2 | -62.5 | 168.9 | 0 | 0 | 0 | 110.3 | M1 Y2 F8 Y9 | M1-I5 PolarHBondContact O-N 3.33Å; Y2-I5 WeakPolarHBondContact O-CB 3.41Å; Y2-I5 PolarHBondContact O-N 3.42Å; I5-F8 WeakPolarHBondContact O-CB 3.5Å; I5-F8 PolarHBondContact O-N 3.29Å; I5-Y9 PolarHBondContact O-N 2.9Å |
| 6 | V | 92.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.4 | -56.7 | 172.2 | 155.8 | 0 | 0 | 0 | 0 | 111.3 | Y2 T3 F8 Y9 L10 F186 F189 | Y2-V6 HydrophobicContact CD1-CG2 3.93Å; Y2-V6 HydrophobicContact CD2-CG2 4.46Å; Y2-V6 HydrophobicContact CE1-CG2 3.64Å; Y2-V6 HydrophobicContact CE2-CG2 4.21Å; Y2-V6 HydrophobicContact CG-CG2 4.35Å; Y2-V6 VanDerWaalsContact O-CG2 3.3Å; Y2-V6 WeakPolarHBondContact O-CG2 3.49Å; Y2-V6 PolarHBondContact O-N 3.31Å; T3-V6 WeakPolarHBondContact O-CB 3.49Å; V6-F8 VanDerWaalsContact C-N 3.3Å; V6-F8 PolarHBondContact O-N 2.91Å; V6-Y9 PolarHBondContact O-N 2.75Å; V6-L10 HydrophobicContact CG1-CD1 4.21Å; V6-L10 WeakPolarHBondContact O-CG 3.31Å; V6-L10 PolarHBondContact O-N 3.34Å; V6-F186 HydrophobicContact CB-CE2 3.88Å; V6-F186 HydrophobicContact CB-CZ 3.63Å; V6-F186 HydrophobicContact CG1-CE1 3.92Å; V6-F186 HydrophobicContact CG1-CE2 3.93Å; V6-F186 HydrophobicContact CG1-CZ 3.14Å; V6-F186 HydrophobicContact CG2-CD2 4.12Å; V6-F186 HydrophobicContact CG2-CE1 4.49Å; V6-F186 HydrophobicContact CG2-CE2 3.07Å; V6-F186 HydrophobicContact CG2-CZ 3.33Å; V6-F189 HydrophobicContact CG1-CD1 3.95Å; V6-F189 HydrophobicContact CG1-CE1 3.58Å; V6-F189 HydrophobicContact CG1-CZ 4.21Å |
| 7 | L | 94.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | -178.2 | -70.6 | 177.1 | 0 | 0 | 0 | 110.6 | T3 L4 Y9 L10 Y11 V119 T123 L127 | T3-L7 HydrophobicContact CG2-CD1 4.18Å; T3-L7 VanDerWaalsContact O-CG 3.27Å; T3-L7 WeakPolarHBondContact O-CG 3.37Å; T3-L7 PolarHBondContact O-N 3.16Å; L4-L7 PolarHBondContact O-N 3.46Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; L7-Y9 PolarHBondContact O-N 3.03Å; L7-L10 PolarHBondContact O-N 2.97Å; L7-Y11 HydrophobicContact CB-CD2 4.16Å; L7-Y11 HydrophobicContact CB-CE2 4.2Å; L7-Y11 HydrophobicContact CD2-CE2 4.38Å; L7-Y11 WeakPolarHBondContact O-CB 3.25Å; L7-Y11 WeakPolarHBondContact O-CD2 3.31Å; L7-Y11 PolarHBondContact O-N 3.39Å; L7-V119 HydrophobicContact CD2-CG1 4.38Å; L7-T123 HydrophobicContact CD1-CG2 4.26Å; L7-T123 WeakPolarHBondContact CD2-OG1 3.34Å; L7-L127 HydrophobicContact CD1-CD2 4.12Å; L7-L127 HydrophobicContact CD1-CG 4.44Å |
| 8 | F | 96.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 32% | 0.32 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -53.9 | -48.7 | 174.7 | 179.5 | -94.9 | 0 | 0 | 0 | 112.2 | L4 I5 V6 L12 I138 V141 C145 | L4-F8 WeakPolarHBondContact O-CB 3.43Å; L4-F8 PolarHBondContact O-N 3.25Å; I5-F8 WeakPolarHBondContact O-CB 3.5Å; I5-F8 PolarHBondContact O-N 3.29Å; V6-F8 VanDerWaalsContact C-N 3.3Å; V6-F8 PolarHBondContact O-N 2.91Å; F8-L12 HydrophobicContact CE1-CD1 3.89Å; F8-L12 HydrophobicContact CZ-CD1 4.27Å; F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.35Å; F8-L12 PolarHBondContact O-N 3.16Å; F8-I138 HydrophobicContact CB-CG2 3.71Å; F8-I138 HydrophobicContact CD2-CG2 4.25Å; F8-V141 HydrophobicContact CE2-CG1 4.09Å; F8-C145 HydrophobicContact CZ-CB 4.49Å |
| 9 | Y | 97.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -42.9 | -179.9 | 173.1 | -107.8 | 0 | 0 | 0 | 112.5 | I5 V6 L7 L12 L13 S176 G177 F180 | I5-Y9 PolarHBondContact O-N 2.9Å; V6-Y9 PolarHBondContact O-N 2.75Å; L7-Y9 VanDerWaalsContact C-N 3.33Å; L7-Y9 PolarHBondContact O-N 3.03Å; Y9-L12 WeakPolarHBondContact O-CB 3.18Å; Y9-L12 PolarHBondContact O-N 3.18Å; Y9-L13 HydrophobicContact CE1-CD1 3.83Å; Y9-L13 HydrophobicContact CE2-CD1 4.15Å; Y9-L13 HydrophobicContact CE2-CG 4.27Å; Y9-L13 PolarHBondContact O-N 2.9Å; Y9-S176 PolarHBondContact OH-O 3.38Å; Y9-S176 PolarHBondContact OH-OG 2.88Å; Y9-G177 WeakPolarHBondContact OH-CA 3.5Å; Y9-G177 PolarHBondContact OH-N 2.92Å; Y9-F180 HydrophobicContact CD1-CD1 4.12Å; Y9-F180 HydrophobicContact CD1-CD2 4.24Å; Y9-F180 AromaticContact CD1-CE1 3.8Å; Y9-F180 HydrophobicContact CD1-CE1 3.8Å; Y9-F180 AromaticContact CD1-CE2 3.92Å; Y9-F180 HydrophobicContact CD1-CE2 3.92Å; Y9-F180 HydrophobicContact CD1-CG 4.24Å; Y9-F180 AromaticContact CD1-CZ 3.57Å; Y9-F180 HydrophobicContact CD1-CZ 3.57Å; Y9-F180 HydrophobicContact CE1-CB 4Å; Y9-F180 AromaticContact CE1-CD1 3.8Å; Y9-F180 HydrophobicContact CE1-CD1 3.8Å; Y9-F180 AromaticContact CE1-CD2 3.95Å; Y9-F180 HydrophobicContact CE1-CD2 3.95Å; Y9-F180 AromaticContact CE1-CE1 3.97Å; Y9-F180 HydrophobicContact CE1-CE1 3.97Å; Y9-F180 HydrophobicContact CE1-CE2 4.11Å; Y9-F180 AromaticContact CE1-CG 3.69Å; Y9-F180 HydrophobicContact CE1-CG 3.69Å; Y9-F180 HydrophobicContact CE1-CZ 4.02Å |
| 10 | L | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -46.5 | 177.6 | -69 | 176 | 0 | 0 | 0 | 111.7 | V6 L7 L12 L13 E14 L69 F73 Q115 V119 L122 F180 | V6-L10 HydrophobicContact CG1-CD1 4.21Å; V6-L10 WeakPolarHBondContact O-CG 3.31Å; V6-L10 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 2.97Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.47Å; L10-L13 PolarHBondContact O-N 3.24Å; L10-E14 PolarHBondContact O-N 3.21Å; L10-L69 HydrophobicContact CD1-CD1 4.14Å; L10-L69 HydrophobicContact CD2-CD1 4.09Å; L10-L69 HydrophobicContact CD2-CD2 4.44Å; L10-F73 HydrophobicContact CD2-CE2 4.08Å; L10-F73 HydrophobicContact CD2-CZ 3.87Å; L10-Q115 PolarHBondContact O-NE2 3.23Å; L10-V119 HydrophobicContact CB-CG1 3.93Å; L10-V119 HydrophobicContact CB-CG2 3.91Å; L10-V119 HydrophobicContact CD1-CG1 4.43Å; L10-V119 HydrophobicContact CD1-CG2 4.33Å; L10-L122 HydrophobicContact CD1-CD1 4.5Å; L10-F180 HydrophobicContact CD2-CD1 4.39Å; L10-F180 HydrophobicContact CD2-CE1 3.88Å; L10-F180 HydrophobicContact CG-CE1 4.3Å |
| 11 | Y | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -31.2 | 175.6 | -75.1 | -58.2 | 0 | 0 | 0 | 112.2 | L7 E14 G15 V119 D120 T123 Q139 Y143 | L7-Y11 HydrophobicContact CB-CD2 4.16Å; L7-Y11 HydrophobicContact CB-CE2 4.2Å; L7-Y11 HydrophobicContact CD2-CE2 4.38Å; L7-Y11 WeakPolarHBondContact O-CB 3.25Å; L7-Y11 WeakPolarHBondContact O-CD2 3.31Å; L7-Y11 PolarHBondContact O-N 3.39Å; Y11-E14 WeakPolarHBondContact CD1-OE2 3.09Å; Y11-E14 VanDerWaalsContact CE1-OE2 3.32Å; Y11-E14 WeakPolarHBondContact CE1-OE2 3.28Å; Y11-E14 WeakPolarHBondContact O-CB 3.32Å; Y11-E14 PolarHBondContact O-N 3.27Å; Y11-G15 PolarHBondContact O-N 3.45Å; Y11-V119 HydrophobicContact CD1-CG1 3.89Å; Y11-V119 HydrophobicContact CD2-CG1 4.11Å; Y11-V119 HydrophobicContact CE1-CB 4.17Å; Y11-V119 HydrophobicContact CE1-CG1 3.5Å; Y11-V119 VanDerWaalsContact CE1-CG1 3.5Å; Y11-V119 HydrophobicContact CE2-CG1 3.76Å; Y11-V119 HydrophobicContact CG-CG1 4.18Å; Y11-V119 VanDerWaalsContact CZ-CG1 3.44Å; Y11-D120 PolarHBondContact OH-OD1 2.93Å; Y11-T123 PolarHBondContact OH-OG1 3.08Å; Y11-Q139 HydrophobicContact CD1-CB 4.29Å; Y11-Q139 HydrophobicContact CD1-CG 3.69Å; Y11-Q139 VanDerWaalsContact CD2-CA 3.44Å; Y11-Q139 HydrophobicContact CD2-CB 3.7Å; Y11-Q139 HydrophobicContact CD2-CG 4.03Å; Y11-Q139 HydrophobicContact CE1-CB 4.18Å; Y11-Q139 VanDerWaalsContact CE1-CD 3.49Å; Y11-Q139 HydrophobicContact CE1-CG 3.47Å; Y11-Q139 VanDerWaalsContact CE1-CG 3.47Å; Y11-Q139 VanDerWaalsContact CE1-NE2 3.33Å; Y11-Q139 HydrophobicContact CE2-CB 3.54Å; Y11-Q139 HydrophobicContact CE2-CG 3.81Å; Y11-Q139 HydrophobicContact CG-CB 4.08Å; Y11-Q139 HydrophobicContact CG-CG 3.98Å; Y11-Q139 PolarHBondContact OH-NE2 2.87Å; Y11-Q139 PolarHBondContact OH-OE1 3.02Å; Y11-Y143 VanDerWaalsContact O-CA 3.23Å; Y11-Y143 WeakPolarHBondContact O-CA 3.1Å; Y11-Y143 PolarHBondContact O-N 3.1Å |
| 12 | L | 98.6 | Very high | 95.1 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 15% | 0.152 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 171.3 | -178.1 | 158.2 | 0 | 0 | 0 | 111.5 | F8 Y9 L10 E14 G15 I16 G142 C145 G146 I149 | F8-L12 HydrophobicContact CE1-CD1 3.89Å; F8-L12 HydrophobicContact CZ-CD1 4.27Å; F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.35Å; F8-L12 PolarHBondContact O-N 3.16Å; Y9-L12 WeakPolarHBondContact O-CB 3.18Å; Y9-L12 PolarHBondContact O-N 3.18Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.47Å; L12-E14 VanDerWaalsContact C-N 3.28Å; L12-E14 PolarHBondContact O-N 3.39Å; L12-G15 PolarHBondContact O-N 3.14Å; L12-I16 HydrophobicContact CD2-CD1 4.48Å; L12-G142 VanDerWaalsContact CA-O 3.24Å; L12-G142 WeakPolarHBondContact CA-O 3.25Å; L12-C145 HydrophobicContact CD1-CB 4.09Å; L12-C145 HydrophobicContact CG-CB 4.36Å; L12-G146 WeakPolarHBondContact O-CA 3.1Å; L12-I149 HydrophobicContact CD2-CD1 4.06Å; L12-I149 HydrophobicContact CG-CD1 4.47Å |
| 13 | L | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.1 | -34.5 | 176.6 | -67.4 | 179.7 | 0 | 0 | 0 | 112.2 | Y9 L10 G15 I16 P17 F73 L173 | Y9-L13 HydrophobicContact CE1-CD1 3.83Å; Y9-L13 HydrophobicContact CE2-CD1 4.15Å; Y9-L13 HydrophobicContact CE2-CG 4.27Å; Y9-L13 PolarHBondContact O-N 2.9Å; L10-L13 PolarHBondContact O-N 3.24Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.05Å; L13-I16 HydrophobicContact CD2-CD1 3.88Å; L13-I16 PolarHBondContact O-N 3.29Å; L13-P17 VanDerWaalsContact O-CD 3.24Å; L13-P17 WeakPolarHBondContact O-CD 3.34Å; L13-F73 HydrophobicContact CB-CE1 3.75Å; L13-F73 HydrophobicContact CB-CZ 4.28Å; L13-F73 HydrophobicContact CD1-CD1 4.23Å; L13-F73 HydrophobicContact CD1-CE1 3.49Å; L13-F73 VanDerWaalsContact CD1-CE1 3.49Å; L13-F73 HydrophobicContact CD1-CE2 4.41Å; L13-F73 HydrophobicContact CD1-CZ 3.6Å; L13-F73 HydrophobicContact CG-CE1 4.28Å; L13-L173 HydrophobicContact CD2-CB 4.24Å |
| 14 | E | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -65.1 | -30.2 | 175.1 | -168.7 | -165.3 | 113.4 | 0 | 0 | 113.3 | L10 Y11 L12 I16 P17 D116 Y143 | L10-E14 PolarHBondContact O-N 3.21Å; Y11-E14 WeakPolarHBondContact CD1-OE2 3.09Å; Y11-E14 VanDerWaalsContact CE1-OE2 3.32Å; Y11-E14 WeakPolarHBondContact CE1-OE2 3.28Å; Y11-E14 WeakPolarHBondContact O-CB 3.32Å; Y11-E14 PolarHBondContact O-N 3.27Å; L12-E14 VanDerWaalsContact C-N 3.28Å; L12-E14 PolarHBondContact O-N 3.39Å; E14-I16 VanDerWaalsContact C-N 3.33Å; E14-P17 WeakPolarHBondContact O-CD 3.5Å; E14-D116 HydrophobicContact CG-CB 4.14Å; E14-Y143 HydrophobicContact CB-CD2 4.46Å; E14-Y143 HydrophobicContact CG-CD2 4.25Å; E14-Y143 HydrophobicContact CG-CE2 4.28Å; E14-Y143 WeakPolarHBondContact OE1-CD2 3.36Å |
| 15 | G | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.8 | -23.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y11 L12 L13 Y18 G19 Y143 G146 A147 | Y11-G15 PolarHBondContact O-N 3.45Å; L12-G15 PolarHBondContact O-N 3.14Å; L13-G15 VanDerWaalsContact C-N 3.29Å; L13-G15 PolarHBondContact O-N 3.05Å; G15-Y18 PolarHBondContact O-N 3.3Å; G15-G19 PolarHBondContact O-N 3.49Å; G15-Y143 VanDerWaalsContact CA-O 3.25Å; G15-Y143 WeakPolarHBondContact CA-O 3.28Å; G15-G146 VanDerWaalsContact C-C 3.46Å; G15-G146 CarbonylContact O-C 3.56Å; G15-A147 VanDerWaalsContact O-CA 3.3Å; G15-A147 WeakPolarHBondContact O-CA 3.37Å; G15-A147 PolarHBondContact O-N 2.87Å |
| 16 | I | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.1 | -50.9 | -176.2 | -63.5 | 170.2 | 0 | 0 | 0 | 111.4 | L12 L13 E14 Y18 G19 V20 G146 I149 L170 L173 Y174 | L12-I16 HydrophobicContact CD2-CD1 4.48Å; L13-I16 HydrophobicContact CD2-CD1 3.88Å; L13-I16 PolarHBondContact O-N 3.29Å; E14-I16 VanDerWaalsContact C-N 3.33Å; I16-Y18 PolarHBondContact O-N 3.2Å; I16-G19 WeakPolarHBondContact O-CA 3.2Å; I16-G19 PolarHBondContact O-N 3.32Å; I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.49Å; I16-V20 PolarHBondContact O-N 3.11Å; I16-G146 WeakPolarHBondContact CA-O 3.45Å; I16-I149 HydrophobicContact CG1-CG2 4.48Å; I16-L170 HydrophobicContact CG2-CD1 4.38Å; I16-L170 HydrophobicContact CG2-CD2 3.64Å; I16-L173 HydrophobicContact CD1-CB 4.22Å; I16-L173 HydrophobicContact CD1-CD1 3.79Å; I16-Y174 WeakPolarHBondContact CB-OH 2.79Å; I16-Y174 WeakPolarHBondContact CG2-OH 3.27Å |
| 17 | P | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -54.8 | -39 | 177.5 | -27.7 | 34.7 | 0 | 0 | 0 | 113.8 | L13 E14 V20 Q21 L76 Y108 A112 Y174 | L13-P17 VanDerWaalsContact O-CD 3.24Å; L13-P17 WeakPolarHBondContact O-CD 3.34Å; E14-P17 WeakPolarHBondContact O-CD 3.5Å; P17-V20 PolarHBondContact O-N 3.37Å; P17-Q21 PolarHBondContact O-N 3.44Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; P17-L76 HydrophobicContact CG-CD1 4.44Å; P17-L76 HydrophobicContact CG-CD2 3.91Å; P17-Y108 VanDerWaalsContact CA-CE1 3.5Å; P17-Y108 HydrophobicContact CB-CD1 4.19Å; P17-Y108 HydrophobicContact CB-CE1 3.55Å; P17-Y108 HydrophobicContact CG-CE1 4.17Å; P17-A112 HydrophobicContact CB-CB 3.68Å; P17-A112 HydrophobicContact CG-CB 3.71Å; P17-Y174 WeakPolarHBondContact CD-OH 3.39Å; P17-Y174 VanDerWaalsContact CG-OH 3.28Å; P17-Y174 WeakPolarHBondContact CG-OH 3.28Å |
| 18 | Y | 95.3 | Very high | 96 | Very high | 50 Ų | 50 | 13.7 Ų | 13.7 | 20% | 0.196 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 175.4 | 171.5 | -93.8 | 0 | 0 | 0 | 111.8 | G15 I16 V20 Q21 S22 Y143 A147 | G15-Y18 PolarHBondContact O-N 3.3Å; I16-Y18 PolarHBondContact O-N 3.2Å; Y18-V20 VanDerWaalsContact C-N 3.31Å; Y18-V20 PolarHBondContact O-N 3.44Å; Y18-Q21 PolarHBondContact O-N 3.06Å; Y18-S22 VanDerWaalsContact CE1-OG 3.27Å; Y18-S22 WeakPolarHBondContact CE1-OG 3.4Å; Y18-S22 WeakPolarHBondContact O-CB 3.46Å; Y18-S22 PolarHBondContact O-N 3.41Å; Y18-S22 PolarHBondContact O-OG 2.76Å; Y18-Y143 WeakPolarHBondContact CB-OH 3.39Å; Y18-Y143 AromaticContact CD1-CE1 3.64Å; Y18-Y143 HydrophobicContact CD1-CE1 3.64Å; Y18-Y143 HydrophobicContact CD2-CE1 4.39Å; Y18-Y143 VanDerWaalsContact CD2-OH 3.24Å; Y18-Y143 WeakPolarHBondContact CD2-OH 3.35Å; Y18-Y143 HydrophobicContact CE1-CE1 4.24Å; Y18-Y143 AromaticContact CG-CE1 3.74Å; Y18-Y143 HydrophobicContact CG-CE1 3.74Å; Y18-Y143 AromaticContact CG-CZ 3.68Å; Y18-A147 HydrophobicContact CD1-CB 3.75Å; Y18-A147 HydrophobicContact CE1-CB 4.22Å |
| 19 | G | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -55.8 | -47.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G15 I16 Q21 R23 F24 G150 G151 | G15-G19 PolarHBondContact O-N 3.49Å; I16-G19 WeakPolarHBondContact O-CA 3.2Å; I16-G19 PolarHBondContact O-N 3.32Å; G19-Q21 VanDerWaalsContact C-N 3.33Å; G19-Q21 PolarHBondContact O-N 3.41Å; G19-R23 PolarHBondContact O-N 3.44Å; G19-R23 VanDerWaalsContact O-N 3.09Å; G19-F24 PolarHBondContact O-N 3.17Å; G19-G150 VanDerWaalsContact C-C 3.48Å; G19-G150 CarbonylContact C-O 3.59Å; G19-G151 VanDerWaalsContact C-CA 3.46Å; G19-G151 WeakPolarHBondContact O-CA 2.99Å |
| 20 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -56.8 | -47.7 | -179.8 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | I16 P17 Y18 F24 L25 Y108 G150 L154 L170 | I16-V20 HydrophobicContact CG2-CG2 4.3Å; I16-V20 WeakPolarHBondContact O-CG2 3.49Å; I16-V20 PolarHBondContact O-N 3.11Å; P17-V20 PolarHBondContact O-N 3.37Å; Y18-V20 VanDerWaalsContact C-N 3.31Å; Y18-V20 PolarHBondContact O-N 3.44Å; V20-F24 HydrophobicContact CG1-CD1 4.44Å; V20-F24 WeakPolarHBondContact O-CB 3.37Å; V20-F24 PolarHBondContact O-N 2.91Å; V20-L25 HydrophobicContact CG1-CD1 3.9Å; V20-L25 HydrophobicContact CG1-CG 3.96Å; V20-L25 WeakPolarHBondContact O-CG 3.46Å; V20-L25 PolarHBondContact O-N 3.3Å; V20-Y108 HydrophobicContact CB-CE1 4.31Å; V20-Y108 HydrophobicContact CG1-CE1 4.3Å; V20-G150 WeakPolarHBondContact CA-O 3.35Å; V20-G150 WeakPolarHBondContact CG2-O 3.39Å; V20-G150 PolarHBondContact N-O 2.95Å; V20-L154 HydrophobicContact CG2-CD1 4.37Å; V20-L170 HydrophobicContact CG2-CD1 3.56Å |
| 21 | Q | 93.6 | Very high | 95.3 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 2% | 0.023 | 7% | 0.071 | C | C | . | . | I | π-helix | trans | -91.3 | -24.9 | -171.5 | -66.8 | -170.5 | 73.8 | 0 | 0 | 115.3 | P17 Y18 G19 L25 P26 H46 N109 | P17-Q21 PolarHBondContact O-N 3.44Å; P17-Q21 VanDerWaalsContact O-N 3.12Å; Y18-Q21 PolarHBondContact O-N 3.06Å; G19-Q21 VanDerWaalsContact C-N 3.33Å; G19-Q21 PolarHBondContact O-N 3.41Å; Q21-L25 HydrophobicContact CG-CD1 4.32Å; Q21-P26 WeakPolarHBondContact O-CD 3.36Å; Q21-P26 WeakPolarHBondContact O-CG 3.11Å; Q21-H46 PolarHBondContact OE1-CE1 3.48Å; Q21-N109 PolarHBondContact NE2-ND2 3.29Å; Q21-N109 PolarHBondContact NE2-OD1 2.76Å; Q21-N109 PolarHBondContact OE1-ND2 3.43Å |
| 22 | S | 91.2 | Very high | 94.8 | Very high | 20 Ų | 20 | 20 Ų | 20 | 14% | 0.14 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -91.6 | -21.9 | -179.5 | 69 | 0 | 0 | 0 | 0 | 113.5 | Y18 | Y18-S22 VanDerWaalsContact CE1-OG 3.27Å; Y18-S22 WeakPolarHBondContact CE1-OG 3.4Å; Y18-S22 WeakPolarHBondContact O-CB 3.46Å; Y18-S22 PolarHBondContact O-N 3.41Å; Y18-S22 PolarHBondContact O-OG 2.76Å |
| 23 | R | 93.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 21.6 Ų | 21.6 | 7% | 0.068 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -127.4 | -58.6 | -176.4 | -71.7 | -61.2 | -164.3 | -138.9 | 12.9 | 112.8 | G19 L27 M256 P260 T277 | G19-R23 PolarHBondContact O-N 3.44Å; G19-R23 VanDerWaalsContact O-N 3.09Å; R23-L27 WeakPolarHBondContact O-CB 3.37Å; R23-L27 WeakPolarHBondContact O-CD1 3.46Å; R23-L27 WeakPolarHBondContact O-CG 3.41Å; R23-L27 PolarHBondContact O-N 3.44Å; R23-M256 PolarHBondContact NH1-O 3.47Å; R23-M256 PolarHBondContact NH2-O 3.2Å; R23-P260 VanDerWaalsContact NH1-CG 3.33Å; R23-T277 PolarHBondContact NE-O 3.17Å; R23-T277 PolarHBondContact NH2-O 3.08Å |
| 24 | F | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -64.7 | -64.3 | -171.1 | 176.2 | -120.8 | 0 | 0 | 0 | 112.5 | G19 V20 L27 I28 G150 L154 A155 I163 L166 F167 | G19-F24 PolarHBondContact O-N 3.17Å; V20-F24 HydrophobicContact CG1-CD1 4.44Å; V20-F24 WeakPolarHBondContact O-CB 3.37Å; V20-F24 PolarHBondContact O-N 2.91Å; F24-L27 PolarHBondContact O-N 3.33Å; F24-I28 HydrophobicContact CD2-CD1 4.42Å; F24-I28 HydrophobicContact CD2-CG1 4.01Å; F24-I28 HydrophobicContact CE2-CD1 3.87Å; F24-I28 HydrophobicContact CE2-CG1 3.71Å; F24-I28 HydrophobicContact CZ-CD1 4.42Å; F24-I28 HydrophobicContact CZ-CG1 4.03Å; F24-I28 WeakPolarHBondContact O-CG1 3.41Å; F24-I28 PolarHBondContact O-N 2.86Å; F24-G150 WeakPolarHBondContact CB-O 3.03Å; F24-L154 HydrophobicContact CB-CB 4.36Å; F24-L154 HydrophobicContact CD1-CB 4.4Å; F24-L154 HydrophobicContact CD1-CD1 4.09Å; F24-L154 HydrophobicContact CD2-CB 3.59Å; F24-L154 HydrophobicContact CE1-CD1 4.28Å; F24-L154 HydrophobicContact CE2-CB 3.88Å; F24-L154 HydrophobicContact CG-CB 3.87Å; F24-L154 HydrophobicContact CG-CD1 4.31Å; F24-L154 HydrophobicContact CZ-CB 4.41Å; F24-A155 HydrophobicContact CD2-CB 4.07Å; F24-I163 HydrophobicContact CZ-CG1 4.38Å; F24-I163 HydrophobicContact CZ-CG2 4.25Å; F24-L166 HydrophobicContact CE2-CD1 4.09Å; F24-L166 HydrophobicContact CZ-CD1 3.94Å; F24-F167 HydrophobicContact CE1-CE1 4.25Å; F24-F167 HydrophobicContact CE1-CZ 4.06Å |
| 25 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | -176.9 | -66.5 | 178.2 | 0 | 0 | 0 | 113.3 | V20 Q21 L27 I28 F29 L90 L105 F167 | V20-L25 HydrophobicContact CG1-CD1 3.9Å; V20-L25 HydrophobicContact CG1-CG 3.96Å; V20-L25 WeakPolarHBondContact O-CG 3.46Å; V20-L25 PolarHBondContact O-N 3.3Å; Q21-L25 HydrophobicContact CG-CD1 4.32Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.38Å; L25-I28 PolarHBondContact O-N 3.13Å; L25-F29 HydrophobicContact CB-CD2 4.28Å; L25-F29 HydrophobicContact CB-CE2 3.86Å; L25-F29 HydrophobicContact CB-CZ 4.26Å; L25-F29 HydrophobicContact CD2-CZ 4.18Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 VanDerWaalsContact O-CD2 3.3Å; L25-F29 WeakPolarHBondContact O-CD2 3.19Å; L25-F29 WeakPolarHBondContact O-CG 3.47Å; L25-F29 PolarHBondContact O-N 3.13Å; L25-L90 HydrophobicContact CD2-CD2 4.18Å; L25-L105 HydrophobicContact CD1-CD1 3.88Å; L25-L105 HydrophobicContact CD1-CD2 3.64Å; L25-L105 HydrophobicContact CD1-CG 4.45Å; L25-F167 HydrophobicContact CD2-CZ 4.37Å |
| 26 | P | 93.4 | Very high | 93.5 | Very high | 21 Ų | 21 | 26.3 Ų | 26.3 | 14% | 0.136 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -36.6 | 177.9 | -25.8 | 35.5 | 0 | 0 | 0 | 113.5 | Q21 R30 | Q21-P26 WeakPolarHBondContact O-CD 3.36Å; Q21-P26 WeakPolarHBondContact O-CG 3.11Å; P26-R30 WeakPolarHBondContact O-CB 3.29Å; P26-R30 PolarHBondContact O-N 3.07Å |
| 27 | L | 94.7 | Very high | 93.2 | Very high | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.4 | -42.4 | 177 | -75.9 | 175.1 | 0 | 0 | 0 | 111.8 | R23 F24 L25 R30 N31 A155 P260 L261 L264 L270 V273 | R23-L27 WeakPolarHBondContact O-CB 3.37Å; R23-L27 WeakPolarHBondContact O-CD1 3.46Å; R23-L27 WeakPolarHBondContact O-CG 3.41Å; R23-L27 PolarHBondContact O-N 3.44Å; F24-L27 PolarHBondContact O-N 3.33Å; L25-L27 VanDerWaalsContact C-N 3.27Å; L25-L27 PolarHBondContact O-N 3.38Å; L27-R30 PolarHBondContact O-N 3.43Å; L27-N31 WeakPolarHBondContact O-CB 3.16Å; L27-N31 PolarHBondContact O-N 3.37Å; L27-A155 HydrophobicContact CD1-CB 4Å; L27-P260 HydrophobicContact CD2-CB 3.94Å; L27-L261 HydrophobicContact CD2-CD2 4.31Å; L27-L264 HydrophobicContact CD2-CD2 4.21Å; L27-L270 HydrophobicContact CB-CD1 3.56Å; L27-L270 HydrophobicContact CD1-CD1 4.46Å; L27-L270 HydrophobicContact CG-CD1 4.41Å; L27-V273 HydrophobicContact CD2-CG1 3.96Å |
| 28 | I | 92.7 | Very high | 92.9 | Very high | 8 Ų | 8 | 30 Ų | 30 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.2 | -50.3 | 174.8 | -63.2 | -58.1 | 0 | 0 | 0 | 110.5 | F24 L25 N31 K32 I163 L270 | F24-I28 HydrophobicContact CD2-CD1 4.42Å; F24-I28 HydrophobicContact CD2-CG1 4.01Å; F24-I28 HydrophobicContact CE2-CD1 3.87Å; F24-I28 HydrophobicContact CE2-CG1 3.71Å; F24-I28 HydrophobicContact CZ-CD1 4.42Å; F24-I28 HydrophobicContact CZ-CG1 4.03Å; F24-I28 WeakPolarHBondContact O-CG1 3.41Å; F24-I28 PolarHBondContact O-N 2.86Å; L25-I28 PolarHBondContact O-N 3.13Å; I28-N31 PolarHBondContact O-N 3.47Å; I28-K32 VanDerWaalsContact O-CG 3.32Å; I28-K32 WeakPolarHBondContact O-CG 3.46Å; I28-K32 PolarHBondContact O-N 2.98Å; I28-K32 VanDerWaalsContact O-N 3.11Å; I28-I163 HydrophobicContact CD1-CD1 4.1Å; I28-I163 HydrophobicContact CG2-CD1 4.19Å; I28-L270 HydrophobicContact CD1-CD2 3.8Å |
| 29 | F | 91.8 | Very high | 92.7 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 9% | 0.088 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 179.3 | -67.5 | -21.1 | 0 | 0 | 0 | 112.5 | L25 K32 G33 L34 L39 H42 L90 | L25-F29 HydrophobicContact CB-CD2 4.28Å; L25-F29 HydrophobicContact CB-CE2 3.86Å; L25-F29 HydrophobicContact CB-CZ 4.26Å; L25-F29 HydrophobicContact CD2-CZ 4.18Å; L25-F29 WeakPolarHBondContact O-CB 3.44Å; L25-F29 VanDerWaalsContact O-CD2 3.3Å; L25-F29 WeakPolarHBondContact O-CD2 3.19Å; L25-F29 WeakPolarHBondContact O-CG 3.47Å; L25-F29 PolarHBondContact O-N 3.13Å; F29-K32 CarbonylContact O-C 3.6Å; F29-K32 PolarHBondContact O-N 3.06Å; F29-G33 PolarHBondContact O-N 3.43Å; F29-L34 HydrophobicContact CB-CB 4.35Å; F29-L34 HydrophobicContact CB-CD2 3.96Å; F29-L34 HydrophobicContact CB-CG 4.5Å; F29-L34 HydrophobicContact CG-CD2 4.22Å; F29-L34 WeakPolarHBondContact O-CB 3.48Å; F29-L34 PolarHBondContact O-N 2.69Å; F29-L34 VanDerWaalsContact O-N 3.12Å; F29-L39 HydrophobicContact CB-CD2 3.49Å; F29-L39 VanDerWaalsContact CB-CD2 3.49Å; F29-L39 HydrophobicContact CD2-CD2 4.18Å; F29-L39 HydrophobicContact CG-CD2 4.36Å; F29-H42 AromaticContact CE2-CE1 3.55Å; F29-H42 AromaticContact CE2-ND1 3.94Å; F29-H42 AromaticContact CE2-NE2 3.79Å; F29-L90 HydrophobicContact CE1-CD1 3.6Å; F29-L90 HydrophobicContact CE1-CG 4.11Å; F29-L90 HydrophobicContact CZ-CD1 3.72Å |
| 30 | R | 92.8 | Very high | 92.4 | Very high | 42 Ų | 42 | 28.2 Ų | 28.2 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 176.9 | -173 | 55.9 | 178.2 | 177.8 | -3 | 111.8 | P26 L27 K32 G33 L34 L39 L261 L264 D265 | P26-R30 WeakPolarHBondContact O-CB 3.29Å; P26-R30 PolarHBondContact O-N 3.07Å; L27-R30 PolarHBondContact O-N 3.43Å; R30-K32 PolarHBondContact O-N 3.47Å; R30-G33 PolarHBondContact O-N 3.27Å; R30-L34 WeakPolarHBondContact CD-O 3.08Å; R30-L34 PolarHBondContact NH1-O 3.23Å; R30-L39 HydrophobicContact CB-CD1 3.77Å; R30-L39 HydrophobicContact CG-CD1 4.25Å; R30-L261 HydrophobicContact CB-CD2 3.94Å; R30-L261 HydrophobicContact CG-CD2 4.08Å; R30-L264 HydrophobicContact CB-CD2 3.82Å; R30-L264 HydrophobicContact CG-CD2 3.75Å; R30-D265 IonicContact CZ-OD1 2.67Å; R30-D265 VanDerWaalsContact CZ-OD1 3.28Å; R30-D265 IonicContact CZ-OD2 2.72Å; R30-D265 IonicContact NE-OD1 2.67Å; R30-D265 PolarHBondContact NE-OD1 3.49Å; R30-D265 IonicContact NE-OD2 3.06Å; R30-D265 IonicContact NH2-OD1 2.63Å; R30-D265 PolarHBondContact NH2-OD1 3.23Å; R30-D265 IonicContact NH2-OD2 3.28Å; R30-D265 PolarHBondContact NH2-OD2 3.01Å |
| 31 | N | 90.6 | Very high | 92.2 | Very high | 85 Ų | 85 | 33.1 Ų | 33.1 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.6 | -24.2 | 176.9 | -171.7 | 80.6 | 0 | 0 | 0 | 112.2 | L27 I28 G33 L264 | L27-N31 WeakPolarHBondContact O-CB 3.16Å; L27-N31 PolarHBondContact O-N 3.37Å; I28-N31 PolarHBondContact O-N 3.47Å; N31-G33 VanDerWaalsContact C-N 3.32Å; N31-L264 HydrophobicContact CB-CD2 4.12Å |
| 32 | K | 88.1 | Confident | 92 | Very high | 115 Ų | 115 | 34.3 Ų | 34.3 | 50% | 0.5 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 2.5 | 172.7 | -67.5 | -70.6 | -176 | 166.4 | 0 | 114.1 | I28 F29 R30 V91 | I28-K32 VanDerWaalsContact O-CG 3.32Å; I28-K32 WeakPolarHBondContact O-CG 3.46Å; I28-K32 PolarHBondContact O-N 2.98Å; I28-K32 VanDerWaalsContact O-N 3.11Å; F29-K32 CarbonylContact O-C 3.6Å; F29-K32 PolarHBondContact O-N 3.06Å; R30-K32 PolarHBondContact O-N 3.47Å; K32-V91 WeakPolarHBondContact CE-O 3.39Å; K32-V91 PolarHBondContact NZ-O 2.89Å |
| 33 | G | 88.8 | Confident | 92 | Very high | 62 Ų | 62 | 35.1 Ų | 35.1 | 64% | 0.639 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93 | 9.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | F29 R30 N31 S35 | F29-G33 PolarHBondContact O-N 3.43Å; R30-G33 PolarHBondContact O-N 3.27Å; N31-G33 VanDerWaalsContact C-N 3.32Å; G33-S35 PolarHBondContact O-N 2.91Å |
| 34 | L | 90.3 | Very high | 91.9 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | trans | -62.6 | 138.3 | 172.8 | -86.3 | 69.9 | 0 | 0 | 0 | 110.5 | F29 R30 L39 | F29-L34 HydrophobicContact CB-CB 4.35Å; F29-L34 HydrophobicContact CB-CD2 3.96Å; F29-L34 HydrophobicContact CB-CG 4.5Å; F29-L34 HydrophobicContact CG-CD2 4.22Å; F29-L34 WeakPolarHBondContact O-CB 3.48Å; F29-L34 PolarHBondContact O-N 2.69Å; F29-L34 VanDerWaalsContact O-N 3.12Å; R30-L34 WeakPolarHBondContact CD-O 3.08Å; R30-L34 PolarHBondContact NH1-O 3.23Å; L34-L39 HydrophobicContact CB-CD2 4.31Å | ||
| 35 | S | 92.7 | Very high | 91.7 | Very high | 49 Ų | 49 | 39.7 Ų | 39.7 | 34% | 0.343 | 22% | 0.223 | S | C | . | . | trans | -65.5 | 157.4 | 177.9 | 66.3 | 0 | 0 | 0 | 0 | 112.2 | G33 T37 S38 L39 | G33-S35 PolarHBondContact O-N 2.91Å; S35-T37 PolarHBondContact O-N 3.24Å; S35-S38 PolarHBondContact O-N 3.31Å; S35-S38 WeakPolarHBondContact OG-CB 3.37Å; S35-S38 PolarHBondContact OG-N 3.18Å; S35-S38 VanDerWaalsContact OG-N 3.12Å; S35-L39 WeakPolarHBondContact O-CG 3.31Å; S35-L39 PolarHBondContact O-N 3.16Å; S35-L39 VanDerWaalsContact O-N 3.1Å | ||
| 36 | L | 92.9 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.4 | -35.7 | 175.4 | -60.9 | 177.4 | 0 | 0 | 0 | 110.6 | L39 G40 L261 A398 T401 D402 Y406 | L36-L39 HydrophobicContact CD2-CD1 4.43Å; L36-L39 PolarHBondContact O-N 3.28Å; L36-G40 PolarHBondContact O-N 3.34Å; L36-L261 HydrophobicContact CD2-CB 3.99Å; L36-L261 HydrophobicContact CD2-CD1 3.64Å; L36-L261 HydrophobicContact CD2-CG 4.41Å; L36-A398 WeakPolarHBondContact CB-O 3.28Å; L36-A398 VanDerWaalsContact O-CB 3.31Å; L36-A398 WeakPolarHBondContact O-CB 3.48Å; L36-T401 HydrophobicContact CD1-CG2 3.72Å; L36-D402 HydrophobicContact CB-CB 4.04Å; L36-Y406 HydrophobicContact CD1-CE1 4.38Å |
| 37 | T | 93.5 | Very high | 91.8 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -46.9 | 173.5 | -59 | 0 | 0 | 0 | 0 | 112.2 | S35 L39 G40 L41 Y399 D402 | S35-T37 PolarHBondContact O-N 3.24Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-L39 PolarHBondContact O-N 2.94Å; T37-G40 WeakPolarHBondContact O-CA 3.32Å; T37-G40 PolarHBondContact O-N 3.19Å; T37-G40 VanDerWaalsContact O-N 3.09Å; T37-L41 PolarHBondContact O-N 3.02Å; T37-Y399 HydrophobicContact CG2-CD2 3.77Å; T37-Y399 WeakPolarHBondContact OG1-CD2 3.21Å; T37-D402 WeakPolarHBondContact CB-OD2 3.41Å; T37-D402 PolarHBondContact N-OD2 3.24Å; T37-D402 PolarHBondContact OG1-OD2 3.15Å |
| 38 | S | 91.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 29% | 0.294 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | S35 G40 L41 H42 | S35-S38 PolarHBondContact O-N 3.31Å; S35-S38 WeakPolarHBondContact OG-CB 3.37Å; S35-S38 PolarHBondContact OG-N 3.18Å; S35-S38 VanDerWaalsContact OG-N 3.12Å; S38-G40 VanDerWaalsContact C-N 3.28Å; S38-G40 PolarHBondContact O-N 3.23Å; S38-L41 PolarHBondContact O-N 3.17Å; S38-H42 PolarHBondContact O-N 3.32Å |
| 39 | L | 91.3 | Very high | 92 | Very high | 11 Ų | 11 | 43 Ų | 43 | 6% | 0.058 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.4 | -32.8 | 173.6 | -61.4 | 174.7 | 0 | 0 | 0 | 112.6 | F29 R30 L34 S35 L36 T37 H42 L261 | F29-L39 HydrophobicContact CB-CD2 3.49Å; F29-L39 VanDerWaalsContact CB-CD2 3.49Å; F29-L39 HydrophobicContact CD2-CD2 4.18Å; F29-L39 HydrophobicContact CG-CD2 4.36Å; R30-L39 HydrophobicContact CB-CD1 3.77Å; R30-L39 HydrophobicContact CG-CD1 4.25Å; L34-L39 HydrophobicContact CB-CD2 4.31Å; S35-L39 WeakPolarHBondContact O-CG 3.31Å; S35-L39 PolarHBondContact O-N 3.16Å; S35-L39 VanDerWaalsContact O-N 3.1Å; L36-L39 HydrophobicContact CD2-CD1 4.43Å; L36-L39 PolarHBondContact O-N 3.28Å; T37-L39 VanDerWaalsContact C-N 3.35Å; T37-L39 PolarHBondContact O-N 2.94Å; L39-H42 WeakPolarHBondContact O-CB 3.33Å; L39-L261 HydrophobicContact CD1-CD1 4.08Å; L39-L261 HydrophobicContact CD1-CD2 4.23Å |
| 40 | G | 91 | Very high | 92 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -50.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 T37 S38 H42 K43 T395 | L36-G40 PolarHBondContact O-N 3.34Å; T37-G40 WeakPolarHBondContact O-CA 3.32Å; T37-G40 PolarHBondContact O-N 3.19Å; T37-G40 VanDerWaalsContact O-N 3.09Å; S38-G40 VanDerWaalsContact C-N 3.28Å; S38-G40 PolarHBondContact O-N 3.23Å; G40-H42 VanDerWaalsContact C-N 3.27Å; G40-H42 PolarHBondContact O-N 3.48Å; G40-K43 VanDerWaalsContact O-CB 3.28Å; G40-K43 WeakPolarHBondContact O-CB 3.09Å; G40-K43 PolarHBondContact O-N 2.9Å; G40-T395 WeakPolarHBondContact O-CG2 3.32Å; G40-T395 PolarHBondContact O-OG1 3.18Å |
| 41 | L | 90.8 | Very high | 92.1 | Very high | 103 Ų | 103 | 45.7 Ų | 45.7 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -32.6 | 178.2 | -67.3 | 175.1 | 0 | 0 | 0 | 112.5 | T37 S38 K43 L44 | T37-L41 PolarHBondContact O-N 3.02Å; S38-L41 PolarHBondContact O-N 3.17Å; L41-K43 PolarHBondContact O-N 2.98Å; L41-K43 VanDerWaalsContact O-N 3.14Å; L41-L44 HydrophobicContact CD2-CD1 4.01Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 VanDerWaalsContact O-CG 3.25Å; L41-L44 WeakPolarHBondContact O-CG 3.4Å; L41-L44 PolarHBondContact O-N 3.42Å |
| 42 | H | 90.3 | Very high | 92.3 | Very high | 30 Ų | 30 | 41.9 Ų | 41.9 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -28.6 | 173.2 | -167.8 | 77.9 | 0 | 0 | 0 | 112.8 | F29 S38 L39 G40 L44 L45 L105 | F29-H42 AromaticContact CE2-CE1 3.55Å; F29-H42 AromaticContact CE2-ND1 3.94Å; F29-H42 AromaticContact CE2-NE2 3.79Å; S38-H42 PolarHBondContact O-N 3.32Å; L39-H42 WeakPolarHBondContact O-CB 3.33Å; G40-H42 VanDerWaalsContact C-N 3.27Å; G40-H42 PolarHBondContact O-N 3.48Å; H42-L44 PolarHBondContact O-N 3.46Å; H42-L45 VanDerWaalsContact CE1-CD1 3.45Å; H42-L45 WeakPolarHBondContact CE1-CD1 3.31Å; H42-L45 WeakPolarHBondContact O-CB 3.3Å; H42-L45 WeakPolarHBondContact O-CG 3.41Å; H42-L45 PolarHBondContact O-N 3.3Å; H42-L45 VanDerWaalsContact O-N 3.11Å; H42-L105 WeakPolarHBondContact CE1-CD1 3.2Å |
| 43 | K | 90.9 | Very high | 92.4 | Very high | 37 Ų | 37 | 36.7 Ų | 36.7 | 16% | 0.161 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -66.2 | -17.6 | 176.1 | -63.5 | -179.9 | -178.6 | 175.9 | 0 | 113.2 | G40 L41 L45 H46 N257 G394 | G40-K43 VanDerWaalsContact O-CB 3.28Å; G40-K43 WeakPolarHBondContact O-CB 3.09Å; G40-K43 PolarHBondContact O-N 2.9Å; L41-K43 PolarHBondContact O-N 2.98Å; L41-K43 VanDerWaalsContact O-N 3.14Å; K43-L45 PolarHBondContact O-N 3.34Å; K43-H46 VanDerWaalsContact O-CB 3.29Å; K43-H46 WeakPolarHBondContact O-CB 3.39Å; K43-H46 PolarHBondContact O-N 3Å; K43-H46 PolarHBondContact O-ND1 2.89Å; K43-H46 VanDerWaalsContact O-ND1 3.1Å; K43-N257 PolarHBondContact NZ-ND2 3.07Å; K43-N257 VanDerWaalsContact NZ-ND2 3.11Å; K43-G394 VanDerWaalsContact NZ-C 3.33Å; K43-G394 PolarHBondContact NZ-O 3.29Å |
| 44 | L | 90.9 | Very high | 92.5 | Very high | 89 Ų | 89 | 39.9 Ų | 39.9 | 47% | 0.466 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -60.9 | -22.4 | 172.5 | -62.8 | 174.8 | 0 | 0 | 0 | 112.2 | L41 H42 H46 I47 | L41-L44 HydrophobicContact CD2-CD1 4.01Å; L41-L44 WeakPolarHBondContact O-CB 3.47Å; L41-L44 VanDerWaalsContact O-CG 3.25Å; L41-L44 WeakPolarHBondContact O-CG 3.4Å; L41-L44 PolarHBondContact O-N 3.42Å; H42-L44 PolarHBondContact O-N 3.46Å; L44-H46 PolarHBondContact O-N 3.1Å; L44-H46 VanDerWaalsContact O-N 3.1Å; L44-I47 HydrophobicContact CB-CD1 4.47Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 VanDerWaalsContact O-CD1 3.28Å; L44-I47 WeakPolarHBondContact O-CD1 3.43Å; L44-I47 WeakPolarHBondContact O-CG1 3.4Å; L44-I47 PolarHBondContact O-N 3.15Å; L44-I47 VanDerWaalsContact O-N 3.08Å |
| 45 | L | 93.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 13% | 0.131 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -65.4 | -12.4 | 173.7 | -56.2 | 179.6 | 0 | 0 | 0 | 113.1 | H42 K43 I47 P48 L105 F106 N109 | H42-L45 VanDerWaalsContact CE1-CD1 3.45Å; H42-L45 WeakPolarHBondContact CE1-CD1 3.31Å; H42-L45 WeakPolarHBondContact O-CB 3.3Å; H42-L45 WeakPolarHBondContact O-CG 3.41Å; H42-L45 PolarHBondContact O-N 3.3Å; H42-L45 VanDerWaalsContact O-N 3.11Å; K43-L45 PolarHBondContact O-N 3.34Å; L45-I47 VanDerWaalsContact C-N 3.29Å; L45-I47 PolarHBondContact O-N 3.11Å; L45-P48 VanDerWaalsContact O-CD 3.32Å; L45-P48 WeakPolarHBondContact O-CD 3.33Å; L45-L105 HydrophobicContact CD1-CB 3.84Å; L45-L105 HydrophobicContact CD1-CD1 4.22Å; L45-F106 HydrophobicContact CD2-CB 4.35Å; L45-N109 WeakPolarHBondContact O-CB 3.48Å; L45-N109 PolarHBondContact O-ND2 3.36Å |
| 46 | H | 94.3 | Very high | 92.3 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.079 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -83.6 | 2.3 | 174.1 | -60.1 | 69.6 | 0 | 0 | 0 | 113.6 | Q21 K43 L44 P48 W49 N109 L391 | Q21-H46 PolarHBondContact OE1-CE1 3.48Å; K43-H46 VanDerWaalsContact O-CB 3.29Å; K43-H46 WeakPolarHBondContact O-CB 3.39Å; K43-H46 PolarHBondContact O-N 3Å; K43-H46 PolarHBondContact O-ND1 2.89Å; K43-H46 VanDerWaalsContact O-ND1 3.1Å; L44-H46 PolarHBondContact O-N 3.1Å; L44-H46 VanDerWaalsContact O-N 3.1Å; H46-P48 VanDerWaalsContact C-N 3.25Å; H46-P48 VanDerWaalsContact O-N 3.14Å; H46-W49 WeakPolarHBondContact O-CB 3.4Å; H46-W49 PolarHBondContact O-N 3.23Å; H46-N109 PolarHBondContact CD2-OD1 3.45Å; H46-L391 HydrophobicContact CB-CD1 3.56Å; H46-L391 HydrophobicContact CB-CD2 3.9Å; H46-L391 HydrophobicContact CB-CG 4.42Å |
| 47 | I | 94.1 | Very high | 91.9 | Very high | 68 Ų | 68 | 37.1 Ų | 37.1 | 35% | 0.349 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -46.1 | -40.3 | 176.3 | -80.3 | 164.8 | 0 | 0 | 0 | 113.7 | L44 L45 W49 L50 L51 F106 | L44-I47 HydrophobicContact CB-CD1 4.47Å; L44-I47 WeakPolarHBondContact O-CB 3.41Å; L44-I47 VanDerWaalsContact O-CD1 3.28Å; L44-I47 WeakPolarHBondContact O-CD1 3.43Å; L44-I47 WeakPolarHBondContact O-CG1 3.4Å; L44-I47 PolarHBondContact O-N 3.15Å; L44-I47 VanDerWaalsContact O-N 3.08Å; L45-I47 VanDerWaalsContact C-N 3.29Å; L45-I47 PolarHBondContact O-N 3.11Å; I47-W49 PolarHBondContact O-N 2.98Å; I47-W49 VanDerWaalsContact O-N 3.14Å; I47-L50 WeakPolarHBondContact O-CA 3.15Å; I47-L50 WeakPolarHBondContact O-CB 3.42Å; I47-L50 PolarHBondContact O-N 3.18Å; I47-L51 HydrophobicContact CG2-CD1 3.64Å; I47-L51 HydrophobicContact CG2-CG 4.05Å; I47-L51 PolarHBondContact O-N 2.95Å; I47-F106 HydrophobicContact CB-CE2 4.45Å; I47-F106 HydrophobicContact CG2-CE2 4.45Å |
| 48 | P | 96.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.6 | -35.8 | 177.6 | -28.9 | 37.3 | 0 | 0 | 0 | 113.5 | L45 H46 L50 L51 K52 Y55 F106 N109 F110 | L45-P48 VanDerWaalsContact O-CD 3.32Å; L45-P48 WeakPolarHBondContact O-CD 3.33Å; H46-P48 VanDerWaalsContact C-N 3.25Å; H46-P48 VanDerWaalsContact O-N 3.14Å; P48-L50 PolarHBondContact O-N 3.29Å; P48-L51 CarbonylContact O-C 3.59Å; P48-L51 PolarHBondContact O-N 3.3Å; P48-K52 PolarHBondContact O-N 2.97Å; P48-Y55 PolarHBondContact O-OH 2.72Å; P48-F106 HydrophobicContact CG-CD2 3.82Å; P48-F106 HydrophobicContact CG-CE1 4.3Å; P48-F106 HydrophobicContact CG-CE2 3.51Å; P48-F106 HydrophobicContact CG-CG 4.35Å; P48-F106 HydrophobicContact CG-CZ 3.78Å; P48-N109 HydrophobicContact CB-CB 4.3Å; P48-N109 HydrophobicContact CG-CB 4.05Å; P48-F110 HydrophobicContact CB-CB 3.94Å; P48-F110 HydrophobicContact CB-CD2 4.38Å; P48-F110 HydrophobicContact CG-CB 4.1Å |
| 49 | W | 95.5 | Very high | 91.3 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 6% | 0.057 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.1 | -31.6 | 174.8 | -65.2 | 91.1 | 0 | 0 | 0 | 113.7 | H46 I47 L51 K52 N109 A112 A113 D116 L387 | H46-W49 WeakPolarHBondContact O-CB 3.4Å; H46-W49 PolarHBondContact O-N 3.23Å; I47-W49 PolarHBondContact O-N 2.98Å; I47-W49 VanDerWaalsContact O-N 3.14Å; W49-L51 VanDerWaalsContact C-N 3.26Å; W49-K52 HydrophobicContact CE3-CD 4.21Å; W49-K52 VanDerWaalsContact O-CG 3.25Å; W49-K52 WeakPolarHBondContact O-CG 3.29Å; W49-N109 PolarHBondContact NE1-OD1 3.32Å; W49-A112 HydrophobicContact CH2-CB 4.2Å; W49-A112 HydrophobicContact CZ2-CB 3.46Å; W49-A112 VanDerWaalsContact CZ2-CB 3.46Å; W49-A113 HydrophobicContact CB-CB 4.42Å; W49-A113 HydrophobicContact CD2-CB 3.73Å; W49-A113 HydrophobicContact CE3-CB 3.93Å; W49-A113 HydrophobicContact CG-CB 3.95Å; W49-A113 HydrophobicContact CZ3-CB 4.49Å; W49-D116 HydrophobicContact CH2-CB 4.02Å; W49-D116 HydrophobicContact CZ3-CB 3.65Å; W49-L387 HydrophobicContact CB-CD2 3.12Å; W49-L387 HydrophobicContact CD2-CD2 4.2Å; W49-L387 HydrophobicContact CE3-CD2 4.18Å; W49-L387 HydrophobicContact CG-CD2 3.83Å |
| 50 | L | 93.4 | Very high | 90.8 | Very high | 36 Ų | 36 | 36.5 Ų | 36.5 | 19% | 0.188 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.2 | -26.7 | 174 | -61.5 | -178.1 | 0 | 0 | 0 | 111.7 | I47 P48 T384 L388 L391 | I47-L50 WeakPolarHBondContact O-CA 3.15Å; I47-L50 WeakPolarHBondContact O-CB 3.42Å; I47-L50 PolarHBondContact O-N 3.18Å; P48-L50 PolarHBondContact O-N 3.29Å; L50-T384 WeakPolarHBondContact O-CG2 3.4Å; L50-L388 HydrophobicContact CD1-CD1 4.19Å; L50-L388 HydrophobicContact CD2-CB 4.09Å; L50-L388 HydrophobicContact CD2-CD1 3.7Å; L50-L388 HydrophobicContact CG-CD1 4.47Å; L50-L391 HydrophobicContact CD1-CD1 4.46Å; L50-L391 HydrophobicContact CD2-CB 4.32Å; L50-L391 HydrophobicContact CD2-CD1 3.69Å; L50-L391 HydrophobicContact CG-CD1 3.92Å |
| 51 | L | 93.9 | Very high | 90 | Very high | 82 Ų | 82 | 39.8 Ų | 39.8 | 43% | 0.429 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -94.1 | -4.4 | 179.7 | -60.9 | 179.3 | 0 | 0 | 0 | 113.2 | I47 P48 W49 S53 F54 Y55 | I47-L51 HydrophobicContact CG2-CD1 3.64Å; I47-L51 HydrophobicContact CG2-CG 4.05Å; I47-L51 PolarHBondContact O-N 2.95Å; P48-L51 CarbonylContact O-C 3.59Å; P48-L51 PolarHBondContact O-N 3.3Å; W49-L51 VanDerWaalsContact C-N 3.26Å; L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 2.86Å; L51-F54 HydrophobicContact CB-CD2 4.44Å; L51-F54 HydrophobicContact CD2-CD2 4.06Å; L51-F54 HydrophobicContact CD2-CE2 4.09Å; L51-F54 WeakPolarHBondContact O-CB 3.28Å; L51-F54 PolarHBondContact O-N 2.84Å; L51-Y55 HydrophobicContact CB-CE1 4.43Å; L51-Y55 VanDerWaalsContact O-CD1 3.24Å; L51-Y55 WeakPolarHBondContact O-CD1 3.41Å |
| 52 | K | 94 | Very high | 89.2 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.6 | -37.4 | -173.1 | 85.4 | 178.6 | 177.3 | 166.5 | 0 | 113.2 | P48 W49 F54 Y55 A56 A113 D116 I117 S383 T384 | P48-K52 PolarHBondContact O-N 2.97Å; W49-K52 HydrophobicContact CE3-CD 4.21Å; W49-K52 VanDerWaalsContact O-CG 3.25Å; W49-K52 WeakPolarHBondContact O-CG 3.29Å; K52-F54 PolarHBondContact O-N 3.31Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 PolarHBondContact O-N 2.89Å; K52-A56 WeakPolarHBondContact O-CA 3.33Å; K52-A56 VanDerWaalsContact O-CB 3.25Å; K52-A56 WeakPolarHBondContact O-CB 3.27Å; K52-A56 PolarHBondContact O-N 2.64Å; K52-A113 HydrophobicContact CB-CB 4.24Å; K52-D116 IonicContact NZ-OD1 3.37Å; K52-D116 PolarHBondContact NZ-OD1 3.11Å; K52-D116 IonicContact NZ-OD2 3.65Å; K52-D116 PolarHBondContact NZ-OD2 3.28Å; K52-I117 HydrophobicContact CB-CD1 3.71Å; K52-I117 HydrophobicContact CB-CG1 4.24Å; K52-I117 HydrophobicContact CD-CG1 4.35Å; K52-I117 HydrophobicContact CG-CD1 4.35Å; K52-I117 HydrophobicContact CG-CG1 4.37Å; K52-S383 WeakPolarHBondContact CE-OG 3.23Å; K52-S383 PolarHBondContact NZ-OG 3.26Å; K52-T384 WeakPolarHBondContact CG-OG1 3.31Å |
| 53 | S | 91.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.4 | -27.6 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 114.1 | L51 T384 | L51-S53 VanDerWaalsContact C-N 3.27Å; L51-S53 PolarHBondContact O-N 2.86Å; S53-T384 PolarHBondContact N-OG1 3.44Å |
| 54 | F | 89.8 | Confident | 88.4 | Confident | 128 Ų | 128 | 43.4 Ų | 43.4 | 56% | 0.561 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -75.7 | -38.1 | -179.3 | -66.8 | -85.9 | 0 | 0 | 0 | 112.4 | L51 K52 F228 | L51-F54 HydrophobicContact CB-CD2 4.44Å; L51-F54 HydrophobicContact CD2-CD2 4.06Å; L51-F54 HydrophobicContact CD2-CE2 4.09Å; L51-F54 WeakPolarHBondContact O-CB 3.28Å; L51-F54 PolarHBondContact O-N 2.84Å; K52-F54 PolarHBondContact O-N 3.31Å; F54-F228 HydrophobicContact CD1-CZ 4.03Å; F54-F228 HydrophobicContact CE1-CE1 4.47Å; F54-F228 HydrophobicContact CE1-CZ 4.14Å; F54-F228 HydrophobicContact CG-CZ 4.46Å |
| 55 | Y | 90.2 | Very high | 88.3 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 17% | 0.173 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -102.7 | -4.7 | -178.9 | 68.3 | -97.3 | 0 | 0 | 0 | 113.8 | P48 L51 K52 P57 V58 I59 F110 A113 I117 | P48-Y55 PolarHBondContact O-OH 2.72Å; L51-Y55 HydrophobicContact CB-CE1 4.43Å; L51-Y55 VanDerWaalsContact O-CD1 3.24Å; L51-Y55 WeakPolarHBondContact O-CD1 3.41Å; K52-Y55 HydrophobicContact CB-CE1 4.15Å; K52-Y55 PolarHBondContact O-N 2.89Å; Y55-P57 VanDerWaalsContact C-N 3.31Å; Y55-V58 WeakPolarHBondContact O-CB 3.26Å; Y55-V58 PolarHBondContact O-N 2.67Å; Y55-I59 HydrophobicContact CD2-CD1 3.77Å; Y55-I59 HydrophobicContact CD2-CG1 4.28Å; Y55-I59 HydrophobicContact CE2-CD1 3.67Å; Y55-I59 PolarHBondContact O-N 2.85Å; Y55-F110 HydrophobicContact CE1-CE2 4.48Å; Y55-F110 HydrophobicContact CE2-CE2 4.28Å; Y55-A113 VanDerWaalsContact OH-CB 3.28Å; Y55-A113 WeakPolarHBondContact OH-CB 3.32Å; Y55-I117 HydrophobicContact CD2-CD1 4.06Å; Y55-I117 HydrophobicContact CE2-CD1 3.57Å |
| 56 | A | 89.9 | Confident | 88.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -49.4 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | K52 V58 I59 D60 I117 | K52-A56 WeakPolarHBondContact O-CA 3.33Å; K52-A56 VanDerWaalsContact O-CB 3.25Å; K52-A56 WeakPolarHBondContact O-CB 3.27Å; K52-A56 PolarHBondContact O-N 2.64Å; A56-V58 PolarHBondContact O-N 3.06Å; A56-I59 CarbonylContact O-C 3.58Å; A56-I59 WeakPolarHBondContact O-CB 3.44Å; A56-I59 PolarHBondContact O-N 3.33Å; A56-I59 VanDerWaalsContact O-N 3.07Å; A56-D60 PolarHBondContact O-N 3.37Å; A56-I117 HydrophobicContact CB-CD1 3.9Å; A56-I117 HydrophobicContact CB-CG1 4.09Å; A56-I117 HydrophobicContact CB-CG2 3.83Å |
| 57 | P | 84.3 | Confident | 88 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75 | -18.5 | -176.9 | -5.2 | 21.5 | 0 | 0 | 0 | 112.7 | Y55 D60 R61 Y222 Y224 T377 | Y55-P57 VanDerWaalsContact C-N 3.31Å; P57-D60 PolarHBondContact O-N 2.79Å; P57-R61 WeakPolarHBondContact O-CB 3.29Å; P57-R61 VanDerWaalsContact O-CG 3.27Å; P57-R61 WeakPolarHBondContact O-CG 3.38Å; P57-R61 PolarHBondContact O-N 3.35Å; P57-R61 VanDerWaalsContact O-N 3.08Å; P57-Y222 HydrophobicContact CB-CE1 3.89Å; P57-Y224 HydrophobicContact CB-CD1 3.84Å; P57-Y224 HydrophobicContact CB-CE1 3.26Å; P57-Y224 HydrophobicContact CG-CD1 3.54Å; P57-Y224 HydrophobicContact CG-CE1 3.39Å; P57-T377 HydrophobicContact CG-CG2 3.78Å; P57-T377 WeakPolarHBondContact CG-OG1 3.36Å |
| 58 | V | 85.7 | Confident | 87.9 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 36% | 0.364 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -48.1 | 167.6 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | Y55 A56 D60 R61 H62 | Y55-V58 WeakPolarHBondContact O-CB 3.26Å; Y55-V58 PolarHBondContact O-N 2.67Å; A56-V58 PolarHBondContact O-N 3.06Å; V58-D60 VanDerWaalsContact C-N 3.31Å; V58-D60 PolarHBondContact O-N 3.22Å; V58-R61 PolarHBondContact O-N 2.78Å; V58-H62 WeakPolarHBondContact CA-ND1 3.45Å; V58-H62 VanDerWaalsContact O-CB 3.28Å; V58-H62 WeakPolarHBondContact O-CB 3.28Å; V58-H62 PolarHBondContact O-N 3.46Å; V58-H62 PolarHBondContact O-ND1 3.22Å |
| 59 | I | 86.1 | Confident | 87.9 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.1 | -32.5 | 177 | -63.9 | -175.3 | 0 | 0 | 0 | 112.2 | Y55 A56 K65 W68 I117 T118 | Y55-I59 HydrophobicContact CD2-CD1 3.77Å; Y55-I59 HydrophobicContact CD2-CG1 4.28Å; Y55-I59 HydrophobicContact CE2-CD1 3.67Å; Y55-I59 PolarHBondContact O-N 2.85Å; A56-I59 CarbonylContact O-C 3.58Å; A56-I59 WeakPolarHBondContact O-CB 3.44Å; A56-I59 PolarHBondContact O-N 3.33Å; A56-I59 VanDerWaalsContact O-N 3.07Å; I59-K65 PolarHBondContact O-NZ 3.46Å; I59-W68 HydrophobicContact CB-CD2 4.35Å; I59-W68 HydrophobicContact CB-CZ2 4.45Å; I59-W68 HydrophobicContact CD1-CE3 4.24Å; I59-W68 HydrophobicContact CD1-CH2 4.45Å; I59-W68 HydrophobicContact CD1-CZ3 4.16Å; I59-W68 HydrophobicContact CG1-CD2 4.06Å; I59-W68 HydrophobicContact CG1-CE3 4.11Å; I59-W68 HydrophobicContact CG1-CH2 3.86Å; I59-W68 HydrophobicContact CG1-CZ2 3.81Å; I59-W68 HydrophobicContact CG1-CZ3 4.01Å; I59-W68 HydrophobicContact CG2-CB 4.42Å; I59-W68 HydrophobicContact CG2-CD2 3.96Å; I59-W68 HydrophobicContact CG2-CG 3.89Å; I59-I117 HydrophobicContact CB-CG2 4.04Å; I59-I117 HydrophobicContact CD1-CB 4.48Å; I59-I117 HydrophobicContact CD1-CD1 3.96Å; I59-I117 HydrophobicContact CG2-CB 4.45Å; I59-I117 HydrophobicContact CG2-CG2 3.85Å; I59-T118 VanDerWaalsContact CG2-OG1 3.28Å; I59-T118 WeakPolarHBondContact CG2-OG1 3.29Å |
| 60 | D | 80 | Confident | 87.9 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 9% | 0.086 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73.1 | -31 | 178 | -72.5 | -38.4 | 0 | 0 | 0 | 114.1 | A56 P57 V58 K65 S121 Q194 A376 | A56-D60 PolarHBondContact O-N 3.37Å; P57-D60 PolarHBondContact O-N 2.79Å; V58-D60 VanDerWaalsContact C-N 3.31Å; V58-D60 PolarHBondContact O-N 3.22Å; D60-K65 IonicContact OD1-NZ 2.69Å; D60-K65 PolarHBondContact OD1-NZ 3.36Å; D60-S121 VanDerWaalsContact OD1-CB 3.23Å; D60-S121 WeakPolarHBondContact OD1-CB 3.43Å; D60-S121 PolarHBondContact OD1-OG 3.28Å; D60-Q194 PolarHBondContact O-NE2 2.9Å; D60-A376 WeakPolarHBondContact OD2-CB 3.4Å |
| 61 | R | 74.3 | Confident | 88 | Confident | 69 Ų | 69 | 46.8 Ų | 46.8 | 26% | 0.26 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -110.1 | -29.6 | -170.6 | -61.6 | -178.5 | 71.5 | 89.9 | -0.8 | 114.3 | P57 V58 Q194 Y222 | P57-R61 WeakPolarHBondContact O-CB 3.29Å; P57-R61 VanDerWaalsContact O-CG 3.27Å; P57-R61 WeakPolarHBondContact O-CG 3.38Å; P57-R61 PolarHBondContact O-N 3.35Å; P57-R61 VanDerWaalsContact O-N 3.08Å; V58-R61 PolarHBondContact O-N 2.78Å; R61-Q194 VanDerWaalsContact C-NE2 3.35Å; R61-Q194 PolarHBondContact O-NE2 3.35Å; R61-Y222 VanDerWaalsContact NH1-CD2 3.34Å; R61-Y222 VanDerWaalsContact NH1-CG 3.27Å |
| 62 | H | 74.4 | Confident | 88.2 | Confident | 97 Ų | 97 | 42.9 Ų | 42.9 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -96.7 | 128.8 | -177.7 | -58.2 | 80.5 | 0 | 0 | 0 | 108.8 | V58 W68 | V58-H62 WeakPolarHBondContact CA-ND1 3.45Å; V58-H62 VanDerWaalsContact O-CB 3.28Å; V58-H62 WeakPolarHBondContact O-CB 3.28Å; V58-H62 PolarHBondContact O-N 3.46Å; V58-H62 PolarHBondContact O-ND1 3.22Å; H62-W68 PolarHBondContact O-NE1 3.18Å |
| 63 | V | 79.2 | Confident | 88.4 | Confident | 78 Ų | 78 | 42.6 Ų | 42.6 | 47% | 0.473 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 64.6 | 159.1 | -180 | -154.3 | 0 | 0 | 0 | 0 | 112.6 | V67 Q194 | V63-V67 HydrophobicContact CG1-CB 3.45Å; V63-V67 VanDerWaalsContact CG1-CB 3.45Å; V63-V67 HydrophobicContact CG1-CG1 3.59Å; V63-V67 HydrophobicContact CG1-CG2 3.88Å; V63-Q194 PolarHBondContact O-NE2 3.43Å |
| 64 | N | 86.1 | Confident | 88.8 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | trans | -70.5 | 158.8 | 173.8 | 67.4 | 21.5 | 0 | 0 | 0 | 111.1 | R66 V67 W68 | N64-R66 PolarHBondContact O-N 2.93Å; N64-R66 WeakPolarHBondContact OD1-CB 3.42Å; N64-R66 PolarHBondContact OD1-N 3.09Å; N64-V67 PolarHBondContact O-N 3.46Å; N64-V67 WeakPolarHBondContact OD1-CB 3.33Å; N64-V67 WeakPolarHBondContact OD1-CG2 3.48Å; N64-V67 PolarHBondContact OD1-N 3.35Å; N64-W68 PolarHBondContact O-N 2.84Å | ||
| 65 | K | 88.4 | Confident | 89.2 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 10% | 0.096 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.9 | -19 | 176.2 | -60.5 | -65.8 | 177.9 | -176.6 | 0 | 113.2 | I59 D60 L69 T118 S121 L122 W187 | I59-K65 PolarHBondContact O-NZ 3.46Å; D60-K65 IonicContact OD1-NZ 2.69Å; D60-K65 PolarHBondContact OD1-NZ 3.36Å; K65-L69 WeakPolarHBondContact O-CG 3.02Å; K65-L69 PolarHBondContact O-N 3.1Å; K65-T118 HydrophobicContact CB-CG2 4.07Å; K65-T118 HydrophobicContact CD-CG2 3.78Å; K65-S121 VanDerWaalsContact CE-OG 3.24Å; K65-S121 WeakPolarHBondContact CE-OG 3.36Å; K65-S121 PolarHBondContact NZ-OG 3.44Å; K65-S121 VanDerWaalsContact NZ-OG 3.1Å; K65-L122 HydrophobicContact CB-CD1 4.26Å; K65-L122 HydrophobicContact CB-CD2 3.86Å; K65-L122 HydrophobicContact CB-CG 4.14Å; K65-L122 HydrophobicContact CG-CD2 3.89Å; K65-L122 HydrophobicContact CG-CG 4.2Å; K65-W187 HydrophobicContact CB-CH2 4.25Å; K65-W187 HydrophobicContact CB-CZ3 4.22Å |
| 66 | R | 89.5 | Confident | 89.6 | Confident | 77 Ų | 77 | 35.2 Ų | 35.2 | 29% | 0.291 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.5 | -52.3 | -179.7 | -166.8 | 168.5 | 177.1 | -160 | -6.5 | 112.4 | N64 W68 L69 F70 C181 L182 W187 | N64-R66 PolarHBondContact O-N 2.93Å; N64-R66 WeakPolarHBondContact OD1-CB 3.42Å; N64-R66 PolarHBondContact OD1-N 3.09Å; R66-W68 VanDerWaalsContact C-N 3.27Å; R66-L69 PolarHBondContact O-N 3.48Å; R66-F70 WeakPolarHBondContact O-CB 3.07Å; R66-F70 PolarHBondContact O-N 3.29Å; R66-C181 PolarHBondContact NE-O 3.35Å; R66-C181 PolarHBondContact NH2-O 3.47Å; R66-C181 VanDerWaalsContact NH2-O 3.07Å; R66-L182 PolarHBondContact NH2-O 3.45Å; R66-W187 HydrophobicContact CB-CD2 3.74Å; R66-W187 HydrophobicContact CB-CE3 3.36Å; R66-W187 HydrophobicContact CB-CH2 3.32Å; R66-W187 HydrophobicContact CB-CZ2 3.54Å; R66-W187 HydrophobicContact CB-CZ3 3.13Å; R66-W187 VanDerWaalsContact CD-CD2 3.43Å; R66-W187 HydrophobicContact CG-CD2 3.57Å; R66-W187 HydrophobicContact CG-CE3 3.77Å; R66-W187 HydrophobicContact CG-CG 4.37Å; R66-W187 HydrophobicContact CG-CH2 3.85Å; R66-W187 HydrophobicContact CG-CZ2 3.48Å; R66-W187 VanDerWaalsContact CG-CZ2 3.48Å; R66-W187 HydrophobicContact CG-CZ3 3.91Å |
| 67 | V | 91.5 | Very high | 90 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 33% | 0.327 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -69.8 | -37.9 | -175.3 | 172.4 | 0 | 0 | 0 | 0 | 107.7 | V63 N64 F70 I71 | V63-V67 HydrophobicContact CG1-CB 3.45Å; V63-V67 VanDerWaalsContact CG1-CB 3.45Å; V63-V67 HydrophobicContact CG1-CG1 3.59Å; V63-V67 HydrophobicContact CG1-CG2 3.88Å; N64-V67 PolarHBondContact O-N 3.46Å; N64-V67 WeakPolarHBondContact OD1-CB 3.33Å; N64-V67 WeakPolarHBondContact OD1-CG2 3.48Å; N64-V67 PolarHBondContact OD1-N 3.35Å; V67-F70 PolarHBondContact O-N 3.33Å; V67-I71 HydrophobicContact CG1-CD1 3.49Å; V67-I71 VanDerWaalsContact CG1-CD1 3.49Å; V67-I71 HydrophobicContact CG1-CG1 4.08Å; V67-I71 VanDerWaalsContact O-CB 3.26Å; V67-I71 WeakPolarHBondContact O-CB 3.37Å; V67-I71 WeakPolarHBondContact O-CG1 3.46Å; V67-I71 PolarHBondContact O-N 3.14Å |
| 68 | W | 92.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 15% | 0.152 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 171.9 | -83.1 | 113.5 | 0 | 0 | 0 | 113.7 | I59 H62 N64 R66 F70 I71 S72 T118 | I59-W68 HydrophobicContact CB-CD2 4.35Å; I59-W68 HydrophobicContact CB-CZ2 4.45Å; I59-W68 HydrophobicContact CD1-CE3 4.24Å; I59-W68 HydrophobicContact CD1-CH2 4.45Å; I59-W68 HydrophobicContact CD1-CZ3 4.16Å; I59-W68 HydrophobicContact CG1-CD2 4.06Å; I59-W68 HydrophobicContact CG1-CE3 4.11Å; I59-W68 HydrophobicContact CG1-CH2 3.86Å; I59-W68 HydrophobicContact CG1-CZ2 3.81Å; I59-W68 HydrophobicContact CG1-CZ3 4.01Å; I59-W68 HydrophobicContact CG2-CB 4.42Å; I59-W68 HydrophobicContact CG2-CD2 3.96Å; I59-W68 HydrophobicContact CG2-CG 3.89Å; H62-W68 PolarHBondContact O-NE1 3.18Å; N64-W68 PolarHBondContact O-N 2.84Å; R66-W68 VanDerWaalsContact C-N 3.27Å; W68-F70 PolarHBondContact O-N 3.31Å; W68-I71 PolarHBondContact O-N 3.12Å; W68-S72 WeakPolarHBondContact O-CB 3.18Å; W68-S72 PolarHBondContact O-N 3.48Å; W68-S72 PolarHBondContact O-OG 2.9Å; W68-S72 VanDerWaalsContact O-OG 3.05Å; W68-T118 HydrophobicContact CB-CG2 3.93Å |
| 69 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | 174.8 | -73.5 | 178.4 | 0 | 0 | 0 | 111.7 | L10 K65 R66 I71 S72 F73 Q115 T118 V119 L122 W187 | L10-L69 HydrophobicContact CD1-CD1 4.14Å; L10-L69 HydrophobicContact CD2-CD1 4.09Å; L10-L69 HydrophobicContact CD2-CD2 4.44Å; K65-L69 WeakPolarHBondContact O-CG 3.02Å; K65-L69 PolarHBondContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 3.48Å; L69-I71 PolarHBondContact O-N 3.37Å; L69-S72 WeakPolarHBondContact CA-OG 3.18Å; L69-S72 PolarHBondContact O-N 3.01Å; L69-S72 PolarHBondContact O-OG 3.37Å; L69-F73 HydrophobicContact CB-CD2 4.42Å; L69-F73 HydrophobicContact CB-CE2 4.18Å; L69-F73 HydrophobicContact CD2-CE2 4.47Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.36Å; L69-F73 WeakPolarHBondContact O-CG 3.39Å; L69-F73 PolarHBondContact O-N 3.45Å; L69-Q115 HydrophobicContact CD2-CG 4.21Å; L69-T118 HydrophobicContact CD2-CG2 3.79Å; L69-T118 HydrophobicContact CG-CG2 3.7Å; L69-V119 HydrophobicContact CD2-CG2 3.82Å; L69-L122 HydrophobicContact CD1-CD1 3.88Å; L69-W187 HydrophobicContact CD1-CH2 4.17Å; L69-W187 HydrophobicContact CD1-CZ2 4.11Å |
| 70 | F | 95.6 | Very high | 91.8 | Very high | 68 Ų | 68 | 41.9 Ų | 41.9 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 178.9 | -176.9 | -92.9 | 0 | 0 | 0 | 112 | R66 V67 W68 F73 S74 M178 C181 L182 | R66-F70 WeakPolarHBondContact O-CB 3.07Å; R66-F70 PolarHBondContact O-N 3.29Å; V67-F70 PolarHBondContact O-N 3.33Å; W68-F70 PolarHBondContact O-N 3.31Å; F70-F73 PolarHBondContact O-N 3.32Å; F70-S74 VanDerWaalsContact O-CB 3.32Å; F70-S74 WeakPolarHBondContact O-CB 3.38Å; F70-S74 PolarHBondContact O-N 3.27Å; F70-S74 PolarHBondContact O-OG 3.49Å; F70-M178 HydrophobicContact CD2-CB 4.23Å; F70-M178 HydrophobicContact CE2-CB 3.99Å; F70-M178 HydrophobicContact CE2-CE 4.33Å; F70-M178 HydrophobicContact CE2-CG 4.49Å; F70-M178 HydrophobicContact CZ-CE 4.19Å; F70-C181 HydrophobicContact CB-CB 4.05Å; F70-C181 HydrophobicContact CD2-CB 4.07Å; F70-L182 HydrophobicContact CD2-CD2 4.24Å; F70-L182 HydrophobicContact CD2-CG 4.48Å; F70-L182 HydrophobicContact CE2-CD1 4.32Å; F70-L182 HydrophobicContact CE2-CD2 3.95Å; F70-L182 HydrophobicContact CE2-CG 4.12Å |
| 71 | I | 96.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.7 | -47.8 | 176.1 | -72.3 | 170.1 | 0 | 0 | 0 | 110 | V67 W68 L69 F73 S74 G75 W111 | V67-I71 HydrophobicContact CG1-CD1 3.49Å; V67-I71 VanDerWaalsContact CG1-CD1 3.49Å; V67-I71 HydrophobicContact CG1-CG1 4.08Å; V67-I71 VanDerWaalsContact O-CB 3.26Å; V67-I71 WeakPolarHBondContact O-CB 3.37Å; V67-I71 WeakPolarHBondContact O-CG1 3.46Å; V67-I71 PolarHBondContact O-N 3.14Å; W68-I71 PolarHBondContact O-N 3.12Å; L69-I71 PolarHBondContact O-N 3.37Å; I71-F73 PolarHBondContact O-N 2.98Å; I71-S74 PolarHBondContact O-N 2.98Å; I71-G75 PolarHBondContact O-N 3.27Å; I71-W111 HydrophobicContact CG2-CE3 4.25Å; I71-W111 HydrophobicContact CG2-CH2 4.13Å; I71-W111 HydrophobicContact CG2-CZ3 3.55Å |
| 72 | S | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -42.6 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 112 | W68 L69 G75 L76 | W68-S72 WeakPolarHBondContact O-CB 3.18Å; W68-S72 PolarHBondContact O-N 3.48Å; W68-S72 PolarHBondContact O-OG 2.9Å; W68-S72 VanDerWaalsContact O-OG 3.05Å; L69-S72 WeakPolarHBondContact CA-OG 3.18Å; L69-S72 PolarHBondContact O-N 3.01Å; L69-S72 PolarHBondContact O-OG 3.37Å; S72-G75 PolarHBondContact O-N 3.44Å; S72-L76 WeakPolarHBondContact O-CB 3.32Å; S72-L76 VanDerWaalsContact O-CG 3.28Å; S72-L76 WeakPolarHBondContact O-CG 3.49Å; S72-L76 PolarHBondContact O-N 2.97Å |
| 73 | F | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.2 | -37.6 | 176.4 | -69.3 | -46.6 | 0 | 0 | 0 | 112.3 | L10 L13 L69 F70 I71 L76 F77 Q115 Y174 G177 M178 | L10-F73 HydrophobicContact CD2-CE2 4.08Å; L10-F73 HydrophobicContact CD2-CZ 3.87Å; L13-F73 HydrophobicContact CB-CE1 3.75Å; L13-F73 HydrophobicContact CB-CZ 4.28Å; L13-F73 HydrophobicContact CD1-CD1 4.23Å; L13-F73 HydrophobicContact CD1-CE1 3.49Å; L13-F73 VanDerWaalsContact CD1-CE1 3.49Å; L13-F73 HydrophobicContact CD1-CE2 4.41Å; L13-F73 HydrophobicContact CD1-CZ 3.6Å; L13-F73 HydrophobicContact CG-CE1 4.28Å; L69-F73 HydrophobicContact CB-CD2 4.42Å; L69-F73 HydrophobicContact CB-CE2 4.18Å; L69-F73 HydrophobicContact CD2-CE2 4.47Å; L69-F73 WeakPolarHBondContact O-CB 3.41Å; L69-F73 WeakPolarHBondContact O-CD2 3.36Å; L69-F73 WeakPolarHBondContact O-CG 3.39Å; L69-F73 PolarHBondContact O-N 3.45Å; F70-F73 PolarHBondContact O-N 3.32Å; I71-F73 PolarHBondContact O-N 2.98Å; F73-L76 HydrophobicContact CD1-CD1 4.35Å; F73-L76 PolarHBondContact O-N 3.25Å; F73-F77 VanDerWaalsContact O-CB 3.24Å; F73-F77 WeakPolarHBondContact O-CB 3.2Å; F73-F77 PolarHBondContact O-N 2.98Å; F73-Q115 HydrophobicContact CE1-CG 4.32Å; F73-Y174 HydrophobicContact CD1-CD1 4.3Å; F73-G177 VanDerWaalsContact CD2-C 3.44Å; F73-G177 WeakPolarHBondContact CD2-O 3.48Å; F73-M178 HydrophobicContact CB-CG 3.67Å |
| 74 | S | 98.5 | Very high | 95.3 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 111 | F70 I71 F77 F78 | F70-S74 VanDerWaalsContact O-CB 3.32Å; F70-S74 WeakPolarHBondContact O-CB 3.38Å; F70-S74 PolarHBondContact O-N 3.27Å; F70-S74 PolarHBondContact O-OG 3.49Å; I71-S74 PolarHBondContact O-N 2.98Å; S74-F77 WeakPolarHBondContact O-CB 3.19Å; S74-F77 PolarHBondContact O-N 3.39Å; S74-F78 WeakPolarHBondContact O-CD2 3.45Å; S74-F78 PolarHBondContact O-N 3.41Å |
| 75 | G | 98.5 | Very high | 95.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 6% | 0.062 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.6 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I71 S72 F78 C79 W111 | I71-G75 PolarHBondContact O-N 3.27Å; S72-G75 PolarHBondContact O-N 3.44Å; G75-F78 PolarHBondContact O-N 3.43Å; G75-C79 WeakPolarHBondContact O-CB 3.45Å; G75-C79 PolarHBondContact O-N 2.95Å; G75-C79 PolarHBondContact O-SG 3.23Å; G75-W111 VanDerWaalsContact CA-CD1 3.45Å |
| 76 | L | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.7 | -70.2 | 169.8 | 0 | 0 | 0 | 111.9 | P17 S72 F73 C79 T80 Y108 W111 A112 Y174 | P17-L76 HydrophobicContact CG-CD1 4.44Å; P17-L76 HydrophobicContact CG-CD2 3.91Å; S72-L76 WeakPolarHBondContact O-CB 3.32Å; S72-L76 VanDerWaalsContact O-CG 3.28Å; S72-L76 WeakPolarHBondContact O-CG 3.49Å; S72-L76 PolarHBondContact O-N 2.97Å; F73-L76 HydrophobicContact CD1-CD1 4.35Å; F73-L76 PolarHBondContact O-N 3.25Å; L76-C79 PolarHBondContact O-N 2.97Å; L76-T80 PolarHBondContact O-N 2.91Å; L76-T80 PolarHBondContact O-OG1 2.97Å; L76-Y108 HydrophobicContact CB-CE2 4.39Å; L76-Y108 HydrophobicContact CD2-CD2 3.47Å; L76-Y108 VanDerWaalsContact CD2-CD2 3.47Å; L76-Y108 HydrophobicContact CD2-CE2 3.48Å; L76-Y108 VanDerWaalsContact CD2-CE2 3.48Å; L76-Y108 HydrophobicContact CD2-CG 4.2Å; L76-W111 HydrophobicContact CD2-CB 4Å; L76-W111 HydrophobicContact CG-CB 3.88Å; L76-A112 HydrophobicContact CD2-CB 4.14Å; L76-Y174 HydrophobicContact CB-CD1 3.83Å; L76-Y174 HydrophobicContact CB-CD2 3.82Å; L76-Y174 HydrophobicContact CB-CE1 3.99Å; L76-Y174 HydrophobicContact CB-CE2 3.95Å; L76-Y174 HydrophobicContact CB-CG 3.76Å; L76-Y174 HydrophobicContact CD1-CD1 3.97Å; L76-Y174 HydrophobicContact CD1-CE1 3.71Å; L76-Y174 HydrophobicContact CG-CE1 4.35Å |
| 77 | F | 98.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.6 | -51.3 | 175.1 | 173.3 | -92.1 | 0 | 0 | 0 | 112 | F73 S74 C79 T80 V81 S171 A175 M178 | F73-F77 VanDerWaalsContact O-CB 3.24Å; F73-F77 WeakPolarHBondContact O-CB 3.2Å; F73-F77 PolarHBondContact O-N 2.98Å; S74-F77 WeakPolarHBondContact O-CB 3.19Å; S74-F77 PolarHBondContact O-N 3.39Å; F77-C79 VanDerWaalsContact C-N 3.32Å; F77-C79 PolarHBondContact O-N 3.01Å; F77-T80 PolarHBondContact O-N 2.96Å; F77-T80 PolarHBondContact O-OG1 3.37Å; F77-V81 HydrophobicContact CD1-CG2 4.29Å; F77-V81 HydrophobicContact CE1-CG2 3.87Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.87Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.02Å; F77-S171 VanDerWaalsContact CD2-O 3.25Å; F77-S171 WeakPolarHBondContact CD2-O 3.39Å; F77-A175 HydrophobicContact CD2-CB 4.03Å; F77-A175 HydrophobicContact CE2-CB 4.04Å; F77-M178 HydrophobicContact CB-SD 4Å; F77-M178 HydrophobicContact CG-SD 4.13Å |
| 78 | F | 98.2 | Very high | 95.2 | Very high | 136 Ų | 136 | 44.5 Ų | 44.5 | 60% | 0.596 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64 | -37.7 | 179.6 | -75.1 | -60.6 | 0 | 0 | 0 | 112.3 | S74 G75 T80 V81 L82 | S74-F78 WeakPolarHBondContact O-CD2 3.45Å; S74-F78 PolarHBondContact O-N 3.41Å; G75-F78 PolarHBondContact O-N 3.43Å; F78-T80 PolarHBondContact O-N 3.39Å; F78-V81 PolarHBondContact O-N 3.21Å; F78-L82 WeakPolarHBondContact O-CB 3.45Å; F78-L82 PolarHBondContact O-N 3.44Å |
| 79 | C | 97.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 45.2 Ų | 45.2 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 174.7 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | G75 L76 F77 L82 L83 C104 Y108 | G75-C79 WeakPolarHBondContact O-CB 3.45Å; G75-C79 PolarHBondContact O-N 2.95Å; G75-C79 PolarHBondContact O-SG 3.23Å; L76-C79 PolarHBondContact O-N 2.97Å; F77-C79 VanDerWaalsContact C-N 3.32Å; F77-C79 PolarHBondContact O-N 3.01Å; C79-L82 PolarHBondContact O-N 3.01Å; C79-L83 VanDerWaalsContact O-CG 3.32Å; C79-L83 WeakPolarHBondContact O-CG 3.19Å; C79-L83 PolarHBondContact O-N 3.33Å; C79-C104 PolarHBondContact O-SG 3.05Å; C79-C104 VanDerWaalsContact O-SG 3.4Å; C79-Y108 HydrophobicContact CB-CD2 3.62Å; C79-Y108 HydrophobicContact CB-CE2 4.49Å; C79-Y108 HydrophobicContact CB-CG 4.32Å |
| 80 | T | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.5 | -31.9 | 177.8 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | L76 F77 F78 L83 F84 Y108 L170 S171 Y174 | L76-T80 PolarHBondContact O-N 2.91Å; L76-T80 PolarHBondContact O-OG1 2.97Å; F77-T80 PolarHBondContact O-N 2.96Å; F77-T80 PolarHBondContact O-OG1 3.37Å; F78-T80 PolarHBondContact O-N 3.39Å; T80-L83 PolarHBondContact O-N 2.97Å; T80-F84 PolarHBondContact O-N 3.33Å; T80-Y108 HydrophobicContact CG2-CE2 3.85Å; T80-L170 HydrophobicContact CG2-CB 3.91Å; T80-L170 HydrophobicContact CG2-CD1 4.29Å; T80-S171 VanDerWaalsContact CB-OG 3.24Å; T80-S171 WeakPolarHBondContact CB-OG 3.28Å; T80-S171 WeakPolarHBondContact OG1-CA 3.46Å; T80-S171 PolarHBondContact OG1-OG 3.36Å; T80-Y174 HydrophobicContact CG2-CD2 4.04Å; T80-Y174 HydrophobicContact CG2-CE2 3.68Å |
| 81 | V | 97.3 | Very high | 92.9 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.7 | -41.2 | 170.7 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | F77 F78 F84 H85 S171 | F77-V81 HydrophobicContact CD1-CG2 4.29Å; F77-V81 HydrophobicContact CE1-CG2 3.87Å; F77-V81 HydrophobicContact CE2-CG2 4.3Å; F77-V81 HydrophobicContact CZ-CG2 3.87Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.02Å; F78-V81 PolarHBondContact O-N 3.21Å; V81-F84 WeakPolarHBondContact O-CB 3.36Å; V81-F84 PolarHBondContact O-N 3.23Å; V81-H85 PolarHBondContact O-N 2.8Å; V81-S171 PolarHBondContact N-OG 2.72Å |
| 82 | L | 94.9 | Very high | 91.9 | Very high | 66 Ų | 66 | 45.6 Ų | 45.6 | 35% | 0.346 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66 | -42.2 | 175.6 | -176.4 | 60.2 | 0 | 0 | 0 | 111.6 | F78 C79 F84 H85 E86 C104 | F78-L82 WeakPolarHBondContact O-CB 3.45Å; F78-L82 PolarHBondContact O-N 3.44Å; C79-L82 PolarHBondContact O-N 3.01Å; L82-F84 VanDerWaalsContact C-N 3.26Å; L82-F84 PolarHBondContact O-N 2.91Å; L82-H85 PolarHBondContact O-N 3.47Å; L82-H85 VanDerWaalsContact O-N 3.17Å; L82-E86 HydrophobicContact CD1-CG 4.11Å; L82-E86 HydrophobicContact CG-CG 4.44Å; L82-E86 WeakPolarHBondContact O-CG 3.25Å; L82-E86 PolarHBondContact O-N 3.12Å; L82-C104 HydrophobicContact CD2-CB 3.87Å |
| 83 | L | 94.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -31.5 | 174.4 | -71.5 | 170.8 | 0 | 0 | 0 | 112.9 | C79 T80 S87 I101 L105 F167 | C79-L83 VanDerWaalsContact O-CG 3.32Å; C79-L83 WeakPolarHBondContact O-CG 3.19Å; C79-L83 PolarHBondContact O-N 3.33Å; T80-L83 PolarHBondContact O-N 2.97Å; L83-S87 WeakPolarHBondContact O-CA 3.35Å; L83-S87 WeakPolarHBondContact O-CB 3.37Å; L83-S87 PolarHBondContact O-N 3.43Å; L83-I101 HydrophobicContact CD2-CG2 4.38Å; L83-L105 HydrophobicContact CD1-CD2 4.04Å; L83-L105 HydrophobicContact CD2-CD2 4.25Å; L83-L105 HydrophobicContact CD2-CG 4.44Å; L83-F167 HydrophobicContact CB-CD1 3.86Å; L83-F167 HydrophobicContact CB-CD2 3.95Å; L83-F167 HydrophobicContact CB-CE1 3.94Å; L83-F167 HydrophobicContact CB-CE2 4.01Å; L83-F167 HydrophobicContact CB-CG 3.88Å; L83-F167 HydrophobicContact CB-CZ 4.01Å; L83-F167 HydrophobicContact CD1-CD1 4.16Å; L83-F167 HydrophobicContact CD1-CE1 3.8Å; L83-F167 HydrophobicContact CD1-CZ 4.3Å; L83-F167 HydrophobicContact CG-CE1 4.43Å; L83-F167 WeakPolarHBondContact O-CD2 3.19Å |
| 84 | F | 94.1 | Very high | 88.4 | Confident | 76 Ų | 76 | 52.8 Ų | 52.8 | 33% | 0.333 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.4 | -50.6 | 170 | 161.7 | -109.4 | 0 | 0 | 0 | 111.2 | T80 V81 L82 E86 S87 S164 F167 I168 | T80-F84 PolarHBondContact O-N 3.33Å; V81-F84 WeakPolarHBondContact O-CB 3.36Å; V81-F84 PolarHBondContact O-N 3.23Å; L82-F84 VanDerWaalsContact C-N 3.26Å; L82-F84 PolarHBondContact O-N 2.91Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-E86 PolarHBondContact O-N 3.33Å; F84-S87 WeakPolarHBondContact O-CB 3.45Å; F84-S87 PolarHBondContact O-N 3.29Å; F84-S87 VanDerWaalsContact O-N 3.16Å; F84-S87 PolarHBondContact O-OG 3.16Å; F84-S164 VanDerWaalsContact CD2-O 3.23Å; F84-S164 WeakPolarHBondContact CD2-O 3.25Å; F84-F167 HydrophobicContact CB-CB 3.91Å; F84-I168 HydrophobicContact CB-CG1 4.47Å; F84-I168 HydrophobicContact CD1-CG1 4.32Å; F84-I168 HydrophobicContact CD2-CD1 3.76Å; F84-I168 HydrophobicContact CD2-CG1 3.69Å; F84-I168 HydrophobicContact CE1-CD1 4.27Å; F84-I168 HydrophobicContact CE2-CD1 3.42Å; F84-I168 VanDerWaalsContact CE2-CD1 3.42Å; F84-I168 HydrophobicContact CE2-CG1 3.92Å; F84-I168 HydrophobicContact CG-CD1 4.29Å; F84-I168 HydrophobicContact CG-CG1 3.89Å; F84-I168 HydrophobicContact CZ-CD1 3.71Å; F84-I168 HydrophobicContact CZ-CG1 4.34Å |
| 85 | H | 91.4 | Very high | 86.5 | Confident | 140 Ų | 140 | 57.7 Ų | 57.7 | 65% | 0.648 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.8 | -41.9 | 178.9 | -174.5 | -95.1 | 0 | 0 | 0 | 112.1 | V81 L82 S87 | V81-H85 PolarHBondContact O-N 2.8Å; L82-H85 PolarHBondContact O-N 3.47Å; L82-H85 VanDerWaalsContact O-N 3.17Å; H85-S87 VanDerWaalsContact C-N 3.3Å; H85-S87 PolarHBondContact O-N 3.1Å |
| 86 | E | 89.6 | Confident | 84.1 | Confident | 22 Ų | 22 | 67.5 Ų | 67.5 | 10% | 0.103 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 10.3 | 179.6 | -55.2 | -51.5 | 145.6 | 0 | 0 | 113.6 | L82 F84 E88 Q89 L90 I101 | L82-E86 HydrophobicContact CD1-CG 4.11Å; L82-E86 HydrophobicContact CG-CG 4.44Å; L82-E86 WeakPolarHBondContact O-CG 3.25Å; L82-E86 PolarHBondContact O-N 3.12Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-E86 PolarHBondContact O-N 3.33Å; E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 2.95Å; E86-Q89 PolarHBondContact O-N 3.27Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; E86-Q89 PolarHBondContact OE2-NE2 3.34Å; E86-Q89 PolarHBondContact OE2-OE1 3.33Å; E86-L90 PolarHBondContact O-N 3.14Å; E86-I101 HydrophobicContact CB-CD1 4.44Å; E86-I101 HydrophobicContact CB-CG1 4.21Å |
| 87 | S | 88.4 | Confident | 82.2 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 11% | 0.112 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.3 | -35.9 | -172.5 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | L83 F84 H85 Q89 L90 V91 S164 | L83-S87 WeakPolarHBondContact O-CA 3.35Å; L83-S87 WeakPolarHBondContact O-CB 3.37Å; L83-S87 PolarHBondContact O-N 3.43Å; F84-S87 WeakPolarHBondContact O-CB 3.45Å; F84-S87 PolarHBondContact O-N 3.29Å; F84-S87 VanDerWaalsContact O-N 3.16Å; F84-S87 PolarHBondContact O-OG 3.16Å; H85-S87 VanDerWaalsContact C-N 3.3Å; H85-S87 PolarHBondContact O-N 3.1Å; S87-Q89 VanDerWaalsContact C-N 3.29Å; S87-Q89 PolarHBondContact O-N 3.48Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 PolarHBondContact O-N 3.48Å; S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.22Å; S87-V91 VanDerWaalsContact O-N 3.15Å; S87-S164 VanDerWaalsContact OG-CB 3.27Å; S87-S164 WeakPolarHBondContact OG-CB 3.49Å |
| 88 | E | 84 | Confident | 81.1 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 174.7 | -171.1 | 179.4 | 175.7 | 0 | 0 | 111.1 | E86 V91 S92 | E86-E88 VanDerWaalsContact C-N 3.34Å; E86-E88 PolarHBondContact O-N 2.95Å; E88-V91 PolarHBondContact O-N 2.99Å; E88-S92 WeakPolarHBondContact O-CB 3.48Å; E88-S92 PolarHBondContact O-N 3.21Å; E88-S92 PolarHBondContact O-OG 2.85Å |
| 89 | Q | 81.4 | Confident | 80.4 | Confident | 54 Ų | 54 | 74.9 Ų | 74.9 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.9 | -37.9 | 178.3 | -62.1 | 178.2 | 15.2 | 0 | 0 | 112.7 | E86 S87 V91 S92 G93 | E86-Q89 PolarHBondContact O-N 3.27Å; E86-Q89 VanDerWaalsContact O-N 3.11Å; E86-Q89 PolarHBondContact OE2-NE2 3.34Å; E86-Q89 PolarHBondContact OE2-OE1 3.33Å; S87-Q89 VanDerWaalsContact C-N 3.29Å; S87-Q89 PolarHBondContact O-N 3.48Å; Q89-V91 PolarHBondContact O-N 3.39Å; Q89-S92 WeakPolarHBondContact CA-OG 3.12Å; Q89-S92 PolarHBondContact O-N 3.02Å; Q89-S92 PolarHBondContact O-OG 2.97Å; Q89-G93 PolarHBondContact O-N 2.9Å |
| 90 | L | 81.1 | Confident | 79.9 | Confident | 15 Ų | 15 | 77.1 Ų | 77.1 | 8% | 0.079 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55 | -33.9 | 171.4 | -171.7 | 75.5 | 0 | 0 | 0 | 111 | L25 F29 E86 S87 I101 I163 F167 | L25-L90 HydrophobicContact CD2-CD2 4.18Å; F29-L90 HydrophobicContact CE1-CD1 3.6Å; F29-L90 HydrophobicContact CE1-CG 4.11Å; F29-L90 HydrophobicContact CZ-CD1 3.72Å; E86-L90 PolarHBondContact O-N 3.14Å; S87-L90 WeakPolarHBondContact O-CB 3.46Å; S87-L90 PolarHBondContact O-N 3.48Å; L90-I101 HydrophobicContact CB-CD1 4.1Å; L90-I101 HydrophobicContact CD1-CD1 3.98Å; L90-I101 HydrophobicContact CD1-CG2 3.67Å; L90-I163 HydrophobicContact CD2-CG2 4.36Å; L90-F167 HydrophobicContact CD2-CE2 3.69Å; L90-F167 HydrophobicContact CD2-CZ 3.78Å |
| 91 | V | 74.8 | Confident | 79.5 | Confident | 45 Ų | 45 | 77.9 Ų | 77.9 | 27% | 0.273 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -90.5 | -30.9 | -178.1 | 176.1 | 0 | 0 | 0 | 0 | 113.2 | K32 S87 E88 Q89 I163 | K32-V91 WeakPolarHBondContact CE-O 3.39Å; K32-V91 PolarHBondContact NZ-O 2.89Å; S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 3.41Å; S87-V91 PolarHBondContact O-N 3.22Å; S87-V91 VanDerWaalsContact O-N 3.15Å; E88-V91 PolarHBondContact O-N 2.99Å; Q89-V91 PolarHBondContact O-N 3.39Å; V91-I163 HydrophobicContact CG2-CD1 3.65Å |
| 92 | S | 73.7 | Confident | 79.3 | Confident | 79 Ų | 79 | 77 Ų | 77 | 55% | 0.552 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -77.7 | -19.1 | -177.5 | 71.3 | 0 | 0 | 0 | 0 | 113.8 | E88 Q89 N94 | E88-S92 WeakPolarHBondContact O-CB 3.48Å; E88-S92 PolarHBondContact O-N 3.21Å; E88-S92 PolarHBondContact O-OG 2.85Å; Q89-S92 WeakPolarHBondContact CA-OG 3.12Å; Q89-S92 PolarHBondContact O-N 3.02Å; Q89-S92 PolarHBondContact O-OG 2.97Å; S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3.13Å |
| 93 | G | 62.9 | Low | 79.2 | Confident | 53 Ų | 53 | 78.8 Ų | 78.8 | 55% | 0.546 | 40% | 0.4 | S | S | . | . | trans | 72.2 | 19 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q89 | Q89-G93 PolarHBondContact O-N 2.9Š| ||
| 94 | N | 59.5 | Low | 79.2 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 52% | 0.524 | 40% | 0.401 | S | S | . | . | trans | -75.3 | 127.4 | -178.1 | -151.4 | -9.6 | 0 | 0 | 0 | 111.4 | S92 Y96 F97 | S92-N94 VanDerWaalsContact C-N 3.31Å; S92-N94 PolarHBondContact O-N 3.13Å; N94-Y96 VanDerWaalsContact C-N 3.28Å; N94-Y96 PolarHBondContact O-N 2.91Å; N94-F97 PolarHBondContact O-N 3.29Å | ||
| 95 | N | 58.9 | Low | 79.3 | Confident | 119 Ų | 119 | 75.3 Ų | 75.3 | 64% | 0.636 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -61.7 | -30 | -169.7 | -73.9 | -26.9 | 0 | 0 | 0 | 114.2 | F97 M98 | N95-F97 VanDerWaalsContact C-N 3.27Å; N95-F97 PolarHBondContact O-N 3.29Å; N95-M98 PolarHBondContact O-N 3.11Å |
| 96 | Y | 49.4 | Very low | 79.5 | Confident | 211 Ų | 211 | 71.9 Ų | 71.9 | 83% | 0.827 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.8 | -174 | -72.1 | -81 | 0 | 0 | 0 | 114.2 | N94 | N94-Y96 VanDerWaalsContact C-N 3.28Å; N94-Y96 PolarHBondContact O-N 2.91Å |
| 97 | F | 57 | Low | 79.9 | Confident | 92 Ų | 92 | 73.7 Ų | 73.7 | 40% | 0.404 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -101.3 | 8.5 | -176.2 | -75.7 | -83.7 | 0 | 0 | 0 | 114.6 | N94 N95 F99 | N94-F97 PolarHBondContact O-N 3.29Å; N95-F97 VanDerWaalsContact C-N 3.27Å; N95-F97 PolarHBondContact O-N 3.29Å; F97-F99 PolarHBondContact O-N 3.35Å |
| 98 | M | 76.2 | Confident | 80.4 | Confident | 95 Ų | 95 | 72.9 Ų | 72.9 | 47% | 0.468 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.8 | -28.4 | 178 | -75.4 | -172.9 | 175.4 | 0 | 0 | 113.2 | N95 S102 | N95-M98 PolarHBondContact O-N 3.11Å; M98-S102 WeakPolarHBondContact O-CB 3.32Å; M98-S102 PolarHBondContact O-N 2.86Å; M98-S102 PolarHBondContact O-OG 3.28Å |
| 99 | F | 84.3 | Confident | 81 | Confident | 160 Ų | 160 | 65.3 Ų | 65.3 | 70% | 0.702 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -68.4 | -50.5 | -178.4 | -175.6 | -97.7 | 0 | 0 | 0 | 112.4 | F97 I101 S102 F103 | F97-F99 PolarHBondContact O-N 3.35Å; F99-I101 PolarHBondContact O-N 3.48Å; F99-S102 PolarHBondContact O-N 3.11Å; F99-F103 HydrophobicContact CE1-CB 4.4Å; F99-F103 WeakPolarHBondContact O-CB 3.38Å; F99-F103 PolarHBondContact O-N 2.86Å |
| 100 | T | 87.9 | Confident | 81.8 | Confident | 57 Ų | 57 | 65.7 Ų | 65.7 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.5 | -47.3 | -178.5 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | F103 C104 | T100-F103 PolarHBondContact O-N 3.37Å; T100-C104 VanDerWaalsContact O-CB 3.26Å; T100-C104 WeakPolarHBondContact O-CB 3.42Å; T100-C104 PolarHBondContact O-N 3.27Å |
| 101 | I | 89.5 | Confident | 82.7 | Confident | 17 Ų | 17 | 67.8 Ų | 67.8 | 9% | 0.087 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.3 | -44.7 | 178.5 | -64.3 | 174.5 | 0 | 0 | 0 | 110.6 | L83 E86 L90 F99 F103 C104 L105 | L83-I101 HydrophobicContact CD2-CG2 4.38Å; E86-I101 HydrophobicContact CB-CD1 4.44Å; E86-I101 HydrophobicContact CB-CG1 4.21Å; L90-I101 HydrophobicContact CB-CD1 4.1Å; L90-I101 HydrophobicContact CD1-CD1 3.98Å; L90-I101 HydrophobicContact CD1-CG2 3.67Å; F99-I101 PolarHBondContact O-N 3.48Å; I101-F103 PolarHBondContact O-N 3.12Å; I101-C104 WeakPolarHBondContact O-CB 3.5Å; I101-C104 PolarHBondContact O-N 3.17Å; I101-L105 HydrophobicContact CG2-CD1 3.98Å; I101-L105 HydrophobicContact CG2-CG 4.48Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 WeakPolarHBondContact O-CG 3.15Å; I101-L105 PolarHBondContact O-N 3.18Å |
| 102 | S | 91.4 | Very high | 83.8 | Confident | 41 Ų | 41 | 65.6 Ų | 65.6 | 29% | 0.287 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | 178.9 | -62.3 | 0 | 0 | 0 | 0 | 112 | M98 F99 L105 F106 | M98-S102 WeakPolarHBondContact O-CB 3.32Å; M98-S102 PolarHBondContact O-N 2.86Å; M98-S102 PolarHBondContact O-OG 3.28Å; F99-S102 PolarHBondContact O-N 3.11Å; S102-L105 PolarHBondContact O-N 3.04Å; S102-F106 WeakPolarHBondContact O-CB 3.41Å; S102-F106 PolarHBondContact O-N 2.94Å |
| 103 | F | 93.2 | Very high | 84.9 | Confident | 103 Ų | 103 | 61.9 Ų | 61.9 | 45% | 0.452 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 175.7 | -177.1 | -102.9 | 0 | 0 | 0 | 111.5 | F99 T100 I101 L105 F106 M107 | F99-F103 HydrophobicContact CE1-CB 4.4Å; F99-F103 WeakPolarHBondContact O-CB 3.38Å; F99-F103 PolarHBondContact O-N 2.86Å; T100-F103 PolarHBondContact O-N 3.37Å; I101-F103 PolarHBondContact O-N 3.12Å; F103-L105 PolarHBondContact O-N 3.35Å; F103-F106 WeakPolarHBondContact O-CB 3.45Å; F103-F106 PolarHBondContact O-N 3.38Å; F103-M107 HydrophobicContact CD1-CG 4.44Å; F103-M107 HydrophobicContact CE1-CE 4.08Å; F103-M107 HydrophobicContact CE1-CG 4.05Å; F103-M107 HydrophobicContact CE2-CE 3.89Å; F103-M107 HydrophobicContact CZ-CE 3.36Å; F103-M107 HydrophobicContact CZ-CG 4.11Å; F103-M107 WeakPolarHBondContact O-CG 3.39Å; F103-M107 PolarHBondContact O-N 3.38Å |
| 104 | C | 95.2 | Very high | 86.5 | Confident | 5 Ų | 5 | 59.3 Ų | 59.3 | 3% | 0.034 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 172.6 | -178.6 | 0 | 0 | 0 | 0 | 111.2 | C79 L82 T100 I101 F106 M107 Y108 | C79-C104 PolarHBondContact O-SG 3.05Å; C79-C104 VanDerWaalsContact O-SG 3.4Å; L82-C104 HydrophobicContact CD2-CB 3.87Å; T100-C104 VanDerWaalsContact O-CB 3.26Å; T100-C104 WeakPolarHBondContact O-CB 3.42Å; T100-C104 PolarHBondContact O-N 3.27Å; I101-C104 WeakPolarHBondContact O-CB 3.5Å; I101-C104 PolarHBondContact O-N 3.17Å; C104-F106 PolarHBondContact O-N 3.3Å; C104-M107 CarbonylContact O-C 3.58Å; C104-M107 PolarHBondContact O-N 3.42Å; C104-Y108 WeakPolarHBondContact O-CB 3.44Å; C104-Y108 PolarHBondContact O-N 3.2Å |
| 105 | L | 95.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 178.2 | -70.1 | 172.8 | 0 | 0 | 0 | 112.8 | L25 H42 L45 L83 I101 S102 F103 Y108 N109 | L25-L105 HydrophobicContact CD1-CD1 3.88Å; L25-L105 HydrophobicContact CD1-CD2 3.64Å; L25-L105 HydrophobicContact CD1-CG 4.45Å; H42-L105 WeakPolarHBondContact CE1-CD1 3.2Å; L45-L105 HydrophobicContact CD1-CB 3.84Å; L45-L105 HydrophobicContact CD1-CD1 4.22Å; L83-L105 HydrophobicContact CD1-CD2 4.04Å; L83-L105 HydrophobicContact CD2-CD2 4.25Å; L83-L105 HydrophobicContact CD2-CG 4.44Å; I101-L105 HydrophobicContact CG2-CD1 3.98Å; I101-L105 HydrophobicContact CG2-CG 4.48Å; I101-L105 WeakPolarHBondContact O-CB 3.46Å; I101-L105 WeakPolarHBondContact O-CG 3.15Å; I101-L105 PolarHBondContact O-N 3.18Å; S102-L105 PolarHBondContact O-N 3.04Å; F103-L105 PolarHBondContact O-N 3.35Å; L105-Y108 WeakPolarHBondContact O-CB 3.33Å; L105-Y108 PolarHBondContact O-N 3.39Å; L105-N109 PolarHBondContact O-N 2.93Å; L105-N109 PolarHBondContact O-ND2 3.36Å |
| 106 | F | 96.6 | Very high | 90.1 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 30% | 0.303 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.1 | -48.1 | 170 | 175.9 | -93.1 | 0 | 0 | 0 | 110.9 | L45 I47 P48 S102 F103 C104 Y108 N109 F110 | L45-F106 HydrophobicContact CD2-CB 4.35Å; I47-F106 HydrophobicContact CB-CE2 4.45Å; I47-F106 HydrophobicContact CG2-CE2 4.45Å; P48-F106 HydrophobicContact CG-CD2 3.82Å; P48-F106 HydrophobicContact CG-CE1 4.3Å; P48-F106 HydrophobicContact CG-CE2 3.51Å; P48-F106 HydrophobicContact CG-CG 4.35Å; P48-F106 HydrophobicContact CG-CZ 3.78Å; S102-F106 WeakPolarHBondContact O-CB 3.41Å; S102-F106 PolarHBondContact O-N 2.94Å; F103-F106 WeakPolarHBondContact O-CB 3.45Å; F103-F106 PolarHBondContact O-N 3.38Å; C104-F106 PolarHBondContact O-N 3.3Å; F106-Y108 VanDerWaalsContact C-N 3.32Å; F106-Y108 PolarHBondContact O-N 3.43Å; F106-N109 WeakPolarHBondContact O-CB 3.38Å; F106-N109 PolarHBondContact O-N 3.44Å; F106-F110 PolarHBondContact O-N 3.47Å |
| 107 | M | 98 | Very high | 92.2 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 29% | 0.291 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.7 | -73.7 | -61.6 | -168.8 | 0 | 0 | 112.2 | F103 C104 N109 F110 W111 | F103-M107 HydrophobicContact CD1-CG 4.44Å; F103-M107 HydrophobicContact CE1-CE 4.08Å; F103-M107 HydrophobicContact CE1-CG 4.05Å; F103-M107 HydrophobicContact CE2-CE 3.89Å; F103-M107 HydrophobicContact CZ-CE 3.36Å; F103-M107 HydrophobicContact CZ-CG 4.11Å; F103-M107 WeakPolarHBondContact O-CG 3.39Å; F103-M107 PolarHBondContact O-N 3.38Å; C104-M107 CarbonylContact O-C 3.58Å; C104-M107 PolarHBondContact O-N 3.42Å; M107-N109 VanDerWaalsContact C-N 3.3Å; M107-N109 PolarHBondContact O-N 3.1Å; M107-F110 WeakPolarHBondContact O-CB 3.39Å; M107-F110 PolarHBondContact O-N 3.44Å; M107-F110 VanDerWaalsContact O-N 3.08Å; M107-W111 PolarHBondContact O-N 3.26Å |
| 108 | Y | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 174 | -170.4 | -116.3 | 0 | 0 | 0 | 111.7 | P17 V20 L76 C79 T80 C104 L105 F106 A112 Y174 | P17-Y108 VanDerWaalsContact CA-CE1 3.5Å; P17-Y108 HydrophobicContact CB-CD1 4.19Å; P17-Y108 HydrophobicContact CB-CE1 3.55Å; P17-Y108 HydrophobicContact CG-CE1 4.17Å; V20-Y108 HydrophobicContact CB-CE1 4.31Å; V20-Y108 HydrophobicContact CG1-CE1 4.3Å; L76-Y108 HydrophobicContact CB-CE2 4.39Å; L76-Y108 HydrophobicContact CD2-CD2 3.47Å; L76-Y108 VanDerWaalsContact CD2-CD2 3.47Å; L76-Y108 HydrophobicContact CD2-CE2 3.48Å; L76-Y108 VanDerWaalsContact CD2-CE2 3.48Å; L76-Y108 HydrophobicContact CD2-CG 4.2Å; C79-Y108 HydrophobicContact CB-CD2 3.62Å; C79-Y108 HydrophobicContact CB-CE2 4.49Å; C79-Y108 HydrophobicContact CB-CG 4.32Å; T80-Y108 HydrophobicContact CG2-CE2 3.85Å; C104-Y108 WeakPolarHBondContact O-CB 3.44Å; C104-Y108 PolarHBondContact O-N 3.2Å; L105-Y108 WeakPolarHBondContact O-CB 3.33Å; L105-Y108 PolarHBondContact O-N 3.39Å; F106-Y108 VanDerWaalsContact C-N 3.32Å; F106-Y108 PolarHBondContact O-N 3.43Å; Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 2.97Å; Y108-Y174 AromaticContact CE2-CE2 3.95Å; Y108-Y174 HydrophobicContact CE2-CE2 3.95Å; Y108-Y174 PolarHBondContact OH-OH 3.08Å |
| 109 | N | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66 | -39.9 | 172.1 | -78.4 | -71.2 | 0 | 0 | 0 | 112.9 | Q21 L45 H46 P48 W49 L105 F106 M107 A112 A113 | Q21-N109 PolarHBondContact NE2-ND2 3.29Å; Q21-N109 PolarHBondContact NE2-OD1 2.76Å; Q21-N109 PolarHBondContact OE1-ND2 3.43Å; L45-N109 WeakPolarHBondContact O-CB 3.48Å; L45-N109 PolarHBondContact O-ND2 3.36Å; H46-N109 PolarHBondContact CD2-OD1 3.45Å; P48-N109 HydrophobicContact CB-CB 4.3Å; P48-N109 HydrophobicContact CG-CB 4.05Å; W49-N109 PolarHBondContact NE1-OD1 3.32Å; L105-N109 PolarHBondContact O-N 2.93Å; L105-N109 PolarHBondContact O-ND2 3.36Å; F106-N109 WeakPolarHBondContact O-CB 3.38Å; F106-N109 PolarHBondContact O-N 3.44Å; M107-N109 VanDerWaalsContact C-N 3.3Å; M107-N109 PolarHBondContact O-N 3.1Å; N109-A112 PolarHBondContact O-N 3.49Å; N109-A113 VanDerWaalsContact O-CB 3.25Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 3.2Å |
| 110 | F | 98 | Very high | 95.3 | Very high | 62 Ų | 62 | 23.1 Ų | 23.1 | 27% | 0.272 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 177.5 | 175.1 | -99.4 | 0 | 0 | 0 | 111.9 | P48 Y55 F106 M107 S114 | P48-F110 HydrophobicContact CB-CB 3.94Å; P48-F110 HydrophobicContact CB-CD2 4.38Å; P48-F110 HydrophobicContact CG-CB 4.1Å; Y55-F110 HydrophobicContact CE1-CE2 4.48Å; Y55-F110 HydrophobicContact CE2-CE2 4.28Å; F106-F110 PolarHBondContact O-N 3.47Å; M107-F110 WeakPolarHBondContact O-CB 3.39Å; M107-F110 PolarHBondContact O-N 3.44Å; M107-F110 VanDerWaalsContact O-N 3.08Å; F110-S114 WeakPolarHBondContact O-CB 3.35Å; F110-S114 PolarHBondContact O-N 3.45Å; F110-S114 PolarHBondContact O-OG 3.03Å |
| 111 | W | 98.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 21.1 Ų | 21.1 | 22% | 0.22 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 177 | -60.9 | 124.9 | 0 | 0 | 0 | 112.4 | I71 G75 L76 M107 S114 Q115 | I71-W111 HydrophobicContact CG2-CE3 4.25Å; I71-W111 HydrophobicContact CG2-CH2 4.13Å; I71-W111 HydrophobicContact CG2-CZ3 3.55Å; G75-W111 VanDerWaalsContact CA-CD1 3.45Å; L76-W111 HydrophobicContact CD2-CB 4Å; L76-W111 HydrophobicContact CG-CB 3.88Å; M107-W111 PolarHBondContact O-N 3.26Å; W111-S114 PolarHBondContact O-N 3.47Å; W111-Q115 PolarHBondContact O-N 3.46Å |
| 112 | A | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P17 W49 L76 Y108 N109 S114 Q115 D116 | P17-A112 HydrophobicContact CB-CB 3.68Å; P17-A112 HydrophobicContact CG-CB 3.71Å; W49-A112 HydrophobicContact CH2-CB 4.2Å; W49-A112 HydrophobicContact CZ2-CB 3.46Å; W49-A112 VanDerWaalsContact CZ2-CB 3.46Å; L76-A112 HydrophobicContact CD2-CB 4.14Å; Y108-A112 WeakPolarHBondContact O-CB 3.49Å; Y108-A112 PolarHBondContact O-N 2.97Å; N109-A112 PolarHBondContact O-N 3.49Å; A112-S114 VanDerWaalsContact C-N 3.31Å; A112-S114 PolarHBondContact O-N 2.85Å; A112-Q115 WeakPolarHBondContact O-CB 3.33Å; A112-Q115 PolarHBondContact O-N 3.05Å; A112-D116 PolarHBondContact O-N 3.41Å |
| 113 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W49 K52 Y55 N109 D116 I117 | W49-A113 HydrophobicContact CB-CB 4.42Å; W49-A113 HydrophobicContact CD2-CB 3.73Å; W49-A113 HydrophobicContact CE3-CB 3.93Å; W49-A113 HydrophobicContact CG-CB 3.95Å; W49-A113 HydrophobicContact CZ3-CB 4.49Å; K52-A113 HydrophobicContact CB-CB 4.24Å; Y55-A113 VanDerWaalsContact OH-CB 3.28Å; Y55-A113 WeakPolarHBondContact OH-CB 3.32Å; N109-A113 VanDerWaalsContact O-CB 3.25Å; N109-A113 WeakPolarHBondContact O-CB 3.36Å; N109-A113 PolarHBondContact O-N 3.2Å; A113-D116 PolarHBondContact O-N 2.87Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 2.85Å; A113-I117 VanDerWaalsContact O-N 3.12Å |
| 114 | S | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -68.6 | -37.4 | 175.3 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | F110 W111 A112 T118 | F110-S114 WeakPolarHBondContact O-CB 3.35Å; F110-S114 PolarHBondContact O-N 3.45Å; F110-S114 PolarHBondContact O-OG 3.03Å; W111-S114 PolarHBondContact O-N 3.47Å; A112-S114 VanDerWaalsContact C-N 3.31Å; A112-S114 PolarHBondContact O-N 2.85Å; S114-T118 PolarHBondContact O-N 3.2Å; S114-T118 PolarHBondContact O-OG1 3.24Å |
| 115 | Q | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61.1 | -51.7 | 171.6 | -176.1 | -158.3 | -7.3 | 0 | 0 | 110.3 | L10 L69 F73 W111 A112 I117 T118 V119 | L10-Q115 PolarHBondContact O-NE2 3.23Å; L69-Q115 HydrophobicContact CD2-CG 4.21Å; F73-Q115 HydrophobicContact CE1-CG 4.32Å; W111-Q115 PolarHBondContact O-N 3.46Å; A112-Q115 WeakPolarHBondContact O-CB 3.33Å; A112-Q115 PolarHBondContact O-N 3.05Å; Q115-I117 PolarHBondContact O-N 2.82Å; Q115-T118 CarbonylContact O-C 3.57Å; Q115-T118 WeakPolarHBondContact O-CA 3.45Å; Q115-T118 VanDerWaalsContact O-CB 3.31Å; Q115-T118 WeakPolarHBondContact O-CB 3.37Å; Q115-T118 PolarHBondContact O-N 3.1Å; Q115-V119 HydrophobicContact CG-CG2 4.1Å; Q115-V119 WeakPolarHBondContact O-CG2 3.5Å; Q115-V119 PolarHBondContact O-N 2.93Å |
| 116 | D | 96.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 18.3 Ų | 18.3 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -53.6 | -50.4 | 180 | 162 | 116.5 | 0 | 0 | 0 | 111.9 | E14 W49 K52 A112 A113 T118 V119 D120 | E14-D116 HydrophobicContact CG-CB 4.14Å; W49-D116 HydrophobicContact CH2-CB 4.02Å; W49-D116 HydrophobicContact CZ3-CB 3.65Å; K52-D116 IonicContact NZ-OD1 3.37Å; K52-D116 PolarHBondContact NZ-OD1 3.11Å; K52-D116 IonicContact NZ-OD2 3.65Å; K52-D116 PolarHBondContact NZ-OD2 3.28Å; A112-D116 PolarHBondContact O-N 3.41Å; A113-D116 PolarHBondContact O-N 2.87Å; D116-T118 PolarHBondContact O-N 3.48Å; D116-V119 PolarHBondContact O-N 2.87Å; D116-D120 WeakPolarHBondContact O-CB 3.43Å; D116-D120 PolarHBondContact O-N 3.17Å |
| 117 | I | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -53.9 | -44.2 | 174.4 | -68.1 | 160.7 | 0 | 0 | 0 | 110.9 | K52 Y55 A56 I59 A113 Q115 S121 | K52-I117 HydrophobicContact CB-CD1 3.71Å; K52-I117 HydrophobicContact CB-CG1 4.24Å; K52-I117 HydrophobicContact CD-CG1 4.35Å; K52-I117 HydrophobicContact CG-CD1 4.35Å; K52-I117 HydrophobicContact CG-CG1 4.37Å; Y55-I117 HydrophobicContact CD2-CD1 4.06Å; Y55-I117 HydrophobicContact CE2-CD1 3.57Å; A56-I117 HydrophobicContact CB-CD1 3.9Å; A56-I117 HydrophobicContact CB-CG1 4.09Å; A56-I117 HydrophobicContact CB-CG2 3.83Å; I59-I117 HydrophobicContact CB-CG2 4.04Å; I59-I117 HydrophobicContact CD1-CB 4.48Å; I59-I117 HydrophobicContact CD1-CD1 3.96Å; I59-I117 HydrophobicContact CG2-CB 4.45Å; I59-I117 HydrophobicContact CG2-CG2 3.85Å; A113-I117 WeakPolarHBondContact O-CG1 3.27Å; A113-I117 PolarHBondContact O-N 2.85Å; A113-I117 VanDerWaalsContact O-N 3.12Å; Q115-I117 PolarHBondContact O-N 2.82Å; I117-S121 WeakPolarHBondContact O-CB 3.22Å; I117-S121 PolarHBondContact O-N 3.5Å |
| 118 | T | 93.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.9 | -44.2 | -176.9 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | I59 K65 W68 L69 S114 Q115 D116 L122 | I59-T118 VanDerWaalsContact CG2-OG1 3.28Å; I59-T118 WeakPolarHBondContact CG2-OG1 3.29Å; K65-T118 HydrophobicContact CB-CG2 4.07Å; K65-T118 HydrophobicContact CD-CG2 3.78Å; W68-T118 HydrophobicContact CB-CG2 3.93Å; L69-T118 HydrophobicContact CD2-CG2 3.79Å; L69-T118 HydrophobicContact CG-CG2 3.7Å; S114-T118 PolarHBondContact O-N 3.2Å; S114-T118 PolarHBondContact O-OG1 3.24Å; Q115-T118 CarbonylContact O-C 3.57Å; Q115-T118 WeakPolarHBondContact O-CA 3.45Å; Q115-T118 VanDerWaalsContact O-CB 3.31Å; Q115-T118 WeakPolarHBondContact O-CB 3.37Å; Q115-T118 PolarHBondContact O-N 3.1Å; D116-T118 PolarHBondContact O-N 3.48Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 3.42Å |
| 119 | V | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -70.2 | -43.2 | -179.8 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | L7 L10 Y11 L69 Q115 D116 S121 L122 T123 | L7-V119 HydrophobicContact CD2-CG1 4.38Å; L10-V119 HydrophobicContact CB-CG1 3.93Å; L10-V119 HydrophobicContact CB-CG2 3.91Å; L10-V119 HydrophobicContact CD1-CG1 4.43Å; L10-V119 HydrophobicContact CD1-CG2 4.33Å; Y11-V119 HydrophobicContact CD1-CG1 3.89Å; Y11-V119 HydrophobicContact CD2-CG1 4.11Å; Y11-V119 HydrophobicContact CE1-CB 4.17Å; Y11-V119 HydrophobicContact CE1-CG1 3.5Å; Y11-V119 VanDerWaalsContact CE1-CG1 3.5Å; Y11-V119 HydrophobicContact CE2-CG1 3.76Å; Y11-V119 HydrophobicContact CG-CG1 4.18Å; Y11-V119 VanDerWaalsContact CZ-CG1 3.44Å; L69-V119 HydrophobicContact CD2-CG2 3.82Å; Q115-V119 HydrophobicContact CG-CG2 4.1Å; Q115-V119 WeakPolarHBondContact O-CG2 3.5Å; Q115-V119 PolarHBondContact O-N 2.93Å; D116-V119 PolarHBondContact O-N 2.87Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.36Å; V119-L122 CarbonylContact O-C 3.43Å; V119-L122 WeakPolarHBondContact O-CB 3.33Å; V119-L122 PolarHBondContact O-N 2.88Å; V119-L122 VanDerWaalsContact O-N 3.13Å; V119-T123 PolarHBondContact O-N 3.11Å; V119-T123 PolarHBondContact O-OG1 3.11Å |
| 120 | D | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 177 | -78.5 | -17.1 | 0 | 0 | 0 | 112.2 | Y11 D116 L122 T123 L124 Q139 Y379 | Y11-D120 PolarHBondContact OH-OD1 2.93Å; D116-D120 WeakPolarHBondContact O-CB 3.43Å; D116-D120 PolarHBondContact O-N 3.17Å; D120-L122 VanDerWaalsContact C-N 3.35Å; D120-T123 WeakPolarHBondContact O-CB 3.19Å; D120-T123 PolarHBondContact O-N 3.03Å; D120-L124 WeakPolarHBondContact O-CG 3.48Å; D120-L124 PolarHBondContact O-N 2.86Å; D120-Q139 PolarHBondContact OD1-NE2 3.44Å; D120-Y379 HydrophobicContact CB-CD1 4Å; D120-Y379 HydrophobicContact CB-CE1 4.01Å; D120-Y379 VanDerWaalsContact OD2-CE1 3.27Å; D120-Y379 WeakPolarHBondContact OD2-CE1 3.16Å |
| 121 | S | 90.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 11% | 0.112 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 173.7 | -170.8 | 0 | 0 | 0 | 0 | 111.8 | D60 K65 I117 V119 S125 | D60-S121 VanDerWaalsContact OD1-CB 3.23Å; D60-S121 WeakPolarHBondContact OD1-CB 3.43Å; D60-S121 PolarHBondContact OD1-OG 3.28Å; K65-S121 VanDerWaalsContact CE-OG 3.24Å; K65-S121 WeakPolarHBondContact CE-OG 3.36Å; K65-S121 PolarHBondContact NZ-OG 3.44Å; K65-S121 VanDerWaalsContact NZ-OG 3.1Å; I117-S121 WeakPolarHBondContact O-CB 3.22Å; I117-S121 PolarHBondContact O-N 3.5Å; V119-S121 VanDerWaalsContact C-N 3.33Å; V119-S121 PolarHBondContact O-N 3.36Å; S121-S125 WeakPolarHBondContact O-CB 3.33Å; S121-S125 PolarHBondContact O-N 3.03Å; S121-S125 VanDerWaalsContact O-N 3.16Å; S121-S125 PolarHBondContact O-OG 2.64Å; S121-S125 VanDerWaalsContact O-OG 3.1Å |
| 122 | L | 90.3 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.6 | -42.3 | 171.9 | -74.4 | 169.7 | 0 | 0 | 0 | 111.6 | L10 K65 L69 T118 V119 D120 S125 T126 C190 | L10-L122 HydrophobicContact CD1-CD1 4.5Å; K65-L122 HydrophobicContact CB-CD1 4.26Å; K65-L122 HydrophobicContact CB-CD2 3.86Å; K65-L122 HydrophobicContact CB-CG 4.14Å; K65-L122 HydrophobicContact CG-CD2 3.89Å; K65-L122 HydrophobicContact CG-CG 4.2Å; L69-L122 HydrophobicContact CD1-CD1 3.88Å; T118-L122 WeakPolarHBondContact O-CG 3.4Å; T118-L122 PolarHBondContact O-N 3.42Å; V119-L122 CarbonylContact O-C 3.43Å; V119-L122 WeakPolarHBondContact O-CB 3.33Å; V119-L122 PolarHBondContact O-N 2.88Å; V119-L122 VanDerWaalsContact O-N 3.13Å; D120-L122 VanDerWaalsContact C-N 3.35Å; L122-S125 PolarHBondContact O-N 3.32Å; L122-S125 PolarHBondContact O-OG 3.46Å; L122-T126 WeakPolarHBondContact O-CB 3.23Å; L122-T126 WeakPolarHBondContact O-CG2 3.34Å; L122-T126 PolarHBondContact O-N 3.45Å; L122-T126 VanDerWaalsContact O-N 3.13Å; L122-T126 PolarHBondContact O-OG1 2.82Å; L122-C190 HydrophobicContact CD2-CB 3.95Å |
| 123 | T | 91.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -49.4 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 111.4 | L7 Y11 V119 D120 S125 T126 L127 M363 | L7-T123 HydrophobicContact CD1-CG2 4.26Å; L7-T123 WeakPolarHBondContact CD2-OG1 3.34Å; Y11-T123 PolarHBondContact OH-OG1 3.08Å; V119-T123 PolarHBondContact O-N 3.11Å; V119-T123 PolarHBondContact O-OG1 3.11Å; D120-T123 WeakPolarHBondContact O-CB 3.19Å; D120-T123 PolarHBondContact O-N 3.03Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 2.99Å; T123-T126 PolarHBondContact O-N 2.97Å; T123-T126 PolarHBondContact O-OG1 2.92Å; T123-L127 HydrophobicContact CG2-CD1 3.37Å; T123-L127 HydrophobicContact CG2-CG 3.93Å; T123-L127 WeakPolarHBondContact O-CB 3.22Å; T123-L127 WeakPolarHBondContact O-CG 3.06Å; T123-L127 PolarHBondContact O-N 3.44Å; T123-M363 HydrophobicContact CG2-CE 3.65Å |
| 124 | L | 89.9 | Confident | 91.1 | Very high | 22 Ų | 22 | 28.6 Ų | 28.6 | 12% | 0.115 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -34.9 | 177.8 | -73.6 | 165.9 | 0 | 0 | 0 | 113.1 | D120 M363 T366 A376 Y379 | D120-L124 WeakPolarHBondContact O-CG 3.48Å; D120-L124 PolarHBondContact O-N 2.86Å; L124-M363 HydrophobicContact CD2-CE 3.91Å; L124-M363 HydrophobicContact CD2-CG 3.9Å; L124-M363 HydrophobicContact CD2-SD 4.41Å; L124-M363 HydrophobicContact CG-CE 4.31Å; L124-T366 HydrophobicContact CD2-CG2 4.35Å; L124-A376 HydrophobicContact CD1-CB 4.37Å; L124-Y379 HydrophobicContact CD1-CG 4.08Å |
| 125 | S | 86.2 | Confident | 90.9 | Very high | 54 Ų | 54 | 28.7 Ų | 28.7 | 38% | 0.378 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -83.3 | -15.3 | -176.5 | 68.9 | 0 | 0 | 0 | 0 | 113.9 | S121 L122 T123 | S121-S125 WeakPolarHBondContact O-CB 3.33Å; S121-S125 PolarHBondContact O-N 3.03Å; S121-S125 VanDerWaalsContact O-N 3.16Å; S121-S125 PolarHBondContact O-OG 2.64Å; S121-S125 VanDerWaalsContact O-OG 3.1Å; L122-S125 PolarHBondContact O-N 3.32Å; L122-S125 PolarHBondContact O-OG 3.46Å; T123-S125 VanDerWaalsContact C-N 3.25Å; T123-S125 PolarHBondContact O-N 2.99Å |
| 126 | T | 86.9 | Confident | 90.8 | Very high | 29 Ų | 29 | 28.7 Ų | 28.7 | 18% | 0.178 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -117.7 | -26.7 | -170.3 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | L122 T123 F189 V192 | L122-T126 WeakPolarHBondContact O-CB 3.23Å; L122-T126 WeakPolarHBondContact O-CG2 3.34Å; L122-T126 PolarHBondContact O-N 3.45Å; L122-T126 VanDerWaalsContact O-N 3.13Å; L122-T126 PolarHBondContact O-OG1 2.82Å; T123-T126 PolarHBondContact O-N 2.97Å; T123-T126 PolarHBondContact O-OG1 2.92Å; T126-F189 VanDerWaalsContact CB-CE2 3.49Å; T126-F189 HydrophobicContact CG2-CD2 4.06Å; T126-F189 HydrophobicContact CG2-CE1 4.07Å; T126-F189 HydrophobicContact CG2-CE2 3.39Å; T126-F189 HydrophobicContact CG2-CZ 3.41Å; T126-F189 VanDerWaalsContact CG2-CZ 3.41Å; T126-F189 WeakPolarHBondContact OG1-CZ 3.48Å; T126-V192 HydrophobicContact CG2-CG2 3.85Å |
| 127 | L | 88.8 | Confident | 90.8 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | trans | -74.6 | 131.5 | 177.6 | -68.7 | -177.1 | 0 | 0 | 0 | 111.4 | L4 L7 T123 Q131 M363 | L4-L127 HydrophobicContact CD2-CD2 3.94Å; L7-L127 HydrophobicContact CD1-CD2 4.12Å; L7-L127 HydrophobicContact CD1-CG 4.44Å; T123-L127 HydrophobicContact CG2-CD1 3.37Å; T123-L127 HydrophobicContact CG2-CG 3.93Å; T123-L127 WeakPolarHBondContact O-CB 3.22Å; T123-L127 WeakPolarHBondContact O-CG 3.06Å; T123-L127 PolarHBondContact O-N 3.44Å; L127-Q131 HydrophobicContact CD2-CB 4.13Å; L127-M363 HydrophobicContact CD1-SD 4.13Å | ||
| 128 | A | 86.9 | Confident | 90.9 | Very high | 42 Ų | 42 | 30.1 Ų | 30.1 | 35% | 0.347 | 18% | 0.181 | S | C | . | . | trans | -70.1 | 156.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N130 Q131 I132 | A128-N130 WeakPolarHBondContact CB-OD1 3.2Å; A128-N130 PolarHBondContact O-N 3.14Å; A128-N130 VanDerWaalsContact O-N 3.16Å; A128-Q131 HydrophobicContact CB-CG 4.3Å; A128-Q131 WeakPolarHBondContact O-CA 3.41Å; A128-Q131 WeakPolarHBondContact O-CB 3.3Å; A128-Q131 PolarHBondContact O-N 3.5Å; A128-I132 PolarHBondContact O-N 2.9Å | ||
| 129 | S | 84.5 | Confident | 91 | Very high | 105 Ų | 105 | 30.5 Ų | 30.5 | 73% | 0.734 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -57.5 | -31.7 | -178.9 | 34.9 | 0 | 0 | 0 | 0 | 113.7 | Q131 | S129-Q131 VanDerWaalsContact C-N 3.31Š|
| 130 | N | 87.2 | Confident | 91.1 | Very high | 136 Ų | 136 | 30.8 Ų | 30.8 | 73% | 0.727 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -78.5 | -11 | 174.3 | 67.6 | -27.3 | 0 | 0 | 0 | 114.2 | A128 | A128-N130 WeakPolarHBondContact CB-OD1 3.2Å; A128-N130 PolarHBondContact O-N 3.14Å; A128-N130 VanDerWaalsContact O-N 3.16Å |
| 131 | Q | 90.1 | Very high | 91.3 | Very high | 65 Ų | 65 | 31.7 Ų | 31.7 | 30% | 0.304 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -100.9 | -6.8 | -179 | -67.7 | 175.2 | -26.9 | 0 | 0 | 113 | L127 A128 S129 S133 L134 G135 | L127-Q131 HydrophobicContact CD2-CB 4.13Å; A128-Q131 HydrophobicContact CB-CG 4.3Å; A128-Q131 WeakPolarHBondContact O-CA 3.41Å; A128-Q131 WeakPolarHBondContact O-CB 3.3Å; A128-Q131 PolarHBondContact O-N 3.5Å; S129-Q131 VanDerWaalsContact C-N 3.31Å; Q131-S133 PolarHBondContact O-N 2.88Å; Q131-L134 PolarHBondContact O-N 2.73Å; Q131-L134 VanDerWaalsContact O-N 3.16Å; Q131-G135 PolarHBondContact O-N 3.36Å |
| 132 | I | 89.7 | Confident | 91.7 | Very high | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.3 | -53.5 | -176.9 | -71.7 | 176 | 0 | 0 | 0 | 111.8 | A128 L134 G135 N136 T360 M363 | A128-I132 PolarHBondContact O-N 2.9Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.31Å; I132-G135 PolarHBondContact O-N 3.24Å; I132-N136 PolarHBondContact O-N 2.76Å; I132-N136 PolarHBondContact O-ND2 3.31Å; I132-T360 HydrophobicContact CG2-CG2 4.25Å; I132-M363 HydrophobicContact CB-SD 4.22Å; I132-M363 HydrophobicContact CD1-CG 4.38Å; I132-M363 HydrophobicContact CG1-CG 4.32Å; I132-M363 HydrophobicContact CG1-SD 3.99Å; I132-M363 HydrophobicContact CG2-CB 3.88Å; I132-M363 HydrophobicContact CG2-CG 3.81Å; I132-M363 HydrophobicContact CG2-SD 3.72Å |
| 133 | S | 89.8 | Confident | 92.1 | Very high | 27 Ų | 27 | 33 Ų | 33 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | -178 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | Q131 T137 | Q131-S133 PolarHBondContact O-N 2.88Å; S133-T137 PolarHBondContact O-N 3.44Å; S133-T137 PolarHBondContact O-OG1 3.23Å |
| 134 | L | 92.6 | Very high | 92.3 | Very high | 58 Ų | 58 | 34 Ų | 34 | 30% | 0.304 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -68.5 | -42.3 | 177.6 | -179.6 | 62.9 | 0 | 0 | 0 | 111.3 | L4 Q131 I132 T137 I138 Y293 | L4-L134 HydrophobicContact CD1-CD2 3.59Å; L4-L134 HydrophobicContact CD1-CG 4.21Å; Q131-L134 PolarHBondContact O-N 2.73Å; Q131-L134 VanDerWaalsContact O-N 3.16Å; I132-L134 VanDerWaalsContact C-N 3.34Å; I132-L134 PolarHBondContact O-N 3.31Å; L134-T137 WeakPolarHBondContact O-CB 3.32Å; L134-T137 PolarHBondContact O-N 3.1Å; L134-I138 HydrophobicContact CD1-CD1 4.49Å; L134-I138 HydrophobicContact CG-CD1 4.34Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.34Å; L134-Y293 HydrophobicContact CB-CE2 4.12Å |
| 135 | G | 93.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q131 I132 T137 I138 Q139 | Q131-G135 PolarHBondContact O-N 3.36Å; I132-G135 PolarHBondContact O-N 3.24Å; G135-T137 VanDerWaalsContact C-N 3.29Å; G135-T137 PolarHBondContact O-N 3.13Å; G135-I138 PolarHBondContact O-N 3.49Å; G135-I138 VanDerWaalsContact O-N 3.16Å; G135-Q139 PolarHBondContact O-N 3.01Å |
| 136 | N | 94.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.8 | -34.2 | 174 | -75.5 | -67 | 0 | 0 | 0 | 112.4 | I132 Q139 V140 F359 | I132-N136 PolarHBondContact O-N 2.76Å; I132-N136 PolarHBondContact O-ND2 3.31Å; N136-Q139 PolarHBondContact O-N 2.89Å; N136-V140 WeakPolarHBondContact O-CG2 3.45Å; N136-V140 PolarHBondContact O-N 3.23Å; N136-F359 HydrophobicContact CB-CB 4.24Å |
| 137 | T | 95.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.9 | -46.1 | 173 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | S133 L134 G135 Q139 V140 V141 Y293 T356 | S133-T137 PolarHBondContact O-N 3.44Å; S133-T137 PolarHBondContact O-OG1 3.23Å; L134-T137 WeakPolarHBondContact O-CB 3.32Å; L134-T137 PolarHBondContact O-N 3.1Å; G135-T137 VanDerWaalsContact C-N 3.29Å; G135-T137 PolarHBondContact O-N 3.13Å; T137-Q139 VanDerWaalsContact C-N 3.34Å; T137-Q139 PolarHBondContact O-N 3.48Å; T137-V140 PolarHBondContact O-N 3.34Å; T137-V141 HydrophobicContact CG2-CG2 4.34Å; T137-V141 WeakPolarHBondContact O-CB 3.29Å; T137-V141 VanDerWaalsContact O-CG2 3.25Å; T137-V141 WeakPolarHBondContact O-CG2 3.44Å; T137-V141 PolarHBondContact O-N 3.33Å; T137-Y293 WeakPolarHBondContact OG1-CB 3.34Å; T137-T356 WeakPolarHBondContact OG1-CG2 3.39Å |
| 138 | I | 96.4 | Very high | 94.3 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 16% | 0.164 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.1 | -38.9 | 178.5 | -73.7 | 179.2 | 0 | 0 | 0 | 111.9 | L4 F8 L134 G135 V141 G142 | L4-I138 HydrophobicContact CB-CD1 3.59Å; L4-I138 HydrophobicContact CD1-CD1 3.95Å; L4-I138 HydrophobicContact CD2-CD1 4.03Å; L4-I138 HydrophobicContact CG-CD1 4.04Å; F8-I138 HydrophobicContact CB-CG2 3.71Å; F8-I138 HydrophobicContact CD2-CG2 4.25Å; L134-I138 HydrophobicContact CD1-CD1 4.49Å; L134-I138 HydrophobicContact CG-CD1 4.34Å; L134-I138 WeakPolarHBondContact O-CG1 3.34Å; L134-I138 PolarHBondContact O-N 3.34Å; G135-I138 PolarHBondContact O-N 3.49Å; G135-I138 VanDerWaalsContact O-N 3.16Å; I138-V141 PolarHBondContact O-N 3.05Å; I138-G142 PolarHBondContact O-N 2.84Å |
| 139 | Q | 96.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55 | -56.5 | 172.3 | 169.2 | 167.3 | 16.5 | 0 | 0 | 111 | Y11 D120 G135 N136 T137 V141 G142 Y143 | Y11-Q139 HydrophobicContact CD1-CB 4.29Å; Y11-Q139 HydrophobicContact CD1-CG 3.69Å; Y11-Q139 VanDerWaalsContact CD2-CA 3.44Å; Y11-Q139 HydrophobicContact CD2-CB 3.7Å; Y11-Q139 HydrophobicContact CD2-CG 4.03Å; Y11-Q139 HydrophobicContact CE1-CB 4.18Å; Y11-Q139 VanDerWaalsContact CE1-CD 3.49Å; Y11-Q139 HydrophobicContact CE1-CG 3.47Å; Y11-Q139 VanDerWaalsContact CE1-CG 3.47Å; Y11-Q139 VanDerWaalsContact CE1-NE2 3.33Å; Y11-Q139 HydrophobicContact CE2-CB 3.54Å; Y11-Q139 HydrophobicContact CE2-CG 3.81Å; Y11-Q139 HydrophobicContact CG-CB 4.08Å; Y11-Q139 HydrophobicContact CG-CG 3.98Å; Y11-Q139 PolarHBondContact OH-NE2 2.87Å; Y11-Q139 PolarHBondContact OH-OE1 3.02Å; D120-Q139 PolarHBondContact OD1-NE2 3.44Å; G135-Q139 PolarHBondContact O-N 3.01Å; N136-Q139 PolarHBondContact O-N 2.89Å; T137-Q139 VanDerWaalsContact C-N 3.34Å; T137-Q139 PolarHBondContact O-N 3.48Å; Q139-V141 PolarHBondContact O-N 3.28Å; Q139-G142 PolarHBondContact O-N 3.19Å; Q139-Y143 VanDerWaalsContact O-CB 3.24Å; Q139-Y143 WeakPolarHBondContact O-CB 3.41Å; Q139-Y143 PolarHBondContact O-N 2.97Å |
| 140 | V | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 26 Ų | 26 | 3% | 0.03 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.6 | -44.8 | -177.9 | 179.9 | 0 | 0 | 0 | 0 | 110.9 | N136 T137 Y143 K144 S289 T355 F359 | N136-V140 WeakPolarHBondContact O-CG2 3.45Å; N136-V140 PolarHBondContact O-N 3.23Å; T137-V140 PolarHBondContact O-N 3.34Å; V140-Y143 PolarHBondContact O-N 3.09Å; V140-K144 HydrophobicContact CG1-CG 4.13Å; V140-K144 WeakPolarHBondContact O-CB 3.41Å; V140-K144 WeakPolarHBondContact O-CG 3.2Å; V140-K144 PolarHBondContact O-N 3.2Å; V140-S289 WeakPolarHBondContact CG1-OG 3.2Å; V140-T355 HydrophobicContact CG1-CG2 4.42Å; V140-T355 HydrophobicContact CG2-CG2 4.12Å; V140-F359 HydrophobicContact CG2-CD2 3.53Å; V140-F359 HydrophobicContact CG2-CE2 3.85Å |
| 141 | V | 98 | Very high | 95.9 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 14% | 0.139 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | -179.2 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | F8 T137 I138 Q139 K144 C145 I286 | F8-V141 HydrophobicContact CE2-CG1 4.09Å; T137-V141 HydrophobicContact CG2-CG2 4.34Å; T137-V141 WeakPolarHBondContact O-CB 3.29Å; T137-V141 VanDerWaalsContact O-CG2 3.25Å; T137-V141 WeakPolarHBondContact O-CG2 3.44Å; T137-V141 PolarHBondContact O-N 3.33Å; I138-V141 PolarHBondContact O-N 3.05Å; Q139-V141 PolarHBondContact O-N 3.28Å; V141-K144 PolarHBondContact O-N 3.18Å; V141-C145 PolarHBondContact O-N 3.3Å; V141-C145 PolarHBondContact O-SG 3.11Å; V141-C145 VanDerWaalsContact O-SG 3.41Å; V141-I286 HydrophobicContact CG1-CG1 4.39Å; V141-I286 HydrophobicContact CG1-CG2 3.89Å; V141-I286 HydrophobicContact CG2-CG2 4.3Å |
| 142 | G | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.5 | -54.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L12 I138 Q139 K144 C145 G146 | L12-G142 VanDerWaalsContact CA-O 3.24Å; L12-G142 WeakPolarHBondContact CA-O 3.25Å; I138-G142 PolarHBondContact O-N 2.84Å; Q139-G142 PolarHBondContact O-N 3.19Å; G142-K144 VanDerWaalsContact C-N 3.26Å; G142-K144 PolarHBondContact O-N 3.14Å; G142-C145 WeakPolarHBondContact O-CB 3.44Å; G142-C145 PolarHBondContact O-N 2.87Å; G142-C145 VanDerWaalsContact O-N 3.08Å; G142-G146 PolarHBondContact O-N 3.2Å |
| 143 | Y | 98.2 | Very high | 96.4 | Very high | 46 Ų | 46 | 20 Ų | 20 | 18% | 0.18 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -53.4 | -42 | 176.3 | -173 | -85.1 | 0 | 0 | 0 | 112.8 | Y11 E14 G15 Y18 Q139 V140 G146 A147 | Y11-Y143 VanDerWaalsContact O-CA 3.23Å; Y11-Y143 WeakPolarHBondContact O-CA 3.1Å; Y11-Y143 PolarHBondContact O-N 3.1Å; E14-Y143 HydrophobicContact CB-CD2 4.46Å; E14-Y143 HydrophobicContact CG-CD2 4.25Å; E14-Y143 HydrophobicContact CG-CE2 4.28Å; E14-Y143 WeakPolarHBondContact OE1-CD2 3.36Å; G15-Y143 VanDerWaalsContact CA-O 3.25Å; G15-Y143 WeakPolarHBondContact CA-O 3.28Å; Y18-Y143 WeakPolarHBondContact CB-OH 3.39Å; Y18-Y143 AromaticContact CD1-CE1 3.64Å; Y18-Y143 HydrophobicContact CD1-CE1 3.64Å; Y18-Y143 HydrophobicContact CD2-CE1 4.39Å; Y18-Y143 VanDerWaalsContact CD2-OH 3.24Å; Y18-Y143 WeakPolarHBondContact CD2-OH 3.35Å; Y18-Y143 HydrophobicContact CE1-CE1 4.24Å; Y18-Y143 AromaticContact CG-CE1 3.74Å; Y18-Y143 HydrophobicContact CG-CE1 3.74Å; Y18-Y143 AromaticContact CG-CZ 3.68Å; Q139-Y143 VanDerWaalsContact O-CB 3.24Å; Q139-Y143 WeakPolarHBondContact O-CB 3.41Å; Q139-Y143 PolarHBondContact O-N 2.97Å; V140-Y143 PolarHBondContact O-N 3.09Å; Y143-G146 PolarHBondContact O-N 3.18Å; Y143-A147 WeakPolarHBondContact O-CB 3.24Å; Y143-A147 PolarHBondContact O-N 3.33Å |
| 144 | K | 97.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 18.9 Ų | 18.9 | 9% | 0.087 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.7 | -36.2 | 179.2 | -67.8 | -74.1 | -176.7 | 173.7 | 0 | 112.7 | V140 V141 G142 G146 A147 I148 S285 I286 | V140-K144 HydrophobicContact CG1-CG 4.13Å; V140-K144 WeakPolarHBondContact O-CB 3.41Å; V140-K144 WeakPolarHBondContact O-CG 3.2Å; V140-K144 PolarHBondContact O-N 3.2Å; V141-K144 PolarHBondContact O-N 3.18Å; G142-K144 VanDerWaalsContact C-N 3.26Å; G142-K144 PolarHBondContact O-N 3.14Å; K144-G146 VanDerWaalsContact C-N 3.34Å; K144-A147 PolarHBondContact O-N 3.21Å; K144-I148 WeakPolarHBondContact O-CG1 3.05Å; K144-I148 PolarHBondContact O-N 3.15Å; K144-S285 VanDerWaalsContact CE-OG 3.25Å; K144-S285 WeakPolarHBondContact CE-OG 3.38Å; K144-S285 PolarHBondContact NZ-OG 2.92Å; K144-I286 HydrophobicContact CB-CD1 4.02Å; K144-I286 HydrophobicContact CB-CG1 3.59Å; K144-I286 HydrophobicContact CG-CG1 4.47Å |
| 145 | C | 98.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 16.1 Ų | 16.1 | 23% | 0.23 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 170.3 | -71 | 0 | 0 | 0 | 0 | 111.4 | F8 L12 V141 G142 A147 I148 I149 | F8-C145 HydrophobicContact CZ-CB 4.49Å; L12-C145 HydrophobicContact CD1-CB 4.09Å; L12-C145 HydrophobicContact CG-CB 4.36Å; V141-C145 PolarHBondContact O-N 3.3Å; V141-C145 PolarHBondContact O-SG 3.11Å; V141-C145 VanDerWaalsContact O-SG 3.41Å; G142-C145 WeakPolarHBondContact O-CB 3.44Å; G142-C145 PolarHBondContact O-N 2.87Å; G142-C145 VanDerWaalsContact O-N 3.08Å; C145-A147 VanDerWaalsContact C-N 3.33Å; C145-A147 PolarHBondContact O-N 3.31Å; C145-I148 WeakPolarHBondContact O-CB 3.33Å; C145-I148 PolarHBondContact O-N 3.08Å; C145-I149 WeakPolarHBondContact O-CG1 3.42Å; C145-I149 PolarHBondContact O-N 3.1Å; C145-I149 VanDerWaalsContact O-N 3.14Å |
| 146 | G | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.4 | -44.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 G15 I16 G142 Y143 K144 I148 I149 G150 | L12-G146 WeakPolarHBondContact O-CA 3.1Å; G15-G146 VanDerWaalsContact C-C 3.46Å; G15-G146 CarbonylContact O-C 3.56Å; I16-G146 WeakPolarHBondContact CA-O 3.45Å; G142-G146 PolarHBondContact O-N 3.2Å; Y143-G146 PolarHBondContact O-N 3.18Å; K144-G146 VanDerWaalsContact C-N 3.34Å; G146-I148 VanDerWaalsContact C-N 3.29Å; G146-I148 PolarHBondContact O-N 3.39Å; G146-I149 PolarHBondContact O-N 3.11Å; G146-I149 VanDerWaalsContact O-N 3.14Å; G146-G150 PolarHBondContact O-N 2.65Å |
| 147 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.6 | -29 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G15 Y18 Y143 K144 C145 G151 | G15-A147 VanDerWaalsContact O-CA 3.3Å; G15-A147 WeakPolarHBondContact O-CA 3.37Å; G15-A147 PolarHBondContact O-N 2.87Å; Y18-A147 HydrophobicContact CD1-CB 3.75Å; Y18-A147 HydrophobicContact CE1-CB 4.22Å; Y143-A147 WeakPolarHBondContact O-CB 3.24Å; Y143-A147 PolarHBondContact O-N 3.33Å; K144-A147 PolarHBondContact O-N 3.21Å; C145-A147 VanDerWaalsContact C-N 3.33Å; C145-A147 PolarHBondContact O-N 3.31Å; A147-G151 VanDerWaalsContact O-CA 3.28Å; A147-G151 WeakPolarHBondContact O-CA 3.43Å; A147-G151 PolarHBondContact O-N 2.95Å |
| 148 | I | 98.1 | Very high | 97 | Very high | 20 Ų | 20 | 22.6 Ų | 22.6 | 10% | 0.103 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -64.2 | -54.8 | 169.3 | -70.9 | 165.4 | 0 | 0 | 0 | 109.1 | K144 C145 G146 G150 G151 F153 V279 Q282 L283 I286 | K144-I148 WeakPolarHBondContact O-CG1 3.05Å; K144-I148 PolarHBondContact O-N 3.15Å; C145-I148 WeakPolarHBondContact O-CB 3.33Å; C145-I148 PolarHBondContact O-N 3.08Å; G146-I148 VanDerWaalsContact C-N 3.29Å; G146-I148 PolarHBondContact O-N 3.39Å; I148-G150 PolarHBondContact O-N 3.31Å; I148-G151 PolarHBondContact O-N 3.45Å; I148-F153 HydrophobicContact CG2-CB 4.2Å; I148-F153 WeakPolarHBondContact O-CB 3.47Å; I148-F153 PolarHBondContact O-N 2.8Å; I148-F153 VanDerWaalsContact O-N 3.08Å; I148-V279 HydrophobicContact CG2-CG1 4.16Å; I148-V279 HydrophobicContact CG2-CG2 4.42Å; I148-Q282 HydrophobicContact CD1-CB 3.79Å; I148-Q282 HydrophobicContact CG1-CB 3.32Å; I148-Q282 HydrophobicContact CG1-CG 4.06Å; I148-L283 HydrophobicContact CD1-CD2 3.99Å; I148-L283 HydrophobicContact CD1-CG 4.09Å; I148-I286 HydrophobicContact CD1-CD1 3.82Å |
| 149 | I | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 23.7 Ų | 23.7 | 27% | 0.267 | 12% | 0.124 | S | C | . | . | I | π-helix | trans | -55.6 | -54.7 | -176.1 | -67.6 | 166.1 | 0 | 0 | 0 | 110.2 | L12 I16 C145 G146 L154 L173 | L12-I149 HydrophobicContact CD2-CD1 4.06Å; L12-I149 HydrophobicContact CG-CD1 4.47Å; I16-I149 HydrophobicContact CG1-CG2 4.48Å; C145-I149 WeakPolarHBondContact O-CG1 3.42Å; C145-I149 PolarHBondContact O-N 3.1Å; C145-I149 VanDerWaalsContact O-N 3.14Å; G146-I149 PolarHBondContact O-N 3.11Å; G146-I149 VanDerWaalsContact O-N 3.14Å; I149-L154 VanDerWaalsContact O-CG 3.27Å; I149-L154 WeakPolarHBondContact O-CG 3.4Å; I149-L173 HydrophobicContact CG2-CD1 3.72Å |
| 150 | G | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -79.5 | -11.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115 | G19 V20 F24 G146 I148 L154 | G19-G150 VanDerWaalsContact C-C 3.48Å; G19-G150 CarbonylContact C-O 3.59Å; V20-G150 WeakPolarHBondContact CA-O 3.35Å; V20-G150 WeakPolarHBondContact CG2-O 3.39Å; V20-G150 PolarHBondContact N-O 2.95Å; F24-G150 WeakPolarHBondContact CB-O 3.03Å; G146-G150 PolarHBondContact O-N 2.65Å; I148-G150 PolarHBondContact O-N 3.31Å; G150-L154 WeakPolarHBondContact O-CD1 3.42Å |
| 151 | G | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -112.6 | -101.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G19 A147 I148 F153 L154 A155 | G19-G151 VanDerWaalsContact C-CA 3.46Å; G19-G151 WeakPolarHBondContact O-CA 2.99Å; A147-G151 VanDerWaalsContact O-CA 3.28Å; A147-G151 WeakPolarHBondContact O-CA 3.43Å; A147-G151 PolarHBondContact O-N 2.95Å; I148-G151 PolarHBondContact O-N 3.45Å; G151-F153 VanDerWaalsContact C-N 3.27Å; G151-F153 PolarHBondContact O-N 2.96Å; G151-L154 PolarHBondContact O-N 2.78Å; G151-A155 PolarHBondContact O-N 3.31Å |
| 152 | G | 93.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -59.5 | -37.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A155 W156 G274 | G152-A155 PolarHBondContact O-N 3.26Å; G152-W156 WeakPolarHBondContact O-CB 3.4Å; G152-W156 PolarHBondContact O-N 2.9Å; G152-G274 WeakPolarHBondContact CA-O 3.33Å |
| 153 | F | 97.1 | Very high | 96.2 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -67.2 | -45 | 178.6 | -175.7 | -111.3 | 0 | 0 | 0 | 111.4 | I148 G151 A155 W156 L157 V279 | I148-F153 HydrophobicContact CG2-CB 4.2Å; I148-F153 WeakPolarHBondContact O-CB 3.47Å; I148-F153 PolarHBondContact O-N 2.8Å; I148-F153 VanDerWaalsContact O-N 3.08Å; G151-F153 VanDerWaalsContact C-N 3.27Å; G151-F153 PolarHBondContact O-N 2.96Å; F153-A155 VanDerWaalsContact C-N 3.35Å; F153-A155 PolarHBondContact O-N 3.29Å; F153-W156 AromaticContact CD2-CE3 3.86Å; F153-W156 HydrophobicContact CD2-CE3 3.86Å; F153-W156 HydrophobicContact CD2-CZ3 4.12Å; F153-W156 AromaticContact CE2-CE3 3.73Å; F153-W156 HydrophobicContact CE2-CE3 3.73Å; F153-W156 AromaticContact CE2-CZ3 3.51Å; F153-W156 HydrophobicContact CE2-CZ3 3.51Å; F153-W156 HydrophobicContact CZ-CZ3 4.22Å; F153-W156 PolarHBondContact O-N 3.44Å; F153-L157 HydrophobicContact CE1-CD2 4.14Å; F153-L157 HydrophobicContact CZ-CD2 4.44Å; F153-L157 VanDerWaalsContact O-CB 3.27Å; F153-L157 WeakPolarHBondContact O-CB 3.43Å; F153-L157 PolarHBondContact O-N 2.89Å; F153-V279 HydrophobicContact CB-CG2 4.14Å |
| 154 | L | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -42.4 | 172.6 | -72.4 | -166.1 | 0 | 0 | 0 | 112.5 | V20 F24 I149 G150 G151 W156 L157 S158 L166 L170 | V20-L154 HydrophobicContact CG2-CD1 4.37Å; F24-L154 HydrophobicContact CB-CB 4.36Å; F24-L154 HydrophobicContact CD1-CB 4.4Å; F24-L154 HydrophobicContact CD1-CD1 4.09Å; F24-L154 HydrophobicContact CD2-CB 3.59Å; F24-L154 HydrophobicContact CE1-CD1 4.28Å; F24-L154 HydrophobicContact CE2-CB 3.88Å; F24-L154 HydrophobicContact CG-CB 3.87Å; F24-L154 HydrophobicContact CG-CD1 4.31Å; F24-L154 HydrophobicContact CZ-CB 4.41Å; I149-L154 VanDerWaalsContact O-CG 3.27Å; I149-L154 WeakPolarHBondContact O-CG 3.4Å; G150-L154 WeakPolarHBondContact O-CD1 3.42Å; G151-L154 PolarHBondContact O-N 2.78Å; L154-W156 VanDerWaalsContact C-N 3.31Å; L154-W156 PolarHBondContact O-N 3.32Å; L154-L157 PolarHBondContact O-N 3.37Å; L154-S158 WeakPolarHBondContact O-CB 3.42Å; L154-S158 PolarHBondContact O-N 3.08Å; L154-S158 PolarHBondContact O-OG 3.45Å; L154-L166 HydrophobicContact CB-CD1 4.44Å; L154-L166 HydrophobicContact CD2-CB 4.11Å; L154-L166 HydrophobicContact CD2-CD1 4.38Å; L154-L166 HydrophobicContact CD2-CD2 4.15Å; L154-L166 HydrophobicContact CD2-CG 4.45Å; L154-L170 HydrophobicContact CD1-CD1 3.85Å; L154-L170 HydrophobicContact CD1-CD2 4.11Å; L154-L170 HydrophobicContact CD1-CG 4.13Å |
| 155 | A | 95.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -33.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F24 L27 G151 G152 F153 S158 | F24-A155 HydrophobicContact CD2-CB 4.07Å; L27-A155 HydrophobicContact CD1-CB 4Å; G151-A155 PolarHBondContact O-N 3.31Å; G152-A155 PolarHBondContact O-N 3.26Å; F153-A155 VanDerWaalsContact C-N 3.35Å; F153-A155 PolarHBondContact O-N 3.29Å; A155-S158 PolarHBondContact O-OG 3.44Å |
| 156 | W | 95.5 | Very high | 95.8 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.8 | -45.8 | 171.6 | 170.3 | 76.6 | 0 | 0 | 0 | 111.3 | G152 F153 L154 S158 A159 F160 F275 | G152-W156 WeakPolarHBondContact O-CB 3.4Å; G152-W156 PolarHBondContact O-N 2.9Å; F153-W156 AromaticContact CD2-CE3 3.86Å; F153-W156 HydrophobicContact CD2-CE3 3.86Å; F153-W156 HydrophobicContact CD2-CZ3 4.12Å; F153-W156 AromaticContact CE2-CE3 3.73Å; F153-W156 HydrophobicContact CE2-CE3 3.73Å; F153-W156 AromaticContact CE2-CZ3 3.51Å; F153-W156 HydrophobicContact CE2-CZ3 3.51Å; F153-W156 HydrophobicContact CZ-CZ3 4.22Å; F153-W156 PolarHBondContact O-N 3.44Å; L154-W156 VanDerWaalsContact C-N 3.31Å; L154-W156 PolarHBondContact O-N 3.32Å; W156-S158 VanDerWaalsContact C-N 3.29Å; W156-S158 PolarHBondContact O-N 2.95Å; W156-A159 WeakPolarHBondContact O-CB 3.3Å; W156-A159 PolarHBondContact O-N 3.09Å; W156-F160 HydrophobicContact CD2-CE2 4.38Å; W156-F160 AromaticContact CE2-CE2 3.79Å; W156-F160 HydrophobicContact CZ2-CE2 4.01Å; W156-F160 AromaticContact NE1-CE2 3.76Å; W156-F275 HydrophobicContact CB-CB 4.38Å; W156-F275 HydrophobicContact CG-CB 4.33Å; W156-F275 HydrophobicContact CG-CD2 4.25Å |
| 157 | L | 96 | Very high | 95.8 | Very high | 40 Ų | 40 | 40.9 Ų | 40.9 | 21% | 0.209 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -27.8 | -178 | -167.4 | 60.3 | 0 | 0 | 0 | 112.6 | F153 L154 A159 F160 V161 L166 | F153-L157 HydrophobicContact CE1-CD2 4.14Å; F153-L157 HydrophobicContact CZ-CD2 4.44Å; F153-L157 VanDerWaalsContact O-CB 3.27Å; F153-L157 WeakPolarHBondContact O-CB 3.43Å; F153-L157 PolarHBondContact O-N 2.89Å; L154-L157 PolarHBondContact O-N 3.37Å; L157-A159 PolarHBondContact O-N 3.44Å; L157-F160 PolarHBondContact O-N 3Å; L157-V161 HydrophobicContact CD1-CG2 3.74Å; L157-V161 HydrophobicContact CD2-CG2 4.47Å; L157-V161 HydrophobicContact CG-CB 4.16Å; L157-V161 HydrophobicContact CG-CG2 3.83Å; L157-V161 PolarHBondContact O-N 3.43Å; L157-L166 HydrophobicContact CB-CD2 4.22Å; L157-L166 HydrophobicContact CD2-CD2 3.6Å; L157-L166 HydrophobicContact CG-CD2 3.82Å |
| 158 | S | 95.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -8.7 | 176.3 | 65.6 | 0 | 0 | 0 | 0 | 114.3 | L154 A155 W156 F160 V161 | L154-S158 WeakPolarHBondContact O-CB 3.42Å; L154-S158 PolarHBondContact O-N 3.08Å; L154-S158 PolarHBondContact O-OG 3.45Å; A155-S158 PolarHBondContact O-OG 3.44Å; W156-S158 VanDerWaalsContact C-N 3.29Å; W156-S158 PolarHBondContact O-N 2.95Å; S158-F160 VanDerWaalsContact C-N 3.33Å; S158-V161 WeakPolarHBondContact CA-O 3.29Å |
| 159 | A | 93.4 | Very high | 95.7 | Very high | 55 Ų | 55 | 45.3 Ų | 45.3 | 46% | 0.455 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | W156 L157 | W156-A159 WeakPolarHBondContact O-CB 3.3Å; W156-A159 PolarHBondContact O-N 3.09Å; L157-A159 PolarHBondContact O-N 3.44Å |
| 160 | F | 94.7 | Very high | 95.7 | Very high | 142 Ų | 142 | 42.9 Ų | 42.9 | 62% | 0.623 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | -22.6 | -175.3 | -50.4 | -73 | 0 | 0 | 0 | 113.1 | W156 L157 S158 | W156-F160 HydrophobicContact CD2-CE2 4.38Å; W156-F160 AromaticContact CE2-CE2 3.79Å; W156-F160 HydrophobicContact CZ2-CE2 4.01Å; W156-F160 AromaticContact NE1-CE2 3.76Å; L157-F160 PolarHBondContact O-N 3Å; S158-F160 VanDerWaalsContact C-N 3.33Å |
| 161 | V | 95 | Very high | 95.7 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -126.8 | 138.8 | -175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | L157 S158 L166 | L157-V161 HydrophobicContact CD1-CG2 3.74Å; L157-V161 HydrophobicContact CD2-CG2 4.47Å; L157-V161 HydrophobicContact CG-CB 4.16Å; L157-V161 HydrophobicContact CG-CG2 3.83Å; L157-V161 PolarHBondContact O-N 3.43Å; S158-V161 WeakPolarHBondContact CA-O 3.29Å; V161-L166 HydrophobicContact CB-CD2 4.04Å; V161-L166 HydrophobicContact CG1-CD2 3.87Å; V161-L166 HydrophobicContact CG1-CG 4.46Å |
| 162 | E | 93.7 | Very high | 95.8 | Very high | 129 Ų | 129 | 47 Ų | 47 | 60% | 0.603 | 24% | 0.242 | S | C | * | . | trans | -61.2 | 141.8 | 175.6 | -58.6 | 175.9 | -152.8 | 0 | 0 | 111.4 | S164 Y165 L166 | E162-S164 WeakPolarHBondContact CB-OG 3.25Å; E162-S164 PolarHBondContact O-N 3.36Å; E162-S164 VanDerWaalsContact O-N 3.15Å; E162-S164 PolarHBondContact OE2-OG 2.82Å; E162-Y165 HydrophobicContact CB-CD2 3.85Å; E162-Y165 HydrophobicContact CB-CE2 4.27Å; E162-Y165 HydrophobicContact CG-CD2 4.4Å; E162-Y165 HydrophobicContact CG-CE2 4.42Å; E162-Y165 PolarHBondContact O-N 3.45Å; E162-Y165 VanDerWaalsContact O-N 3.09Å; E162-L166 PolarHBondContact O-N 3.26Å | ||
| 163 | I | 93.7 | Very high | 96.1 | Very high | 26 Ų | 26 | 49.5 Ų | 49.5 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.9 | -32.3 | -177.6 | -69.9 | 168.3 | 0 | 0 | 0 | 111.7 | F24 I28 L90 V91 L166 F167 | F24-I163 HydrophobicContact CZ-CG1 4.38Å; F24-I163 HydrophobicContact CZ-CG2 4.25Å; I28-I163 HydrophobicContact CD1-CD1 4.1Å; I28-I163 HydrophobicContact CG2-CD1 4.19Å; L90-I163 HydrophobicContact CD2-CG2 4.36Å; V91-I163 HydrophobicContact CG2-CD1 3.65Å; I163-L166 WeakPolarHBondContact O-CB 2.95Å; I163-L166 PolarHBondContact O-N 3.44Å; I163-F167 HydrophobicContact CG2-CD2 3.98Å; I163-F167 HydrophobicContact CG2-CE2 3.45Å; I163-F167 VanDerWaalsContact CG2-CE2 3.45Å; I163-F167 HydrophobicContact CG2-CZ 4.22Å; I163-F167 WeakPolarHBondContact O-CD2 3.4Å; I163-F167 PolarHBondContact O-N 3.38Å |
| 164 | S | 94 | Very high | 96.1 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 9% | 0.091 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.7 | -55.7 | 173.5 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | F84 S87 E162 L166 F167 I168 | F84-S164 VanDerWaalsContact CD2-O 3.23Å; F84-S164 WeakPolarHBondContact CD2-O 3.25Å; S87-S164 VanDerWaalsContact OG-CB 3.27Å; S87-S164 WeakPolarHBondContact OG-CB 3.49Å; E162-S164 WeakPolarHBondContact CB-OG 3.25Å; E162-S164 PolarHBondContact O-N 3.36Å; E162-S164 VanDerWaalsContact O-N 3.15Å; E162-S164 PolarHBondContact OE2-OG 2.82Å; S164-L166 VanDerWaalsContact C-N 3.25Å; S164-L166 PolarHBondContact O-N 3.24Å; S164-F167 PolarHBondContact O-N 3.46Å; S164-F167 VanDerWaalsContact O-N 3.1Å; S164-I168 PolarHBondContact O-N 3.48Å |
| 165 | Y | 95.3 | Very high | 96.2 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 52% | 0.522 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.5 | -27.6 | 179.2 | -63.1 | -65.2 | 0 | 0 | 0 | 113.3 | E162 I168 S169 | E162-Y165 HydrophobicContact CB-CD2 3.85Å; E162-Y165 HydrophobicContact CB-CE2 4.27Å; E162-Y165 HydrophobicContact CG-CD2 4.4Å; E162-Y165 HydrophobicContact CG-CE2 4.42Å; E162-Y165 PolarHBondContact O-N 3.45Å; E162-Y165 VanDerWaalsContact O-N 3.09Å; Y165-I168 HydrophobicContact CD1-CD1 4Å; Y165-I168 PolarHBondContact O-N 3.21Å; Y165-S169 PolarHBondContact O-N 3.3Å |
| 166 | L | 96.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 173.4 | -57.7 | -174.2 | 0 | 0 | 0 | 111.4 | F24 L154 L157 V161 E162 I163 S164 S169 L170 | F24-L166 HydrophobicContact CE2-CD1 4.09Å; F24-L166 HydrophobicContact CZ-CD1 3.94Å; L154-L166 HydrophobicContact CB-CD1 4.44Å; L154-L166 HydrophobicContact CD2-CB 4.11Å; L154-L166 HydrophobicContact CD2-CD1 4.38Å; L154-L166 HydrophobicContact CD2-CD2 4.15Å; L154-L166 HydrophobicContact CD2-CG 4.45Å; L157-L166 HydrophobicContact CB-CD2 4.22Å; L157-L166 HydrophobicContact CD2-CD2 3.6Å; L157-L166 HydrophobicContact CG-CD2 3.82Å; V161-L166 HydrophobicContact CB-CD2 4.04Å; V161-L166 HydrophobicContact CG1-CD2 3.87Å; V161-L166 HydrophobicContact CG1-CG 4.46Å; E162-L166 PolarHBondContact O-N 3.26Å; I163-L166 WeakPolarHBondContact O-CB 2.95Å; I163-L166 PolarHBondContact O-N 3.44Å; S164-L166 VanDerWaalsContact C-N 3.25Å; S164-L166 PolarHBondContact O-N 3.24Å; L166-S169 WeakPolarHBondContact O-CB 3.29Å; L166-S169 PolarHBondContact O-N 2.96Å; L166-S169 PolarHBondContact O-OG 2.99Å; L166-L170 PolarHBondContact O-N 3.32Å; L166-L170 VanDerWaalsContact O-N 3.17Å |
| 167 | F | 97 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -31.6 | 176.1 | -69.2 | -56.1 | 0 | 0 | 0 | 113.3 | F24 L25 L83 F84 L90 I163 S164 S169 L170 S171 | F24-F167 HydrophobicContact CE1-CE1 4.25Å; F24-F167 HydrophobicContact CE1-CZ 4.06Å; L25-F167 HydrophobicContact CD2-CZ 4.37Å; L83-F167 HydrophobicContact CB-CD1 3.86Å; L83-F167 HydrophobicContact CB-CD2 3.95Å; L83-F167 HydrophobicContact CB-CE1 3.94Å; L83-F167 HydrophobicContact CB-CE2 4.01Å; L83-F167 HydrophobicContact CB-CG 3.88Å; L83-F167 HydrophobicContact CB-CZ 4.01Å; L83-F167 HydrophobicContact CD1-CD1 4.16Å; L83-F167 HydrophobicContact CD1-CE1 3.8Å; L83-F167 HydrophobicContact CD1-CZ 4.3Å; L83-F167 HydrophobicContact CG-CE1 4.43Å; L83-F167 WeakPolarHBondContact O-CD2 3.19Å; F84-F167 HydrophobicContact CB-CB 3.91Å; L90-F167 HydrophobicContact CD2-CE2 3.69Å; L90-F167 HydrophobicContact CD2-CZ 3.78Å; I163-F167 HydrophobicContact CG2-CD2 3.98Å; I163-F167 HydrophobicContact CG2-CE2 3.45Å; I163-F167 VanDerWaalsContact CG2-CE2 3.45Å; I163-F167 HydrophobicContact CG2-CZ 4.22Å; I163-F167 WeakPolarHBondContact O-CD2 3.4Å; I163-F167 PolarHBondContact O-N 3.38Å; S164-F167 PolarHBondContact O-N 3.46Å; S164-F167 VanDerWaalsContact O-N 3.1Å; F167-S169 VanDerWaalsContact C-N 3.33Å; F167-L170 HydrophobicContact CD1-CD1 4.28Å; F167-L170 PolarHBondContact O-N 3.04Å; F167-S171 PolarHBondContact O-N 3.19Å; F167-S171 PolarHBondContact O-OG 2.86Å |
| 168 | I | 96.9 | Very high | 96.4 | Very high | 63 Ų | 63 | 44.7 Ų | 44.7 | 32% | 0.323 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 169.1 | -67.9 | 172.2 | 0 | 0 | 0 | 110 | F84 S164 Y165 L170 S171 C172 | F84-I168 HydrophobicContact CB-CG1 4.47Å; F84-I168 HydrophobicContact CD1-CG1 4.32Å; F84-I168 HydrophobicContact CD2-CD1 3.76Å; F84-I168 HydrophobicContact CD2-CG1 3.69Å; F84-I168 HydrophobicContact CE1-CD1 4.27Å; F84-I168 HydrophobicContact CE2-CD1 3.42Å; F84-I168 VanDerWaalsContact CE2-CD1 3.42Å; F84-I168 HydrophobicContact CE2-CG1 3.92Å; F84-I168 HydrophobicContact CG-CD1 4.29Å; F84-I168 HydrophobicContact CG-CG1 3.89Å; F84-I168 HydrophobicContact CZ-CD1 3.71Å; F84-I168 HydrophobicContact CZ-CG1 4.34Å; S164-I168 PolarHBondContact O-N 3.48Å; Y165-I168 HydrophobicContact CD1-CD1 4Å; Y165-I168 PolarHBondContact O-N 3.21Å; I168-L170 VanDerWaalsContact C-N 3.3Å; I168-L170 PolarHBondContact O-N 3.03Å; I168-S171 WeakPolarHBondContact O-CA 3.36Å; I168-S171 WeakPolarHBondContact O-CB 3.27Å; I168-S171 PolarHBondContact O-N 2.88Å; I168-C172 PolarHBondContact O-N 3.29Å; I168-C172 PolarHBondContact O-SG 3.33Å |
| 169 | S | 97.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 47.4 Ų | 47.4 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 179.5 | 80.6 | 0 | 0 | 0 | 0 | 112.6 | Y165 L166 F167 C172 L173 | Y165-S169 PolarHBondContact O-N 3.3Å; L166-S169 WeakPolarHBondContact O-CB 3.29Å; L166-S169 PolarHBondContact O-N 2.96Å; L166-S169 PolarHBondContact O-OG 2.99Å; F167-S169 VanDerWaalsContact C-N 3.33Å; S169-C172 PolarHBondContact O-N 3.13Å; S169-L173 PolarHBondContact O-N 3.49Å |
| 170 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -39.6 | 174.3 | -63.5 | -172.1 | 0 | 0 | 0 | 112.1 | I16 V20 T80 L154 L166 F167 I168 C172 L173 Y174 | I16-L170 HydrophobicContact CG2-CD1 4.38Å; I16-L170 HydrophobicContact CG2-CD2 3.64Å; V20-L170 HydrophobicContact CG2-CD1 3.56Å; T80-L170 HydrophobicContact CG2-CB 3.91Å; T80-L170 HydrophobicContact CG2-CD1 4.29Å; L154-L170 HydrophobicContact CD1-CD1 3.85Å; L154-L170 HydrophobicContact CD1-CD2 4.11Å; L154-L170 HydrophobicContact CD1-CG 4.13Å; L166-L170 PolarHBondContact O-N 3.32Å; L166-L170 VanDerWaalsContact O-N 3.17Å; F167-L170 HydrophobicContact CD1-CD1 4.28Å; F167-L170 PolarHBondContact O-N 3.04Å; I168-L170 VanDerWaalsContact C-N 3.3Å; I168-L170 PolarHBondContact O-N 3.03Å; L170-C172 VanDerWaalsContact C-N 3.31Å; L170-C172 PolarHBondContact O-N 2.94Å; L170-L173 HydrophobicContact CD2-CD1 4.25Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.21Å; L170-L173 VanDerWaalsContact O-N 3.11Å; L170-Y174 HydrophobicContact CB-CE2 4.35Å; L170-Y174 WeakPolarHBondContact O-CD2 3.48Å; L170-Y174 PolarHBondContact O-N 3.4Å |
| 171 | S | 98.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.3 | -54 | 0 | 0 | 0 | 0 | 110.5 | F77 T80 V81 F167 I168 L173 Y174 A175 | F77-S171 VanDerWaalsContact CD2-O 3.25Å; F77-S171 WeakPolarHBondContact CD2-O 3.39Å; T80-S171 VanDerWaalsContact CB-OG 3.24Å; T80-S171 WeakPolarHBondContact CB-OG 3.28Å; T80-S171 WeakPolarHBondContact OG1-CA 3.46Å; T80-S171 PolarHBondContact OG1-OG 3.36Å; V81-S171 PolarHBondContact N-OG 2.72Å; F167-S171 PolarHBondContact O-N 3.19Å; F167-S171 PolarHBondContact O-OG 2.86Å; I168-S171 WeakPolarHBondContact O-CA 3.36Å; I168-S171 WeakPolarHBondContact O-CB 3.27Å; I168-S171 PolarHBondContact O-N 2.88Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 3.42Å; S171-Y174 PolarHBondContact O-N 3.31Å; S171-A175 WeakPolarHBondContact O-CB 3.2Å; S171-A175 PolarHBondContact O-N 3.39Å |
| 172 | C | 98.3 | Very high | 96 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 54% | 0.541 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -38.5 | 174.6 | -65.2 | 0 | 0 | 0 | 0 | 112.8 | I168 S169 L170 A175 S176 | I168-C172 PolarHBondContact O-N 3.29Å; I168-C172 PolarHBondContact O-SG 3.33Å; S169-C172 PolarHBondContact O-N 3.13Å; L170-C172 VanDerWaalsContact C-N 3.31Å; L170-C172 PolarHBondContact O-N 2.94Å; C172-A175 PolarHBondContact O-N 2.9Å; C172-S176 PolarHBondContact O-N 3.21Å |
| 173 | L | 98.3 | Very high | 95.7 | Very high | 54 Ų | 54 | 41 Ų | 41 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 175.7 | -67.8 | 171.5 | 0 | 0 | 0 | 111.7 | L13 I16 I149 S169 L170 S171 S176 G177 | L13-L173 HydrophobicContact CD2-CB 4.24Å; I16-L173 HydrophobicContact CD1-CB 4.22Å; I16-L173 HydrophobicContact CD1-CD1 3.79Å; I149-L173 HydrophobicContact CG2-CD1 3.72Å; S169-L173 PolarHBondContact O-N 3.49Å; L170-L173 HydrophobicContact CD2-CD1 4.25Å; L170-L173 WeakPolarHBondContact O-CB 3.44Å; L170-L173 PolarHBondContact O-N 3.21Å; L170-L173 VanDerWaalsContact O-N 3.11Å; S171-L173 VanDerWaalsContact C-N 3.31Å; S171-L173 PolarHBondContact O-N 3.42Å; L173-S176 WeakPolarHBondContact O-CB 3.4Å; L173-S176 PolarHBondContact O-N 3.37Å; L173-S176 PolarHBondContact O-OG 3.46Å; L173-G177 PolarHBondContact O-N 2.85Å |
| 174 | Y | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | 175.8 | -63.4 | -50.1 | 0 | 0 | 0 | 113 | I16 P17 F73 L76 T80 Y108 L170 S171 S176 G177 M178 | I16-Y174 WeakPolarHBondContact CB-OH 2.79Å; I16-Y174 WeakPolarHBondContact CG2-OH 3.27Å; P17-Y174 WeakPolarHBondContact CD-OH 3.39Å; P17-Y174 VanDerWaalsContact CG-OH 3.28Å; P17-Y174 WeakPolarHBondContact CG-OH 3.28Å; F73-Y174 HydrophobicContact CD1-CD1 4.3Å; L76-Y174 HydrophobicContact CB-CD1 3.83Å; L76-Y174 HydrophobicContact CB-CD2 3.82Å; L76-Y174 HydrophobicContact CB-CE1 3.99Å; L76-Y174 HydrophobicContact CB-CE2 3.95Å; L76-Y174 HydrophobicContact CB-CG 3.76Å; L76-Y174 HydrophobicContact CD1-CD1 3.97Å; L76-Y174 HydrophobicContact CD1-CE1 3.71Å; L76-Y174 HydrophobicContact CG-CE1 4.35Å; T80-Y174 HydrophobicContact CG2-CD2 4.04Å; T80-Y174 HydrophobicContact CG2-CE2 3.68Å; Y108-Y174 AromaticContact CE2-CE2 3.95Å; Y108-Y174 HydrophobicContact CE2-CE2 3.95Å; Y108-Y174 PolarHBondContact OH-OH 3.08Å; L170-Y174 HydrophobicContact CB-CE2 4.35Å; L170-Y174 WeakPolarHBondContact O-CD2 3.48Å; L170-Y174 PolarHBondContact O-N 3.4Å; S171-Y174 PolarHBondContact O-N 3.31Å; Y174-S176 PolarHBondContact O-N 3.26Å; Y174-G177 WeakPolarHBondContact O-CA 3.39Å; Y174-G177 PolarHBondContact O-N 2.74Å; Y174-M178 WeakPolarHBondContact O-CG 3.42Å; Y174-M178 PolarHBondContact O-N 3.33Å |
| 175 | A | 98.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -36.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F77 S171 C172 G177 M178 C179 | F77-A175 HydrophobicContact CD2-CB 4.03Å; F77-A175 HydrophobicContact CE2-CB 4.04Å; S171-A175 WeakPolarHBondContact O-CB 3.2Å; S171-A175 PolarHBondContact O-N 3.39Å; C172-A175 PolarHBondContact O-N 2.9Å; A175-G177 VanDerWaalsContact C-N 3.3Å; A175-G177 PolarHBondContact O-N 2.67Å; A175-M178 WeakPolarHBondContact O-CB 3.47Å; A175-M178 PolarHBondContact O-N 2.63Å; A175-C179 PolarHBondContact O-N 3.45Å; A175-C179 PolarHBondContact O-SG 2.95Å; A175-C179 VanDerWaalsContact O-SG 3.39Å |
| 176 | S | 97.3 | Very high | 91.7 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 172.9 | 83.8 | 0 | 0 | 0 | 0 | 112.1 | Y9 C172 L173 Y174 C179 F180 | Y9-S176 PolarHBondContact OH-O 3.38Å; Y9-S176 PolarHBondContact OH-OG 2.88Å; C172-S176 PolarHBondContact O-N 3.21Å; L173-S176 WeakPolarHBondContact O-CB 3.4Å; L173-S176 PolarHBondContact O-N 3.37Å; L173-S176 PolarHBondContact O-OG 3.46Å; Y174-S176 PolarHBondContact O-N 3.26Å; S176-C179 PolarHBondContact O-N 3.26Å; S176-F180 VanDerWaalsContact O-CB 3.27Å; S176-F180 WeakPolarHBondContact O-CB 3.28Å; S176-F180 PolarHBondContact O-N 3.44Å |
| 177 | G | 97 | Very high | 90 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y9 F73 L173 Y174 A175 F180 C181 | Y9-G177 WeakPolarHBondContact OH-CA 3.5Å; Y9-G177 PolarHBondContact OH-N 2.92Å; F73-G177 VanDerWaalsContact CD2-C 3.44Å; F73-G177 WeakPolarHBondContact CD2-O 3.48Å; L173-G177 PolarHBondContact O-N 2.85Å; Y174-G177 WeakPolarHBondContact O-CA 3.39Å; Y174-G177 PolarHBondContact O-N 2.74Å; A175-G177 VanDerWaalsContact C-N 3.3Å; A175-G177 PolarHBondContact O-N 2.67Å; G177-F180 WeakPolarHBondContact O-CB 3.37Å; G177-F180 PolarHBondContact O-N 2.82Å; G177-C181 PolarHBondContact O-N 2.67Å; G177-C181 PolarHBondContact O-SG 3.24Å |
| 178 | M | 96.9 | Very high | 88.5 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 18% | 0.177 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -51.4 | 172.5 | -63.6 | 166.3 | 62.4 | 0 | 0 | 111.1 | F70 F73 F77 Y174 A175 F180 C181 L182 | F70-M178 HydrophobicContact CD2-CB 4.23Å; F70-M178 HydrophobicContact CE2-CB 3.99Å; F70-M178 HydrophobicContact CE2-CE 4.33Å; F70-M178 HydrophobicContact CE2-CG 4.49Å; F70-M178 HydrophobicContact CZ-CE 4.19Å; F73-M178 HydrophobicContact CB-CG 3.67Å; F77-M178 HydrophobicContact CB-SD 4Å; F77-M178 HydrophobicContact CG-SD 4.13Å; Y174-M178 WeakPolarHBondContact O-CG 3.42Å; Y174-M178 PolarHBondContact O-N 3.33Å; A175-M178 WeakPolarHBondContact O-CB 3.47Å; A175-M178 PolarHBondContact O-N 2.63Å; M178-F180 VanDerWaalsContact C-N 3.28Å; M178-F180 PolarHBondContact O-N 2.9Å; M178-C181 WeakPolarHBondContact O-CB 3.22Å; M178-C181 PolarHBondContact O-N 3.02Å; M178-L182 PolarHBondContact O-N 3.28Å |
| 179 | C | 95.6 | Very high | 86.7 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 53% | 0.534 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 177.1 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | A175 S176 C181 L182 I183 | A175-C179 PolarHBondContact O-N 3.45Å; A175-C179 PolarHBondContact O-SG 2.95Å; A175-C179 VanDerWaalsContact O-SG 3.39Å; S176-C179 PolarHBondContact O-N 3.26Å; C179-C181 VanDerWaalsContact C-N 3.3Å; C179-C181 PolarHBondContact O-N 3.24Å; C179-L182 WeakPolarHBondContact O-CA 3.5Å; C179-L182 WeakPolarHBondContact O-CB 3.49Å; C179-L182 PolarHBondContact O-N 3.01Å; C179-I183 PolarHBondContact O-N 3.2Å |
| 180 | F | 93.4 | Very high | 84.7 | Confident | 37 Ų | 37 | 50.8 Ų | 50.8 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 175.2 | 177.8 | -104.2 | 0 | 0 | 0 | 112.8 | Y9 L10 S176 G177 M178 L182 I183 F186 | Y9-F180 HydrophobicContact CD1-CD1 4.12Å; Y9-F180 HydrophobicContact CD1-CD2 4.24Å; Y9-F180 AromaticContact CD1-CE1 3.8Å; Y9-F180 HydrophobicContact CD1-CE1 3.8Å; Y9-F180 AromaticContact CD1-CE2 3.92Å; Y9-F180 HydrophobicContact CD1-CE2 3.92Å; Y9-F180 HydrophobicContact CD1-CG 4.24Å; Y9-F180 AromaticContact CD1-CZ 3.57Å; Y9-F180 HydrophobicContact CD1-CZ 3.57Å; Y9-F180 HydrophobicContact CE1-CB 4Å; Y9-F180 AromaticContact CE1-CD1 3.8Å; Y9-F180 HydrophobicContact CE1-CD1 3.8Å; Y9-F180 AromaticContact CE1-CD2 3.95Å; Y9-F180 HydrophobicContact CE1-CD2 3.95Å; Y9-F180 AromaticContact CE1-CE1 3.97Å; Y9-F180 HydrophobicContact CE1-CE1 3.97Å; Y9-F180 HydrophobicContact CE1-CE2 4.11Å; Y9-F180 AromaticContact CE1-CG 3.69Å; Y9-F180 HydrophobicContact CE1-CG 3.69Å; Y9-F180 HydrophobicContact CE1-CZ 4.02Å; L10-F180 HydrophobicContact CD2-CD1 4.39Å; L10-F180 HydrophobicContact CD2-CE1 3.88Å; L10-F180 HydrophobicContact CG-CE1 4.3Å; S176-F180 VanDerWaalsContact O-CB 3.27Å; S176-F180 WeakPolarHBondContact O-CB 3.28Å; S176-F180 PolarHBondContact O-N 3.44Å; G177-F180 WeakPolarHBondContact O-CB 3.37Å; G177-F180 PolarHBondContact O-N 2.82Å; M178-F180 VanDerWaalsContact C-N 3.28Å; M178-F180 PolarHBondContact O-N 2.9Å; F180-L182 PolarHBondContact O-N 2.9Å; F180-I183 PolarHBondContact O-N 3.06Å; F180-F186 HydrophobicContact CD1-CE1 4.44Å; F180-F186 HydrophobicContact CD1-CZ 4.32Å; F180-F186 HydrophobicContact CD2-CD2 4.39Å; F180-F186 HydrophobicContact CD2-CE2 4.31Å; F180-F186 HydrophobicContact CE1-CD1 4.23Å; F180-F186 HydrophobicContact CE1-CD2 4.26Å; F180-F186 AromaticContact CE1-CE1 3.54Å; F180-F186 HydrophobicContact CE1-CE1 3.54Å; F180-F186 AromaticContact CE1-CE2 3.61Å; F180-F186 HydrophobicContact CE1-CE2 3.61Å; F180-F186 AromaticContact CE1-CZ 3.17Å; F180-F186 HydrophobicContact CE1-CZ 3.17Å; F180-F186 AromaticContact CE2-CD2 3.63Å; F180-F186 HydrophobicContact CE2-CD2 3.63Å; F180-F186 AromaticContact CE2-CE2 3.23Å; F180-F186 HydrophobicContact CE2-CE2 3.23Å; F180-F186 HydrophobicContact CE2-CG 4.48Å; F180-F186 AromaticContact CE2-CZ 3.77Å; F180-F186 HydrophobicContact CE2-CZ 3.77Å; F180-F186 HydrophobicContact CZ-CD1 4.4Å; F180-F186 AromaticContact CZ-CD2 3.65Å; F180-F186 HydrophobicContact CZ-CD2 3.65Å; F180-F186 AromaticContact CZ-CE1 3.74Å; F180-F186 HydrophobicContact CZ-CE1 3.74Å; F180-F186 AromaticContact CZ-CE2 2.86Å; F180-F186 HydrophobicContact CZ-CE2 2.86Å; F180-F186 HydrophobicContact CZ-CG 4.35Å; F180-F186 AromaticContact CZ-CZ 2.89Å; F180-F186 HydrophobicContact CZ-CZ 2.89Å |
| 181 | C | 91.4 | Very high | 82.7 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -22.9 | 174 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | R66 F70 G177 M178 C179 W187 | R66-C181 PolarHBondContact NE-O 3.35Å; R66-C181 PolarHBondContact NH2-O 3.47Å; R66-C181 VanDerWaalsContact NH2-O 3.07Å; F70-C181 HydrophobicContact CB-CB 4.05Å; F70-C181 HydrophobicContact CD2-CB 4.07Å; G177-C181 PolarHBondContact O-N 2.67Å; G177-C181 PolarHBondContact O-SG 3.24Å; M178-C181 WeakPolarHBondContact O-CB 3.22Å; M178-C181 PolarHBondContact O-N 3.02Å; C179-C181 VanDerWaalsContact C-N 3.3Å; C179-C181 PolarHBondContact O-N 3.24Å; C181-W187 PolarHBondContact O-NE1 2.95Å |
| 182 | L | 90.3 | Very high | 80.7 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -82 | -21 | 178.1 | -61.4 | 177 | 0 | 0 | 0 | 113.4 | R66 F70 M178 C179 F180 G184 | R66-L182 PolarHBondContact NH2-O 3.45Å; F70-L182 HydrophobicContact CD2-CD2 4.24Å; F70-L182 HydrophobicContact CD2-CG 4.48Å; F70-L182 HydrophobicContact CE2-CD1 4.32Å; F70-L182 HydrophobicContact CE2-CD2 3.95Å; F70-L182 HydrophobicContact CE2-CG 4.12Å; M178-L182 PolarHBondContact O-N 3.28Å; C179-L182 WeakPolarHBondContact O-CA 3.5Å; C179-L182 WeakPolarHBondContact O-CB 3.49Å; C179-L182 PolarHBondContact O-N 3.01Å; F180-L182 PolarHBondContact O-N 2.9Å; L182-G184 PolarHBondContact O-N 3.16Å; L182-G184 VanDerWaalsContact O-N 3.08Å |
| 183 | I | 87.6 | Confident | 78.3 | Confident | 98 Ų | 98 | 63.2 Ų | 63.2 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | trans | -72.9 | 101.9 | -177.9 | -60.8 | 168.7 | 0 | 0 | 0 | 110.8 | C179 F180 K185 F186 | C179-I183 PolarHBondContact O-N 3.2Å; F180-I183 PolarHBondContact O-N 3.06Å; I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.38Å; I183-F186 VanDerWaalsContact O-CB 3.23Å; I183-F186 WeakPolarHBondContact O-CB 3.49Å; I183-F186 PolarHBondContact O-N 3.36Å | ||
| 184 | G | 68.6 | Low | 76 | Confident | 51 Ų | 51 | 64.1 Ų | 64.1 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -60.4 | -29.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L182 F186 W187 | L182-G184 PolarHBondContact O-N 3.16Å; L182-G184 VanDerWaalsContact O-N 3.08Å; G184-F186 PolarHBondContact O-N 3.36Å; G184-F186 VanDerWaalsContact O-N 3.16Å; G184-W187 PolarHBondContact O-N 2.82Å |
| 185 | K | 66.1 | Low | 73.8 | Confident | 194 Ų | 194 | 70 Ų | 70 | 84% | 0.843 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -60.3 | -27 | 178.5 | -72.7 | -176.4 | 179.2 | 177.7 | 0 | 112.9 | I183 W187 | I183-K185 VanDerWaalsContact C-N 3.33Å; I183-K185 PolarHBondContact O-N 3.38Å; K185-W187 VanDerWaalsContact C-N 3.32Å; K185-W187 PolarHBondContact O-N 3.36Å |
| 186 | F | 63.4 | Low | 71.3 | Confident | 9 Ų | 9 | 74 Ų | 74 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -69.5 | -29.6 | -178.2 | -167.3 | -92.1 | 0 | 0 | 0 | 113.2 | Y2 V6 F180 I183 G184 K188 F189 | Y2-F186 HydrophobicContact CE1-CD2 4.47Å; Y2-F186 AromaticContact CZ-CD2 3.84Å; Y2-F186 WeakPolarHBondContact OH-CA 3.19Å; Y2-F186 WeakPolarHBondContact OH-CD2 3.45Å; V6-F186 HydrophobicContact CB-CE2 3.88Å; V6-F186 HydrophobicContact CB-CZ 3.63Å; V6-F186 HydrophobicContact CG1-CE1 3.92Å; V6-F186 HydrophobicContact CG1-CE2 3.93Å; V6-F186 HydrophobicContact CG1-CZ 3.14Å; V6-F186 HydrophobicContact CG2-CD2 4.12Å; V6-F186 HydrophobicContact CG2-CE1 4.49Å; V6-F186 HydrophobicContact CG2-CE2 3.07Å; V6-F186 HydrophobicContact CG2-CZ 3.33Å; F180-F186 HydrophobicContact CD1-CE1 4.44Å; F180-F186 HydrophobicContact CD1-CZ 4.32Å; F180-F186 HydrophobicContact CD2-CD2 4.39Å; F180-F186 HydrophobicContact CD2-CE2 4.31Å; F180-F186 HydrophobicContact CE1-CD1 4.23Å; F180-F186 HydrophobicContact CE1-CD2 4.26Å; F180-F186 AromaticContact CE1-CE1 3.54Å; F180-F186 HydrophobicContact CE1-CE1 3.54Å; F180-F186 AromaticContact CE1-CE2 3.61Å; F180-F186 HydrophobicContact CE1-CE2 3.61Å; F180-F186 AromaticContact CE1-CZ 3.17Å; F180-F186 HydrophobicContact CE1-CZ 3.17Å; F180-F186 AromaticContact CE2-CD2 3.63Å; F180-F186 HydrophobicContact CE2-CD2 3.63Å; F180-F186 AromaticContact CE2-CE2 3.23Å; F180-F186 HydrophobicContact CE2-CE2 3.23Å; F180-F186 HydrophobicContact CE2-CG 4.48Å; F180-F186 AromaticContact CE2-CZ 3.77Å; F180-F186 HydrophobicContact CE2-CZ 3.77Å; F180-F186 HydrophobicContact CZ-CD1 4.4Å; F180-F186 AromaticContact CZ-CD2 3.65Å; F180-F186 HydrophobicContact CZ-CD2 3.65Å; F180-F186 AromaticContact CZ-CE1 3.74Å; F180-F186 HydrophobicContact CZ-CE1 3.74Å; F180-F186 AromaticContact CZ-CE2 2.86Å; F180-F186 HydrophobicContact CZ-CE2 2.86Å; F180-F186 HydrophobicContact CZ-CG 4.35Å; F180-F186 AromaticContact CZ-CZ 2.89Å; F180-F186 HydrophobicContact CZ-CZ 2.89Å; I183-F186 VanDerWaalsContact O-CB 3.23Å; I183-F186 WeakPolarHBondContact O-CB 3.49Å; I183-F186 PolarHBondContact O-N 3.36Å; G184-F186 PolarHBondContact O-N 3.36Å; G184-F186 VanDerWaalsContact O-N 3.16Å; F186-K188 PolarHBondContact O-N 2.82Å; F186-F189 WeakPolarHBondContact O-CB 3.29Å; F186-F189 PolarHBondContact O-N 3.22Å |
| 187 | W | 61.8 | Low | 68.8 | Low | 11 Ų | 11 | 74.5 Ų | 74.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -88.7 | -7.2 | -160.1 | -83.6 | 81.1 | 0 | 0 | 0 | 115.9 | K65 R66 L69 C181 G184 K185 F189 C190 N191 | K65-W187 HydrophobicContact CB-CH2 4.25Å; K65-W187 HydrophobicContact CB-CZ3 4.22Å; R66-W187 HydrophobicContact CB-CD2 3.74Å; R66-W187 HydrophobicContact CB-CE3 3.36Å; R66-W187 HydrophobicContact CB-CH2 3.32Å; R66-W187 HydrophobicContact CB-CZ2 3.54Å; R66-W187 HydrophobicContact CB-CZ3 3.13Å; R66-W187 VanDerWaalsContact CD-CD2 3.43Å; R66-W187 HydrophobicContact CG-CD2 3.57Å; R66-W187 HydrophobicContact CG-CE3 3.77Å; R66-W187 HydrophobicContact CG-CG 4.37Å; R66-W187 HydrophobicContact CG-CH2 3.85Å; R66-W187 HydrophobicContact CG-CZ2 3.48Å; R66-W187 VanDerWaalsContact CG-CZ2 3.48Å; R66-W187 HydrophobicContact CG-CZ3 3.91Å; L69-W187 HydrophobicContact CD1-CH2 4.17Å; L69-W187 HydrophobicContact CD1-CZ2 4.11Å; C181-W187 PolarHBondContact O-NE1 2.95Å; G184-W187 PolarHBondContact O-N 2.82Å; K185-W187 VanDerWaalsContact C-N 3.32Å; K185-W187 PolarHBondContact O-N 3.36Å; W187-F189 PolarHBondContact O-N 3.42Å; W187-F189 VanDerWaalsContact O-N 3.15Å; W187-C190 HydrophobicContact CD2-CB 3.93Å; W187-C190 HydrophobicContact CE3-CB 3.16Å; W187-C190 HydrophobicContact CH2-CB 3.55Å; W187-C190 WeakPolarHBondContact CH2-SG 3.18Å; W187-C190 HydrophobicContact CZ2-CB 4.38Å; W187-C190 HydrophobicContact CZ3-CB 2.93Å; W187-C190 WeakPolarHBondContact CZ3-SG 3.24Å; W187-C190 PolarHBondContact O-N 3.47Å; W187-N191 PolarHBondContact O-N 3.36Å |
| 188 | K | 64.7 | Low | 66.2 | Low | 193 Ų | 193 | 81.9 Ų | 81.9 | 84% | 0.839 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -54.3 | -30.3 | 163.3 | -81.7 | -171.8 | 177.5 | -177.6 | 0 | 111.2 | F186 | F186-K188 PolarHBondContact O-N 2.82Š|
| 189 | F | 60 | Low | 63.5 | Low | 27 Ų | 27 | 84.3 Ų | 84.3 | 12% | 0.118 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -65 | -37.5 | 174.8 | 178.8 | -110.3 | 0 | 0 | 0 | 113.6 | T3 V6 T126 F186 W187 V192 | T3-F189 HydrophobicContact CG2-CD2 4.44Å; T3-F189 HydrophobicContact CG2-CE2 3.3Å; T3-F189 HydrophobicContact CG2-CZ 3.59Å; T3-F189 VanDerWaalsContact OG1-CE2 3.27Å; T3-F189 WeakPolarHBondContact OG1-CE2 3.03Å; V6-F189 HydrophobicContact CG1-CD1 3.95Å; V6-F189 HydrophobicContact CG1-CE1 3.58Å; V6-F189 HydrophobicContact CG1-CZ 4.21Å; T126-F189 VanDerWaalsContact CB-CE2 3.49Å; T126-F189 HydrophobicContact CG2-CD2 4.06Å; T126-F189 HydrophobicContact CG2-CE1 4.07Å; T126-F189 HydrophobicContact CG2-CE2 3.39Å; T126-F189 HydrophobicContact CG2-CZ 3.41Å; T126-F189 VanDerWaalsContact CG2-CZ 3.41Å; T126-F189 WeakPolarHBondContact OG1-CZ 3.48Å; F186-F189 WeakPolarHBondContact O-CB 3.29Å; F186-F189 PolarHBondContact O-N 3.22Å; W187-F189 PolarHBondContact O-N 3.42Å; W187-F189 VanDerWaalsContact O-N 3.15Å; F189-V192 VanDerWaalsContact O-CG2 3.26Å; F189-V192 WeakPolarHBondContact O-CG2 3.45Å |
| 190 | C | 55.5 | Low | 61 | Low | 10 Ų | 10 | 87.6 Ų | 87.6 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -9.2 | -174.2 | -58.7 | 0 | 0 | 0 | 0 | 113.8 | L122 W187 V192 | L122-C190 HydrophobicContact CD2-CB 3.95Å; W187-C190 HydrophobicContact CD2-CB 3.93Å; W187-C190 HydrophobicContact CE3-CB 3.16Å; W187-C190 HydrophobicContact CH2-CB 3.55Å; W187-C190 WeakPolarHBondContact CH2-SG 3.18Å; W187-C190 HydrophobicContact CZ2-CB 4.38Å; W187-C190 HydrophobicContact CZ3-CB 2.93Å; W187-C190 WeakPolarHBondContact CZ3-SG 3.24Å; W187-C190 PolarHBondContact O-N 3.47Å; C190-V192 PolarHBondContact O-N 3.46Å |
| 191 | N | 56.2 | Low | 58.6 | Low | 121 Ų | 121 | 90.9 Ų | 90.9 | 65% | 0.647 | 44% | 0.441 | S | S | * | . | trans | -68.7 | 23.1 | 167.5 | -84.5 | -1.2 | 0 | 0 | 0 | 112.4 | W187 K193 | W187-N191 PolarHBondContact O-N 3.36Å; N191-K193 PolarHBondContact O-N 3.24Å | ||
| 192 | V | 55 | Low | 56.5 | Low | 50 Ų | 50 | 96 Ų | 96 | 30% | 0.303 | 47% | 0.465 | S | S | . | . | trans | -56.3 | 120 | 167.6 | -171.1 | 0 | 0 | 0 | 0 | 106.3 | T126 F189 C190 Q194 | T126-V192 HydrophobicContact CG2-CG2 3.85Å; F189-V192 VanDerWaalsContact O-CG2 3.26Å; F189-V192 WeakPolarHBondContact O-CG2 3.45Å; C190-V192 PolarHBondContact O-N 3.46Å; V192-Q194 PolarHBondContact O-N 3.07Å | ||
| 193 | K | 49.3 | Very low | 54.5 | Low | 177 Ų | 177 | 94.7 Ų | 94.7 | 77% | 0.77 | 46% | 0.461 | S | S | * | . | trans | -46.9 | 114.9 | 179.4 | -72.7 | -177.4 | 177.1 | -177.5 | 0 | 107.4 | N191 F195 | N191-K193 PolarHBondContact O-N 3.24Å; K193-F195 PolarHBondContact O-N 2.83Å | ||
| 194 | Q | 50.1 | Low | 52.8 | Low | 73 Ų | 73 | 94 Ų | 94 | 34% | 0.341 | 46% | 0.458 | S | S | . | . | trans | -50.5 | 113.2 | 163 | -129.7 | 163.8 | 1.1 | 0 | 0 | 104.4 | D60 R61 V63 V192 H196 | D60-Q194 PolarHBondContact O-NE2 2.9Å; R61-Q194 VanDerWaalsContact C-NE2 3.35Å; R61-Q194 PolarHBondContact O-NE2 3.35Å; V63-Q194 PolarHBondContact O-NE2 3.43Å; V192-Q194 PolarHBondContact O-N 3.07Å; Q194-H196 PolarHBondContact O-N 3.18Å | ||
| 195 | F | 50.4 | Low | 51.9 | Low | 122 Ų | 122 | 99.3 Ų | 99.3 | 54% | 0.535 | 47% | 0.469 | S | S | . | . | trans | -71.1 | 82.7 | 178.5 | -83.9 | -86.2 | 0 | 0 | 0 | 106.7 | K193 E197 K372 | K193-F195 PolarHBondContact O-N 2.83Å; F195-E197 PolarHBondContact O-N 3.38Å; F195-K372 HydrophobicContact CE2-CD 4.25Å; F195-K372 HydrophobicContact CZ-CD 4.08Å | ||
| 196 | H | 46.2 | Very low | 51 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | trans | -63.6 | 115.8 | 154.9 | -69.7 | -77.1 | 0 | 0 | 0 | 105.1 | Q194 K198 | Q194-H196 PolarHBondContact O-N 3.18Å; H196-K198 PolarHBondContact O-N 3.38Å | ||
| 197 | E | 45.4 | Very low | 50.5 | Low | 57 Ų | 57 | 103.4 Ų | 103.4 | 27% | 0.266 | 50% | 0.495 | S | S | . | . | trans | -44.6 | 119.9 | 171.3 | -156.6 | 165.7 | 180 | 0 | 0 | 106.7 | F195 T199 Y374 | F195-E197 PolarHBondContact O-N 3.38Å; E197-T199 PolarHBondContact O-N 3.12Å; E197-Y374 PolarHBondContact OE2-OH 3.06Å | ||
| 198 | K | 41.3 | Very low | 50 | Low | 154 Ų | 154 | 110.7 Ų | 110.7 | 67% | 0.67 | 53% | 0.534 | S | S | * | . | trans | -56.4 | 126.6 | -173.7 | -70.8 | 179.5 | 177.7 | -178.3 | 0 | 107.6 | H196 Y200 | H196-K198 PolarHBondContact O-N 3.38Å; K198-Y200 HydrophobicContact CB-CD2 4.42Å; K198-Y200 HydrophobicContact CB-CE1 4.27Å; K198-Y200 HydrophobicContact CB-CE2 3.9Å; K198-Y200 HydrophobicContact CD-CE1 4.43Å; K198-Y200 WeakPolarHBondContact O-CD2 3.47Å; K198-Y200 VanDerWaalsContact O-CE2 3.25Å; K198-Y200 WeakPolarHBondContact O-CE2 3.15Å; K198-Y200 PolarHBondContact O-N 3.05Å; K198-Y200 VanDerWaalsContact O-N 3.09Å | ||
| 199 | T | 40.5 | Very low | 49.3 | Very low | 88 Ų | 88 | 104.8 Ų | 104.8 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | trans | -60.6 | 112.7 | 163.8 | -46.3 | 0 | 0 | 0 | 0 | 106.7 | E197 I217 | E197-T199 PolarHBondContact O-N 3.12Å; T199-I217 HydrophobicContact CG2-CG2 3.42Å; T199-I217 VanDerWaalsContact CG2-CG2 3.42Å | ||
| 200 | Y | 43.8 | Very low | 48.8 | Very low | 147 Ų | 147 | 111.9 Ų | 111.9 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.6 | 170.2 | -60.7 | -86.4 | 0 | 0 | 0 | 106.8 | K198 Q202 V218 | K198-Y200 HydrophobicContact CB-CD2 4.42Å; K198-Y200 HydrophobicContact CB-CE1 4.27Å; K198-Y200 HydrophobicContact CB-CE2 3.9Å; K198-Y200 HydrophobicContact CD-CE1 4.43Å; K198-Y200 WeakPolarHBondContact O-CD2 3.47Å; K198-Y200 VanDerWaalsContact O-CE2 3.25Å; K198-Y200 WeakPolarHBondContact O-CE2 3.15Å; K198-Y200 PolarHBondContact O-N 3.05Å; K198-Y200 VanDerWaalsContact O-N 3.09Å; Y200-Q202 PolarHBondContact O-N 3.45Å; Y200-V218 PolarHBondContact O-N 3.03Å |
| 201 | I | 43.9 | Very low | 48.5 | Very low | 106 Ų | 106 | 115.3 Ų | 115.3 | 54% | 0.544 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 112 | 165.6 | -59.1 | 176.7 | 0 | 0 | 0 | 105 | V203 L215 | I201-V203 HydrophobicContact CG2-CG2 4.37Å; I201-L215 HydrophobicContact CG2-CD2 3.28Å |
| 202 | Q | 46.3 | Very low | 47.9 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.8 | 166.2 | -77.6 | -165.7 | -53.6 | 0 | 0 | 106.8 | Y200 T216 V218 | Y200-Q202 PolarHBondContact O-N 3.45Å; Q202-T216 PolarHBondContact N-O 3.44Å; Q202-T216 VanDerWaalsContact N-O 3.08Å; Q202-T216 PolarHBondContact O-N 2.95Å; Q202-T216 PolarHBondContact O-OG1 3.47Å; Q202-V218 HydrophobicContact CB-CG2 4.24Å; Q202-V218 HydrophobicContact CG-CG2 4.39Å |
| 203 | V | 49.2 | Very low | 47.6 | Very low | 79 Ų | 79 | 117.8 Ų | 117.8 | 48% | 0.479 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 109.4 | 165.4 | -176.5 | 0 | 0 | 0 | 0 | 105.2 | I201 E205 L215 | I201-V203 HydrophobicContact CG2-CG2 4.37Å; V203-E205 HydrophobicContact CG1-CG 4.2Å; V203-E205 PolarHBondContact O-N 2.94Å; V203-L215 HydrophobicContact CG2-CD2 3.94Å |
| 204 | N | 50.8 | Low | 47.7 | Very low | 83 Ų | 83 | 114.7 Ų | 114.7 | 44% | 0.444 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.8 | 102.4 | 166 | -85.7 | -12.8 | 0 | 0 | 0 | 106.8 | N206 | N204-N206 VanDerWaalsContact C-N 3.29Å; N204-N206 PolarHBondContact O-N 3.44Å |
| 205 | E | 50.7 | Low | 47.7 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 76% | 0.762 | 62% | 0.617 | S | S | * | * | trans | -72.9 | 91.2 | 163.3 | -69.6 | 179.3 | -178.3 | 0 | 0 | 107.1 | V203 E207 | V203-E205 HydrophobicContact CG1-CG 4.2Å; V203-E205 PolarHBondContact O-N 2.94Å; E205-E207 PolarHBondContact O-N 2.82Å | ||
| 206 | N | 46.7 | Very low | 47.9 | Very low | 100 Ų | 100 | 114 Ų | 114 | 54% | 0.535 | 61% | 0.609 | S | S | . | * | trans | -70.9 | 106.5 | 165.3 | -77.3 | -16.2 | 0 | 0 | 0 | 107.2 | N204 N208 | N204-N206 VanDerWaalsContact C-N 3.29Å; N204-N206 PolarHBondContact O-N 3.44Å; N206-N208 PolarHBondContact O-N 2.85Å | ||
| 207 | E | 53.1 | Low | 48.2 | Very low | 188 Ų | 188 | 114 Ų | 114 | 88% | 0.879 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -5.7 | -179.5 | -73 | -175.2 | 159.9 | 0 | 0 | 114.5 | E205 | E205-E207 PolarHBondContact O-N 2.82Š|
| 208 | N | 51.6 | Low | 48.5 | Very low | 164 Ų | 164 | 113.8 Ų | 113.8 | 88% | 0.877 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.7 | 18.7 | -171.1 | -74.5 | -20.8 | 0 | 0 | 0 | 115.6 | N206 | N206-N208 PolarHBondContact O-N 2.85Š|
| 209 | S | 48.2 | Very low | 49 | Very low | 70 Ų | 70 | 109.8 Ų | 109.8 | 49% | 0.49 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -136.8 | 121.2 | 176.9 | 38.9 | 0 | 0 | 0 | 0 | 111.5 | G211 | S209-G211 PolarHBondContact O-N 2.85Š|
| 210 | D | 49.9 | Very low | 49.7 | Very low | 175 Ų | 175 | 112.2 Ų | 112.2 | 94% | 0.936 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -49.1 | 116.9 | 178.1 | -65.6 | -44.2 | 0 | 0 | 0 | 111.9 | E212 | D210-E212 PolarHBondContact O-N 3.36Š|
| 211 | G | 48.8 | Very low | 50.6 | Low | 82 Ų | 82 | 113.3 Ų | 113.3 | 85% | 0.845 | 62% | 0.62 | S | S | * | * | S | Bend | trans | 86.9 | -18.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | S209 | S209-G211 PolarHBondContact O-N 2.85Š|
| 212 | E | 45.5 | Very low | 51.6 | Low | 172 Ų | 172 | 109.3 Ų | 109.3 | 80% | 0.804 | 60% | 0.598 | S | S | * | * | trans | -130.6 | 101 | 179.8 | -75.5 | -178.2 | 168 | 0 | 0 | 111.5 | D210 D214 | D210-E212 PolarHBondContact O-N 3.36Å; E212-D214 PolarHBondContact O-N 2.73Å | ||
| 213 | G | 47.4 | Very low | 52.9 | Low | 51 Ų | 51 | 106.1 Ų | 106.1 | 53% | 0.526 | 59% | 0.588 | S | S | . | * | trans | -67.3 | 115.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L215 | G213-L215 PolarHBondContact O-N 2.7Š| ||
| 214 | D | 52.7 | Low | 54 | Low | 113 Ų | 113 | 106.3 Ų | 106.3 | 60% | 0.604 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.4 | 104.4 | 175.7 | -97.1 | -24.5 | 0 | 0 | 0 | 110.2 | E212 T216 | E212-D214 PolarHBondContact O-N 2.73Å; D214-T216 PolarHBondContact O-N 2.99Å |
| 215 | L | 50.1 | Low | 55.2 | Low | 118 Ų | 118 | 106.7 Ų | 106.7 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.3 | 91.4 | 169.8 | -85.9 | 150.7 | 0 | 0 | 0 | 109.3 | I201 V203 G213 I217 | I201-L215 HydrophobicContact CG2-CD2 3.28Å; V203-L215 HydrophobicContact CG2-CD2 3.94Å; G213-L215 PolarHBondContact O-N 2.7Å; L215-I217 PolarHBondContact O-N 3.22Å |
| 216 | T | 54.1 | Low | 56.4 | Low | 61 Ų | 61 | 103 Ų | 103 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 106.6 | 171.4 | 30 | 0 | 0 | 0 | 0 | 110 | Q202 D214 V218 | Q202-T216 PolarHBondContact N-O 3.44Å; Q202-T216 VanDerWaalsContact N-O 3.08Å; Q202-T216 PolarHBondContact O-N 2.95Å; Q202-T216 PolarHBondContact O-OG1 3.47Å; D214-T216 PolarHBondContact O-N 2.99Å; T216-V218 PolarHBondContact O-N 3.4Å |
| 217 | I | 51.6 | Low | 57.7 | Low | 114 Ų | 114 | 98.3 Ų | 98.3 | 59% | 0.585 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 96.6 | 169.5 | -58.1 | 176.6 | 0 | 0 | 0 | 107.6 | T199 L215 S219 | T199-I217 HydrophobicContact CG2-CG2 3.42Å; T199-I217 VanDerWaalsContact CG2-CG2 3.42Å; L215-I217 PolarHBondContact O-N 3.22Å; I217-S219 PolarHBondContact O-N 3.49Å; I217-S219 VanDerWaalsContact O-N 3.11Å |
| 218 | V | 53.2 | Low | 59 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 32% | 0.315 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 84.1 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | Y200 Q202 T216 K220 | Y200-V218 PolarHBondContact O-N 3.03Å; Q202-V218 HydrophobicContact CB-CG2 4.24Å; Q202-V218 HydrophobicContact CG-CG2 4.39Å; T216-V218 PolarHBondContact O-N 3.4Å; V218-K220 HydrophobicContact CG1-CG 4.17Å; V218-K220 PolarHBondContact O-N 2.88Å; V218-K220 VanDerWaalsContact O-N 3.12Å |
| 219 | S | 51.6 | Low | 60.5 | Low | 70 Ų | 70 | 90.3 Ų | 90.3 | 49% | 0.49 | 50% | 0.497 | S | S | . | . | trans | -72.8 | 98.5 | 160.9 | 57.8 | 0 | 0 | 0 | 0 | 107.9 | I217 E221 | I217-S219 PolarHBondContact O-N 3.49Å; I217-S219 VanDerWaalsContact O-N 3.11Å; S219-E221 PolarHBondContact O-N 3.14Å | ||
| 220 | K | 54 | Low | 61.7 | Low | 139 Ų | 139 | 88 Ų | 88 | 60% | 0.604 | 48% | 0.479 | S | S | * | . | trans | -65.5 | 100.9 | 165.4 | -82 | -179.8 | 177.2 | 165.6 | 0 | 107.9 | V218 | V218-K220 HydrophobicContact CG1-CG 4.17Å; V218-K220 PolarHBondContact O-N 2.88Å; V218-K220 VanDerWaalsContact O-N 3.12Å | ||
| 221 | E | 62.6 | Low | 62.9 | Low | 170 Ų | 170 | 79.7 Ų | 79.7 | 79% | 0.794 | 44% | 0.435 | S | S | * | . | trans | -61 | 137.3 | 168.6 | -73.9 | -169.4 | 161.2 | 0 | 0 | 109.5 | S219 S223 | S219-E221 PolarHBondContact O-N 3.14Å; E221-S223 PolarHBondContact O-N 2.95Å | ||
| 222 | Y | 65.4 | Low | 64.4 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 9% | 0.086 | 42% | 0.417 | C | S | . | . | trans | -60.9 | 121.9 | 174.8 | 177 | -91.3 | 0 | 0 | 0 | 109.6 | P57 R61 Y224 A227 Y374 T377 | P57-Y222 HydrophobicContact CB-CE1 3.89Å; R61-Y222 VanDerWaalsContact NH1-CD2 3.34Å; R61-Y222 VanDerWaalsContact NH1-CG 3.27Å; Y222-Y224 HydrophobicContact CD1-CD2 4.28Å; Y222-Y224 HydrophobicContact CD1-CE2 4.25Å; Y222-Y224 HydrophobicContact CE1-CD1 4.24Å; Y222-Y224 HydrophobicContact CE1-CD2 4.36Å; Y222-Y224 HydrophobicContact CE1-CE1 4.39Å; Y222-Y224 HydrophobicContact CE1-CE2 4.46Å; Y222-Y224 HydrophobicContact CE1-CG 4.21Å; Y222-A227 WeakPolarHBondContact OH-CB 3.2Å; Y222-Y374 HydrophobicContact CD2-CD1 4.14Å; Y222-Y374 AromaticContact CD2-CE1 3.57Å; Y222-Y374 HydrophobicContact CD2-CE1 3.57Å; Y222-Y374 AromaticContact CD2-CZ 3.86Å; Y222-Y374 AromaticContact CE2-CD1 3.33Å; Y222-Y374 HydrophobicContact CE2-CD1 3.33Å; Y222-Y374 AromaticContact CE2-CE1 3.21Å; Y222-Y374 HydrophobicContact CE2-CE1 3.21Å; Y222-Y374 HydrophobicContact CE2-CG 4.16Å; Y222-Y374 AromaticContact CE2-CZ 3.92Å; Y222-Y374 HydrophobicContact CG-CE1 4.47Å; Y222-Y374 AromaticContact CZ-CD1 3.86Å; Y222-Y374 AromaticContact CZ-CE1 3.85Å; Y222-T377 PolarHBondContact OH-OG1 3.49Å | ||
| 223 | S | 74.1 | Confident | 65.8 | Low | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | trans | -104.5 | 113.2 | -179.4 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | E221 T225 K226 A227 | E221-S223 PolarHBondContact O-N 2.95Å; S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.49Å; S223-T225 PolarHBondContact OG-OG1 3.01Å; S223-K226 WeakPolarHBondContact O-CA 3.42Å; S223-K226 VanDerWaalsContact O-CB 3.27Å; S223-K226 WeakPolarHBondContact O-CB 3.45Å; S223-K226 PolarHBondContact O-N 2.81Å; S223-K226 PolarHBondContact OG-N 3.49Å; S223-A227 PolarHBondContact O-N 2.82Å | ||
| 224 | Y | 71.1 | Confident | 67.2 | Low | 84 Ų | 84 | 77.3 Ų | 77.3 | 33% | 0.329 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -55.6 | -42.9 | 173.2 | -70.1 | -97.3 | 0 | 0 | 0 | 111.9 | P57 Y222 K226 A227 F228 | P57-Y224 HydrophobicContact CB-CD1 3.84Å; P57-Y224 HydrophobicContact CB-CE1 3.26Å; P57-Y224 HydrophobicContact CG-CD1 3.54Å; P57-Y224 HydrophobicContact CG-CE1 3.39Å; Y222-Y224 HydrophobicContact CD1-CD2 4.28Å; Y222-Y224 HydrophobicContact CD1-CE2 4.25Å; Y222-Y224 HydrophobicContact CE1-CD1 4.24Å; Y222-Y224 HydrophobicContact CE1-CD2 4.36Å; Y222-Y224 HydrophobicContact CE1-CE1 4.39Å; Y222-Y224 HydrophobicContact CE1-CE2 4.46Å; Y222-Y224 HydrophobicContact CE1-CG 4.21Å; Y224-K226 PolarHBondContact O-N 3.31Å; Y224-A227 WeakPolarHBondContact O-CB 3.23Å; Y224-A227 PolarHBondContact O-N 3.38Å; Y224-A227 VanDerWaalsContact O-N 3.15Å; Y224-F228 PolarHBondContact O-N 3.02Å; Y224-F228 VanDerWaalsContact O-N 3.09Å |
| 225 | T | 76.6 | Confident | 68.3 | Low | 90 Ų | 90 | 72.1 Ų | 72.1 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -32.9 | 178.1 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | S223 K229 | S223-T225 VanDerWaalsContact C-N 3.25Å; S223-T225 PolarHBondContact O-N 3.49Å; S223-T225 PolarHBondContact OG-OG1 3.01Å; T225-K229 VanDerWaalsContact O-CB 3.3Å; T225-K229 WeakPolarHBondContact O-CB 3.49Å; T225-K229 WeakPolarHBondContact O-CG 3.2Å; T225-K229 PolarHBondContact O-N 3.36Å |
| 226 | K | 76.7 | Confident | 69.8 | Low | 85 Ų | 85 | 67.7 Ų | 67.7 | 37% | 0.37 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67.4 | -42.3 | 172.3 | -167.5 | 179.5 | 179.7 | -175.7 | 0 | 112.5 | S223 Y224 F228 K229 I230 | S223-K226 WeakPolarHBondContact O-CA 3.42Å; S223-K226 VanDerWaalsContact O-CB 3.27Å; S223-K226 WeakPolarHBondContact O-CB 3.45Å; S223-K226 PolarHBondContact O-N 2.81Å; S223-K226 PolarHBondContact OG-N 3.49Å; Y224-K226 PolarHBondContact O-N 3.31Å; K226-F228 PolarHBondContact O-N 3.5Å; K226-K229 PolarHBondContact O-N 2.89Å; K226-I230 HydrophobicContact CG-CD1 4.07Å; K226-I230 HydrophobicContact CG-CG1 4.48Å; K226-I230 VanDerWaalsContact O-CG1 3.27Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.32Å |
| 227 | A | 73.8 | Confident | 71.3 | Confident | 2 Ų | 2 | 64.9 Ų | 64.9 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y222 S223 Y224 I230 A231 Y374 T377 | Y222-A227 WeakPolarHBondContact OH-CB 3.2Å; S223-A227 PolarHBondContact O-N 2.82Å; Y224-A227 WeakPolarHBondContact O-CB 3.23Å; Y224-A227 PolarHBondContact O-N 3.38Å; Y224-A227 VanDerWaalsContact O-N 3.15Å; A227-I230 PolarHBondContact O-N 3.49Å; A227-A231 PolarHBondContact O-N 3.07Å; A227-A231 VanDerWaalsContact O-N 3.15Å; A227-Y374 HydrophobicContact CB-CD1 3.58Å; A227-Y374 HydrophobicContact CB-CE1 4.07Å; A227-T377 HydrophobicContact CB-CG2 3.77Å |
| 228 | F | 80 | Confident | 73.1 | Confident | 48 Ų | 48 | 59.5 Ų | 59.5 | 21% | 0.211 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175 | -90.9 | -90 | 0 | 0 | 0 | 112.6 | F54 Y224 K226 A231 L232 I381 | F54-F228 HydrophobicContact CD1-CZ 4.03Å; F54-F228 HydrophobicContact CE1-CE1 4.47Å; F54-F228 HydrophobicContact CE1-CZ 4.14Å; F54-F228 HydrophobicContact CG-CZ 4.46Å; Y224-F228 PolarHBondContact O-N 3.02Å; Y224-F228 VanDerWaalsContact O-N 3.09Å; K226-F228 PolarHBondContact O-N 3.5Å; F228-A231 PolarHBondContact O-N 3.16Å; F228-L232 HydrophobicContact CD1-CD1 4.16Å; F228-L232 WeakPolarHBondContact O-CB 3.39Å; F228-L232 PolarHBondContact O-N 3.42Å; F228-I381 HydrophobicContact CD1-CD1 3.98Å; F228-I381 HydrophobicContact CD2-CD1 4.34Å; F228-I381 HydrophobicContact CE1-CD1 4.12Å; F228-I381 HydrophobicContact CE1-CG1 4.19Å; F228-I381 HydrophobicContact CE2-CD1 4.47Å; F228-I381 HydrophobicContact CG-CD1 4.1Å; F228-I381 HydrophobicContact CZ-CD1 4.37Å; F228-I381 HydrophobicContact CZ-CG1 4.34Å |
| 229 | K | 82.2 | Confident | 74.9 | Confident | 137 Ų | 137 | 63.3 Ų | 63.3 | 60% | 0.596 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.5 | -40.4 | 175.8 | -80 | 175.6 | -180 | -173.9 | 0 | 112.4 | T225 K226 G233 D234 | T225-K229 VanDerWaalsContact O-CB 3.3Å; T225-K229 WeakPolarHBondContact O-CB 3.49Å; T225-K229 WeakPolarHBondContact O-CG 3.2Å; T225-K229 PolarHBondContact O-N 3.36Å; K226-K229 PolarHBondContact O-N 2.89Å; K229-G233 WeakPolarHBondContact O-CA 3.27Å; K229-G233 PolarHBondContact O-N 3.36Å; K229-D234 PolarHBondContact O-N 2.91Å; K229-D234 VanDerWaalsContact O-N 3.12Å |
| 230 | I | 75.3 | Confident | 76.9 | Confident | 22 Ų | 22 | 60.5 Ų | 60.5 | 11% | 0.113 | 31% | 0.306 | C | S | . | . | I | π-helix | trans | -62.2 | -46.7 | 175.5 | -68.8 | 163.9 | 0 | 0 | 0 | 110.2 | K226 A227 T370 Y374 | K226-I230 HydrophobicContact CG-CD1 4.07Å; K226-I230 HydrophobicContact CG-CG1 4.48Å; K226-I230 VanDerWaalsContact O-CG1 3.27Å; K226-I230 WeakPolarHBondContact O-CG1 3.35Å; K226-I230 PolarHBondContact O-N 3.32Å; A227-I230 PolarHBondContact O-N 3.49Å; I230-T370 HydrophobicContact CG2-CG2 3.65Å; I230-Y374 HydrophobicContact CD1-CD1 4.46Å; I230-Y374 HydrophobicContact CD1-CD2 4.33Å; I230-Y374 HydrophobicContact CD1-CG 4.24Å |
| 231 | A | 74.8 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | I | π-helix | trans | -66.7 | -39.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A227 F228 S238 I381 | A227-A231 PolarHBondContact O-N 3.07Å; A227-A231 VanDerWaalsContact O-N 3.15Å; F228-A231 PolarHBondContact O-N 3.16Å; A231-S238 WeakPolarHBondContact O-CB 3.4Å; A231-I381 HydrophobicContact CB-CB 4.4Å; A231-I381 HydrophobicContact CB-CD1 3.58Å; A231-I381 HydrophobicContact CB-CG2 4.08Å |
| 232 | L | 80 | Confident | 80.3 | Confident | 92 Ų | 92 | 46.8 Ų | 46.8 | 48% | 0.482 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -102 | -30.2 | -172.6 | -68.9 | 170.5 | 0 | 0 | 0 | 114.4 | F228 R239 I242 | F228-L232 HydrophobicContact CD1-CD1 4.16Å; F228-L232 WeakPolarHBondContact O-CB 3.39Å; F228-L232 PolarHBondContact O-N 3.42Å; L232-R239 WeakPolarHBondContact O-CD 3.32Å; L232-R239 VanDerWaalsContact O-CG 3.23Å; L232-R239 WeakPolarHBondContact O-CG 3.43Å; L232-I242 HydrophobicContact CD2-CD1 3.81Å |
| 233 | G | 75.4 | Confident | 81.8 | Confident | 43 Ų | 43 | 48.6 Ų | 48.6 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | I | π-helix | trans | -104.7 | -53.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K229 | K229-G233 WeakPolarHBondContact O-CA 3.27Å; K229-G233 PolarHBondContact O-N 3.36Å |
| 234 | D | 75.1 | Confident | 82.8 | Confident | 119 Ų | 119 | 46.6 Ų | 46.6 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | I | π-helix | trans | -80.2 | -36.5 | -163.6 | -59.4 | -23.1 | 0 | 0 | 0 | 112.9 | K229 | K229-D234 PolarHBondContact O-N 2.91Å; K229-D234 VanDerWaalsContact O-N 3.12Å |
| 235 | S | 76.3 | Confident | 84 | Confident | 4 Ų | 4 | 42.7 Ų | 42.7 | 3% | 0.028 | 23% | 0.228 | C | C | . | . | trans | -93.9 | 117.5 | -179.3 | -177.5 | 0 | 0 | 0 | 0 | 113.1 | G237 S238 R239 E369 | S235-G237 PolarHBondContact O-N 2.96Å; S235-G237 PolarHBondContact OG-N 2.75Å; S235-S238 WeakPolarHBondContact CB-OG 3.36Å; S235-S238 PolarHBondContact OG-N 3.41Å; S235-S238 VanDerWaalsContact OG-N 3.09Å; S235-S238 PolarHBondContact OG-OG 2.86Å; S235-R239 PolarHBondContact O-N 3Å; S235-E369 WeakPolarHBondContact CB-OE2 3.4Å; S235-E369 WeakPolarHBondContact OG-CG 3.21Å; S235-E369 PolarHBondContact OG-OE2 2.9Å | ||
| 236 | G | 81.4 | Confident | 85 | Confident | 26 Ų | 26 | 41 Ų | 41 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -32.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113 | C240 | G236-C240 PolarHBondContact O-N 3.46Å; G236-C240 PolarHBondContact O-SG 2.93Å |
| 237 | G | 87.1 | Confident | 85.9 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69 | -50.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S235 R239 C240 L241 | S235-G237 PolarHBondContact O-N 2.96Å; S235-G237 PolarHBondContact OG-N 2.75Å; G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 2.93Å; G237-C240 PolarHBondContact O-N 2.75Å; G237-L241 PolarHBondContact O-N 3.39Å |
| 238 | S | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | A231 S235 C240 L241 I242 C365 H378 | A231-S238 WeakPolarHBondContact O-CB 3.4Å; S235-S238 WeakPolarHBondContact CB-OG 3.36Å; S235-S238 PolarHBondContact OG-N 3.41Å; S235-S238 VanDerWaalsContact OG-N 3.09Å; S235-S238 PolarHBondContact OG-OG 2.86Å; S238-C240 PolarHBondContact O-N 3.18Å; S238-L241 PolarHBondContact O-N 2.76Å; S238-I242 VanDerWaalsContact O-CG1 3.28Å; S238-I242 WeakPolarHBondContact O-CG1 3.4Å; S238-I242 PolarHBondContact O-N 2.91Å; S238-C365 PolarHBondContact OG-SG 3.25Å; S238-C365 VanDerWaalsContact OG-SG 3.37Å; S238-H378 PolarHBondContact OG-CE1 3.12Å; S238-H378 PolarHBondContact OG-NE2 3.38Å |
| 239 | R | 90.9 | Very high | 87.6 | Confident | 132 Ų | 132 | 37 Ų | 37 | 50% | 0.498 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 176.4 | -75.5 | -173.8 | -73.3 | 176.1 | -4.4 | 113.2 | L232 S235 G237 L241 I242 V243 | L232-R239 WeakPolarHBondContact O-CD 3.32Å; L232-R239 VanDerWaalsContact O-CG 3.23Å; L232-R239 WeakPolarHBondContact O-CG 3.43Å; S235-R239 PolarHBondContact O-N 3Å; G237-R239 VanDerWaalsContact C-N 3.31Å; G237-R239 PolarHBondContact O-N 2.93Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.2Å; R239-I242 PolarHBondContact O-N 3.06Å; R239-V243 WeakPolarHBondContact O-CG2 3.45Å; R239-V243 PolarHBondContact O-N 3.3Å; R239-V243 VanDerWaalsContact O-N 3.16Å |
| 240 | C | 92.6 | Very high | 88.2 | Confident | 12 Ų | 12 | 31.6 Ų | 31.6 | 8% | 0.081 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.9 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | G236 G237 S238 L244 Y423 K430 F431 | G236-C240 PolarHBondContact O-N 3.46Å; G236-C240 PolarHBondContact O-SG 2.93Å; G237-C240 PolarHBondContact O-N 2.75Å; S238-C240 PolarHBondContact O-N 3.18Å; C240-L244 PolarHBondContact O-N 3.34Å; C240-L244 VanDerWaalsContact O-N 3.13Å; C240-Y423 WeakPolarHBondContact CA-OH 2.92Å; C240-Y423 PolarHBondContact O-OH 3.2Å; C240-K430 WeakPolarHBondContact SG-CB 3.25Å; C240-F431 HydrophobicContact CB-CE1 4.4Å; C240-F431 HydrophobicContact CB-CZ 4.3Å |
| 241 | L | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.2 | -44.4 | 175.8 | -173.9 | 58.1 | 0 | 0 | 0 | 111.7 | G237 S238 R239 V243 L244 L245 M362 C365 L382 F431 F433 | G237-L241 PolarHBondContact O-N 3.39Å; S238-L241 PolarHBondContact O-N 2.76Å; R239-L241 VanDerWaalsContact C-N 3.29Å; R239-L241 PolarHBondContact O-N 3.2Å; L241-V243 VanDerWaalsContact C-N 3.33Å; L241-V243 PolarHBondContact O-N 3.48Å; L241-L244 HydrophobicContact CD1-CD2 4.44Å; L241-L244 CarbonylContact O-C 3.22Å; L241-L244 WeakPolarHBondContact O-CA 3.33Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 3.07Å; L241-L244 VanDerWaalsContact O-N 3.1Å; L241-L245 HydrophobicContact CD1-CD2 4.46Å; L241-L245 HydrophobicContact CD1-CG 4.24Å; L241-L245 HydrophobicContact CG-CD1 4.03Å; L241-L245 HydrophobicContact CG-CG 4.2Å; L241-L245 WeakPolarHBondContact O-CB 3.42Å; L241-L245 WeakPolarHBondContact O-CG 3.26Å; L241-L245 PolarHBondContact O-N 3.2Å; L241-M362 HydrophobicContact CD2-CG 4.07Å; L241-C365 HydrophobicContact CD2-CB 3.76Å; L241-L382 HydrophobicContact CD2-CD1 4Å; L241-F431 HydrophobicContact CB-CE1 4.45Å; L241-F431 HydrophobicContact CD1-CE1 4.33Å; L241-F433 HydrophobicContact CB-CE1 4.32Å; L241-F433 HydrophobicContact CB-CZ 4.39Å; L241-F433 HydrophobicContact CD2-CZ 4.02Å |
| 242 | I | 94.9 | Very high | 89.9 | Confident | 20 Ų | 20 | 31.1 Ų | 31.1 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.1 | -46.5 | 176.9 | -73.4 | 167.9 | 0 | 0 | 0 | 111.4 | L232 S238 R239 L244 L245 L246 L382 A385 | L232-I242 HydrophobicContact CD2-CD1 3.81Å; S238-I242 VanDerWaalsContact O-CG1 3.28Å; S238-I242 WeakPolarHBondContact O-CG1 3.4Å; S238-I242 PolarHBondContact O-N 2.91Å; R239-I242 PolarHBondContact O-N 3.06Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.9Å; I242-L245 PolarHBondContact O-N 2.93Å; I242-L246 HydrophobicContact CG2-CD1 4.05Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 3.12Å; I242-L382 HydrophobicContact CD1-CD2 4.14Å; I242-L382 HydrophobicContact CG1-CD2 3.53Å; I242-A385 HydrophobicContact CG2-CB 4.08Å |
| 243 | V | 95 | Very high | 90.5 | Very high | 61 Ų | 61 | 27.4 Ų | 27.4 | 37% | 0.37 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 177.3 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | R239 L241 L245 L246 I247 Y423 | R239-V243 WeakPolarHBondContact O-CG2 3.45Å; R239-V243 PolarHBondContact O-N 3.3Å; R239-V243 VanDerWaalsContact O-N 3.16Å; L241-V243 VanDerWaalsContact C-N 3.33Å; L241-V243 PolarHBondContact O-N 3.48Å; V243-L245 PolarHBondContact O-N 3.46Å; V243-L246 PolarHBondContact O-N 3.22Å; V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 2.85Å; V243-Y423 HydrophobicContact CB-CE1 4.4Å; V243-Y423 HydrophobicContact CB-CE2 4.09Å; V243-Y423 HydrophobicContact CG1-CD2 3.99Å; V243-Y423 HydrophobicContact CG1-CE1 4.27Å; V243-Y423 HydrophobicContact CG1-CE2 3.4Å |
| 244 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 175.2 | -179.8 | 59.7 | 0 | 0 | 0 | 111.7 | C240 L241 I242 L246 I247 Y248 M310 I358 P420 Y423 V424 F431 | C240-L244 PolarHBondContact O-N 3.34Å; C240-L244 VanDerWaalsContact O-N 3.13Å; L241-L244 HydrophobicContact CD1-CD2 4.44Å; L241-L244 CarbonylContact O-C 3.22Å; L241-L244 WeakPolarHBondContact O-CA 3.33Å; L241-L244 WeakPolarHBondContact O-CB 3.43Å; L241-L244 PolarHBondContact O-N 3.07Å; L241-L244 VanDerWaalsContact O-N 3.1Å; I242-L244 VanDerWaalsContact C-N 3.33Å; I242-L244 PolarHBondContact O-N 2.9Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.3Å; L244-I247 PolarHBondContact O-N 3.44Å; L244-I247 VanDerWaalsContact O-N 3.14Å; L244-Y248 WeakPolarHBondContact O-CB 3.48Å; L244-Y248 WeakPolarHBondContact O-CD1 3.46Å; L244-Y248 PolarHBondContact O-N 3.01Å; L244-M310 HydrophobicContact CD1-CE 4.22Å; L244-I358 HydrophobicContact CD2-CD1 3.85Å; L244-I358 HydrophobicContact CG-CD1 4.37Å; L244-P420 HydrophobicContact CD1-CB 4.2Å; L244-Y423 HydrophobicContact CB-CD1 4.32Å; L244-Y423 HydrophobicContact CB-CE1 4.11Å; L244-Y423 HydrophobicContact CD1-CD1 4.3Å; L244-V424 HydrophobicContact CD1-CG2 3.58Å; L244-V424 HydrophobicContact CD2-CG2 4Å; L244-V424 HydrophobicContact CG-CG2 4.43Å; L244-F431 HydrophobicContact CB-CZ 4.45Å; L244-F431 HydrophobicContact CD2-CE1 4.11Å; L244-F431 HydrophobicContact CD2-CZ 3.94Å |
| 245 | L | 96.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 179.7 | -69.2 | 175.2 | 0 | 0 | 0 | 112.3 | L241 I242 V243 I247 Y248 I358 M362 L382 E386 | L241-L245 HydrophobicContact CD1-CD2 4.46Å; L241-L245 HydrophobicContact CD1-CG 4.24Å; L241-L245 HydrophobicContact CG-CD1 4.03Å; L241-L245 HydrophobicContact CG-CG 4.2Å; L241-L245 WeakPolarHBondContact O-CB 3.42Å; L241-L245 WeakPolarHBondContact O-CG 3.26Å; L241-L245 PolarHBondContact O-N 3.2Å; I242-L245 PolarHBondContact O-N 2.93Å; V243-L245 PolarHBondContact O-N 3.46Å; L245-I247 VanDerWaalsContact C-N 3.34Å; L245-I247 PolarHBondContact O-N 2.87Å; L245-Y248 HydrophobicContact CD2-CE1 4.09Å; L245-Y248 WeakPolarHBondContact O-CD1 3.32Å; L245-I358 HydrophobicContact CD2-CG2 3.29Å; L245-M362 HydrophobicContact CD1-CG 3.92Å; L245-M362 HydrophobicContact CD1-SD 3.96Å; L245-M362 HydrophobicContact CD2-CG 4.02Å; L245-M362 HydrophobicContact CD2-SD 3.57Å; L245-M362 VanDerWaalsContact CD2-SD 3.57Å; L245-M362 HydrophobicContact CG-SD 4.44Å; L245-L382 HydrophobicContact CD1-CB 3.87Å; L245-L382 HydrophobicContact CD1-CD2 4.12Å; L245-L382 WeakPolarHBondContact CD1-O 3.47Å; L245-E386 HydrophobicContact CB-CB 4.14Å; L245-E386 HydrophobicContact CD2-CB 4.09Å; L245-E386 HydrophobicContact CD2-CG 3.96Å; L245-E386 HydrophobicContact CG-CB 4.47Å |
| 246 | L | 95.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 19.8 Ų | 19.8 | 29% | 0.288 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -68.3 | -31 | 177.2 | -71.1 | 165.4 | 0 | 0 | 0 | 113.2 | I242 V243 L244 A385 L388 G389 | I242-L246 HydrophobicContact CG2-CD1 4.05Å; I242-L246 WeakPolarHBondContact O-CG 3.37Å; I242-L246 PolarHBondContact O-N 3.12Å; V243-L246 PolarHBondContact O-N 3.22Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.3Å; L246-A385 HydrophobicContact CD2-CB 4.47Å; L246-A385 VanDerWaalsContact CD2-O 3.29Å; L246-A385 WeakPolarHBondContact CD2-O 3.43Å; L246-L388 HydrophobicContact CD2-CB 4.03Å; L246-L388 HydrophobicContact CD2-CD2 3.87Å; L246-L388 HydrophobicContact CD2-CG 4.12Å; L246-G389 VanDerWaalsContact O-CA 3.23Å; L246-G389 WeakPolarHBondContact O-CA 3.43Å |
| 247 | I | 95.8 | Very high | 93.6 | Very high | 36 Ų | 36 | 19.4 Ų | 19.4 | 19% | 0.185 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -107.6 | -25.2 | -169.6 | 68.9 | 180 | 0 | 0 | 0 | 114.5 | V243 L244 L245 K249 L250 P420 Y423 | V243-I247 WeakPolarHBondContact O-CG1 3.42Å; V243-I247 PolarHBondContact O-N 2.85Å; L244-I247 PolarHBondContact O-N 3.44Å; L244-I247 VanDerWaalsContact O-N 3.14Å; L245-I247 VanDerWaalsContact C-N 3.34Å; L245-I247 PolarHBondContact O-N 2.87Å; I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 2.88Å; I247-L250 HydrophobicContact CB-CD1 4.04Å; I247-L250 HydrophobicContact CG2-CD1 4.17Å; I247-L250 WeakPolarHBondContact O-CG 3.47Å; I247-L250 PolarHBondContact O-N 3.27Å; I247-P420 HydrophobicContact CD1-CB 4.39Å; I247-P420 HydrophobicContact CG1-CB 4.14Å; I247-Y423 HydrophobicContact CD1-CD1 4.31Å; I247-Y423 HydrophobicContact CD1-CD2 4.31Å; I247-Y423 HydrophobicContact CD1-CG 3.86Å |
| 248 | Y | 96 | Very high | 94 | Very high | 2 Ų | 2 | 19.4 Ų | 19.4 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -29.5 | -165 | 87.1 | -77.9 | 0 | 0 | 0 | 115.2 | L244 L245 M310 R313 I354 I358 E386 | L244-Y248 WeakPolarHBondContact O-CB 3.48Å; L244-Y248 WeakPolarHBondContact O-CD1 3.46Å; L244-Y248 PolarHBondContact O-N 3.01Å; L245-Y248 HydrophobicContact CD2-CE1 4.09Å; L245-Y248 WeakPolarHBondContact O-CD1 3.32Å; Y248-M310 HydrophobicContact CD2-CE 4.05Å; Y248-M310 HydrophobicContact CG-CE 4.21Å; Y248-R313 PolarHBondContact O-NH1 3.2Å; Y248-R313 PolarHBondContact O-NH2 2.88Å; Y248-R313 VanDerWaalsContact O-NH2 3.08Å; Y248-I354 HydrophobicContact CD2-CG2 3.77Å; Y248-I354 HydrophobicContact CE2-CG2 3.83Å; Y248-I358 HydrophobicContact CD2-CG1 4.28Å; Y248-I358 HydrophobicContact CE1-CG2 4.15Å; Y248-I358 HydrophobicContact CE2-CB 4.49Å; Y248-I358 HydrophobicContact CE2-CG1 4Å; Y248-E386 HydrophobicContact CE1-CG 3.76Å; Y248-E386 PolarHBondContact OH-OE1 2.66Å |
| 249 | K | 95.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 19.4 Ų | 19.4 | 5% | 0.052 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.4 | 177.8 | -66.8 | -134.2 | -173.5 | -160 | 0 | 114.5 | I247 G251 E252 Q253 T355 K390 | I247-K249 VanDerWaalsContact C-N 3.32Å; I247-K249 PolarHBondContact O-N 2.88Å; K249-G251 PolarHBondContact O-N 2.9Å; K249-E252 WeakPolarHBondContact CD-OE2 3.29Å; K249-E252 PolarHBondContact O-N 2.94Å; K249-Q253 HydrophobicContact CB-CB 4.46Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 PolarHBondContact O-N 3.25Å; K249-T355 PolarHBondContact NZ-OG1 2.78Å; K249-K390 HydrophobicContact CB-CG 3.91Å; K249-K390 HydrophobicContact CD-CD 3.97Å; K249-K390 HydrophobicContact CD-CG 4.17Å; K249-K390 HydrophobicContact CG-CG 4.38Å |
| 250 | L | 93.1 | Very high | 94.5 | Very high | 25 Ų | 25 | 13.2 Ų | 13.2 | 13% | 0.131 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -50 | -60.4 | -170.4 | -67.4 | 173.8 | 0 | 0 | 0 | 112.7 | I247 E252 G254 G389 F393 L416 | I247-L250 HydrophobicContact CB-CD1 4.04Å; I247-L250 HydrophobicContact CG2-CD1 4.17Å; I247-L250 WeakPolarHBondContact O-CG 3.47Å; I247-L250 PolarHBondContact O-N 3.27Å; L250-E252 PolarHBondContact O-N 3.44Å; L250-G254 PolarHBondContact O-N 3.29Å; L250-G254 VanDerWaalsContact O-N 3.14Å; L250-G389 WeakPolarHBondContact CD2-O 3.43Å; L250-F393 HydrophobicContact CB-CD1 4.36Å; L250-F393 HydrophobicContact CB-CG 4.38Å; L250-F393 HydrophobicContact CD2-CB 3.39Å; L250-F393 HydrophobicContact CD2-CD1 4.36Å; L250-F393 HydrophobicContact CD2-CD2 4.19Å; L250-F393 HydrophobicContact CD2-CG 3.71Å; L250-F393 WeakPolarHBondContact O-CD1 3.33Å; L250-F393 WeakPolarHBondContact O-CE1 3.03Å; L250-L416 HydrophobicContact CB-CB 4.15Å; L250-L416 HydrophobicContact CB-CD1 4.49Å; L250-L416 HydrophobicContact CD1-CD2 4.49Å |
| 251 | G | 93.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K249 S255 Q317 F413 | K249-G251 PolarHBondContact O-N 2.9Å; G251-S255 PolarHBondContact O-N 3.42Å; G251-S255 PolarHBondContact O-OG 3.29Å; G251-Q317 PolarHBondContact O-NE2 3.37Å; G251-F413 WeakPolarHBondContact CA-O 3.27Å; G251-F413 WeakPolarHBondContact O-CB 3.35Å |
| 252 | E | 93.9 | Very high | 94.8 | Very high | 12 Ų | 12 | 13.1 Ų | 13.1 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -70.7 | -46.4 | 179.4 | 171.6 | -111.6 | -174.3 | 0 | 0 | 111.7 | K249 L250 G254 S255 M256 S351 | K249-E252 WeakPolarHBondContact CD-OE2 3.29Å; K249-E252 PolarHBondContact O-N 2.94Å; L250-E252 PolarHBondContact O-N 3.44Å; E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.31Å; E252-S255 PolarHBondContact O-N 3.1Å; E252-S255 VanDerWaalsContact O-N 3.12Å; E252-M256 HydrophobicContact CG-CG 3.92Å; E252-M256 WeakPolarHBondContact O-CB 3.42Å; E252-M256 VanDerWaalsContact O-CG 3.28Å; E252-M256 WeakPolarHBondContact O-CG 3.3Å; E252-M256 PolarHBondContact O-N 3.24Å; E252-S351 WeakPolarHBondContact CG-OG 3.42Å; E252-S351 VanDerWaalsContact OE1-CB 3.27Å; E252-S351 WeakPolarHBondContact OE1-CB 3.49Å; E252-S351 PolarHBondContact OE1-OG 3.15Å; E252-S351 VanDerWaalsContact OE1-OG 3.11Å |
| 253 | Q | 92.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 12.1 Ų | 12.1 | 6% | 0.061 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.5 | -37.9 | -179.7 | -168 | 68.1 | 48.2 | 0 | 0 | 111.7 | K249 N257 K390 | K249-Q253 HydrophobicContact CB-CB 4.46Å; K249-Q253 WeakPolarHBondContact O-CB 3.31Å; K249-Q253 PolarHBondContact O-N 3.25Å; Q253-N257 PolarHBondContact NE2-ND2 3.24Å; Q253-N257 PolarHBondContact NE2-OD1 2.87Å; Q253-N257 WeakPolarHBondContact O-CB 3.47Å; Q253-N257 PolarHBondContact O-N 2.95Å; Q253-N257 PolarHBondContact O-ND2 3.13Å; Q253-K390 HydrophobicContact CG-CB 4.01Å; Q253-K390 HydrophobicContact CG-CG 4.21Å |
| 254 | G | 93.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.3 | -53.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L250 E252 M256 N257 M258 F413 | L250-G254 PolarHBondContact O-N 3.29Å; L250-G254 VanDerWaalsContact O-N 3.14Å; E252-G254 VanDerWaalsContact C-N 3.28Å; E252-G254 PolarHBondContact O-N 3.31Å; G254-M256 PolarHBondContact O-N 3.04Å; G254-N257 PolarHBondContact O-N 2.88Å; G254-M258 WeakPolarHBondContact O-CB 3.2Å; G254-M258 WeakPolarHBondContact O-CG 3.37Å; G254-M258 PolarHBondContact O-N 3.25Å; G254-F413 WeakPolarHBondContact O-CE2 3.38Å |
| 255 | S | 94.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60 | -48.5 | -179.3 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | G251 E252 N257 M258 L259 Q317 Y410 F413 | G251-S255 PolarHBondContact O-N 3.42Å; G251-S255 PolarHBondContact O-OG 3.29Å; E252-S255 PolarHBondContact O-N 3.1Å; E252-S255 VanDerWaalsContact O-N 3.12Å; S255-N257 VanDerWaalsContact C-N 3.35Å; S255-N257 PolarHBondContact O-N 3.23Å; S255-M258 PolarHBondContact O-N 3.32Å; S255-L259 WeakPolarHBondContact O-CB 3.42Å; S255-L259 PolarHBondContact O-N 3.36Å; S255-Q317 PolarHBondContact OG-NE2 2.98Å; S255-Y410 PolarHBondContact O-OH 2.94Å; S255-F413 VanDerWaalsContact N-CD2 3.35Å; S255-F413 WeakPolarHBondContact OG-CB 3.21Å |
| 256 | M | 92.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69.2 | -32.2 | -176.7 | -64.6 | -56.5 | 99.5 | 0 | 0 | 112.6 | R23 E252 G254 P260 L320 M344 L347 L348 | R23-M256 PolarHBondContact NH1-O 3.47Å; R23-M256 PolarHBondContact NH2-O 3.2Å; E252-M256 HydrophobicContact CG-CG 3.92Å; E252-M256 WeakPolarHBondContact O-CB 3.42Å; E252-M256 VanDerWaalsContact O-CG 3.28Å; E252-M256 WeakPolarHBondContact O-CG 3.3Å; E252-M256 PolarHBondContact O-N 3.24Å; G254-M256 PolarHBondContact O-N 3.04Å; M256-P260 VanDerWaalsContact O-CD 3.29Å; M256-P260 WeakPolarHBondContact O-CD 3.48Å; M256-L320 HydrophobicContact CE-CD2 4.06Å; M256-M344 HydrophobicContact CE-CB 4.39Å; M256-M344 HydrophobicContact CE-CG 3.7Å; M256-M344 HydrophobicContact SD-CG 3.41Å; M256-M344 WeakPolarHBondContact SD-CG 3.24Å; M256-M344 HydrophobicContact SD-SD 4.44Å; M256-L347 HydrophobicContact CE-CB 4.35Å; M256-L347 HydrophobicContact CE-CD1 3.94Å; M256-L348 HydrophobicContact CG-CD2 4Å; M256-L348 HydrophobicContact SD-CD1 4.03Å; M256-L348 HydrophobicContact SD-CD2 3.71Å; M256-L348 HydrophobicContact SD-CG 3.65Å |
| 257 | N | 92.9 | Very high | 94.5 | Very high | 18 Ų | 18 | 16.6 Ų | 16.6 | 10% | 0.096 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -75 | -37.9 | 175.3 | -73.9 | -14 | 0 | 0 | 0 | 112.2 | K43 Q253 G254 S255 | K43-N257 PolarHBondContact NZ-ND2 3.07Å; K43-N257 VanDerWaalsContact NZ-ND2 3.11Å; Q253-N257 PolarHBondContact NE2-ND2 3.24Å; Q253-N257 PolarHBondContact NE2-OD1 2.87Å; Q253-N257 WeakPolarHBondContact O-CB 3.47Å; Q253-N257 PolarHBondContact O-N 2.95Å; Q253-N257 PolarHBondContact O-ND2 3.13Å; G254-N257 PolarHBondContact O-N 2.88Å; S255-N257 VanDerWaalsContact C-N 3.35Å; S255-N257 PolarHBondContact O-N 3.23Å |
| 258 | M | 95.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.015 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -84.8 | -27.5 | -174.1 | -69.1 | -59.4 | 99.2 | 0 | 0 | 113.4 | G254 S255 L261 M262 A398 T401 Y406 Y410 F413 | G254-M258 WeakPolarHBondContact O-CB 3.2Å; G254-M258 WeakPolarHBondContact O-CG 3.37Å; G254-M258 PolarHBondContact O-N 3.25Å; S255-M258 PolarHBondContact O-N 3.32Å; M258-L261 HydrophobicContact CE-CD1 3.66Å; M258-L261 PolarHBondContact O-N 2.92Å; M258-L261 HydrophobicContact SD-CD1 4.34Å; M258-M262 WeakPolarHBondContact O-CB 3.41Å; M258-M262 PolarHBondContact O-N 3.14Å; M258-A398 HydrophobicContact CE-CB 3.99Å; M258-A398 HydrophobicContact SD-CB 4.47Å; M258-T401 HydrophobicContact SD-CG2 4.18Å; M258-Y406 HydrophobicContact CB-CE1 4.33Å; M258-Y410 HydrophobicContact CB-CE2 4.08Å; M258-F413 HydrophobicContact CB-CE2 4.14Å; M258-F413 HydrophobicContact CG-CE2 3.86Å; M258-F413 HydrophobicContact CG-CZ 3.91Å |
| 259 | L | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57 | -50.9 | -177.8 | -174.1 | 60.4 | 0 | 0 | 0 | 113.4 | S255 L261 M262 L263 L320 M344 Y410 | S255-L259 WeakPolarHBondContact O-CB 3.42Å; S255-L259 PolarHBondContact O-N 3.36Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3.2Å; L259-M262 HydrophobicContact CD1-CE 3.33Å; L259-M262 WeakPolarHBondContact O-CB 3.37Å; L259-M262 PolarHBondContact O-N 3.43Å; L259-M262 VanDerWaalsContact O-N 3.1Å; L259-L263 HydrophobicContact CD1-CD2 4.16Å; L259-L263 HydrophobicContact CD1-CG 4.14Å; L259-L263 HydrophobicContact CG-CD1 4.29Å; L259-L263 HydrophobicContact CG-CG 4.28Å; L259-L263 WeakPolarHBondContact O-CG 3.2Å; L259-L263 PolarHBondContact O-N 3.09Å; L259-L320 HydrophobicContact CD1-CD1 4.33Å; L259-L320 HydrophobicContact CD2-CD1 4.23Å; L259-M344 HydrophobicContact CD2-CB 3.38Å; L259-M344 HydrophobicContact CD2-CG 3.58Å; L259-M344 HydrophobicContact CD2-SD 3.67Å; L259-Y410 WeakPolarHBondContact CA-OH 3.49Å; L259-Y410 WeakPolarHBondContact CB-OH 3.39Å; L259-Y410 PolarHBondContact N-OH 3.31Å; L259-Y410 VanDerWaalsContact N-OH 3.1Å |
| 260 | P | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.013 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | -179.4 | -18.5 | 29.5 | 0 | 0 | 0 | 112.4 | R23 L27 M256 M262 L263 L264 V273 T277 | R23-P260 VanDerWaalsContact NH1-CG 3.33Å; L27-P260 HydrophobicContact CD2-CB 3.94Å; M256-P260 VanDerWaalsContact O-CD 3.29Å; M256-P260 WeakPolarHBondContact O-CD 3.48Å; P260-M262 VanDerWaalsContact C-N 3.34Å; P260-L263 PolarHBondContact O-N 3.37Å; P260-L264 WeakPolarHBondContact O-CB 3.33Å; P260-L264 PolarHBondContact O-N 2.95Å; P260-V273 HydrophobicContact CB-CG1 3.72Å; P260-V273 WeakPolarHBondContact O-CG1 3.44Å; P260-T277 HydrophobicContact CB-CG2 4.26Å; P260-T277 WeakPolarHBondContact CB-OG1 3.35Å; P260-T277 HydrophobicContact CG-CG2 4.18Å; P260-T277 WeakPolarHBondContact CG-OG1 3.44Å |
| 261 | L | 95.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 19.6 Ų | 19.6 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.3 | -41.2 | 177.5 | -53.6 | -178.7 | 0 | 0 | 0 | 110.5 | L27 R30 L36 L39 M258 L259 L263 L264 D265 | L27-L261 HydrophobicContact CD2-CD2 4.31Å; R30-L261 HydrophobicContact CB-CD2 3.94Å; R30-L261 HydrophobicContact CG-CD2 4.08Å; L36-L261 HydrophobicContact CD2-CB 3.99Å; L36-L261 HydrophobicContact CD2-CD1 3.64Å; L36-L261 HydrophobicContact CD2-CG 4.41Å; L39-L261 HydrophobicContact CD1-CD1 4.08Å; L39-L261 HydrophobicContact CD1-CD2 4.23Å; M258-L261 HydrophobicContact CE-CD1 3.66Å; M258-L261 PolarHBondContact O-N 2.92Å; M258-L261 HydrophobicContact SD-CD1 4.34Å; L259-L261 VanDerWaalsContact C-N 3.27Å; L259-L261 PolarHBondContact O-N 3.2Å; L261-L263 PolarHBondContact O-N 3.46Å; L261-L264 PolarHBondContact O-N 2.84Å; L261-D265 WeakPolarHBondContact O-CB 3.35Å; L261-D265 VanDerWaalsContact O-CG 3.23Å; L261-D265 PolarHBondContact O-N 2.57Å |
| 262 | M | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.5 | -171 | 176.6 | 70.7 | 0 | 0 | 112.2 | M258 L259 P260 R266 A324 Y406 Y410 | M258-M262 WeakPolarHBondContact O-CB 3.41Å; M258-M262 PolarHBondContact O-N 3.14Å; L259-M262 HydrophobicContact CD1-CE 3.33Å; L259-M262 WeakPolarHBondContact O-CB 3.37Å; L259-M262 PolarHBondContact O-N 3.43Å; L259-M262 VanDerWaalsContact O-N 3.1Å; P260-M262 VanDerWaalsContact C-N 3.34Å; M262-R266 VanDerWaalsContact CG-CZ 3.46Å; M262-R266 VanDerWaalsContact O-CB 3.31Å; M262-R266 WeakPolarHBondContact O-CB 3.05Å; M262-R266 WeakPolarHBondContact O-CD 3.34Å; M262-R266 WeakPolarHBondContact O-CG 3.4Å; M262-R266 PolarHBondContact O-N 3.37Å; M262-R266 VanDerWaalsContact O-N 3.11Å; M262-R266 PolarHBondContact SD-NH1 3.22Å; M262-R266 PolarHBondContact SD-NH2 3.25Å; M262-R266 VanDerWaalsContact SD-NH2 3.44Å; M262-A324 HydrophobicContact CE-CB 4.42Å; M262-A324 HydrophobicContact SD-CB 4.01Å; M262-Y406 VanDerWaalsContact CA-CZ 3.44Å; M262-Y406 WeakPolarHBondContact CA-OH 3.42Å; M262-Y406 HydrophobicContact CB-CD1 3.68Å; M262-Y406 HydrophobicContact CB-CD2 4.27Å; M262-Y406 HydrophobicContact CB-CE1 3.47Å; M262-Y406 VanDerWaalsContact CB-CE1 3.47Å; M262-Y406 HydrophobicContact CB-CE2 4.08Å; M262-Y406 HydrophobicContact CB-CG 4.08Å; M262-Y406 HydrophobicContact CG-CD1 3.74Å; M262-Y406 HydrophobicContact CG-CD2 3.73Å; M262-Y406 HydrophobicContact CG-CE1 3.98Å; M262-Y406 HydrophobicContact CG-CE2 3.94Å; M262-Y406 HydrophobicContact CG-CG 3.62Å; M262-Y406 PolarHBondContact N-OH 3.36Å; M262-Y406 HydrophobicContact SD-CD1 3.86Å; M262-Y406 HydrophobicContact SD-CD2 4.29Å; M262-Y406 HydrophobicContact SD-CG 3.67Å; M262-Y410 HydrophobicContact SD-CE2 4.28Å |
| 263 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 177.4 | -61.6 | -178.9 | 0 | 0 | 0 | 111 | L259 P260 L261 R266 F268 V273 T277 W329 F337 | L259-L263 HydrophobicContact CD1-CD2 4.16Å; L259-L263 HydrophobicContact CD1-CG 4.14Å; L259-L263 HydrophobicContact CG-CD1 4.29Å; L259-L263 HydrophobicContact CG-CG 4.28Å; L259-L263 WeakPolarHBondContact O-CG 3.2Å; L259-L263 PolarHBondContact O-N 3.09Å; P260-L263 PolarHBondContact O-N 3.37Å; L261-L263 PolarHBondContact O-N 3.46Å; L263-R266 PolarHBondContact O-N 3.02Å; L263-F268 WeakPolarHBondContact O-CB 3.45Å; L263-F268 WeakPolarHBondContact O-CD2 3.47Å; L263-F268 PolarHBondContact O-N 2.63Å; L263-V273 HydrophobicContact CB-CG1 4.34Å; L263-V273 HydrophobicContact CB-CG2 3.71Å; L263-T277 HydrophobicContact CD1-CG2 3.57Å; L263-W329 HydrophobicContact CD2-CH2 3.41Å; L263-W329 VanDerWaalsContact CD2-CH2 3.41Å; L263-W329 HydrophobicContact CD2-CZ2 4.29Å; L263-W329 HydrophobicContact CD2-CZ3 4.13Å; L263-F337 HydrophobicContact CD1-CD2 4.15Å; L263-F337 HydrophobicContact CD1-CE2 3.9Å; L263-F337 HydrophobicContact CD2-CD2 3.96Å; L263-F337 HydrophobicContact CG-CD2 4.45Å |
| 264 | L | 95.4 | Very high | 94.8 | Very high | 19 Ų | 19 | 21.5 Ų | 21.5 | 10% | 0.099 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.4 | -47.5 | 177 | -174.9 | 62.6 | 0 | 0 | 0 | 111.6 | L27 R30 N31 P260 L261 R266 G267 F268 | L27-L264 HydrophobicContact CD2-CD2 4.21Å; R30-L264 HydrophobicContact CB-CD2 3.82Å; R30-L264 HydrophobicContact CG-CD2 3.75Å; N31-L264 HydrophobicContact CB-CD2 4.12Å; P260-L264 WeakPolarHBondContact O-CB 3.33Å; P260-L264 PolarHBondContact O-N 2.95Å; L261-L264 PolarHBondContact O-N 2.84Å; L264-R266 PolarHBondContact O-N 3.37Å; L264-G267 PolarHBondContact O-N 3.1Å; L264-F268 WeakPolarHBondContact CD1-O 3.14Å |
| 265 | D | 95.2 | Very high | 95 | Very high | 67 Ų | 67 | 25 Ų | 25 | 36% | 0.358 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -60.3 | -26.6 | 176.3 | -78.2 | 9.2 | 0 | 0 | 0 | 113.4 | R30 L261 G267 Y406 | R30-D265 IonicContact CZ-OD1 2.67Å; R30-D265 VanDerWaalsContact CZ-OD1 3.28Å; R30-D265 IonicContact CZ-OD2 2.72Å; R30-D265 IonicContact NE-OD1 2.67Å; R30-D265 PolarHBondContact NE-OD1 3.49Å; R30-D265 IonicContact NE-OD2 3.06Å; R30-D265 IonicContact NH2-OD1 2.63Å; R30-D265 PolarHBondContact NH2-OD1 3.23Å; R30-D265 IonicContact NH2-OD2 3.28Å; R30-D265 PolarHBondContact NH2-OD2 3.01Å; L261-D265 WeakPolarHBondContact O-CB 3.35Å; L261-D265 VanDerWaalsContact O-CG 3.23Å; L261-D265 PolarHBondContact O-N 2.57Å; D265-G267 PolarHBondContact O-N 3.48Å; D265-Y406 HydrophobicContact CB-CE2 4.34Å; D265-Y406 PolarHBondContact OD2-OH 3.39Å |
| 266 | R | 94.2 | Very high | 95 | Very high | 53 Ų | 53 | 28.6 Ų | 28.6 | 20% | 0.2 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 14.3 | 178.1 | -67.8 | 173.5 | 176.1 | -175.7 | -6.3 | 112.6 | M262 L263 L264 F268 I323 A324 W329 | M262-R266 VanDerWaalsContact CG-CZ 3.46Å; M262-R266 VanDerWaalsContact O-CB 3.31Å; M262-R266 WeakPolarHBondContact O-CB 3.05Å; M262-R266 WeakPolarHBondContact O-CD 3.34Å; M262-R266 WeakPolarHBondContact O-CG 3.4Å; M262-R266 PolarHBondContact O-N 3.37Å; M262-R266 VanDerWaalsContact O-N 3.11Å; M262-R266 PolarHBondContact SD-NH1 3.22Å; M262-R266 PolarHBondContact SD-NH2 3.25Å; M262-R266 VanDerWaalsContact SD-NH2 3.44Å; L263-R266 PolarHBondContact O-N 3.02Å; L264-R266 PolarHBondContact O-N 3.37Å; R266-F268 HydrophobicContact CB-CD2 4.44Å; R266-I323 PolarHBondContact NH1-O 3.35Å; R266-A324 PolarHBondContact NH2-O 2.76Å; R266-W329 HydrophobicContact CB-CZ2 3.84Å; R266-W329 VanDerWaalsContact CD-CD2 3.49Å; R266-W329 HydrophobicContact CG-CZ2 4.31Å; R266-W329 VanDerWaalsContact NH1-CZ3 3.32Å |
| 267 | G | 93 | Very high | 95.1 | Very high | 71 Ų | 71 | 28.3 Ų | 28.3 | 73% | 0.732 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | 7.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L264 D265 | L264-G267 PolarHBondContact O-N 3.1Å; D265-G267 PolarHBondContact O-N 3.48Å |
| 268 | F | 95.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 27.5 Ų | 27.5 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | trans | -78.8 | 141.2 | 175.3 | -68.6 | -93.8 | 0 | 0 | 0 | 110.4 | L263 L264 R266 K272 V273 W329 F337 | L263-F268 WeakPolarHBondContact O-CB 3.45Å; L263-F268 WeakPolarHBondContact O-CD2 3.47Å; L263-F268 PolarHBondContact O-N 2.63Å; L264-F268 WeakPolarHBondContact CD1-O 3.14Å; R266-F268 HydrophobicContact CB-CD2 4.44Å; F268-K272 HydrophobicContact CD1-CD 4.22Å; F268-V273 HydrophobicContact CB-CG2 3.79Å; F268-W329 HydrophobicContact CD2-CZ2 4.22Å; F268-W329 HydrophobicContact CE2-CH2 4.4Å; F268-W329 AromaticContact CE2-CZ2 3.56Å; F268-W329 HydrophobicContact CE2-CZ2 3.56Å; F268-W329 HydrophobicContact CZ-CZ2 4.33Å; F268-F337 HydrophobicContact CB-CD2 4.31Å; F268-F337 HydrophobicContact CB-CE2 4.25Å; F268-F337 HydrophobicContact CD1-CB 4.33Å; F268-F337 AromaticContact CD1-CD2 3.3Å; F268-F337 HydrophobicContact CD1-CD2 3.3Å; F268-F337 AromaticContact CD1-CE2 3.7Å; F268-F337 HydrophobicContact CD1-CE2 3.7Å; F268-F337 AromaticContact CD1-CG 3.8Å; F268-F337 HydrophobicContact CD1-CG 3.8Å; F268-F337 HydrophobicContact CD1-CZ 4.5Å; F268-F337 AromaticContact CD2-CD2 3.94Å; F268-F337 HydrophobicContact CD2-CD2 3.94Å; F268-F337 HydrophobicContact CE1-CB 3.59Å; F268-F337 HydrophobicContact CE1-CD1 4.24Å; F268-F337 AromaticContact CE1-CD2 3.48Å; F268-F337 HydrophobicContact CE1-CD2 3.48Å; F268-F337 VanDerWaalsContact CE1-CD2 3.48Å; F268-F337 HydrophobicContact CE1-CE2 4.27Å; F268-F337 AromaticContact CE1-CG 3.49Å; F268-F337 HydrophobicContact CE1-CG 3.49Å; F268-F337 VanDerWaalsContact CE1-CG 3.49Å; F268-F337 HydrophobicContact CE2-CB 4.08Å; F268-F337 HydrophobicContact CE2-CD2 4.14Å; F268-F337 HydrophobicContact CE2-CG 4.47Å; F268-F337 AromaticContact CG-CD2 3.54Å; F268-F337 HydrophobicContact CG-CD2 3.54Å; F268-F337 AromaticContact CG-CE2 3.94Å; F268-F337 HydrophobicContact CG-CE2 3.94Å; F268-F337 HydrophobicContact CG-CG 4.4Å; F268-F337 HydrophobicContact CZ-CB 3.45Å; F268-F337 VanDerWaalsContact CZ-CB 3.45Å; F268-F337 AromaticContact CZ-CD2 3.91Å; F268-F337 HydrophobicContact CZ-CD2 3.91Å; F268-F337 AromaticContact CZ-CG 3.87Å; F268-F337 HydrophobicContact CZ-CG 3.87Å | ||
| 269 | S | 95.1 | Very high | 95.2 | Very high | 62 Ų | 62 | 28.3 Ų | 28.3 | 43% | 0.434 | 16% | 0.159 | S | C | . | . | trans | -64 | 147.5 | -176.9 | 65.5 | 0 | 0 | 0 | 0 | 112.7 | S271 K272 V273 | S269-S271 VanDerWaalsContact C-N 3.29Å; S269-S271 PolarHBondContact O-N 3.2Å; S269-S271 PolarHBondContact OG-OG 3.27Å; S269-K272 PolarHBondContact O-N 3.17Å; S269-K272 VanDerWaalsContact O-N 3.16Å; S269-K272 VanDerWaalsContact OG-CB 3.27Å; S269-K272 WeakPolarHBondContact OG-CB 3.36Å; S269-K272 PolarHBondContact OG-N 3.35Å; S269-V273 WeakPolarHBondContact O-CG2 3.33Å; S269-V273 PolarHBondContact O-N 3.21Å | ||
| 270 | L | 93.7 | Very high | 95.3 | Very high | 25 Ų | 25 | 29.8 Ų | 29.8 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -48.8 | -47.8 | 175.6 | 175.2 | 66.7 | 0 | 0 | 0 | 112.6 | L27 I28 K272 V273 G274 | L27-L270 HydrophobicContact CB-CD1 3.56Å; L27-L270 HydrophobicContact CD1-CD1 4.46Å; L27-L270 HydrophobicContact CG-CD1 4.41Å; I28-L270 HydrophobicContact CD1-CD2 3.8Å; L270-K272 PolarHBondContact O-N 3.09Å; L270-V273 PolarHBondContact O-N 3.15Å; L270-G274 PolarHBondContact O-N 2.97Å |
| 271 | S | 95 | Very high | 95.4 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 21% | 0.21 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | -178.2 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | S269 F275 | S269-S271 VanDerWaalsContact C-N 3.29Å; S269-S271 PolarHBondContact O-N 3.2Å; S269-S271 PolarHBondContact OG-OG 3.27Å; S271-F275 VanDerWaalsContact O-CB 3.3Å; S271-F275 WeakPolarHBondContact O-CB 3.42Å; S271-F275 PolarHBondContact O-N 3.45Å |
| 272 | K | 96.2 | Very high | 95.4 | Very high | 65 Ų | 65 | 29.7 Ų | 29.7 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 178.6 | -174.2 | 174.9 | 177.3 | -178.6 | 0 | 110.8 | F268 S269 L270 W276 F337 | F268-K272 HydrophobicContact CD1-CD 4.22Å; S269-K272 PolarHBondContact O-N 3.17Å; S269-K272 VanDerWaalsContact O-N 3.16Å; S269-K272 VanDerWaalsContact OG-CB 3.27Å; S269-K272 WeakPolarHBondContact OG-CB 3.36Å; S269-K272 PolarHBondContact OG-N 3.35Å; L270-K272 PolarHBondContact O-N 3.09Å; K272-W276 PolarHBondContact O-N 3.23Å; K272-W276 VanDerWaalsContact O-N 3.17Å; K272-F337 HydrophobicContact CD-CE1 4.45Å; K272-F337 HydrophobicContact CD-CZ 4.08Å; K272-F337 VanDerWaalsContact CE-CE1 3.4Å; K272-F337 HydrophobicContact CG-CE1 4.49Å; K272-F337 HydrophobicContact CG-CE2 4.37Å; K272-F337 HydrophobicContact CG-CZ 3.82Å |
| 273 | V | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.1 | -47.6 | 176.3 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | L27 P260 L263 F268 S269 L270 F275 T277 | L27-V273 HydrophobicContact CD2-CG1 3.96Å; P260-V273 HydrophobicContact CB-CG1 3.72Å; P260-V273 WeakPolarHBondContact O-CG1 3.44Å; L263-V273 HydrophobicContact CB-CG1 4.34Å; L263-V273 HydrophobicContact CB-CG2 3.71Å; F268-V273 HydrophobicContact CB-CG2 3.79Å; S269-V273 WeakPolarHBondContact O-CG2 3.33Å; S269-V273 PolarHBondContact O-N 3.21Å; L270-V273 PolarHBondContact O-N 3.15Å; V273-F275 PolarHBondContact O-N 3.45Å; V273-T277 HydrophobicContact CG1-CG2 4.27Å; V273-T277 WeakPolarHBondContact O-CB 3.49Å; V273-T277 PolarHBondContact O-N 3.02Å; V273-T277 PolarHBondContact O-OG1 3.08Å |
| 274 | G | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G152 L270 G278 V279 | G152-G274 WeakPolarHBondContact CA-O 3.33Å; L270-G274 PolarHBondContact O-N 2.97Å; G274-G278 WeakPolarHBondContact O-CA 3.27Å; G274-G278 PolarHBondContact O-N 3.4Å; G274-V279 PolarHBondContact O-N 3.18Å |
| 275 | F | 96.6 | Very high | 95.7 | Very high | 73 Ų | 73 | 33.4 Ų | 33.4 | 32% | 0.32 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -64 | -55.4 | 177.1 | -176 | -96 | 0 | 0 | 0 | 112.2 | W156 S271 V273 V279 V280 | W156-F275 HydrophobicContact CB-CB 4.38Å; W156-F275 HydrophobicContact CG-CB 4.33Å; W156-F275 HydrophobicContact CG-CD2 4.25Å; S271-F275 VanDerWaalsContact O-CB 3.3Å; S271-F275 WeakPolarHBondContact O-CB 3.42Å; S271-F275 PolarHBondContact O-N 3.45Å; V273-F275 PolarHBondContact O-N 3.45Å; F275-V279 HydrophobicContact CD2-CB 4.42Å; F275-V279 HydrophobicContact CD2-CG2 4.35Å; F275-V279 WeakPolarHBondContact O-CA 3.3Å; F275-V279 VanDerWaalsContact O-CB 3.29Å; F275-V279 WeakPolarHBondContact O-CB 3.36Å; F275-V279 PolarHBondContact O-N 2.86Å; F275-V280 HydrophobicContact CD1-CG2 4.2Å; F275-V280 HydrophobicContact CE1-CG2 3.84Å; F275-V280 HydrophobicContact CZ-CG2 4.4Å; F275-V280 PolarHBondContact O-N 2.63Å |
| 276 | W | 96 | Very high | 95.8 | Very high | 77 Ų | 77 | 31.3 Ų | 31.3 | 29% | 0.292 | 18% | 0.177 | S | C | . | . | I | π-helix | trans | -72.3 | -45 | -175.4 | -76.2 | 99.3 | 0 | 0 | 0 | 112.8 | K272 V280 G281 F337 W338 | K272-W276 PolarHBondContact O-N 3.23Å; K272-W276 VanDerWaalsContact O-N 3.17Å; W276-V280 HydrophobicContact CD2-CG2 4.32Å; W276-V280 HydrophobicContact CE3-CB 4.05Å; W276-V280 HydrophobicContact CE3-CG1 4.03Å; W276-V280 HydrophobicContact CE3-CG2 3.81Å; W276-V280 HydrophobicContact CZ3-CB 4.47Å; W276-V280 HydrophobicContact CZ3-CG1 4.08Å; W276-V280 HydrophobicContact CZ3-CG2 4.08Å; W276-V280 WeakPolarHBondContact O-CB 3.25Å; W276-G281 PolarHBondContact O-N 3.37Å; W276-G281 VanDerWaalsContact O-N 3.11Å; W276-F337 HydrophobicContact CG-CZ 4.39Å; W276-W338 AromaticContact CD2-CZ3 3.94Å; W276-W338 HydrophobicContact CD2-CZ3 3.94Å; W276-W338 AromaticContact CE2-CH2 3.71Å; W276-W338 AromaticContact CE2-CZ3 3.44Å; W276-W338 VanDerWaalsContact CE2-CZ3 3.44Å; W276-W338 HydrophobicContact CE3-CZ3 4.33Å; W276-W338 HydrophobicContact CH2-CH2 4.46Å; W276-W338 AromaticContact CH2-CZ3 3.86Å; W276-W338 HydrophobicContact CH2-CZ3 3.86Å; W276-W338 AromaticContact CZ2-CH2 3.66Å; W276-W338 HydrophobicContact CZ2-CH2 3.66Å; W276-W338 AromaticContact CZ2-CZ3 3.42Å; W276-W338 HydrophobicContact CZ2-CZ3 3.42Å; W276-W338 VanDerWaalsContact CZ2-CZ3 3.42Å; W276-W338 HydrophobicContact CZ3-CZ3 4.29Å; W276-W338 AromaticContact NE1-CH2 3.74Å; W276-W338 AromaticContact NE1-CZ3 3.82Å |
| 277 | T | 94.4 | Very high | 96 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -84 | -18.2 | -176.2 | 69.8 | 0 | 0 | 0 | 0 | 114.8 | R23 P260 L263 V273 M344 | R23-T277 PolarHBondContact NE-O 3.17Å; R23-T277 PolarHBondContact NH2-O 3.08Å; P260-T277 HydrophobicContact CB-CG2 4.26Å; P260-T277 WeakPolarHBondContact CB-OG1 3.35Å; P260-T277 HydrophobicContact CG-CG2 4.18Å; P260-T277 WeakPolarHBondContact CG-OG1 3.44Å; L263-T277 HydrophobicContact CD1-CG2 3.57Å; V273-T277 HydrophobicContact CG1-CG2 4.27Å; V273-T277 WeakPolarHBondContact O-CB 3.49Å; V273-T277 PolarHBondContact O-N 3.02Å; V273-T277 PolarHBondContact O-OG1 3.08Å; T277-M344 HydrophobicContact CG2-CE 4.23Å; T277-M344 HydrophobicContact CG2-SD 4.01Å |
| 278 | G | 93.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -106.3 | -58.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G274 Q282 | G274-G278 WeakPolarHBondContact O-CA 3.27Å; G274-G278 PolarHBondContact O-N 3.4Å; G278-Q282 VanDerWaalsContact O-CB 3.29Å; G278-Q282 WeakPolarHBondContact O-CB 3.06Å; G278-Q282 WeakPolarHBondContact O-CG 3.24Å; G278-Q282 PolarHBondContact O-N 3.43Å |
| 279 | V | 97.1 | Very high | 96.3 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -74 | -58.9 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | I148 F153 G274 F275 G281 Q282 L283 | I148-V279 HydrophobicContact CG2-CG1 4.16Å; I148-V279 HydrophobicContact CG2-CG2 4.42Å; F153-V279 HydrophobicContact CB-CG2 4.14Å; G274-V279 PolarHBondContact O-N 3.18Å; F275-V279 HydrophobicContact CD2-CB 4.42Å; F275-V279 HydrophobicContact CD2-CG2 4.35Å; F275-V279 WeakPolarHBondContact O-CA 3.3Å; F275-V279 VanDerWaalsContact O-CB 3.29Å; F275-V279 WeakPolarHBondContact O-CB 3.36Å; F275-V279 PolarHBondContact O-N 2.86Å; V279-G281 PolarHBondContact O-N 2.96Å; V279-Q282 PolarHBondContact O-N 3.25Å; V279-L283 HydrophobicContact CG1-CD1 4.22Å; V279-L283 WeakPolarHBondContact O-CG 3.38Å; V279-L283 PolarHBondContact O-N 2.96Å |
| 280 | V | 97.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 29 Ų | 29 | 19% | 0.188 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -63.8 | -45.5 | -176.9 | -178 | 0 | 0 | 0 | 0 | 111 | F275 W276 Q282 L283 A284 D345 | F275-V280 HydrophobicContact CD1-CG2 4.2Å; F275-V280 HydrophobicContact CE1-CG2 3.84Å; F275-V280 HydrophobicContact CZ-CG2 4.4Å; F275-V280 PolarHBondContact O-N 2.63Å; W276-V280 HydrophobicContact CD2-CG2 4.32Å; W276-V280 HydrophobicContact CE3-CB 4.05Å; W276-V280 HydrophobicContact CE3-CG1 4.03Å; W276-V280 HydrophobicContact CE3-CG2 3.81Å; W276-V280 HydrophobicContact CZ3-CB 4.47Å; W276-V280 HydrophobicContact CZ3-CG1 4.08Å; W276-V280 HydrophobicContact CZ3-CG2 4.08Å; W276-V280 WeakPolarHBondContact O-CB 3.25Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 3.12Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; V280-L283 PolarHBondContact O-N 2.86Å; V280-L283 VanDerWaalsContact O-N 3.13Å; V280-A284 PolarHBondContact O-N 2.73Å; V280-D345 WeakPolarHBondContact CG1-OD2 3.39Å |
| 281 | G | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.7 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W276 V279 A284 S285 D345 L348 | W276-G281 PolarHBondContact O-N 3.37Å; W276-G281 VanDerWaalsContact O-N 3.11Å; V279-G281 PolarHBondContact O-N 2.96Å; G281-A284 WeakPolarHBondContact O-CB 3.14Å; G281-A284 PolarHBondContact O-N 2.93Å; G281-S285 PolarHBondContact O-N 2.86Å; G281-D345 WeakPolarHBondContact CA-OD1 3.27Å; G281-D345 PolarHBondContact N-OD1 3.09Å; G281-L348 VanDerWaalsContact CA-CD1 3.49Å; G281-L348 WeakPolarHBondContact O-CD1 3.33Å |
| 282 | Q | 96.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 4% | 0.042 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76.7 | -31.5 | 177.5 | -63.1 | -75.2 | 37.4 | 0 | 0 | 112.2 | I148 G278 V279 V280 A284 S285 I286 | I148-Q282 HydrophobicContact CD1-CB 3.79Å; I148-Q282 HydrophobicContact CG1-CB 3.32Å; I148-Q282 HydrophobicContact CG1-CG 4.06Å; G278-Q282 VanDerWaalsContact O-CB 3.29Å; G278-Q282 WeakPolarHBondContact O-CB 3.06Å; G278-Q282 WeakPolarHBondContact O-CG 3.24Å; G278-Q282 PolarHBondContact O-N 3.43Å; V279-Q282 PolarHBondContact O-N 3.25Å; V280-Q282 VanDerWaalsContact C-N 3.32Å; V280-Q282 PolarHBondContact O-N 3.12Å; Q282-A284 VanDerWaalsContact C-N 3.34Å; Q282-S285 CarbonylContact O-C 3.5Å; Q282-S285 WeakPolarHBondContact O-CB 3.34Å; Q282-S285 PolarHBondContact O-N 3.22Å; Q282-I286 WeakPolarHBondContact O-CG1 3.42Å; Q282-I286 PolarHBondContact O-N 3.18Å |
| 283 | L | 98 | Very high | 95.9 | Very high | 85 Ų | 85 | 28.4 Ų | 28.4 | 45% | 0.445 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 169 | -70.9 | 171.2 | 0 | 0 | 0 | 111.2 | I148 V279 V280 S285 I286 I287 | I148-L283 HydrophobicContact CD1-CD2 3.99Å; I148-L283 HydrophobicContact CD1-CG 4.09Å; V279-L283 HydrophobicContact CG1-CD1 4.22Å; V279-L283 WeakPolarHBondContact O-CG 3.38Å; V279-L283 PolarHBondContact O-N 2.96Å; V280-L283 WeakPolarHBondContact O-CB 3.34Å; V280-L283 PolarHBondContact O-N 2.86Å; V280-L283 VanDerWaalsContact O-N 3.13Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.91Å; L283-I286 HydrophobicContact CD2-CD1 4.47Å; L283-I286 WeakPolarHBondContact O-CB 3.47Å; L283-I286 PolarHBondContact O-N 2.82Å; L283-I286 VanDerWaalsContact O-N 3.12Å; L283-I287 WeakPolarHBondContact O-CG1 3.47Å; L283-I287 PolarHBondContact O-N 3.47Å |
| 284 | A | 98.1 | Very high | 95.6 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -44.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V280 G281 Q282 I286 I287 G288 D345 L348 V349 | V280-A284 PolarHBondContact O-N 2.73Å; G281-A284 WeakPolarHBondContact O-CB 3.14Å; G281-A284 PolarHBondContact O-N 2.93Å; Q282-A284 VanDerWaalsContact C-N 3.34Å; A284-I286 VanDerWaalsContact C-N 3.32Å; A284-I286 PolarHBondContact O-N 3.31Å; A284-I287 PolarHBondContact O-N 3.15Å; A284-G288 PolarHBondContact O-N 3.44Å; A284-D345 HydrophobicContact CB-CB 3.99Å; A284-D345 WeakPolarHBondContact CB-O 3.33Å; A284-L348 HydrophobicContact CB-CB 4.36Å; A284-V349 HydrophobicContact CB-CG2 3.9Å; A284-V349 WeakPolarHBondContact O-CA 3.48Å; A284-V349 WeakPolarHBondContact O-CG2 3.4Å |
| 285 | S | 97.5 | Very high | 95.3 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 113.4 | K144 G281 Q282 L283 G288 S289 L348 | K144-S285 VanDerWaalsContact CE-OG 3.25Å; K144-S285 WeakPolarHBondContact CE-OG 3.38Å; K144-S285 PolarHBondContact NZ-OG 2.92Å; G281-S285 PolarHBondContact O-N 2.86Å; Q282-S285 CarbonylContact O-C 3.5Å; Q282-S285 WeakPolarHBondContact O-CB 3.34Å; Q282-S285 PolarHBondContact O-N 3.22Å; L283-S285 VanDerWaalsContact C-N 3.32Å; L283-S285 PolarHBondContact O-N 2.91Å; S285-G288 PolarHBondContact O-N 3.08Å; S285-S289 WeakPolarHBondContact O-CB 3.33Å; S285-S289 PolarHBondContact O-N 3.39Å; S285-S289 PolarHBondContact O-OG 3.21Å; S285-L348 WeakPolarHBondContact CA-O 3.44Å |
| 286 | I | 98.1 | Very high | 94.7 | Very high | 24 Ų | 24 | 35.6 Ų | 35.6 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.9 | -49 | 175.8 | -74.2 | 163.7 | 0 | 0 | 0 | 110.4 | V141 K144 I148 Q282 L283 A284 G288 S289 T290 | V141-I286 HydrophobicContact CG1-CG1 4.39Å; V141-I286 HydrophobicContact CG1-CG2 3.89Å; V141-I286 HydrophobicContact CG2-CG2 4.3Å; K144-I286 HydrophobicContact CB-CD1 4.02Å; K144-I286 HydrophobicContact CB-CG1 3.59Å; K144-I286 HydrophobicContact CG-CG1 4.47Å; I148-I286 HydrophobicContact CD1-CD1 3.82Å; Q282-I286 WeakPolarHBondContact O-CG1 3.42Å; Q282-I286 PolarHBondContact O-N 3.18Å; L283-I286 HydrophobicContact CD2-CD1 4.47Å; L283-I286 WeakPolarHBondContact O-CB 3.47Å; L283-I286 PolarHBondContact O-N 2.82Å; L283-I286 VanDerWaalsContact O-N 3.12Å; A284-I286 VanDerWaalsContact C-N 3.32Å; A284-I286 PolarHBondContact O-N 3.31Å; I286-G288 PolarHBondContact O-N 2.98Å; I286-S289 PolarHBondContact O-N 3.22Å; I286-S289 VanDerWaalsContact O-N 3.07Å; I286-T290 PolarHBondContact O-N 3.33Å; I286-T290 PolarHBondContact O-OG1 3.02Å |
| 287 | I | 98 | Very high | 94.1 | Very high | 103 Ų | 103 | 39.5 Ų | 39.5 | 53% | 0.528 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -54.9 | -45 | 176 | -66 | 166.2 | 0 | 0 | 0 | 110.2 | L283 A284 S291 | L283-I287 WeakPolarHBondContact O-CG1 3.47Å; L283-I287 PolarHBondContact O-N 3.47Å; A284-I287 PolarHBondContact O-N 3.15Å; I287-S291 WeakPolarHBondContact O-CB 3.2Å; I287-S291 PolarHBondContact O-N 2.77Å; I287-S291 PolarHBondContact O-OG 3.34Å |
| 288 | G | 97.5 | Very high | 93.5 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.2 | -49.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A284 S285 I286 S291 G292 V349 G353 | A284-G288 PolarHBondContact O-N 3.44Å; S285-G288 PolarHBondContact O-N 3.08Å; I286-G288 PolarHBondContact O-N 2.98Å; G288-S291 PolarHBondContact O-N 3.24Å; G288-G292 PolarHBondContact O-N 3.17Å; G288-V349 WeakPolarHBondContact CA-O 3.36Å; G288-G353 VanDerWaalsContact C-N 3.31Å; G288-G353 WeakPolarHBondContact O-CA 3.4Å; G288-G353 PolarHBondContact O-N 3.38Å |
| 289 | S | 96.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | -178.1 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | V140 S285 I286 S291 G292 G352 T356 | V140-S289 WeakPolarHBondContact CG1-OG 3.2Å; S285-S289 WeakPolarHBondContact O-CB 3.33Å; S285-S289 PolarHBondContact O-N 3.39Å; S285-S289 PolarHBondContact O-OG 3.21Å; I286-S289 PolarHBondContact O-N 3.22Å; I286-S289 VanDerWaalsContact O-N 3.07Å; S289-S291 VanDerWaalsContact C-N 3.35Å; S289-G292 PolarHBondContact O-N 3.06Å; S289-G352 WeakPolarHBondContact OG-CA 3.36Å; S289-T356 WeakPolarHBondContact CA-OG1 3.37Å; S289-T356 WeakPolarHBondContact CB-OG1 3.46Å; S289-T356 PolarHBondContact O-OG1 2.92Å |
| 290 | T | 96.2 | Very high | 91.7 | Very high | 55 Ų | 55 | 62 Ų | 62 | 34% | 0.337 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 173.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | I286 Y293 Y294 | I286-T290 PolarHBondContact O-N 3.33Å; I286-T290 PolarHBondContact O-OG1 3.02Å; T290-Y293 WeakPolarHBondContact O-CB 3.28Å; T290-Y293 PolarHBondContact O-N 3.45Å; T290-Y294 HydrophobicContact CG2-CE2 4.06Å; T290-Y294 WeakPolarHBondContact O-CD2 3.44Å |
| 291 | S | 95 | Very high | 91 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -35 | 177 | -59 | 0 | 0 | 0 | 0 | 112.5 | I287 G288 S289 Y293 Y294 I295 | I287-S291 WeakPolarHBondContact O-CB 3.2Å; I287-S291 PolarHBondContact O-N 2.77Å; I287-S291 PolarHBondContact O-OG 3.34Å; G288-S291 PolarHBondContact O-N 3.24Å; S289-S291 VanDerWaalsContact C-N 3.35Å; S291-Y293 VanDerWaalsContact C-N 3.27Å; S291-Y293 PolarHBondContact O-N 3.12Å; S291-Y294 PolarHBondContact O-N 3.4Å; S291-I295 VanDerWaalsContact O-CG1 3.31Å; S291-I295 WeakPolarHBondContact O-CG1 3.36Å; S291-I295 PolarHBondContact O-N 2.91Å |
| 292 | G | 91.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.7 | -39.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | G288 S289 Y294 I295 Q296 | G288-G292 PolarHBondContact O-N 3.17Å; S289-G292 PolarHBondContact O-N 3.06Å; G292-Y294 PolarHBondContact O-N 3.37Å; G292-I295 PolarHBondContact O-N 3.29Å; G292-Q296 WeakPolarHBondContact O-CB 3.25Å; G292-Q296 PolarHBondContact O-N 3.31Å |
| 293 | Y | 89.3 | Confident | 90 | Very high | 60 Ų | 60 | 63.3 Ų | 63.3 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57 | -48.3 | 173.1 | 174.5 | -106.6 | 0 | 0 | 0 | 112.6 | L134 T137 T290 S291 K297 | L134-Y293 HydrophobicContact CB-CE2 4.12Å; T137-Y293 WeakPolarHBondContact OG1-CB 3.34Å; T290-Y293 WeakPolarHBondContact O-CB 3.28Å; T290-Y293 PolarHBondContact O-N 3.45Å; S291-Y293 VanDerWaalsContact C-N 3.27Å; S291-Y293 PolarHBondContact O-N 3.12Å; Y293-K297 PolarHBondContact O-N 3.41Å |
| 294 | Y | 90 | Very high | 89.5 | Confident | 151 Ų | 151 | 62.7 Ų | 62.7 | 59% | 0.592 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -70.4 | -38.5 | -179.9 | -64.8 | -72.3 | 0 | 0 | 0 | 112.4 | T290 S291 G292 K297 K298 | T290-Y294 HydrophobicContact CG2-CE2 4.06Å; T290-Y294 WeakPolarHBondContact O-CD2 3.44Å; S291-Y294 PolarHBondContact O-N 3.4Å; G292-Y294 PolarHBondContact O-N 3.37Å; Y294-K297 PolarHBondContact O-N 3.02Å; Y294-K298 WeakPolarHBondContact O-CB 3.23Å; Y294-K298 PolarHBondContact O-N 3.34Å |
| 295 | I | 87.9 | Confident | 89.1 | Confident | 52 Ų | 52 | 62.2 Ų | 62.2 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 177.9 | -68.5 | 167.1 | 0 | 0 | 0 | 110.4 | S291 G292 K297 K298 L299 L309 | S291-I295 VanDerWaalsContact O-CG1 3.31Å; S291-I295 WeakPolarHBondContact O-CG1 3.36Å; S291-I295 PolarHBondContact O-N 2.91Å; G292-I295 PolarHBondContact O-N 3.29Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 2.94Å; I295-K298 PolarHBondContact O-N 3.38Å; I295-K298 VanDerWaalsContact O-N 3.12Å; I295-L299 HydrophobicContact CG2-CD1 3.73Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 PolarHBondContact O-N 3.49Å; I295-L309 HydrophobicContact CD1-CD2 4.26Å |
| 296 | Q | 83.8 | Confident | 89 | Confident | 22 Ų | 22 | 62.1 Ų | 62.1 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 178.1 | -175.4 | -177.4 | 5.9 | 0 | 0 | 111.6 | G292 K298 R300 P302 I357 T360 | G292-Q296 WeakPolarHBondContact O-CB 3.25Å; G292-Q296 PolarHBondContact O-N 3.31Å; Q296-K298 VanDerWaalsContact C-N 3.3Å; Q296-K298 PolarHBondContact O-N 3.27Å; Q296-R300 PolarHBondContact O-N 3.38Å; Q296-P302 HydrophobicContact CG-CB 4.27Å; Q296-I357 HydrophobicContact CB-CG1 4.31Å; Q296-T360 VanDerWaalsContact NE2-CG2 3.32Å |
| 297 | K | 82.3 | Confident | 88.7 | Confident | 158 Ų | 158 | 62.7 Ų | 62.7 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -63.2 | -35.9 | 177.7 | -170.3 | 176.4 | 179.9 | 179.5 | 0 | 112.2 | Y293 Y294 I295 | Y293-K297 PolarHBondContact O-N 3.41Å; Y294-K297 PolarHBondContact O-N 3.02Å; I295-K297 VanDerWaalsContact C-N 3.31Å; I295-K297 PolarHBondContact O-N 2.94Å |
| 298 | K | 82 | Confident | 88.5 | Confident | 178 Ų | 178 | 60.2 Ų | 60.2 | 77% | 0.774 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -76.2 | -48.7 | -178.9 | -174.1 | 177.6 | -179.6 | -179.5 | 0 | 112.8 | Y294 I295 Q296 R300 | Y294-K298 WeakPolarHBondContact O-CB 3.23Å; Y294-K298 PolarHBondContact O-N 3.34Å; I295-K298 PolarHBondContact O-N 3.38Å; I295-K298 VanDerWaalsContact O-N 3.12Å; Q296-K298 VanDerWaalsContact C-N 3.3Å; Q296-K298 PolarHBondContact O-N 3.27Å; K298-R300 VanDerWaalsContact C-N 3.27Å; K298-R300 PolarHBondContact O-N 3.4Å |
| 299 | L | 78.6 | Confident | 88.4 | Confident | 82 Ų | 82 | 60.9 Ų | 60.9 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -77.9 | -8.8 | -173.7 | -72.1 | 178.8 | 0 | 0 | 0 | 113.8 | I295 S301 S305 | I295-L299 HydrophobicContact CG2-CD1 3.73Å; I295-L299 HydrophobicContact CG2-CG 4.34Å; I295-L299 PolarHBondContact O-N 3.49Å; L299-S301 PolarHBondContact O-N 3.5Å; L299-S305 VanDerWaalsContact CB-OG 3.32Å; L299-S305 WeakPolarHBondContact CB-OG 3.21Å; L299-S305 WeakPolarHBondContact CD1-OG 3.49Å |
| 300 | R | 74.3 | Confident | 88.4 | Confident | 233 Ų | 233 | 60.9 Ų | 60.9 | 88% | 0.879 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 59 | -13.8 | 178.3 | -60.4 | -174.4 | 177.3 | 172.4 | -0.8 | 116.4 | Q296 K298 | Q296-R300 PolarHBondContact O-N 3.38Å; K298-R300 VanDerWaalsContact C-N 3.27Å; K298-R300 PolarHBondContact O-N 3.4Å |
| 301 | S | 82.2 | Confident | 88.4 | Confident | 38 Ų | 38 | 62.1 Ų | 62.1 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | trans | -120 | 114.4 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | L299 L303 T304 S305 | L299-S301 PolarHBondContact O-N 3.5Å; S301-L303 VanDerWaalsContact C-N 3.27Å; S301-L303 PolarHBondContact O-N 3.25Å; S301-T304 WeakPolarHBondContact CB-OG1 3.24Å; S301-T304 PolarHBondContact O-N 2.84Å; S301-T304 PolarHBondContact OG-N 3.04Å; S301-T304 PolarHBondContact OG-OG1 3.45Å; S301-S305 PolarHBondContact O-N 3.5Å; S301-S305 VanDerWaalsContact O-N 3.08Å; S301-S305 PolarHBondContact O-OG 2.74Å | ||
| 302 | P | 84 | Confident | 88.5 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 12% | 0.117 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 178.1 | 25.9 | -34 | 0 | 0 | 0 | 111.8 | Q296 S305 V306 I357 L361 L434 | Q296-P302 HydrophobicContact CG-CB 4.27Å; P302-S305 WeakPolarHBondContact O-CB 3.38Å; P302-S305 PolarHBondContact O-N 2.92Å; P302-V306 VanDerWaalsContact O-CG2 3.3Å; P302-V306 WeakPolarHBondContact O-CG2 3.25Å; P302-V306 PolarHBondContact O-N 3.4Å; P302-I357 HydrophobicContact CB-CG2 3.85Å; P302-L361 HydrophobicContact CB-CD1 4.49Å; P302-L361 HydrophobicContact CB-CD2 3.7Å; P302-L361 HydrophobicContact CB-CG 4.16Å; P302-L361 HydrophobicContact CG-CD2 3.61Å; P302-L434 HydrophobicContact CG-CD2 3.46Å; P302-L434 VanDerWaalsContact CG-CD2 3.46Å |
| 303 | L | 88.2 | Confident | 88.7 | Confident | 11 Ų | 11 | 64 Ų | 64 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.9 | -42.9 | 179.9 | -165.7 | 67.7 | 0 | 0 | 0 | 112.4 | S301 S305 V306 L307 V424 F431 L434 | S301-L303 VanDerWaalsContact C-N 3.27Å; S301-L303 PolarHBondContact O-N 3.25Å; L303-S305 VanDerWaalsContact C-N 3.28Å; L303-S305 PolarHBondContact O-N 3.15Å; L303-V306 PolarHBondContact O-N 3.45Å; L303-L307 WeakPolarHBondContact O-CB 3.41Å; L303-L307 PolarHBondContact O-N 3.15Å; L303-V424 HydrophobicContact CD1-CG1 3.63Å; L303-V424 HydrophobicContact CD1-CG2 4.41Å; L303-V424 HydrophobicContact CD2-CG1 4.22Å; L303-V424 HydrophobicContact CG-CG1 3.75Å; L303-F431 HydrophobicContact CD1-CD1 4.49Å; L303-F431 HydrophobicContact CD1-CD2 4.14Å; L303-F431 HydrophobicContact CD1-CE1 4.44Å; L303-F431 HydrophobicContact CD1-CE2 4.08Å; L303-F431 HydrophobicContact CD1-CG 4.36Å; L303-F431 HydrophobicContact CD1-CZ 4.24Å; L303-F431 HydrophobicContact CD2-CD2 3.79Å; L303-F431 HydrophobicContact CD2-CE2 4.31Å; L303-F431 HydrophobicContact CD2-CG 4.26Å; L303-L434 HydrophobicContact CB-CD1 4.05Å |
| 304 | T | 88.4 | Confident | 89 | Confident | 73 Ų | 73 | 61.7 Ų | 61.7 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 175 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | S301 S308 | S301-T304 WeakPolarHBondContact CB-OG1 3.24Å; S301-T304 PolarHBondContact O-N 2.84Å; S301-T304 PolarHBondContact OG-N 3.04Å; S301-T304 PolarHBondContact OG-OG1 3.45Å; T304-S308 WeakPolarHBondContact O-CB 3.36Å; T304-S308 PolarHBondContact O-N 2.83Å; T304-S308 PolarHBondContact O-OG 3.47Å |
| 305 | S | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 175.7 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | L299 S301 P302 L303 S308 L309 | L299-S305 VanDerWaalsContact CB-OG 3.32Å; L299-S305 WeakPolarHBondContact CB-OG 3.21Å; L299-S305 WeakPolarHBondContact CD1-OG 3.49Å; S301-S305 PolarHBondContact O-N 3.5Å; S301-S305 VanDerWaalsContact O-N 3.08Å; S301-S305 PolarHBondContact O-OG 2.74Å; P302-S305 WeakPolarHBondContact O-CB 3.38Å; P302-S305 PolarHBondContact O-N 2.92Å; L303-S305 VanDerWaalsContact C-N 3.28Å; L303-S305 PolarHBondContact O-N 3.15Å; S305-S308 PolarHBondContact O-N 3.45Å; S305-L309 WeakPolarHBondContact O-CG 3.28Å; S305-L309 PolarHBondContact O-N 3.36Å; S305-L309 VanDerWaalsContact O-N 3.09Å |
| 306 | V | 93.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.4 | -46.7 | 178.5 | 168.9 | 0 | 0 | 0 | 0 | 111.1 | P302 L303 S308 L309 M310 I357 I358 L361 | P302-V306 VanDerWaalsContact O-CG2 3.3Å; P302-V306 WeakPolarHBondContact O-CG2 3.25Å; P302-V306 PolarHBondContact O-N 3.4Å; L303-V306 PolarHBondContact O-N 3.45Å; V306-S308 PolarHBondContact O-N 3.5Å; V306-L309 PolarHBondContact O-N 3.21Å; V306-M310 HydrophobicContact CG1-CE 3.41Å; V306-M310 VanDerWaalsContact CG1-CE 3.41Å; V306-M310 HydrophobicContact CG1-CG 4.25Å; V306-M310 HydrophobicContact CG1-SD 3.78Å; V306-M310 WeakPolarHBondContact O-CB 3.47Å; V306-M310 VanDerWaalsContact O-CG 3.24Å; V306-M310 WeakPolarHBondContact O-CG 3.25Å; V306-M310 PolarHBondContact O-N 2.91Å; V306-I357 HydrophobicContact CG2-CB 3.72Å; V306-I357 HydrophobicContact CG2-CD1 4.39Å; V306-I357 HydrophobicContact CG2-CG2 3.37Å; V306-I358 HydrophobicContact CG1-CD1 4.18Å; V306-I358 HydrophobicContact CG2-CD1 4.41Å; V306-I358 HydrophobicContact CG2-CG1 4.5Å; V306-L361 HydrophobicContact CG2-CD1 4.32Å |
| 307 | L | 93.7 | Very high | 90.2 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 179.5 | -178.5 | 62.9 | 0 | 0 | 0 | 111.7 | L303 L309 M310 I311 I421 V424 | L303-L307 WeakPolarHBondContact O-CB 3.41Å; L303-L307 PolarHBondContact O-N 3.15Å; L307-L309 PolarHBondContact O-N 3.06Å; L307-M310 PolarHBondContact O-N 3.46Å; L307-I311 HydrophobicContact CD1-CD1 4.48Å; L307-I311 HydrophobicContact CG-CD1 4.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.42Å; L307-I311 PolarHBondContact O-N 3.06Å; L307-I421 HydrophobicContact CD1-CB 4.44Å; L307-I421 HydrophobicContact CD1-CG2 3.75Å; L307-V424 HydrophobicContact CB-CG1 4.08Å; L307-V424 HydrophobicContact CD1-CB 4.21Å; L307-V424 HydrophobicContact CD1-CG1 4.06Å; L307-V424 HydrophobicContact CG-CG1 4.45Å |
| 308 | S | 93.2 | Very high | 90.8 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 36% | 0.357 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 178.9 | -55.8 | 0 | 0 | 0 | 0 | 111.6 | T304 S305 V306 I311 I312 | T304-S308 WeakPolarHBondContact O-CB 3.36Å; T304-S308 PolarHBondContact O-N 2.83Å; T304-S308 PolarHBondContact O-OG 3.47Å; S305-S308 PolarHBondContact O-N 3.45Å; V306-S308 PolarHBondContact O-N 3.5Å; S308-I311 PolarHBondContact O-N 3.45Å; S308-I312 WeakPolarHBondContact O-CG1 3.18Å; S308-I312 PolarHBondContact O-N 3.23Å; S308-I312 VanDerWaalsContact O-N 3.1Å |
| 309 | L | 95.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 177.2 | -68.9 | 172 | 0 | 0 | 0 | 112.1 | I295 S305 V306 L307 I311 I312 R313 V350 I354 I357 | I295-L309 HydrophobicContact CD1-CD2 4.26Å; S305-L309 WeakPolarHBondContact O-CG 3.28Å; S305-L309 PolarHBondContact O-N 3.36Å; S305-L309 VanDerWaalsContact O-N 3.09Å; V306-L309 PolarHBondContact O-N 3.21Å; L307-L309 PolarHBondContact O-N 3.06Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 3.41Å; L309-I312 PolarHBondContact O-N 3.14Å; L309-R313 WeakPolarHBondContact O-CB 3.49Å; L309-R313 PolarHBondContact O-N 3.46Å; L309-V350 HydrophobicContact CB-CG1 3.99Å; L309-V350 HydrophobicContact CD2-CG1 4.15Å; L309-V350 WeakPolarHBondContact O-CG1 3.32Å; L309-I354 HydrophobicContact CB-CD1 4Å; L309-I354 HydrophobicContact CB-CG1 3.54Å; L309-I354 HydrophobicContact CD1-CG1 4.19Å; L309-I357 HydrophobicContact CD1-CD1 3.77Å |
| 310 | M | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -39 | 176.4 | -73.5 | 176.6 | 170.8 | 0 | 0 | 112.2 | L244 Y248 V306 L307 R313 A314 I354 P420 I421 | L244-M310 HydrophobicContact CD1-CE 4.22Å; Y248-M310 HydrophobicContact CD2-CE 4.05Å; Y248-M310 HydrophobicContact CG-CE 4.21Å; V306-M310 HydrophobicContact CG1-CE 3.41Å; V306-M310 VanDerWaalsContact CG1-CE 3.41Å; V306-M310 HydrophobicContact CG1-CG 4.25Å; V306-M310 HydrophobicContact CG1-SD 3.78Å; V306-M310 WeakPolarHBondContact O-CB 3.47Å; V306-M310 VanDerWaalsContact O-CG 3.24Å; V306-M310 WeakPolarHBondContact O-CG 3.25Å; V306-M310 PolarHBondContact O-N 2.91Å; L307-M310 PolarHBondContact O-N 3.46Å; M310-R313 PolarHBondContact O-N 3.11Å; M310-A314 PolarHBondContact O-N 2.9Å; M310-I354 HydrophobicContact CE-CG2 4.09Å; M310-I354 HydrophobicContact CG-CD1 3.96Å; M310-P420 HydrophobicContact CE-CB 4.25Å; M310-P420 HydrophobicContact SD-CB 4.01Å; M310-I421 HydrophobicContact CB-CD1 4.36Å; M310-I421 HydrophobicContact CB-CG1 3.75Å |
| 311 | I | 96.4 | Very high | 93.2 | Very high | 80 Ų | 80 | 34.1 Ų | 34.1 | 41% | 0.41 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.8 | -50.1 | 174.4 | -66.7 | 165.5 | 0 | 0 | 0 | 110.2 | L307 S308 L309 R313 A314 C315 I421 | L307-I311 HydrophobicContact CD1-CD1 4.48Å; L307-I311 HydrophobicContact CG-CD1 4.28Å; L307-I311 WeakPolarHBondContact O-CG1 3.42Å; L307-I311 PolarHBondContact O-N 3.06Å; S308-I311 PolarHBondContact O-N 3.45Å; L309-I311 VanDerWaalsContact C-N 3.34Å; L309-I311 PolarHBondContact O-N 3.41Å; I311-R313 VanDerWaalsContact C-N 3.28Å; I311-R313 PolarHBondContact O-N 2.92Å; I311-A314 PolarHBondContact O-N 3.08Å; I311-A314 VanDerWaalsContact O-N 3.14Å; I311-C315 PolarHBondContact O-N 3.16Å; I311-C315 PolarHBondContact O-SG 3.31Å; I311-C315 VanDerWaalsContact O-SG 3.37Å; I311-I421 HydrophobicContact CD1-CG2 4.4Å; I311-I421 HydrophobicContact CG1-CD1 4.11Å; I311-I421 HydrophobicContact CG1-CG2 3.83Å |
| 312 | I | 96.2 | Very high | 93.7 | Very high | 84 Ų | 84 | 36 Ų | 36 | 43% | 0.431 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -56.7 | -44.6 | 177.3 | -65.6 | 166.8 | 0 | 0 | 0 | 110.6 | S308 L309 A314 C315 L316 V350 | S308-I312 WeakPolarHBondContact O-CG1 3.18Å; S308-I312 PolarHBondContact O-N 3.23Å; S308-I312 VanDerWaalsContact O-N 3.1Å; L309-I312 PolarHBondContact O-N 3.14Å; I312-A314 PolarHBondContact O-N 3.27Å; I312-C315 PolarHBondContact O-N 3.35Å; I312-L316 HydrophobicContact CG2-CD1 4.03Å; I312-L316 HydrophobicContact CG2-CG 4.46Å; I312-L316 WeakPolarHBondContact O-CG 3.3Å; I312-L316 PolarHBondContact O-N 2.93Å; I312-V350 HydrophobicContact CG2-CG2 3.95Å |
| 313 | R | 96.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 177 | -171 | -168 | 65.6 | 162.2 | -3.1 | 111.7 | Y248 L309 M310 I311 C315 L316 Q317 L347 V350 I354 S417 | Y248-R313 PolarHBondContact O-NH1 3.2Å; Y248-R313 PolarHBondContact O-NH2 2.88Å; Y248-R313 VanDerWaalsContact O-NH2 3.08Å; L309-R313 WeakPolarHBondContact O-CB 3.49Å; L309-R313 PolarHBondContact O-N 3.46Å; M310-R313 PolarHBondContact O-N 3.11Å; I311-R313 VanDerWaalsContact C-N 3.28Å; I311-R313 PolarHBondContact O-N 2.92Å; R313-C315 VanDerWaalsContact C-N 3.33Å; R313-C315 PolarHBondContact O-N 3.43Å; R313-L316 PolarHBondContact O-N 3.37Å; R313-Q317 WeakPolarHBondContact O-CB 3.49Å; R313-Q317 PolarHBondContact O-N 2.94Å; R313-L347 HydrophobicContact CB-CD2 4.43Å; R313-L347 HydrophobicContact CG-CD2 3.58Å; R313-L347 WeakPolarHBondContact O-CD2 3.28Å; R313-V350 HydrophobicContact CB-CB 4.47Å; R313-V350 HydrophobicContact CB-CG1 3.79Å; R313-I354 HydrophobicContact CB-CD1 4.39Å; R313-S417 PolarHBondContact NH2-O 3.19Å |
| 314 | A | 95.5 | Very high | 94.5 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 10% | 0.099 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M310 I311 I312 Q317 F318 I421 | M310-A314 PolarHBondContact O-N 2.9Å; I311-A314 PolarHBondContact O-N 3.08Å; I311-A314 VanDerWaalsContact O-N 3.14Å; I312-A314 PolarHBondContact O-N 3.27Å; A314-Q317 PolarHBondContact O-N 3.42Å; A314-F318 PolarHBondContact O-N 3.22Å; A314-I421 HydrophobicContact CB-CD1 3.87Å |
| 315 | C | 95.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 34.4 Ų | 34.4 | 57% | 0.568 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -61.9 | -43.3 | 174.2 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | I311 I312 R313 Q317 F318 P319 | I311-C315 PolarHBondContact O-N 3.16Å; I311-C315 PolarHBondContact O-SG 3.31Å; I311-C315 VanDerWaalsContact O-SG 3.37Å; I312-C315 PolarHBondContact O-N 3.35Å; R313-C315 VanDerWaalsContact C-N 3.33Å; R313-C315 PolarHBondContact O-N 3.43Å; C315-Q317 VanDerWaalsContact C-N 3.27Å; C315-Q317 PolarHBondContact O-N 2.95Å; C315-F318 PolarHBondContact O-N 3.29Å; C315-P319 WeakPolarHBondContact O-CD 3.47Å |
| 316 | L | 95.4 | Very high | 94.8 | Very high | 47 Ų | 47 | 42.3 Ų | 42.3 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.9 | -25.5 | 177.1 | -71.2 | 172.9 | 0 | 0 | 0 | 113 | I312 R313 P319 L347 V350 | I312-L316 HydrophobicContact CG2-CD1 4.03Å; I312-L316 HydrophobicContact CG2-CG 4.46Å; I312-L316 WeakPolarHBondContact O-CG 3.3Å; I312-L316 PolarHBondContact O-N 2.93Å; R313-L316 PolarHBondContact O-N 3.37Å; L316-P319 WeakPolarHBondContact O-CD 3.34Å; L316-P319 WeakPolarHBondContact O-CG 3.47Å; L316-L347 HydrophobicContact CB-CD2 3.57Å; L316-L347 HydrophobicContact CB-CG 3.95Å; L316-V350 HydrophobicContact CD1-CG2 3.85Å |
| 317 | Q | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -75.9 | -29.3 | -179.9 | -168.8 | 174.4 | -14.6 | 0 | 0 | 112.3 | G251 S255 R313 A314 C315 L320 T321 L347 F413 L414 S417 | G251-Q317 PolarHBondContact O-NE2 3.37Å; S255-Q317 PolarHBondContact OG-NE2 2.98Å; R313-Q317 WeakPolarHBondContact O-CB 3.49Å; R313-Q317 PolarHBondContact O-N 2.94Å; A314-Q317 PolarHBondContact O-N 3.42Å; C315-Q317 VanDerWaalsContact C-N 3.27Å; C315-Q317 PolarHBondContact O-N 2.95Å; Q317-L320 WeakPolarHBondContact O-CB 3.22Å; Q317-L320 PolarHBondContact O-N 3.48Å; Q317-T321 PolarHBondContact O-N 2.91Å; Q317-T321 PolarHBondContact O-OG1 2.94Å; Q317-L347 HydrophobicContact CB-CD1 4.4Å; Q317-L347 HydrophobicContact CB-CD2 4.08Å; Q317-F413 PolarHBondContact NE2-O 2.92Å; Q317-L414 HydrophobicContact CB-CD1 4.06Å; Q317-L414 HydrophobicContact CG-CD1 4.22Å; Q317-S417 PolarHBondContact OE1-OG 3.08Å |
| 318 | F | 94.8 | Very high | 94.3 | Very high | 119 Ų | 119 | 47.7 Ų | 47.7 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.8 | -55.7 | 177.9 | 178.1 | -98.3 | 0 | 0 | 0 | 114.1 | A314 C315 L320 T321 M322 L414 | A314-F318 PolarHBondContact O-N 3.22Å; C315-F318 PolarHBondContact O-N 3.29Å; F318-L320 PolarHBondContact O-N 3.32Å; F318-T321 WeakPolarHBondContact O-CB 3.35Å; F318-T321 PolarHBondContact O-N 2.99Å; F318-T321 VanDerWaalsContact O-N 3.15Å; F318-M322 HydrophobicContact CE1-CG 4.32Å; F318-M322 HydrophobicContact CZ-CG 4.4Å; F318-M322 HydrophobicContact CZ-SD 4.31Å; F318-M322 PolarHBondContact O-N 2.95Å; F318-M322 VanDerWaalsContact O-N 3.16Å; F318-L414 HydrophobicContact CB-CD1 4.47Å; F318-L414 HydrophobicContact CD2-CD2 3.88Å |
| 319 | P | 94.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 45.9 Ų | 45.9 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.5 | -29.4 | 178.2 | 26.2 | -35.7 | 0 | 0 | 0 | 112.8 | C315 L316 T321 M322 I323 L343 | C315-P319 WeakPolarHBondContact O-CD 3.47Å; L316-P319 WeakPolarHBondContact O-CD 3.34Å; L316-P319 WeakPolarHBondContact O-CG 3.47Å; P319-T321 VanDerWaalsContact C-N 3.34Å; P319-M322 PolarHBondContact O-N 3.43Å; P319-I323 PolarHBondContact O-N 2.96Å; P319-L343 HydrophobicContact CB-CD1 3.83Å; P319-L343 HydrophobicContact CB-CD2 4.36Å; P319-L343 HydrophobicContact CG-CD1 3.98Å; P319-L343 HydrophobicContact CG-CD2 3.75Å |
| 320 | L | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.8 | -39.8 | 175.5 | -177.3 | 63.7 | 0 | 0 | 0 | 110.8 | M256 L259 Q317 F318 M322 I323 A324 L343 L347 Y410 | M256-L320 HydrophobicContact CE-CD2 4.06Å; L259-L320 HydrophobicContact CD1-CD1 4.33Å; L259-L320 HydrophobicContact CD2-CD1 4.23Å; Q317-L320 WeakPolarHBondContact O-CB 3.22Å; Q317-L320 PolarHBondContact O-N 3.48Å; F318-L320 PolarHBondContact O-N 3.32Å; L320-M322 VanDerWaalsContact C-N 3.31Å; L320-M322 PolarHBondContact O-N 2.73Å; L320-I323 PolarHBondContact O-N 3.37Å; L320-A324 PolarHBondContact O-N 3.43Å; L320-L343 HydrophobicContact CB-CB 4.22Å; L320-L343 HydrophobicContact CB-CD1 4.14Å; L320-L343 HydrophobicContact CD1-CB 4.21Å; L320-L347 HydrophobicContact CB-CD1 4.45Å; L320-L347 HydrophobicContact CD2-CD1 3.51Å; L320-Y410 HydrophobicContact CD2-CE1 3.96Å; L320-Y410 HydrophobicContact CG-CD1 4.35Å; L320-Y410 HydrophobicContact CG-CE1 3.87Å |
| 321 | T | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -38.3 | 173.4 | -65.8 | 0 | 0 | 0 | 0 | 112 | Q317 F318 P319 I323 A324 F325 Y410 L411 | Q317-T321 PolarHBondContact O-N 2.91Å; Q317-T321 PolarHBondContact O-OG1 2.94Å; F318-T321 WeakPolarHBondContact O-CB 3.35Å; F318-T321 PolarHBondContact O-N 2.99Å; F318-T321 VanDerWaalsContact O-N 3.15Å; P319-T321 VanDerWaalsContact C-N 3.34Å; T321-I323 PolarHBondContact O-N 3.5Å; T321-A324 WeakPolarHBondContact O-CB 3.25Å; T321-A324 PolarHBondContact O-N 2.81Å; T321-F325 HydrophobicContact CG2-CE2 4.35Å; T321-F325 WeakPolarHBondContact O-CD2 3.44Å; T321-Y410 PolarHBondContact OG1-O 2.95Å; T321-L411 HydrophobicContact CG2-CD2 3.76Å; T321-L411 HydrophobicContact CG2-CG 4.07Å |
| 322 | M | 93.6 | Very high | 93 | Very high | 78 Ų | 78 | 52.2 Ų | 52.2 | 38% | 0.384 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.1 | -62.6 | -56.6 | -69.2 | 0 | 0 | 111.8 | F318 P319 L320 A324 F325 I328 | F318-M322 HydrophobicContact CE1-CG 4.32Å; F318-M322 HydrophobicContact CZ-CG 4.4Å; F318-M322 HydrophobicContact CZ-SD 4.31Å; F318-M322 PolarHBondContact O-N 2.95Å; F318-M322 VanDerWaalsContact O-N 3.16Å; P319-M322 PolarHBondContact O-N 3.43Å; L320-M322 VanDerWaalsContact C-N 3.31Å; L320-M322 PolarHBondContact O-N 2.73Å; M322-A324 PolarHBondContact O-N 2.99Å; M322-F325 PolarHBondContact O-N 3.01Å; M322-F325 VanDerWaalsContact O-N 3.14Å; M322-I328 HydrophobicContact CB-CD1 4.02Å; M322-I328 HydrophobicContact CE-CD1 3.91Å; M322-I328 WeakPolarHBondContact O-CD1 3.47Å |
| 323 | I | 93.8 | Very high | 92.7 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.2 | -22.3 | 177.9 | -67.9 | 166.5 | 0 | 0 | 0 | 112.7 | R266 P319 L320 T321 F325 W329 I339 L343 | R266-I323 PolarHBondContact NH1-O 3.35Å; P319-I323 PolarHBondContact O-N 2.96Å; L320-I323 PolarHBondContact O-N 3.37Å; T321-I323 PolarHBondContact O-N 3.5Å; I323-F325 PolarHBondContact O-N 3.11Å; I323-W329 HydrophobicContact CG2-CE3 3.65Å; I323-W329 HydrophobicContact CG2-CZ3 3.65Å; I323-I339 HydrophobicContact CD1-CB 3.81Å; I323-I339 HydrophobicContact CD1-CG2 3.32Å; I323-L343 HydrophobicContact CD1-CD1 3.73Å |
| 324 | A | 95 | Very high | 92.5 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.8 | -20 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | M262 R266 L320 T321 M322 G407 Y410 | M262-A324 HydrophobicContact CE-CB 4.42Å; M262-A324 HydrophobicContact SD-CB 4.01Å; R266-A324 PolarHBondContact NH2-O 2.76Å; L320-A324 PolarHBondContact O-N 3.43Å; T321-A324 WeakPolarHBondContact O-CB 3.25Å; T321-A324 PolarHBondContact O-N 2.81Å; M322-A324 PolarHBondContact O-N 2.99Å; A324-G407 PolarHBondContact O-N 3.32Å; A324-Y410 HydrophobicContact CB-CD1 4Å; A324-Y410 HydrophobicContact CB-CD2 3.54Å; A324-Y410 HydrophobicContact CB-CE2 4.08Å; A324-Y410 HydrophobicContact CB-CG 3.46Å; A324-Y410 VanDerWaalsContact CB-CG 3.46Å |
| 325 | F | 94.9 | Very high | 92.4 | Very high | 52 Ų | 52 | 59.3 Ų | 59.3 | 23% | 0.228 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -72.4 | 135.7 | 174.7 | -77.1 | -88.1 | 0 | 0 | 0 | 112.5 | T321 M322 I323 S327 I328 W329 M408 L411 | T321-F325 HydrophobicContact CG2-CE2 4.35Å; T321-F325 WeakPolarHBondContact O-CD2 3.44Å; M322-F325 PolarHBondContact O-N 3.01Å; M322-F325 VanDerWaalsContact O-N 3.14Å; I323-F325 PolarHBondContact O-N 3.11Å; F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.34Å; F325-I328 PolarHBondContact O-N 3.35Å; F325-W329 PolarHBondContact O-N 3.43Å; F325-W329 VanDerWaalsContact O-N 3.16Å; F325-M408 HydrophobicContact CE1-CE 4.08Å; F325-L411 HydrophobicContact CE2-CD1 4.3Å; F325-L411 HydrophobicContact CE2-CD2 4.39Å; F325-L411 HydrophobicContact CE2-CG 4.02Å; F325-L411 HydrophobicContact CZ-CD1 3.6Å; F325-L411 HydrophobicContact CZ-CD2 4.47Å; F325-L411 HydrophobicContact CZ-CG 3.79Å |
| 326 | K | 89.1 | Confident | 92.3 | Very high | 167 Ų | 167 | 55.7 Ų | 55.7 | 73% | 0.726 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.4 | -39.6 | -177.7 | -171.8 | 175.5 | -180 | 179.5 | 0 | 112.5 | I328 W329 T330 | K326-I328 VanDerWaalsContact C-N 3.35Å; K326-I328 PolarHBondContact O-N 3.03Å; K326-W329 PolarHBondContact O-N 3.39Å; K326-T330 HydrophobicContact CG-CG2 4.06Å; K326-T330 WeakPolarHBondContact O-CG2 3.42Å; K326-T330 PolarHBondContact O-N 2.95Å; K326-T330 PolarHBondContact O-OG1 3.07Å |
| 327 | S | 89.7 | Confident | 92.3 | Very high | 86 Ų | 86 | 53.5 Ų | 53.5 | 60% | 0.601 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.8 | -37.6 | -176.5 | 78 | 0 | 0 | 0 | 0 | 113.1 | F325 T330 S331 | F325-S327 VanDerWaalsContact C-N 3.31Å; F325-S327 PolarHBondContact O-N 3.34Å; S327-T330 PolarHBondContact O-OG1 3.19Å; S327-S331 PolarHBondContact O-OG 2.87Å |
| 328 | I | 87.7 | Confident | 92.3 | Very high | 62 Ų | 62 | 59.1 Ų | 59.1 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -71.6 | -45.1 | 177.6 | -67.7 | 170.1 | 0 | 0 | 0 | 109 | M322 F325 K326 T330 S331 | M322-I328 HydrophobicContact CB-CD1 4.02Å; M322-I328 HydrophobicContact CE-CD1 3.91Å; M322-I328 WeakPolarHBondContact O-CD1 3.47Å; F325-I328 PolarHBondContact O-N 3.35Å; K326-I328 VanDerWaalsContact C-N 3.35Å; K326-I328 PolarHBondContact O-N 3.03Å; I328-T330 PolarHBondContact O-N 3.44Å; I328-S331 WeakPolarHBondContact O-CB 3.32Å; I328-S331 PolarHBondContact O-N 3.33Å |
| 329 | W | 88.5 | Confident | 92.3 | Very high | 13 Ų | 13 | 57.1 Ų | 57.1 | 5% | 0.049 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -46.7 | -178.9 | -171.2 | -88.1 | 0 | 0 | 0 | 113.6 | L263 R266 F268 I323 F325 K326 S331 A332 P333 S336 F337 | L263-W329 HydrophobicContact CD2-CH2 3.41Å; L263-W329 VanDerWaalsContact CD2-CH2 3.41Å; L263-W329 HydrophobicContact CD2-CZ2 4.29Å; L263-W329 HydrophobicContact CD2-CZ3 4.13Å; R266-W329 HydrophobicContact CB-CZ2 3.84Å; R266-W329 VanDerWaalsContact CD-CD2 3.49Å; R266-W329 HydrophobicContact CG-CZ2 4.31Å; R266-W329 VanDerWaalsContact NH1-CZ3 3.32Å; F268-W329 HydrophobicContact CD2-CZ2 4.22Å; F268-W329 HydrophobicContact CE2-CH2 4.4Å; F268-W329 AromaticContact CE2-CZ2 3.56Å; F268-W329 HydrophobicContact CE2-CZ2 3.56Å; F268-W329 HydrophobicContact CZ-CZ2 4.33Å; I323-W329 HydrophobicContact CG2-CE3 3.65Å; I323-W329 HydrophobicContact CG2-CZ3 3.65Å; F325-W329 PolarHBondContact O-N 3.43Å; F325-W329 VanDerWaalsContact O-N 3.16Å; K326-W329 PolarHBondContact O-N 3.39Å; W329-S331 PolarHBondContact O-N 3.5Å; W329-A332 CarbonylContact O-C 3.55Å; W329-A332 PolarHBondContact O-N 3.45Å; W329-P333 WeakPolarHBondContact O-CA 3.41Å; W329-S336 VanDerWaalsContact CZ3-C 3.47Å; W329-S336 VanDerWaalsContact CZ3-CB 3.41Å; W329-S336 WeakPolarHBondContact CZ3-O 3.47Å; W329-F337 HydrophobicContact CH2-CB 4.18Å |
| 330 | T | 87.2 | Confident | 92.3 | Very high | 89 Ų | 89 | 55 Ų | 55 | 55% | 0.546 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.8 | -21.8 | -176.9 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | K326 S327 I328 | K326-T330 HydrophobicContact CG-CG2 4.06Å; K326-T330 WeakPolarHBondContact O-CG2 3.42Å; K326-T330 PolarHBondContact O-N 2.95Å; K326-T330 PolarHBondContact O-OG1 3.07Å; S327-T330 PolarHBondContact O-OG1 3.19Å; I328-T330 PolarHBondContact O-N 3.44Å |
| 331 | S | 88.8 | Confident | 92.3 | Very high | 101 Ų | 101 | 55 Ų | 55 | 71% | 0.706 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -70.7 | -35.6 | 179.5 | -58.7 | 0 | 0 | 0 | 0 | 112.3 | S327 I328 W329 | S327-S331 PolarHBondContact O-OG 2.87Å; I328-S331 WeakPolarHBondContact O-CB 3.32Å; I328-S331 PolarHBondContact O-N 3.33Å; W329-S331 PolarHBondContact O-N 3.5Å |
| 332 | A | 89.6 | Confident | 92.3 | Very high | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | trans | -154.5 | 79.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | W329 N334 V335 S336 | W329-A332 CarbonylContact O-C 3.55Å; W329-A332 PolarHBondContact O-N 3.45Å; A332-N334 PolarHBondContact O-N 3.34Å; A332-V335 HydrophobicContact CB-CB 3.96Å; A332-V335 HydrophobicContact CB-CG2 4.18Å; A332-V335 PolarHBondContact O-N 2.9Å; A332-S336 VanDerWaalsContact O-CB 3.31Å; A332-S336 WeakPolarHBondContact O-CB 3.48Å; A332-S336 PolarHBondContact O-N 3.26Å; A332-S336 PolarHBondContact O-OG 3.12Å | ||
| 333 | P | 90.1 | Very high | 92.5 | Very high | 60 Ų | 60 | 57.1 Ų | 57.1 | 39% | 0.39 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | -170.3 | 21.7 | -32.8 | 0 | 0 | 0 | 113.4 | W329 S336 F337 | W329-P333 WeakPolarHBondContact O-CA 3.41Å; P333-S336 PolarHBondContact O-N 3.33Å; P333-F337 PolarHBondContact O-N 3.21Å |
| 334 | N | 92.4 | Very high | 92.5 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 56% | 0.561 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68 | -40.7 | 179.3 | -75.2 | -31.8 | 0 | 0 | 0 | 112.7 | A332 F337 W338 | A332-N334 PolarHBondContact O-N 3.34Å; N334-F337 PolarHBondContact O-N 3.2Å; N334-W338 PolarHBondContact O-N 2.83Å |
| 335 | V | 93.7 | Very high | 92.6 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 50% | 0.497 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 176.3 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | A332 F337 W338 I339 | A332-V335 HydrophobicContact CB-CB 3.96Å; A332-V335 HydrophobicContact CB-CG2 4.18Å; A332-V335 PolarHBondContact O-N 2.9Å; V335-F337 VanDerWaalsContact C-N 3.3Å; V335-F337 PolarHBondContact O-N 3.48Å; V335-W338 PolarHBondContact O-N 2.97Å; V335-W338 VanDerWaalsContact O-N 3.16Å; V335-I339 HydrophobicContact CG1-CD1 3.54Å; V335-I339 HydrophobicContact CG1-CG1 4.11Å; V335-I339 WeakPolarHBondContact O-CG1 3.24Å; V335-I339 PolarHBondContact O-N 3.47Å |
| 336 | S | 93.3 | Very high | 92.7 | Very high | 8 Ų | 8 | 56.9 Ų | 56.9 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.1 | -35.6 | 179.4 | -56.7 | 0 | 0 | 0 | 0 | 112.7 | W329 A332 P333 G340 | W329-S336 VanDerWaalsContact CZ3-C 3.47Å; W329-S336 VanDerWaalsContact CZ3-CB 3.41Å; W329-S336 WeakPolarHBondContact CZ3-O 3.47Å; A332-S336 VanDerWaalsContact O-CB 3.31Å; A332-S336 WeakPolarHBondContact O-CB 3.48Å; A332-S336 PolarHBondContact O-N 3.26Å; A332-S336 PolarHBondContact O-OG 3.12Å; P333-S336 PolarHBondContact O-N 3.33Å; S336-G340 WeakPolarHBondContact O-CA 3.23Å; S336-G340 PolarHBondContact O-N 3.41Å |
| 337 | F | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -53.4 | 170.7 | 173.2 | -86.3 | 0 | 0 | 0 | 111.6 | L263 F268 K272 W276 W329 P333 N334 V335 G340 C341 | L263-F337 HydrophobicContact CD1-CD2 4.15Å; L263-F337 HydrophobicContact CD1-CE2 3.9Å; L263-F337 HydrophobicContact CD2-CD2 3.96Å; L263-F337 HydrophobicContact CG-CD2 4.45Å; F268-F337 HydrophobicContact CB-CD2 4.31Å; F268-F337 HydrophobicContact CB-CE2 4.25Å; F268-F337 HydrophobicContact CD1-CB 4.33Å; F268-F337 AromaticContact CD1-CD2 3.3Å; F268-F337 HydrophobicContact CD1-CD2 3.3Å; F268-F337 AromaticContact CD1-CE2 3.7Å; F268-F337 HydrophobicContact CD1-CE2 3.7Å; F268-F337 AromaticContact CD1-CG 3.8Å; F268-F337 HydrophobicContact CD1-CG 3.8Å; F268-F337 HydrophobicContact CD1-CZ 4.5Å; F268-F337 AromaticContact CD2-CD2 3.94Å; F268-F337 HydrophobicContact CD2-CD2 3.94Å; F268-F337 HydrophobicContact CE1-CB 3.59Å; F268-F337 HydrophobicContact CE1-CD1 4.24Å; F268-F337 AromaticContact CE1-CD2 3.48Å; F268-F337 HydrophobicContact CE1-CD2 3.48Å; F268-F337 VanDerWaalsContact CE1-CD2 3.48Å; F268-F337 HydrophobicContact CE1-CE2 4.27Å; F268-F337 AromaticContact CE1-CG 3.49Å; F268-F337 HydrophobicContact CE1-CG 3.49Å; F268-F337 VanDerWaalsContact CE1-CG 3.49Å; F268-F337 HydrophobicContact CE2-CB 4.08Å; F268-F337 HydrophobicContact CE2-CD2 4.14Å; F268-F337 HydrophobicContact CE2-CG 4.47Å; F268-F337 AromaticContact CG-CD2 3.54Å; F268-F337 HydrophobicContact CG-CD2 3.54Å; F268-F337 AromaticContact CG-CE2 3.94Å; F268-F337 HydrophobicContact CG-CE2 3.94Å; F268-F337 HydrophobicContact CG-CG 4.4Å; F268-F337 HydrophobicContact CZ-CB 3.45Å; F268-F337 VanDerWaalsContact CZ-CB 3.45Å; F268-F337 AromaticContact CZ-CD2 3.91Å; F268-F337 HydrophobicContact CZ-CD2 3.91Å; F268-F337 AromaticContact CZ-CG 3.87Å; F268-F337 HydrophobicContact CZ-CG 3.87Å; K272-F337 HydrophobicContact CD-CE1 4.45Å; K272-F337 HydrophobicContact CD-CZ 4.08Å; K272-F337 VanDerWaalsContact CE-CE1 3.4Å; K272-F337 HydrophobicContact CG-CE1 4.49Å; K272-F337 HydrophobicContact CG-CE2 4.37Å; K272-F337 HydrophobicContact CG-CZ 3.82Å; W276-F337 HydrophobicContact CG-CZ 4.39Å; W329-F337 HydrophobicContact CH2-CB 4.18Å; P333-F337 PolarHBondContact O-N 3.21Å; N334-F337 PolarHBondContact O-N 3.2Å; V335-F337 VanDerWaalsContact C-N 3.3Å; V335-F337 PolarHBondContact O-N 3.48Å; F337-G340 PolarHBondContact O-N 3.4Å; F337-C341 PolarHBondContact O-N 2.97Å; F337-C341 PolarHBondContact O-SG 3.27Å |
| 338 | W | 95.7 | Very high | 93.4 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.7 | -42.6 | -175.8 | -72.5 | 120.9 | 0 | 0 | 0 | 112.8 | W276 N334 V335 G340 C341 L342 | W276-W338 AromaticContact CD2-CZ3 3.94Å; W276-W338 HydrophobicContact CD2-CZ3 3.94Å; W276-W338 AromaticContact CE2-CH2 3.71Å; W276-W338 AromaticContact CE2-CZ3 3.44Å; W276-W338 VanDerWaalsContact CE2-CZ3 3.44Å; W276-W338 HydrophobicContact CE3-CZ3 4.33Å; W276-W338 HydrophobicContact CH2-CH2 4.46Å; W276-W338 AromaticContact CH2-CZ3 3.86Å; W276-W338 HydrophobicContact CH2-CZ3 3.86Å; W276-W338 AromaticContact CZ2-CH2 3.66Å; W276-W338 HydrophobicContact CZ2-CH2 3.66Å; W276-W338 AromaticContact CZ2-CZ3 3.42Å; W276-W338 HydrophobicContact CZ2-CZ3 3.42Å; W276-W338 VanDerWaalsContact CZ2-CZ3 3.42Å; W276-W338 HydrophobicContact CZ3-CZ3 4.29Å; W276-W338 AromaticContact NE1-CH2 3.74Å; W276-W338 AromaticContact NE1-CZ3 3.82Å; N334-W338 PolarHBondContact O-N 2.83Å; V335-W338 PolarHBondContact O-N 2.97Å; V335-W338 VanDerWaalsContact O-N 3.16Å; W338-G340 VanDerWaalsContact C-N 3.33Å; W338-C341 PolarHBondContact O-N 2.93Å; W338-L342 WeakPolarHBondContact O-CB 3.23Å; W338-L342 PolarHBondContact O-N 3.19Å |
| 339 | I | 94.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 40% | 0.395 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 175 | -59.7 | 175.6 | 0 | 0 | 0 | 110.2 | I323 V335 C341 L342 L343 | I323-I339 HydrophobicContact CD1-CB 3.81Å; I323-I339 HydrophobicContact CD1-CG2 3.32Å; V335-I339 HydrophobicContact CG1-CD1 3.54Å; V335-I339 HydrophobicContact CG1-CG1 4.11Å; V335-I339 WeakPolarHBondContact O-CG1 3.24Å; V335-I339 PolarHBondContact O-N 3.47Å; I339-C341 PolarHBondContact O-N 3.43Å; I339-L342 PolarHBondContact O-N 2.93Å; I339-L343 HydrophobicContact CG2-CD1 3.75Å; I339-L343 HydrophobicContact CG2-CG 4.11Å; I339-L343 WeakPolarHBondContact O-CB 3.24Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.44Å; I339-L343 PolarHBondContact O-N 3.04Å |
| 340 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | S336 F337 W338 M344 | S336-G340 WeakPolarHBondContact O-CA 3.23Å; S336-G340 PolarHBondContact O-N 3.41Å; F337-G340 PolarHBondContact O-N 3.4Å; W338-G340 VanDerWaalsContact C-N 3.33Å; G340-M344 WeakPolarHBondContact O-CB 3.21Å; G340-M344 PolarHBondContact O-N 3.49Å |
| 341 | C | 95.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.6 | -48.2 | 174.7 | -69 | 0 | 0 | 0 | 0 | 111.7 | F337 W338 I339 L343 M344 D345 | F337-C341 PolarHBondContact O-N 2.97Å; F337-C341 PolarHBondContact O-SG 3.27Å; W338-C341 PolarHBondContact O-N 2.93Å; I339-C341 PolarHBondContact O-N 3.43Å; C341-L343 VanDerWaalsContact C-N 3.34Å; C341-L343 PolarHBondContact O-N 3.4Å; C341-M344 WeakPolarHBondContact O-CB 3.1Å; C341-M344 PolarHBondContact O-N 3.02Å; C341-D345 WeakPolarHBondContact O-CB 3.21Å; C341-D345 VanDerWaalsContact O-CG 3.23Å; C341-D345 PolarHBondContact O-N 2.98Å |
| 342 | L | 96.2 | Very high | 95.1 | Very high | 106 Ų | 106 | 36 Ų | 36 | 56% | 0.555 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -59.3 | -43.3 | 179.9 | -178.7 | 149.8 | 0 | 0 | 0 | 112.5 | W338 I339 D345 S346 | W338-L342 WeakPolarHBondContact O-CB 3.23Å; W338-L342 PolarHBondContact O-N 3.19Å; I339-L342 PolarHBondContact O-N 2.93Å; L342-D345 PolarHBondContact O-N 2.76Å; L342-S346 WeakPolarHBondContact O-CB 3.39Å; L342-S346 PolarHBondContact O-N 2.95Å; L342-S346 PolarHBondContact O-OG 2.86Å |
| 343 | L | 96.2 | Very high | 95.5 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 177.7 | -71.6 | 173.2 | 0 | 0 | 0 | 111.9 | P319 L320 I323 I339 C341 S346 L347 | P319-L343 HydrophobicContact CB-CD1 3.83Å; P319-L343 HydrophobicContact CB-CD2 4.36Å; P319-L343 HydrophobicContact CG-CD1 3.98Å; P319-L343 HydrophobicContact CG-CD2 3.75Å; L320-L343 HydrophobicContact CB-CB 4.22Å; L320-L343 HydrophobicContact CB-CD1 4.14Å; L320-L343 HydrophobicContact CD1-CB 4.21Å; I323-L343 HydrophobicContact CD1-CD1 3.73Å; I339-L343 HydrophobicContact CG2-CD1 3.75Å; I339-L343 HydrophobicContact CG2-CG 4.11Å; I339-L343 WeakPolarHBondContact O-CB 3.24Å; I339-L343 VanDerWaalsContact O-CG 3.3Å; I339-L343 WeakPolarHBondContact O-CG 3.44Å; I339-L343 PolarHBondContact O-N 3.04Å; C341-L343 VanDerWaalsContact C-N 3.34Å; C341-L343 PolarHBondContact O-N 3.4Å; L343-S346 PolarHBondContact O-N 2.76Å; L343-L347 WeakPolarHBondContact O-CB 3.11Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 2.81Å |
| 344 | M | 95.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61 | -47.3 | 173.9 | -173.9 | -156.6 | 61.3 | 0 | 0 | 111.5 | M256 L259 T277 G340 C341 S346 L347 L348 | M256-M344 HydrophobicContact CE-CB 4.39Å; M256-M344 HydrophobicContact CE-CG 3.7Å; M256-M344 HydrophobicContact SD-CG 3.41Å; M256-M344 WeakPolarHBondContact SD-CG 3.24Å; M256-M344 HydrophobicContact SD-SD 4.44Å; L259-M344 HydrophobicContact CD2-CB 3.38Å; L259-M344 HydrophobicContact CD2-CG 3.58Å; L259-M344 HydrophobicContact CD2-SD 3.67Å; T277-M344 HydrophobicContact CG2-CE 4.23Å; T277-M344 HydrophobicContact CG2-SD 4.01Å; G340-M344 WeakPolarHBondContact O-CB 3.21Å; G340-M344 PolarHBondContact O-N 3.49Å; C341-M344 WeakPolarHBondContact O-CB 3.1Å; C341-M344 PolarHBondContact O-N 3.02Å; M344-S346 VanDerWaalsContact C-N 3.34Å; M344-S346 PolarHBondContact O-N 3Å; M344-L347 WeakPolarHBondContact O-CB 3.32Å; M344-L347 PolarHBondContact O-N 3.43Å; M344-L348 HydrophobicContact CE-CD1 4Å; M344-L348 HydrophobicContact CG-CD1 3.98Å; M344-L348 WeakPolarHBondContact O-CB 3.25Å; M344-L348 VanDerWaalsContact O-CG 3.32Å; M344-L348 WeakPolarHBondContact O-CG 3.21Å; M344-L348 PolarHBondContact O-N 2.96Å; M344-L348 HydrophobicContact SD-CD1 4.2Å |
| 345 | D | 96.6 | Very high | 95.9 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | 179.3 | -67.1 | -25.2 | 0 | 0 | 0 | 110.5 | V280 G281 A284 C341 L342 L347 L348 V349 | V280-D345 WeakPolarHBondContact CG1-OD2 3.39Å; G281-D345 WeakPolarHBondContact CA-OD1 3.27Å; G281-D345 PolarHBondContact N-OD1 3.09Å; A284-D345 HydrophobicContact CB-CB 3.99Å; A284-D345 WeakPolarHBondContact CB-O 3.33Å; C341-D345 WeakPolarHBondContact O-CB 3.21Å; C341-D345 VanDerWaalsContact O-CG 3.23Å; C341-D345 PolarHBondContact O-N 2.98Å; L342-D345 PolarHBondContact O-N 2.76Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 2.92Å; D345-L348 PolarHBondContact O-N 3.49Å; D345-L348 VanDerWaalsContact O-N 3.11Å; D345-V349 WeakPolarHBondContact O-CG2 3.37Å; D345-V349 PolarHBondContact O-N 3.45Å |
| 346 | S | 97.2 | Very high | 96 | Very high | 40 Ų | 40 | 22.9 Ų | 22.9 | 28% | 0.28 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | L342 L343 M344 L348 V349 V350 | L342-S346 WeakPolarHBondContact O-CB 3.39Å; L342-S346 PolarHBondContact O-N 2.95Å; L342-S346 PolarHBondContact O-OG 2.86Å; L343-S346 PolarHBondContact O-N 2.76Å; M344-S346 VanDerWaalsContact C-N 3.34Å; M344-S346 PolarHBondContact O-N 3Å; S346-L348 VanDerWaalsContact C-N 3.35Å; S346-V349 PolarHBondContact O-N 3.3Å; S346-V350 PolarHBondContact O-N 3.33Å |
| 347 | L | 96.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.4 | -77.4 | 165.6 | 0 | 0 | 0 | 111.7 | M256 R313 L316 Q317 L320 L343 M344 D345 V350 S351 | M256-L347 HydrophobicContact CE-CB 4.35Å; M256-L347 HydrophobicContact CE-CD1 3.94Å; R313-L347 HydrophobicContact CB-CD2 4.43Å; R313-L347 HydrophobicContact CG-CD2 3.58Å; R313-L347 WeakPolarHBondContact O-CD2 3.28Å; L316-L347 HydrophobicContact CB-CD2 3.57Å; L316-L347 HydrophobicContact CB-CG 3.95Å; Q317-L347 HydrophobicContact CB-CD1 4.4Å; Q317-L347 HydrophobicContact CB-CD2 4.08Å; L320-L347 HydrophobicContact CB-CD1 4.45Å; L320-L347 HydrophobicContact CD2-CD1 3.51Å; L343-L347 WeakPolarHBondContact O-CB 3.11Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.45Å; L343-L347 PolarHBondContact O-N 2.81Å; M344-L347 WeakPolarHBondContact O-CB 3.32Å; M344-L347 PolarHBondContact O-N 3.43Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-L347 PolarHBondContact O-N 2.92Å; L347-V350 PolarHBondContact O-N 3.01Å; L347-S351 WeakPolarHBondContact O-CB 3.17Å; L347-S351 PolarHBondContact O-N 3.42Å; L347-S351 PolarHBondContact O-OG 3.36Å; L347-S351 VanDerWaalsContact O-OG 3.1Å |
| 348 | L | 97.2 | Very high | 96.1 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.4 | -34.7 | -179.8 | -75 | 169.6 | 0 | 0 | 0 | 112.5 | M256 G281 A284 S285 M344 D345 S346 S351 G352 | M256-L348 HydrophobicContact CG-CD2 4Å; M256-L348 HydrophobicContact SD-CD1 4.03Å; M256-L348 HydrophobicContact SD-CD2 3.71Å; M256-L348 HydrophobicContact SD-CG 3.65Å; G281-L348 VanDerWaalsContact CA-CD1 3.49Å; G281-L348 WeakPolarHBondContact O-CD1 3.33Å; A284-L348 HydrophobicContact CB-CB 4.36Å; S285-L348 WeakPolarHBondContact CA-O 3.44Å; M344-L348 HydrophobicContact CE-CD1 4Å; M344-L348 HydrophobicContact CG-CD1 3.98Å; M344-L348 WeakPolarHBondContact O-CB 3.25Å; M344-L348 VanDerWaalsContact O-CG 3.32Å; M344-L348 WeakPolarHBondContact O-CG 3.21Å; M344-L348 PolarHBondContact O-N 2.96Å; M344-L348 HydrophobicContact SD-CD1 4.2Å; D345-L348 PolarHBondContact O-N 3.49Å; D345-L348 VanDerWaalsContact O-N 3.11Å; S346-L348 VanDerWaalsContact C-N 3.35Å; L348-S351 PolarHBondContact O-N 2.92Å; L348-G352 PolarHBondContact O-N 3.05Å |
| 349 | V | 97.6 | Very high | 96.1 | Very high | 50 Ų | 50 | 18.2 Ų | 18.2 | 30% | 0.303 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -56.8 | -51.4 | 168.9 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | A284 G288 D345 S346 S351 G352 G353 | A284-V349 HydrophobicContact CB-CG2 3.9Å; A284-V349 WeakPolarHBondContact O-CA 3.48Å; A284-V349 WeakPolarHBondContact O-CG2 3.4Å; G288-V349 WeakPolarHBondContact CA-O 3.36Å; D345-V349 WeakPolarHBondContact O-CG2 3.37Å; D345-V349 PolarHBondContact O-N 3.45Å; S346-V349 PolarHBondContact O-N 3.3Å; V349-S351 PolarHBondContact O-N 3.04Å; V349-G352 PolarHBondContact O-N 3.31Å; V349-G353 PolarHBondContact O-N 3.21Å |
| 350 | V | 97.1 | Very high | 96 | Very high | 16 Ų | 16 | 14.5 Ų | 14.5 | 10% | 0.097 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.2 | -43.6 | -178.6 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | L309 I312 R313 L316 S346 L347 G352 G353 I354 | L309-V350 HydrophobicContact CB-CG1 3.99Å; L309-V350 HydrophobicContact CD2-CG1 4.15Å; L309-V350 WeakPolarHBondContact O-CG1 3.32Å; I312-V350 HydrophobicContact CG2-CG2 3.95Å; R313-V350 HydrophobicContact CB-CB 4.47Å; R313-V350 HydrophobicContact CB-CG1 3.79Å; L316-V350 HydrophobicContact CD1-CG2 3.85Å; S346-V350 PolarHBondContact O-N 3.33Å; L347-V350 PolarHBondContact O-N 3.01Å; V350-G352 VanDerWaalsContact C-N 3.34Å; V350-G352 PolarHBondContact O-N 3.35Å; V350-G353 PolarHBondContact O-N 3.41Å; V350-I354 HydrophobicContact CG1-CD1 4.04Å; V350-I354 WeakPolarHBondContact O-CG1 3.5Å; V350-I354 PolarHBondContact O-N 3.4Å |
| 351 | S | 96.5 | Very high | 95.9 | Very high | 3 Ų | 3 | 14.5 Ų | 14.5 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.7 | -35.3 | 177.7 | -68.6 | 0 | 0 | 0 | 0 | 113.5 | E252 L347 L348 V349 I354 T355 | E252-S351 WeakPolarHBondContact CG-OG 3.42Å; E252-S351 VanDerWaalsContact OE1-CB 3.27Å; E252-S351 WeakPolarHBondContact OE1-CB 3.49Å; E252-S351 PolarHBondContact OE1-OG 3.15Å; E252-S351 VanDerWaalsContact OE1-OG 3.11Å; L347-S351 WeakPolarHBondContact O-CB 3.17Å; L347-S351 PolarHBondContact O-N 3.42Å; L347-S351 PolarHBondContact O-OG 3.36Å; L347-S351 VanDerWaalsContact O-OG 3.1Å; L348-S351 PolarHBondContact O-N 2.92Å; V349-S351 PolarHBondContact O-N 3.04Å; S351-I354 PolarHBondContact O-N 3.16Å; S351-T355 WeakPolarHBondContact O-CB 3.48Å; S351-T355 PolarHBondContact O-N 2.96Å; S351-T355 PolarHBondContact O-OG1 2.84Å |
| 352 | G | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S289 L348 V349 V350 I354 T355 T356 | S289-G352 WeakPolarHBondContact OG-CA 3.36Å; L348-G352 PolarHBondContact O-N 3.05Å; V349-G352 PolarHBondContact O-N 3.31Å; V350-G352 VanDerWaalsContact C-N 3.34Å; V350-G352 PolarHBondContact O-N 3.35Å; G352-I354 PolarHBondContact O-N 3.35Å; G352-T355 PolarHBondContact O-N 3.31Å; G352-T356 PolarHBondContact O-N 3.16Å; G352-T356 VanDerWaalsContact O-N 3.1Å; G352-T356 PolarHBondContact O-OG1 2.96Å |
| 353 | G | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 9.5 Ų | 9.5 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.3 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G288 V349 V350 T355 T356 I357 | G288-G353 VanDerWaalsContact C-N 3.31Å; G288-G353 WeakPolarHBondContact O-CA 3.4Å; G288-G353 PolarHBondContact O-N 3.38Å; V349-G353 PolarHBondContact O-N 3.21Å; V350-G353 PolarHBondContact O-N 3.41Å; G353-T355 PolarHBondContact O-N 3.37Å; G353-T356 PolarHBondContact O-N 3.02Å; G353-I357 WeakPolarHBondContact O-CD1 3.27Å; G353-I357 VanDerWaalsContact O-CG1 3.29Å; G353-I357 WeakPolarHBondContact O-CG1 3.24Å; G353-I357 PolarHBondContact O-N 2.92Å |
| 354 | I | 96.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 175.7 | -65.2 | 166.9 | 0 | 0 | 0 | 110.6 | Y248 L309 M310 R313 V350 S351 G352 T356 I357 I358 | Y248-I354 HydrophobicContact CD2-CG2 3.77Å; Y248-I354 HydrophobicContact CE2-CG2 3.83Å; L309-I354 HydrophobicContact CB-CD1 4Å; L309-I354 HydrophobicContact CB-CG1 3.54Å; L309-I354 HydrophobicContact CD1-CG1 4.19Å; M310-I354 HydrophobicContact CE-CG2 4.09Å; M310-I354 HydrophobicContact CG-CD1 3.96Å; R313-I354 HydrophobicContact CB-CD1 4.39Å; V350-I354 HydrophobicContact CG1-CD1 4.04Å; V350-I354 WeakPolarHBondContact O-CG1 3.5Å; V350-I354 PolarHBondContact O-N 3.4Å; S351-I354 PolarHBondContact O-N 3.16Å; G352-I354 PolarHBondContact O-N 3.35Å; I354-T356 PolarHBondContact O-N 2.82Å; I354-I357 PolarHBondContact O-N 2.88Å; I354-I358 HydrophobicContact CG2-CG1 4.02Å; I354-I358 WeakPolarHBondContact O-CB 3.28Å; I354-I358 VanDerWaalsContact O-CG1 3.25Å; I354-I358 WeakPolarHBondContact O-CG1 3.44Å; I354-I358 PolarHBondContact O-N 3.37Å |
| 355 | T | 96.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 11.6 Ų | 11.6 | 4% | 0.037 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.6 | -47.5 | -177.1 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | V140 K249 S351 G352 G353 I357 I358 F359 | V140-T355 HydrophobicContact CG1-CG2 4.42Å; V140-T355 HydrophobicContact CG2-CG2 4.12Å; K249-T355 PolarHBondContact NZ-OG1 2.78Å; S351-T355 WeakPolarHBondContact O-CB 3.48Å; S351-T355 PolarHBondContact O-N 2.96Å; S351-T355 PolarHBondContact O-OG1 2.84Å; G352-T355 PolarHBondContact O-N 3.31Å; G353-T355 PolarHBondContact O-N 3.37Å; T355-I357 VanDerWaalsContact C-N 3.35Å; T355-I357 PolarHBondContact O-N 3.43Å; T355-I358 PolarHBondContact O-N 3.28Å; T355-F359 HydrophobicContact CG2-CD2 4.35Å; T355-F359 HydrophobicContact CG2-CE1 4.34Å; T355-F359 HydrophobicContact CG2-CE2 4.07Å; T355-F359 HydrophobicContact CG2-CZ 4.07Å; T355-F359 PolarHBondContact O-N 3.38Å |
| 356 | T | 95.4 | Very high | 95 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.1 | -40.4 | 179.4 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | T137 S289 G352 G353 I354 T360 | T137-T356 WeakPolarHBondContact OG1-CG2 3.39Å; S289-T356 WeakPolarHBondContact CA-OG1 3.37Å; S289-T356 WeakPolarHBondContact CB-OG1 3.46Å; S289-T356 PolarHBondContact O-OG1 2.92Å; G352-T356 PolarHBondContact O-N 3.16Å; G352-T356 VanDerWaalsContact O-N 3.1Å; G352-T356 PolarHBondContact O-OG1 2.96Å; G353-T356 PolarHBondContact O-N 3.02Å; I354-T356 PolarHBondContact O-N 2.82Å; T356-T360 WeakPolarHBondContact O-CB 3.42Å; T356-T360 PolarHBondContact O-N 2.83Å; T356-T360 PolarHBondContact O-OG1 3.06Å |
| 357 | I | 94.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -70.9 | -39.7 | 178.6 | -57.7 | 164 | 0 | 0 | 0 | 110.6 | Q296 P302 V306 L309 G353 I354 T355 T360 L361 | Q296-I357 HydrophobicContact CB-CG1 4.31Å; P302-I357 HydrophobicContact CB-CG2 3.85Å; V306-I357 HydrophobicContact CG2-CB 3.72Å; V306-I357 HydrophobicContact CG2-CD1 4.39Å; V306-I357 HydrophobicContact CG2-CG2 3.37Å; L309-I357 HydrophobicContact CD1-CD1 3.77Å; G353-I357 WeakPolarHBondContact O-CD1 3.27Å; G353-I357 VanDerWaalsContact O-CG1 3.29Å; G353-I357 WeakPolarHBondContact O-CG1 3.24Å; G353-I357 PolarHBondContact O-N 2.92Å; I354-I357 PolarHBondContact O-N 2.88Å; T355-I357 VanDerWaalsContact C-N 3.35Å; T355-I357 PolarHBondContact O-N 3.43Å; I357-T360 WeakPolarHBondContact O-CB 3.39Å; I357-T360 PolarHBondContact O-N 3.42Å; I357-L361 HydrophobicContact CG2-CD1 4.44Å; I357-L361 WeakPolarHBondContact O-CG 3.38Å; I357-L361 PolarHBondContact O-N 3.27Å |
| 358 | I | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -44 | 175.9 | -71.8 | -71.5 | 0 | 0 | 0 | 111.5 | L244 L245 Y248 V306 I354 T355 T360 L361 M362 | L244-I358 HydrophobicContact CD2-CD1 3.85Å; L244-I358 HydrophobicContact CG-CD1 4.37Å; L245-I358 HydrophobicContact CD2-CG2 3.29Å; Y248-I358 HydrophobicContact CD2-CG1 4.28Å; Y248-I358 HydrophobicContact CE1-CG2 4.15Å; Y248-I358 HydrophobicContact CE2-CB 4.49Å; Y248-I358 HydrophobicContact CE2-CG1 4Å; V306-I358 HydrophobicContact CG1-CD1 4.18Å; V306-I358 HydrophobicContact CG2-CD1 4.41Å; V306-I358 HydrophobicContact CG2-CG1 4.5Å; I354-I358 HydrophobicContact CG2-CG1 4.02Å; I354-I358 WeakPolarHBondContact O-CB 3.28Å; I354-I358 VanDerWaalsContact O-CG1 3.25Å; I354-I358 WeakPolarHBondContact O-CG1 3.44Å; I354-I358 PolarHBondContact O-N 3.37Å; T355-I358 PolarHBondContact O-N 3.28Å; I358-T360 VanDerWaalsContact C-N 3.31Å; I358-T360 PolarHBondContact O-N 3.44Å; I358-L361 HydrophobicContact CD1-CD1 4.28Å; I358-L361 WeakPolarHBondContact O-CB 3.46Å; I358-L361 PolarHBondContact O-N 3.06Å; I358-L361 VanDerWaalsContact O-N 3.15Å; I358-M362 HydrophobicContact CG2-SD 4.06Å; I358-M362 WeakPolarHBondContact O-CG 3.45Å; I358-M362 PolarHBondContact O-N 3.22Å |
| 359 | F | 95 | Very high | 93.8 | Very high | 29 Ų | 29 | 16.9 Ų | 16.9 | 13% | 0.127 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.1 | -37.3 | 176 | -74.4 | -0.3 | 0 | 0 | 0 | 112.2 | N136 V140 T355 L361 M362 M363 E386 | N136-F359 HydrophobicContact CB-CB 4.24Å; V140-F359 HydrophobicContact CG2-CD2 3.53Å; V140-F359 HydrophobicContact CG2-CE2 3.85Å; T355-F359 HydrophobicContact CG2-CD2 4.35Å; T355-F359 HydrophobicContact CG2-CE1 4.34Å; T355-F359 HydrophobicContact CG2-CE2 4.07Å; T355-F359 HydrophobicContact CG2-CZ 4.07Å; T355-F359 PolarHBondContact O-N 3.38Å; F359-L361 VanDerWaalsContact C-N 3.34Å; F359-L361 PolarHBondContact O-N 3.04Å; F359-M362 HydrophobicContact CD1-CE 4.29Å; F359-M362 HydrophobicContact CD1-SD 3.61Å; F359-M362 HydrophobicContact CE1-CE 4.48Å; F359-M362 HydrophobicContact CE1-SD 4.07Å; F359-M362 WeakPolarHBondContact O-CB 3.27Å; F359-M362 PolarHBondContact O-N 3.38Å; F359-M363 PolarHBondContact O-N 3.5Å; F359-E386 HydrophobicContact CE1-CG 4.35Å |
| 360 | T | 92.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -61 | -43 | 171.5 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | I132 Q296 T356 I357 I358 M363 H364 | I132-T360 HydrophobicContact CG2-CG2 4.25Å; Q296-T360 VanDerWaalsContact NE2-CG2 3.32Å; T356-T360 WeakPolarHBondContact O-CB 3.42Å; T356-T360 PolarHBondContact O-N 2.83Å; T356-T360 PolarHBondContact O-OG1 3.06Å; I357-T360 WeakPolarHBondContact O-CB 3.39Å; I357-T360 PolarHBondContact O-N 3.42Å; I358-T360 VanDerWaalsContact C-N 3.31Å; I358-T360 PolarHBondContact O-N 3.44Å; T360-M363 PolarHBondContact O-N 2.66Å; T360-H364 PolarHBondContact O-CD2 3.41Å; T360-H364 PolarHBondContact O-N 3.03Å |
| 361 | L | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 174.3 | -72.8 | 172 | 0 | 0 | 0 | 112.4 | P302 V306 I357 I358 F359 H364 C365 F433 L434 | P302-L361 HydrophobicContact CB-CD1 4.49Å; P302-L361 HydrophobicContact CB-CD2 3.7Å; P302-L361 HydrophobicContact CB-CG 4.16Å; P302-L361 HydrophobicContact CG-CD2 3.61Å; V306-L361 HydrophobicContact CG2-CD1 4.32Å; I357-L361 HydrophobicContact CG2-CD1 4.44Å; I357-L361 WeakPolarHBondContact O-CG 3.38Å; I357-L361 PolarHBondContact O-N 3.27Å; I358-L361 HydrophobicContact CD1-CD1 4.28Å; I358-L361 WeakPolarHBondContact O-CB 3.46Å; I358-L361 PolarHBondContact O-N 3.06Å; I358-L361 VanDerWaalsContact O-N 3.15Å; F359-L361 VanDerWaalsContact C-N 3.34Å; F359-L361 PolarHBondContact O-N 3.04Å; L361-H364 PolarHBondContact O-N 2.78Å; L361-C365 VanDerWaalsContact O-CB 3.23Å; L361-C365 WeakPolarHBondContact O-CB 3.36Å; L361-C365 PolarHBondContact O-N 3.06Å; L361-F433 HydrophobicContact CB-CE2 4.43Å; L361-F433 HydrophobicContact CD2-CE2 4Å; L361-L434 HydrophobicContact CD2-CD2 3.46Å; L361-L434 VanDerWaalsContact CD2-CD2 3.46Å |
| 362 | M | 94.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.7 | -71 | 166.2 | 53 | 0 | 0 | 111.9 | L241 L245 I358 F359 T366 Y379 L382 | L241-M362 HydrophobicContact CD2-CG 4.07Å; L245-M362 HydrophobicContact CD1-CG 3.92Å; L245-M362 HydrophobicContact CD1-SD 3.96Å; L245-M362 HydrophobicContact CD2-CG 4.02Å; L245-M362 HydrophobicContact CD2-SD 3.57Å; L245-M362 VanDerWaalsContact CD2-SD 3.57Å; L245-M362 HydrophobicContact CG-SD 4.44Å; I358-M362 HydrophobicContact CG2-SD 4.06Å; I358-M362 WeakPolarHBondContact O-CG 3.45Å; I358-M362 PolarHBondContact O-N 3.22Å; F359-M362 HydrophobicContact CD1-CE 4.29Å; F359-M362 HydrophobicContact CD1-SD 3.61Å; F359-M362 HydrophobicContact CE1-CE 4.48Å; F359-M362 HydrophobicContact CE1-SD 4.07Å; F359-M362 WeakPolarHBondContact O-CB 3.27Å; F359-M362 PolarHBondContact O-N 3.38Å; M362-T366 WeakPolarHBondContact O-CB 3.33Å; M362-T366 PolarHBondContact O-N 2.59Å; M362-T366 PolarHBondContact O-OG1 3.36Å; M362-Y379 HydrophobicContact CB-CD2 4.35Å; M362-Y379 HydrophobicContact CB-CE2 3.84Å; M362-Y379 HydrophobicContact CE-CE2 4.17Å; M362-L382 HydrophobicContact CB-CD1 4.01Å; M362-L382 HydrophobicContact CE-CB 3.82Å; M362-L382 HydrophobicContact CG-CB 4.26Å; M362-L382 HydrophobicContact CG-CD1 4.19Å |
| 363 | M | 92.5 | Very high | 91.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.6 | -42.6 | 178.9 | -167.8 | 166.7 | -80.1 | 0 | 0 | 111.4 | T123 L124 L127 I132 F359 T360 T366 C367 Y379 | T123-M363 HydrophobicContact CG2-CE 3.65Å; L124-M363 HydrophobicContact CD2-CE 3.91Å; L124-M363 HydrophobicContact CD2-CG 3.9Å; L124-M363 HydrophobicContact CD2-SD 4.41Å; L124-M363 HydrophobicContact CG-CE 4.31Å; L127-M363 HydrophobicContact CD1-SD 4.13Å; I132-M363 HydrophobicContact CB-SD 4.22Å; I132-M363 HydrophobicContact CD1-CG 4.38Å; I132-M363 HydrophobicContact CG1-CG 4.32Å; I132-M363 HydrophobicContact CG1-SD 3.99Å; I132-M363 HydrophobicContact CG2-CB 3.88Å; I132-M363 HydrophobicContact CG2-CG 3.81Å; I132-M363 HydrophobicContact CG2-SD 3.72Å; F359-M363 PolarHBondContact O-N 3.5Å; T360-M363 PolarHBondContact O-N 2.66Å; M363-T366 PolarHBondContact O-N 3.28Å; M363-C367 PolarHBondContact O-N 2.93Å; M363-C367 PolarHBondContact O-SG 3.21Å; M363-Y379 HydrophobicContact CB-CE2 4.15Å; M363-Y379 HydrophobicContact CE-CE2 4.36Å |
| 364 | H | 91.1 | Very high | 90.6 | Very high | 60 Ų | 60 | 25.2 Ų | 25.2 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.7 | -49.2 | 174.1 | -82.2 | -65.5 | 0 | 0 | 0 | 112.6 | T360 L361 T366 C367 S368 | T360-H364 PolarHBondContact O-CD2 3.41Å; T360-H364 PolarHBondContact O-N 3.03Å; L361-H364 PolarHBondContact O-N 2.78Å; H364-T366 VanDerWaalsContact C-N 3.26Å; H364-T366 PolarHBondContact O-N 2.86Å; H364-C367 PolarHBondContact O-N 2.82Å; H364-C367 VanDerWaalsContact O-N 3.16Å; H364-S368 WeakPolarHBondContact O-CB 3.32Å; H364-S368 PolarHBondContact O-N 3.13Å; H364-S368 PolarHBondContact O-OG 2.96Å; H364-S368 VanDerWaalsContact O-OG 3.11Å |
| 365 | C | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -56.9 | -42.6 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 111.3 | S238 L241 L361 S368 E369 F433 | S238-C365 PolarHBondContact OG-SG 3.25Å; S238-C365 VanDerWaalsContact OG-SG 3.37Å; L241-C365 HydrophobicContact CD2-CB 3.76Å; L361-C365 VanDerWaalsContact O-CB 3.23Å; L361-C365 WeakPolarHBondContact O-CB 3.36Å; L361-C365 PolarHBondContact O-N 3.06Å; C365-S368 PolarHBondContact O-N 3.24Å; C365-S368 PolarHBondContact O-OG 2.89Å; C365-E369 VanDerWaalsContact O-CB 3.24Å; C365-E369 WeakPolarHBondContact O-CB 3.46Å; C365-E369 VanDerWaalsContact O-CG 3.25Å; C365-E369 WeakPolarHBondContact O-CG 3.1Å; C365-E369 PolarHBondContact O-N 3.35Å; C365-F433 HydrophobicContact CB-CD1 4.15Å; C365-F433 HydrophobicContact CB-CD2 3.76Å; C365-F433 HydrophobicContact CB-CE1 4.17Å; C365-F433 HydrophobicContact CB-CE2 3.79Å; C365-F433 HydrophobicContact CB-CG 3.94Å; C365-F433 HydrophobicContact CB-CZ 3.99Å |
| 366 | T | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -46.1 | 176.9 | -63.6 | 0 | 0 | 0 | 0 | 111.5 | L124 M362 M363 H364 S368 T370 Q375 H378 | L124-T366 HydrophobicContact CD2-CG2 4.35Å; M362-T366 WeakPolarHBondContact O-CB 3.33Å; M362-T366 PolarHBondContact O-N 2.59Å; M362-T366 PolarHBondContact O-OG1 3.36Å; M363-T366 PolarHBondContact O-N 3.28Å; H364-T366 VanDerWaalsContact C-N 3.26Å; H364-T366 PolarHBondContact O-N 2.86Å; T366-S368 PolarHBondContact O-N 3.44Å; T366-T370 PolarHBondContact O-N 3.22Å; T366-T370 PolarHBondContact O-OG1 3.22Å; T366-Q375 HydrophobicContact CG2-CB 3.72Å; T366-Q375 HydrophobicContact CG2-CG 3.85Å; T366-Q375 WeakPolarHBondContact CG2-O 3.44Å; T366-H378 HydrophobicContact CG2-CB 4.28Å; T366-H378 PolarHBondContact OG1-ND1 2.98Å |
| 367 | C | 89.9 | Confident | 89.4 | Confident | 52 Ų | 52 | 26.9 Ų | 26.9 | 35% | 0.351 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -69 | -31.8 | -179.1 | -68.1 | 0 | 0 | 0 | 0 | 113.6 | M363 H364 | M363-C367 PolarHBondContact O-N 2.93Å; M363-C367 PolarHBondContact O-SG 3.21Å; H364-C367 PolarHBondContact O-N 2.82Å; H364-C367 VanDerWaalsContact O-N 3.16Å |
| 368 | S | 88.2 | Confident | 89.1 | Confident | 66 Ų | 66 | 27 Ų | 27 | 46% | 0.462 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -84.1 | -39.9 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | H364 C365 T366 F433 | H364-S368 WeakPolarHBondContact O-CB 3.32Å; H364-S368 PolarHBondContact O-N 3.13Å; H364-S368 PolarHBondContact O-OG 2.96Å; H364-S368 VanDerWaalsContact O-OG 3.11Å; C365-S368 PolarHBondContact O-N 3.24Å; C365-S368 PolarHBondContact O-OG 2.89Å; T366-S368 PolarHBondContact O-N 3.44Å; S368-F433 WeakPolarHBondContact OG-CB 3.36Å |
| 369 | E | 87.6 | Confident | 89 | Confident | 65 Ų | 65 | 27.1 Ų | 27.1 | 30% | 0.304 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -92.7 | -13 | -170.6 | -58.3 | -66.8 | 142.9 | 0 | 0 | 113 | S235 C365 F433 | S235-E369 WeakPolarHBondContact CB-OE2 3.4Å; S235-E369 WeakPolarHBondContact OG-CG 3.21Å; S235-E369 PolarHBondContact OG-OE2 2.9Å; C365-E369 VanDerWaalsContact O-CB 3.24Å; C365-E369 WeakPolarHBondContact O-CB 3.46Å; C365-E369 VanDerWaalsContact O-CG 3.25Å; C365-E369 WeakPolarHBondContact O-CG 3.1Å; C365-E369 PolarHBondContact O-N 3.35Å; E369-F433 HydrophobicContact CG-CB 4.35Å; E369-F433 WeakPolarHBondContact OE1-CB 3.13Å |
| 370 | T | 86.2 | Confident | 88.9 | Confident | 11 Ų | 11 | 25.8 Ų | 25.8 | 7% | 0.067 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -131.7 | 145.6 | -174.3 | 74.9 | 0 | 0 | 0 | 0 | 113.4 | I230 T366 Q375 H378 | I230-T370 HydrophobicContact CG2-CG2 3.65Å; T366-T370 PolarHBondContact O-N 3.22Å; T366-T370 PolarHBondContact O-OG1 3.22Å; T370-Q375 PolarHBondContact O-NE2 3.22Å; T370-Q375 WeakPolarHBondContact OG1-CG 3.45Å; T370-H378 HydrophobicContact CG2-CB 3.8Å; T370-H378 WeakPolarHBondContact CG2-CD2 3.41Å; T370-H378 VanDerWaalsContact CG2-CG 3.47Å |
| 371 | S | 84.2 | Confident | 88.9 | Confident | 66 Ų | 66 | 26.4 Ų | 26.4 | 46% | 0.462 | 15% | 0.149 | S | C | . | . | trans | -71.1 | 154.2 | 171.5 | 74.9 | 0 | 0 | 0 | 0 | 110.6 | A373 Y374 Q375 | S371-A373 PolarHBondContact O-N 3.39Å; S371-Y374 PolarHBondContact O-N 2.73Å; S371-Y374 WeakPolarHBondContact OG-CD2 3.27Å; S371-Q375 PolarHBondContact O-N 3.1Å | ||
| 372 | K | 81.7 | Confident | 89 | Confident | 139 Ų | 139 | 26.4 Ų | 26.4 | 60% | 0.604 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -30.1 | -176.3 | -69.3 | -169.8 | 176.5 | -174.4 | 0 | 114.6 | F195 Y374 | F195-K372 HydrophobicContact CE2-CD 4.25Å; F195-K372 HydrophobicContact CZ-CD 4.08Å; K372-Y374 VanDerWaalsContact C-N 3.28Å; K372-Y374 PolarHBondContact O-N 3.04Å |
| 373 | A | 79.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 26.8 Ų | 26.8 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S371 | S371-A373 PolarHBondContact O-N 3.39Š|
| 374 | Y | 84.8 | Confident | 89.2 | Confident | 5 Ų | 5 | 27.2 Ų | 27.2 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | -5.3 | -175.7 | -64.5 | -84.9 | 0 | 0 | 0 | 113.6 | E197 Y222 A227 I230 S371 K372 A376 T377 H378 | E197-Y374 PolarHBondContact OE2-OH 3.06Å; Y222-Y374 HydrophobicContact CD2-CD1 4.14Å; Y222-Y374 AromaticContact CD2-CE1 3.57Å; Y222-Y374 HydrophobicContact CD2-CE1 3.57Å; Y222-Y374 AromaticContact CD2-CZ 3.86Å; Y222-Y374 AromaticContact CE2-CD1 3.33Å; Y222-Y374 HydrophobicContact CE2-CD1 3.33Å; Y222-Y374 AromaticContact CE2-CE1 3.21Å; Y222-Y374 HydrophobicContact CE2-CE1 3.21Å; Y222-Y374 HydrophobicContact CE2-CG 4.16Å; Y222-Y374 AromaticContact CE2-CZ 3.92Å; Y222-Y374 HydrophobicContact CG-CE1 4.47Å; Y222-Y374 AromaticContact CZ-CD1 3.86Å; Y222-Y374 AromaticContact CZ-CE1 3.85Å; A227-Y374 HydrophobicContact CB-CD1 3.58Å; A227-Y374 HydrophobicContact CB-CE1 4.07Å; I230-Y374 HydrophobicContact CD1-CD1 4.46Å; I230-Y374 HydrophobicContact CD1-CD2 4.33Å; I230-Y374 HydrophobicContact CD1-CG 4.24Å; S371-Y374 PolarHBondContact O-N 2.73Å; S371-Y374 WeakPolarHBondContact OG-CD2 3.27Å; K372-Y374 VanDerWaalsContact C-N 3.28Å; K372-Y374 PolarHBondContact O-N 3.04Å; Y374-A376 PolarHBondContact O-N 2.96Å; Y374-T377 PolarHBondContact O-N 2.86Å; Y374-H378 WeakPolarHBondContact O-CB 3.39Å; Y374-H378 PolarHBondContact O-N 2.88Å |
| 375 | Q | 88.7 | Confident | 89.4 | Confident | 24 Ų | 24 | 24.9 Ų | 24.9 | 11% | 0.112 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | -173.4 | -77.7 | 178.6 | -6.8 | 0 | 0 | 113.4 | T366 T370 S371 T377 H378 Y379 | T366-Q375 HydrophobicContact CG2-CB 3.72Å; T366-Q375 HydrophobicContact CG2-CG 3.85Å; T366-Q375 WeakPolarHBondContact CG2-O 3.44Å; T370-Q375 PolarHBondContact O-NE2 3.22Å; T370-Q375 WeakPolarHBondContact OG1-CG 3.45Å; S371-Q375 PolarHBondContact O-N 3.1Å; Q375-T377 PolarHBondContact O-N 2.87Å; Q375-H378 PolarHBondContact O-N 3.35Å; Q375-Y379 WeakPolarHBondContact O-CB 3.22Å; Q375-Y379 PolarHBondContact O-N 2.86Å |
| 376 | A | 87.2 | Confident | 89.5 | Confident | 16 Ų | 16 | 25.3 Ų | 25.3 | 13% | 0.132 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.4 | -42.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D60 L124 Y374 S380 | D60-A376 WeakPolarHBondContact OD2-CB 3.4Å; L124-A376 HydrophobicContact CD1-CB 4.37Å; Y374-A376 PolarHBondContact O-N 2.96Å; A376-S380 WeakPolarHBondContact O-CB 3.24Å; A376-S380 PolarHBondContact O-N 3.25Å; A376-S380 PolarHBondContact O-OG 2.85Å |
| 377 | T | 87.2 | Confident | 89.6 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.6 | -43 | 175.6 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | P57 Y222 A227 Y374 Q375 Y379 S380 I381 | P57-T377 HydrophobicContact CG-CG2 3.78Å; P57-T377 WeakPolarHBondContact CG-OG1 3.36Å; Y222-T377 PolarHBondContact OH-OG1 3.49Å; A227-T377 HydrophobicContact CB-CG2 3.77Å; Y374-T377 PolarHBondContact O-N 2.86Å; Q375-T377 PolarHBondContact O-N 2.87Å; T377-Y379 PolarHBondContact O-N 2.69Å; T377-S380 WeakPolarHBondContact O-CB 3.44Å; T377-S380 PolarHBondContact O-N 3.05Å; T377-I381 HydrophobicContact CG2-CD1 4.3Å; T377-I381 WeakPolarHBondContact O-CG1 3.38Å; T377-I381 PolarHBondContact O-N 3.45Å |
| 378 | H | 89.4 | Confident | 89.8 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 176.6 | -179 | -87.1 | 0 | 0 | 0 | 111.8 | S238 T366 T370 Y374 Q375 S380 I381 L382 | S238-H378 PolarHBondContact OG-CE1 3.12Å; S238-H378 PolarHBondContact OG-NE2 3.38Å; T366-H378 HydrophobicContact CG2-CB 4.28Å; T366-H378 PolarHBondContact OG1-ND1 2.98Å; T370-H378 HydrophobicContact CG2-CB 3.8Å; T370-H378 WeakPolarHBondContact CG2-CD2 3.41Å; T370-H378 VanDerWaalsContact CG2-CG 3.47Å; Y374-H378 WeakPolarHBondContact O-CB 3.39Å; Y374-H378 PolarHBondContact O-N 2.88Å; Q375-H378 PolarHBondContact O-N 3.35Å; H378-S380 VanDerWaalsContact C-N 3.33Å; H378-S380 PolarHBondContact O-N 2.97Å; H378-I381 WeakPolarHBondContact O-CB 3.16Å; H378-I381 PolarHBondContact O-N 3.48Å; H378-L382 PolarHBondContact O-N 3.3Å; H378-L382 VanDerWaalsContact O-N 3.08Å |
| 379 | Y | 93.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.008 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 175.9 | -168.9 | -95 | 0 | 0 | 0 | 112 | D120 L124 M362 M363 Q375 T377 I381 L382 S383 | D120-Y379 HydrophobicContact CB-CD1 4Å; D120-Y379 HydrophobicContact CB-CE1 4.01Å; D120-Y379 VanDerWaalsContact OD2-CE1 3.27Å; D120-Y379 WeakPolarHBondContact OD2-CE1 3.16Å; L124-Y379 HydrophobicContact CD1-CG 4.08Å; M362-Y379 HydrophobicContact CB-CD2 4.35Å; M362-Y379 HydrophobicContact CB-CE2 3.84Å; M362-Y379 HydrophobicContact CE-CE2 4.17Å; M363-Y379 HydrophobicContact CB-CE2 4.15Å; M363-Y379 HydrophobicContact CE-CE2 4.36Å; Q375-Y379 WeakPolarHBondContact O-CB 3.22Å; Q375-Y379 PolarHBondContact O-N 2.86Å; T377-Y379 PolarHBondContact O-N 2.69Å; Y379-I381 VanDerWaalsContact C-N 3.3Å; Y379-I381 PolarHBondContact O-N 3.07Å; Y379-L382 PolarHBondContact O-N 2.78Å; Y379-L382 VanDerWaalsContact O-N 3.17Å; Y379-S383 PolarHBondContact O-N 2.85Å; Y379-S383 PolarHBondContact O-OG 3.39Å |
| 380 | S | 92.9 | Very high | 90 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.3 | -38.1 | 174.7 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | A376 T377 H378 S383 T384 | A376-S380 WeakPolarHBondContact O-CB 3.24Å; A376-S380 PolarHBondContact O-N 3.25Å; A376-S380 PolarHBondContact O-OG 2.85Å; T377-S380 WeakPolarHBondContact O-CB 3.44Å; T377-S380 PolarHBondContact O-N 3.05Å; H378-S380 VanDerWaalsContact C-N 3.33Å; H378-S380 PolarHBondContact O-N 2.97Å; S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.48Å; S380-T384 VanDerWaalsContact O-CB 3.28Å; S380-T384 WeakPolarHBondContact O-CB 3.33Å; S380-T384 PolarHBondContact O-N 3.32Å; S380-T384 PolarHBondContact O-OG1 3.19Å |
| 381 | I | 92.7 | Very high | 90.1 | Very high | 12 Ų | 12 | 22.7 Ų | 22.7 | 6% | 0.062 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 174.3 | -68.7 | 165.2 | 0 | 0 | 0 | 110.7 | F228 A231 T377 H378 Y379 T384 A385 | F228-I381 HydrophobicContact CD1-CD1 3.98Å; F228-I381 HydrophobicContact CD2-CD1 4.34Å; F228-I381 HydrophobicContact CE1-CD1 4.12Å; F228-I381 HydrophobicContact CE1-CG1 4.19Å; F228-I381 HydrophobicContact CE2-CD1 4.47Å; F228-I381 HydrophobicContact CG-CD1 4.1Å; F228-I381 HydrophobicContact CZ-CD1 4.37Å; F228-I381 HydrophobicContact CZ-CG1 4.34Å; A231-I381 HydrophobicContact CB-CB 4.4Å; A231-I381 HydrophobicContact CB-CD1 3.58Å; A231-I381 HydrophobicContact CB-CG2 4.08Å; T377-I381 HydrophobicContact CG2-CD1 4.3Å; T377-I381 WeakPolarHBondContact O-CG1 3.38Å; T377-I381 PolarHBondContact O-N 3.45Å; H378-I381 WeakPolarHBondContact O-CB 3.16Å; H378-I381 PolarHBondContact O-N 3.48Å; Y379-I381 VanDerWaalsContact C-N 3.3Å; Y379-I381 PolarHBondContact O-N 3.07Å; I381-T384 PolarHBondContact O-N 2.7Å; I381-A385 WeakPolarHBondContact O-CB 3.07Å; I381-A385 PolarHBondContact O-N 3.08Å |
| 382 | L | 94.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 177.1 | -63.8 | -176.5 | 0 | 0 | 0 | 111.5 | L241 I242 L245 M362 H378 Y379 T384 A385 E386 | L241-L382 HydrophobicContact CD2-CD1 4Å; I242-L382 HydrophobicContact CD1-CD2 4.14Å; I242-L382 HydrophobicContact CG1-CD2 3.53Å; L245-L382 HydrophobicContact CD1-CB 3.87Å; L245-L382 HydrophobicContact CD1-CD2 4.12Å; L245-L382 WeakPolarHBondContact CD1-O 3.47Å; M362-L382 HydrophobicContact CB-CD1 4.01Å; M362-L382 HydrophobicContact CE-CB 3.82Å; M362-L382 HydrophobicContact CG-CB 4.26Å; M362-L382 HydrophobicContact CG-CD1 4.19Å; H378-L382 PolarHBondContact O-N 3.3Å; H378-L382 VanDerWaalsContact O-N 3.08Å; Y379-L382 PolarHBondContact O-N 2.78Å; Y379-L382 VanDerWaalsContact O-N 3.17Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.46Å; L382-A385 PolarHBondContact O-N 3.48Å; L382-E386 WeakPolarHBondContact O-CB 3.39Å; L382-E386 PolarHBondContact O-N 3.37Å |
| 383 | S | 95 | Very high | 90.3 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 6% | 0.056 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69.5 | -32.1 | -179.7 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | K52 Y379 S380 E386 L387 | K52-S383 WeakPolarHBondContact CE-OG 3.23Å; K52-S383 PolarHBondContact NZ-OG 3.26Å; Y379-S383 PolarHBondContact O-N 2.85Å; Y379-S383 PolarHBondContact O-OG 3.39Å; S380-S383 PolarHBondContact O-N 2.84Å; S380-S383 PolarHBondContact O-OG 3.48Å; S383-E386 WeakPolarHBondContact O-CB 3.37Å; S383-E386 PolarHBondContact O-N 2.71Å; S383-L387 PolarHBondContact O-N 2.84Å |
| 384 | T | 94.9 | Very high | 90.6 | Very high | 12 Ų | 12 | 17.5 Ų | 17.5 | 7% | 0.074 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.7 | -44.2 | 168.7 | -68 | 0 | 0 | 0 | 0 | 111.9 | L50 K52 S53 S380 I381 L382 E386 L387 L388 | L50-T384 WeakPolarHBondContact O-CG2 3.4Å; K52-T384 WeakPolarHBondContact CG-OG1 3.31Å; S53-T384 PolarHBondContact N-OG1 3.44Å; S380-T384 VanDerWaalsContact O-CB 3.28Å; S380-T384 WeakPolarHBondContact O-CB 3.33Å; S380-T384 PolarHBondContact O-N 3.32Å; S380-T384 PolarHBondContact O-OG1 3.19Å; I381-T384 PolarHBondContact O-N 2.7Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.46Å; T384-E386 VanDerWaalsContact C-N 3.29Å; T384-E386 PolarHBondContact O-N 3.16Å; T384-L387 PolarHBondContact O-N 3.25Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 2.88Å |
| 385 | A | 94.9 | Very high | 90.7 | Very high | 10 Ų | 10 | 18.8 Ų | 18.8 | 8% | 0.083 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I242 L246 I381 L382 L387 L388 G389 | I242-A385 HydrophobicContact CG2-CB 4.08Å; L246-A385 HydrophobicContact CD2-CB 4.47Å; L246-A385 VanDerWaalsContact CD2-O 3.29Å; L246-A385 WeakPolarHBondContact CD2-O 3.43Å; I381-A385 WeakPolarHBondContact O-CB 3.07Å; I381-A385 PolarHBondContact O-N 3.08Å; L382-A385 PolarHBondContact O-N 3.48Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.97Å; A385-L388 PolarHBondContact O-N 2.87Å; A385-G389 PolarHBondContact O-N 3.01Å |
| 386 | E | 95.3 | Very high | 90.9 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 175.5 | -167.5 | -96.7 | 179.3 | 0 | 0 | 112.7 | L245 Y248 F359 L382 S383 T384 K390 | L245-E386 HydrophobicContact CB-CB 4.14Å; L245-E386 HydrophobicContact CD2-CB 4.09Å; L245-E386 HydrophobicContact CD2-CG 3.96Å; L245-E386 HydrophobicContact CG-CB 4.47Å; Y248-E386 HydrophobicContact CE1-CG 3.76Å; Y248-E386 PolarHBondContact OH-OE1 2.66Å; F359-E386 HydrophobicContact CE1-CG 4.35Å; L382-E386 WeakPolarHBondContact O-CB 3.39Å; L382-E386 PolarHBondContact O-N 3.37Å; S383-E386 WeakPolarHBondContact O-CB 3.37Å; S383-E386 PolarHBondContact O-N 2.71Å; T384-E386 VanDerWaalsContact C-N 3.29Å; T384-E386 PolarHBondContact O-N 3.16Å; E386-K390 WeakPolarHBondContact OE1-CE 3.47Å; E386-K390 IonicContact OE1-NZ 3.54Å; E386-K390 PolarHBondContact OE1-NZ 3.09Å; E386-K390 WeakPolarHBondContact OE2-CE 3.28Å; E386-K390 IonicContact OE2-NZ 2.67Å; E386-K390 PolarHBondContact OE2-NZ 3.02Å |
| 387 | L | 92.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 22 Ų | 22 | 13% | 0.126 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -74.8 | -36.4 | 178 | -173.7 | 68.4 | 0 | 0 | 0 | 112.8 | W49 S383 T384 A385 G389 K390 L391 | W49-L387 HydrophobicContact CB-CD2 3.12Å; W49-L387 HydrophobicContact CD2-CD2 4.2Å; W49-L387 HydrophobicContact CE3-CD2 4.18Å; W49-L387 HydrophobicContact CG-CD2 3.83Å; S383-L387 PolarHBondContact O-N 2.84Å; T384-L387 PolarHBondContact O-N 3.25Å; A385-L387 VanDerWaalsContact C-N 3.33Å; A385-L387 PolarHBondContact O-N 2.97Å; L387-G389 VanDerWaalsContact C-N 3.25Å; L387-G389 PolarHBondContact O-N 3.49Å; L387-K390 WeakPolarHBondContact O-CB 3.25Å; L387-K390 PolarHBondContact O-N 2.92Å; L387-L391 HydrophobicContact CD1-CD1 4Å; L387-L391 HydrophobicContact CD1-CG 3.9Å; L387-L391 HydrophobicContact CD2-CD1 3.72Å; L387-L391 HydrophobicContact CD2-CG 4.5Å; L387-L391 HydrophobicContact CG-CD1 3.58Å; L387-L391 HydrophobicContact CG-CG 3.87Å; L387-L391 PolarHBondContact O-N 3.03Å |
| 388 | L | 93.4 | Very high | 91.5 | Very high | 58 Ų | 58 | 21.9 Ų | 21.9 | 30% | 0.304 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -56.2 | -43.3 | 177.6 | -175.5 | 66.8 | 0 | 0 | 0 | 110.9 | L50 L246 T384 A385 K390 L392 | L50-L388 HydrophobicContact CD1-CD1 4.19Å; L50-L388 HydrophobicContact CD2-CB 4.09Å; L50-L388 HydrophobicContact CD2-CD1 3.7Å; L50-L388 HydrophobicContact CG-CD1 4.47Å; L246-L388 HydrophobicContact CD2-CB 4.03Å; L246-L388 HydrophobicContact CD2-CD2 3.87Å; L246-L388 HydrophobicContact CD2-CG 4.12Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 2.88Å; A385-L388 PolarHBondContact O-N 2.87Å; L388-K390 VanDerWaalsContact C-N 3.35Å; L388-K390 PolarHBondContact O-N 2.96Å; L388-L392 HydrophobicContact CD1-CD1 3.53Å; L388-L392 HydrophobicContact CD1-CG 3.82Å; L388-L392 HydrophobicContact CG-CD1 3.83Å; L388-L392 HydrophobicContact CG-CG 4.42Å; L388-L392 WeakPolarHBondContact O-CB 3.47Å; L388-L392 PolarHBondContact O-N 3Å |
| 389 | G | 89.9 | Confident | 91.8 | Very high | 7 Ų | 7 | 28.2 Ų | 28.2 | 7% | 0.072 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L246 L250 A385 L387 F393 | L246-G389 VanDerWaalsContact O-CA 3.23Å; L246-G389 WeakPolarHBondContact O-CA 3.43Å; L250-G389 WeakPolarHBondContact CD2-O 3.43Å; A385-G389 PolarHBondContact O-N 3.01Å; L387-G389 VanDerWaalsContact C-N 3.25Å; L387-G389 PolarHBondContact O-N 3.49Å; G389-F393 WeakPolarHBondContact O-CB 3.43Å |
| 390 | K | 90.7 | Very high | 91.9 | Very high | 31 Ų | 31 | 30.9 Ų | 30.9 | 14% | 0.135 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.7 | -46.3 | 179.8 | -65.9 | -179.7 | -140.6 | 168.9 | 0 | 113.5 | K249 Q253 E386 L387 L388 G394 | K249-K390 HydrophobicContact CB-CG 3.91Å; K249-K390 HydrophobicContact CD-CD 3.97Å; K249-K390 HydrophobicContact CD-CG 4.17Å; K249-K390 HydrophobicContact CG-CG 4.38Å; Q253-K390 HydrophobicContact CG-CB 4.01Å; Q253-K390 HydrophobicContact CG-CG 4.21Å; E386-K390 WeakPolarHBondContact OE1-CE 3.47Å; E386-K390 IonicContact OE1-NZ 3.54Å; E386-K390 PolarHBondContact OE1-NZ 3.09Å; E386-K390 WeakPolarHBondContact OE2-CE 3.28Å; E386-K390 IonicContact OE2-NZ 2.67Å; E386-K390 PolarHBondContact OE2-NZ 3.02Å; L387-K390 WeakPolarHBondContact O-CB 3.25Å; L387-K390 PolarHBondContact O-N 2.92Å; L388-K390 VanDerWaalsContact C-N 3.35Å; L388-K390 PolarHBondContact O-N 2.96Å; K390-G394 WeakPolarHBondContact O-CA 3.42Å; K390-G394 PolarHBondContact O-N 3.29Å |
| 391 | L | 88.1 | Confident | 92.1 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 11% | 0.105 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -74.7 | -50.6 | -169.1 | -75.5 | 179.9 | 0 | 0 | 0 | 112 | H46 L50 L387 F393 G394 T395 | H46-L391 HydrophobicContact CB-CD1 3.56Å; H46-L391 HydrophobicContact CB-CD2 3.9Å; H46-L391 HydrophobicContact CB-CG 4.42Å; L50-L391 HydrophobicContact CD1-CD1 4.46Å; L50-L391 HydrophobicContact CD2-CB 4.32Å; L50-L391 HydrophobicContact CD2-CD1 3.69Å; L50-L391 HydrophobicContact CG-CD1 3.92Å; L387-L391 HydrophobicContact CD1-CD1 4Å; L387-L391 HydrophobicContact CD1-CG 3.9Å; L387-L391 HydrophobicContact CD2-CD1 3.72Å; L387-L391 HydrophobicContact CD2-CG 4.5Å; L387-L391 HydrophobicContact CG-CD1 3.58Å; L387-L391 HydrophobicContact CG-CG 3.87Å; L387-L391 PolarHBondContact O-N 3.03Å; L391-F393 VanDerWaalsContact C-N 3.3Å; L391-F393 PolarHBondContact O-N 3.13Å; L391-G394 PolarHBondContact O-N 3.16Å; L391-G394 VanDerWaalsContact O-N 3.13Å; L391-T395 PolarHBondContact O-N 3.47Å; L391-T395 PolarHBondContact O-OG1 3.03Å |
| 392 | L | 84.1 | Confident | 92.2 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 50% | 0.497 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57 | -48.2 | 179.1 | -75.9 | 177.2 | 0 | 0 | 0 | 110.8 | L388 T395 I396 | L388-L392 HydrophobicContact CD1-CD1 3.53Å; L388-L392 HydrophobicContact CD1-CG 3.82Å; L388-L392 HydrophobicContact CG-CD1 3.83Å; L388-L392 HydrophobicContact CG-CG 4.42Å; L388-L392 WeakPolarHBondContact O-CB 3.47Å; L388-L392 PolarHBondContact O-N 3Å; L392-T395 PolarHBondContact O-N 3.26Å; L392-I396 WeakPolarHBondContact O-CG1 3.24Å; L392-I396 PolarHBondContact O-N 3.43Å |
| 393 | F | 87.4 | Confident | 92.3 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 11% | 0.114 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -39.9 | 178.1 | -173.3 | -106.6 | 0 | 0 | 0 | 112.3 | L250 G389 L391 T395 I396 A397 F413 L416 | L250-F393 HydrophobicContact CB-CD1 4.36Å; L250-F393 HydrophobicContact CB-CG 4.38Å; L250-F393 HydrophobicContact CD2-CB 3.39Å; L250-F393 HydrophobicContact CD2-CD1 4.36Å; L250-F393 HydrophobicContact CD2-CD2 4.19Å; L250-F393 HydrophobicContact CD2-CG 3.71Å; L250-F393 WeakPolarHBondContact O-CD1 3.33Å; L250-F393 WeakPolarHBondContact O-CE1 3.03Å; G389-F393 WeakPolarHBondContact O-CB 3.43Å; L391-F393 VanDerWaalsContact C-N 3.3Å; L391-F393 PolarHBondContact O-N 3.13Å; F393-T395 VanDerWaalsContact C-N 3.26Å; F393-T395 PolarHBondContact O-N 3.1Å; F393-I396 PolarHBondContact O-N 2.97Å; F393-A397 HydrophobicContact CD1-CB 4.35Å; F393-A397 HydrophobicContact CE1-CB 3.98Å; F393-A397 HydrophobicContact CZ-CB 4.11Å; F393-A397 WeakPolarHBondContact O-CB 3.27Å; F393-A397 PolarHBondContact O-N 3.34Å; F393-F413 AromaticContact CE1-CD1 3.7Å; F393-F413 HydrophobicContact CE1-CD1 3.7Å; F393-F413 AromaticContact CE1-CE1 3.72Å; F393-F413 HydrophobicContact CE1-CE1 3.72Å; F393-F413 AromaticContact CZ-CD1 3.52Å; F393-F413 HydrophobicContact CZ-CD1 3.52Å; F393-F413 AromaticContact CZ-CE1 3.54Å; F393-F413 HydrophobicContact CZ-CE1 3.54Å; F393-L416 HydrophobicContact CD2-CD1 4.01Å; F393-L416 HydrophobicContact CE1-CD1 4.04Å; F393-L416 HydrophobicContact CE2-CD1 3.13Å; F393-L416 HydrophobicContact CZ-CD1 3.15Å |
| 394 | G | 84.7 | Confident | 92.4 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.2 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | K43 K390 L391 | K43-G394 VanDerWaalsContact NZ-C 3.33Å; K43-G394 PolarHBondContact NZ-O 3.29Å; K390-G394 WeakPolarHBondContact O-CA 3.42Å; K390-G394 PolarHBondContact O-N 3.29Å; L391-G394 PolarHBondContact O-N 3.16Å; L391-G394 VanDerWaalsContact O-N 3.13Å |
| 395 | T | 87.5 | Confident | 92.4 | Very high | 31 Ų | 31 | 43.4 Ų | 43.4 | 19% | 0.19 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.2 | -49.4 | 175 | -59.9 | 0 | 0 | 0 | 0 | 111 | G40 L391 L392 F393 A397 A398 Y399 | G40-T395 WeakPolarHBondContact O-CG2 3.32Å; G40-T395 PolarHBondContact O-OG1 3.18Å; L391-T395 PolarHBondContact O-N 3.47Å; L391-T395 PolarHBondContact O-OG1 3.03Å; L392-T395 PolarHBondContact O-N 3.26Å; F393-T395 VanDerWaalsContact C-N 3.26Å; F393-T395 PolarHBondContact O-N 3.1Å; T395-A397 PolarHBondContact O-N 2.88Å; T395-A398 PolarHBondContact O-N 3.4Å; T395-Y399 PolarHBondContact O-N 2.69Å |
| 396 | I | 92.1 | Very high | 92.5 | Very high | 104 Ų | 104 | 44.2 Ų | 44.2 | 53% | 0.533 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.8 | -41.9 | -179.8 | -64.2 | 167.4 | 0 | 0 | 0 | 110.9 | L392 F393 A398 Y399 F400 | L392-I396 WeakPolarHBondContact O-CG1 3.24Å; L392-I396 PolarHBondContact O-N 3.43Å; F393-I396 PolarHBondContact O-N 2.97Å; I396-A398 VanDerWaalsContact C-N 3.29Å; I396-A398 PolarHBondContact O-N 3.36Å; I396-Y399 PolarHBondContact O-N 2.78Å; I396-F400 VanDerWaalsContact O-CB 3.28Å; I396-F400 WeakPolarHBondContact O-CB 3.44Å; I396-F400 PolarHBondContact O-N 3.4Å |
| 397 | A | 94.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -37.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F393 T395 T401 F413 | F393-A397 HydrophobicContact CD1-CB 4.35Å; F393-A397 HydrophobicContact CE1-CB 3.98Å; F393-A397 HydrophobicContact CZ-CB 4.11Å; F393-A397 WeakPolarHBondContact O-CB 3.27Å; F393-A397 PolarHBondContact O-N 3.34Å; T395-A397 PolarHBondContact O-N 2.88Å; A397-T401 VanDerWaalsContact O-CB 3.31Å; A397-T401 WeakPolarHBondContact O-CB 3.32Å; A397-T401 PolarHBondContact O-N 2.91Å; A397-T401 PolarHBondContact O-OG1 3.22Å; A397-F413 HydrophobicContact CB-CE1 3.65Å; A397-F413 HydrophobicContact CB-CZ 3.8Å |
| 398 | A | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.3 | -46.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 M258 T395 I396 T401 D402 | L36-A398 WeakPolarHBondContact CB-O 3.28Å; L36-A398 VanDerWaalsContact O-CB 3.31Å; L36-A398 WeakPolarHBondContact O-CB 3.48Å; M258-A398 HydrophobicContact CE-CB 3.99Å; M258-A398 HydrophobicContact SD-CB 4.47Å; T395-A398 PolarHBondContact O-N 3.4Å; I396-A398 VanDerWaalsContact C-N 3.29Å; I396-A398 PolarHBondContact O-N 3.36Å; A398-T401 PolarHBondContact O-N 3.26Å; A398-D402 PolarHBondContact O-N 3.07Å |
| 399 | Y | 94.8 | Very high | 93 | Very high | 137 Ų | 137 | 45 Ų | 45 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.3 | 171.4 | -103 | 0 | 0 | 0 | 111.9 | T37 T395 I396 T401 D402 V403 | T37-Y399 HydrophobicContact CG2-CD2 3.77Å; T37-Y399 WeakPolarHBondContact OG1-CD2 3.21Å; T395-Y399 PolarHBondContact O-N 2.69Å; I396-Y399 PolarHBondContact O-N 2.78Å; Y399-T401 VanDerWaalsContact C-N 3.28Å; Y399-T401 PolarHBondContact O-N 3.06Å; Y399-D402 WeakPolarHBondContact O-CB 3.45Å; Y399-D402 PolarHBondContact O-N 3.39Å; Y399-D402 VanDerWaalsContact O-N 3.13Å; Y399-V403 HydrophobicContact CD2-CG2 4.41Å; Y399-V403 HydrophobicContact CE1-CG2 4.26Å; Y399-V403 HydrophobicContact CE2-CG2 3.95Å; Y399-V403 PolarHBondContact O-N 2.78Å; Y399-V403 VanDerWaalsContact O-N 3.13Å |
| 400 | F | 96.3 | Very high | 93.3 | Very high | 57 Ų | 57 | 44.6 Ų | 44.6 | 25% | 0.25 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -40.8 | 177.8 | -174.5 | -86.4 | 0 | 0 | 0 | 112 | I396 D402 V403 F404 M408 A409 C412 | I396-F400 VanDerWaalsContact O-CB 3.28Å; I396-F400 WeakPolarHBondContact O-CB 3.44Å; I396-F400 PolarHBondContact O-N 3.4Å; F400-D402 VanDerWaalsContact C-N 3.34Å; F400-V403 PolarHBondContact O-N 3.18Å; F400-F404 HydrophobicContact CD1-CB 4.44Å; F400-F404 HydrophobicContact CD1-CD2 4.08Å; F400-F404 AromaticContact CD2-CD2 3.46Å; F400-F404 HydrophobicContact CD2-CD2 3.46Å; F400-F404 VanDerWaalsContact CD2-CD2 3.46Å; F400-F404 AromaticContact CD2-CE2 3.65Å; F400-F404 HydrophobicContact CD2-CE2 3.65Å; F400-F404 HydrophobicContact CE1-CB 4.04Å; F400-F404 AromaticContact CE1-CD2 3.97Å; F400-F404 HydrophobicContact CE1-CD2 3.97Å; F400-F404 HydrophobicContact CE1-CG 4.27Å; F400-F404 AromaticContact CE2-CD2 3.33Å; F400-F404 HydrophobicContact CE2-CD2 3.33Å; F400-F404 AromaticContact CE2-CE2 3.5Å; F400-F404 HydrophobicContact CE2-CE2 3.5Å; F400-F404 VanDerWaalsContact CE2-CE2 3.5Å; F400-F404 HydrophobicContact CE2-CG 4.16Å; F400-F404 HydrophobicContact CE2-CZ 4.42Å; F400-F404 AromaticContact CG-CD2 3.84Å; F400-F404 HydrophobicContact CG-CD2 3.84Å; F400-F404 HydrophobicContact CG-CE2 4.43Å; F400-F404 HydrophobicContact CZ-CB 4.23Å; F400-F404 AromaticContact CZ-CD2 3.61Å; F400-F404 HydrophobicContact CZ-CD2 3.61Å; F400-F404 HydrophobicContact CZ-CE2 4.17Å; F400-F404 HydrophobicContact CZ-CG 4Å; F400-F404 WeakPolarHBondContact O-CB 3.48Å; F400-F404 WeakPolarHBondContact O-CD2 3.41Å; F400-F404 PolarHBondContact O-N 3.26Å; F400-M408 HydrophobicContact CE1-CB 4.45Å; F400-A409 HydrophobicContact CD1-CB 4.03Å; F400-A409 HydrophobicContact CE1-CB 4.34Å; F400-C412 HydrophobicContact CE1-CB 4.38Å |
| 401 | T | 97.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 112 | L36 M258 A397 A398 Y399 G405 Y406 A409 | L36-T401 HydrophobicContact CD1-CG2 3.72Å; M258-T401 HydrophobicContact SD-CG2 4.18Å; A397-T401 VanDerWaalsContact O-CB 3.31Å; A397-T401 WeakPolarHBondContact O-CB 3.32Å; A397-T401 PolarHBondContact O-N 2.91Å; A397-T401 PolarHBondContact O-OG1 3.22Å; A398-T401 PolarHBondContact O-N 3.26Å; Y399-T401 VanDerWaalsContact C-N 3.28Å; Y399-T401 PolarHBondContact O-N 3.06Å; T401-G405 CarbonylContact O-C 3.59Å; T401-G405 WeakPolarHBondContact O-CA 3.48Å; T401-G405 PolarHBondContact O-N 3.21Å; T401-Y406 HydrophobicContact CG2-CD1 3.35Å; T401-Y406 HydrophobicContact CG2-CE1 3.44Å; T401-Y406 VanDerWaalsContact CG2-CE1 3.44Å; T401-Y406 HydrophobicContact CG2-CG 3.95Å; T401-A409 HydrophobicContact CG2-CB 4.09Å; T401-A409 WeakPolarHBondContact OG1-CB 3.27Å |
| 402 | D | 94.6 | Very high | 94 | Very high | 65 Ų | 65 | 47.3 Ų | 47.3 | 35% | 0.348 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.6 | -134 | 13.5 | 0 | 0 | 0 | 111 | L36 T37 A398 Y399 F400 | L36-D402 HydrophobicContact CB-CB 4.04Å; T37-D402 WeakPolarHBondContact CB-OD2 3.41Å; T37-D402 PolarHBondContact N-OD2 3.24Å; T37-D402 PolarHBondContact OG1-OD2 3.15Å; A398-D402 PolarHBondContact O-N 3.07Å; Y399-D402 WeakPolarHBondContact O-CB 3.45Å; Y399-D402 PolarHBondContact O-N 3.39Å; Y399-D402 VanDerWaalsContact O-N 3.13Å; F400-D402 VanDerWaalsContact C-N 3.34Å |
| 403 | V | 96.4 | Very high | 94.6 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -79 | -47.5 | -176.6 | 176.6 | 0 | 0 | 0 | 0 | 112.7 | Y399 F400 | Y399-V403 HydrophobicContact CD2-CG2 4.41Å; Y399-V403 HydrophobicContact CE1-CG2 4.26Å; Y399-V403 HydrophobicContact CE2-CG2 3.95Å; Y399-V403 PolarHBondContact O-N 2.78Å; Y399-V403 VanDerWaalsContact O-N 3.13Å; F400-V403 PolarHBondContact O-N 3.18Å |
| 404 | F | 96.4 | Very high | 95 | Very high | 119 Ų | 119 | 42.8 Ų | 42.8 | 52% | 0.522 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -102.5 | -7 | -171.1 | -62.6 | -76.4 | 0 | 0 | 0 | 113.9 | F400 M408 | F400-F404 HydrophobicContact CD1-CB 4.44Å; F400-F404 HydrophobicContact CD1-CD2 4.08Å; F400-F404 AromaticContact CD2-CD2 3.46Å; F400-F404 HydrophobicContact CD2-CD2 3.46Å; F400-F404 VanDerWaalsContact CD2-CD2 3.46Å; F400-F404 AromaticContact CD2-CE2 3.65Å; F400-F404 HydrophobicContact CD2-CE2 3.65Å; F400-F404 HydrophobicContact CE1-CB 4.04Å; F400-F404 AromaticContact CE1-CD2 3.97Å; F400-F404 HydrophobicContact CE1-CD2 3.97Å; F400-F404 HydrophobicContact CE1-CG 4.27Å; F400-F404 AromaticContact CE2-CD2 3.33Å; F400-F404 HydrophobicContact CE2-CD2 3.33Å; F400-F404 AromaticContact CE2-CE2 3.5Å; F400-F404 HydrophobicContact CE2-CE2 3.5Å; F400-F404 VanDerWaalsContact CE2-CE2 3.5Å; F400-F404 HydrophobicContact CE2-CG 4.16Å; F400-F404 HydrophobicContact CE2-CZ 4.42Å; F400-F404 AromaticContact CG-CD2 3.84Å; F400-F404 HydrophobicContact CG-CD2 3.84Å; F400-F404 HydrophobicContact CG-CE2 4.43Å; F400-F404 HydrophobicContact CZ-CB 4.23Å; F400-F404 AromaticContact CZ-CD2 3.61Å; F400-F404 HydrophobicContact CZ-CD2 3.61Å; F400-F404 HydrophobicContact CZ-CE2 4.17Å; F400-F404 HydrophobicContact CZ-CG 4Å; F400-F404 WeakPolarHBondContact O-CB 3.48Å; F400-F404 WeakPolarHBondContact O-CD2 3.41Å; F400-F404 PolarHBondContact O-N 3.26Å; F404-M408 HydrophobicContact CB-CB 3.95Å |
| 405 | G | 96.3 | Very high | 95.5 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | 78.3 | 167.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | T401 G407 A409 | T401-G405 CarbonylContact O-C 3.59Å; T401-G405 WeakPolarHBondContact O-CA 3.48Å; T401-G405 PolarHBondContact O-N 3.21Å; G405-G407 PolarHBondContact O-N 2.86Å; G405-A409 PolarHBondContact O-N 3.19Å; G405-A409 VanDerWaalsContact O-N 3.17Å |
| 406 | Y | 96.9 | Very high | 95.9 | Very high | 28 Ų | 28 | 47.8 Ų | 47.8 | 11% | 0.11 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -42.8 | -175.3 | -70.9 | -71.2 | 0 | 0 | 0 | 114.4 | L36 M258 M262 D265 T401 M408 A409 Y410 | L36-Y406 HydrophobicContact CD1-CE1 4.38Å; M258-Y406 HydrophobicContact CB-CE1 4.33Å; M262-Y406 VanDerWaalsContact CA-CZ 3.44Å; M262-Y406 WeakPolarHBondContact CA-OH 3.42Å; M262-Y406 HydrophobicContact CB-CD1 3.68Å; M262-Y406 HydrophobicContact CB-CD2 4.27Å; M262-Y406 HydrophobicContact CB-CE1 3.47Å; M262-Y406 VanDerWaalsContact CB-CE1 3.47Å; M262-Y406 HydrophobicContact CB-CE2 4.08Å; M262-Y406 HydrophobicContact CB-CG 4.08Å; M262-Y406 HydrophobicContact CG-CD1 3.74Å; M262-Y406 HydrophobicContact CG-CD2 3.73Å; M262-Y406 HydrophobicContact CG-CE1 3.98Å; M262-Y406 HydrophobicContact CG-CE2 3.94Å; M262-Y406 HydrophobicContact CG-CG 3.62Å; M262-Y406 PolarHBondContact N-OH 3.36Å; M262-Y406 HydrophobicContact SD-CD1 3.86Å; M262-Y406 HydrophobicContact SD-CD2 4.29Å; M262-Y406 HydrophobicContact SD-CG 3.67Å; D265-Y406 HydrophobicContact CB-CE2 4.34Å; D265-Y406 PolarHBondContact OD2-OH 3.39Å; T401-Y406 HydrophobicContact CG2-CD1 3.35Å; T401-Y406 HydrophobicContact CG2-CE1 3.44Å; T401-Y406 VanDerWaalsContact CG2-CE1 3.44Å; T401-Y406 HydrophobicContact CG2-CG 3.95Å; Y406-M408 PolarHBondContact O-N 3.02Å; Y406-A409 PolarHBondContact O-N 3.04Å; Y406-Y410 HydrophobicContact CD1-CE2 4.31Å; Y406-Y410 VanDerWaalsContact O-CD2 3.25Å; Y406-Y410 WeakPolarHBondContact O-CD2 3.32Å; Y406-Y410 PolarHBondContact O-N 2.77Å |
| 407 | G | 96.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 42.9 Ų | 42.9 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -49.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A324 G405 Y410 L411 | A324-G407 PolarHBondContact O-N 3.32Å; G405-G407 PolarHBondContact O-N 2.86Å; G407-Y410 PolarHBondContact O-N 3.31Å; G407-L411 PolarHBondContact O-N 3Å; G407-L411 VanDerWaalsContact O-N 3.11Å |
| 408 | M | 96.9 | Very high | 96.2 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 47% | 0.473 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.9 | -38.2 | 179.1 | -65.2 | -56.9 | 161.4 | 0 | 0 | 112.3 | F325 F400 F404 Y406 Y410 L411 C412 | F325-M408 HydrophobicContact CE1-CE 4.08Å; F400-M408 HydrophobicContact CE1-CB 4.45Å; F404-M408 HydrophobicContact CB-CB 3.95Å; Y406-M408 PolarHBondContact O-N 3.02Å; M408-Y410 VanDerWaalsContact C-N 3.33Å; M408-Y410 PolarHBondContact O-N 2.87Å; M408-L411 PolarHBondContact O-N 3.33Å; M408-L411 HydrophobicContact SD-CD1 4.02Å; M408-C412 PolarHBondContact O-N 3.47Å; M408-C412 VanDerWaalsContact O-N 3.08Å |
| 409 | A | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F400 T401 G405 Y406 L411 C412 F413 | F400-A409 HydrophobicContact CD1-CB 4.03Å; F400-A409 HydrophobicContact CE1-CB 4.34Å; T401-A409 HydrophobicContact CG2-CB 4.09Å; T401-A409 WeakPolarHBondContact OG1-CB 3.27Å; G405-A409 PolarHBondContact O-N 3.19Å; G405-A409 VanDerWaalsContact O-N 3.17Å; Y406-A409 PolarHBondContact O-N 3.04Å; A409-L411 PolarHBondContact O-N 3.47Å; A409-C412 WeakPolarHBondContact O-CB 3.41Å; A409-C412 PolarHBondContact O-N 2.93Å; A409-F413 HydrophobicContact CB-CE1 4.47Å; A409-F413 HydrophobicContact CB-CE2 4.04Å; A409-F413 HydrophobicContact CB-CZ 3.85Å; A409-F413 WeakPolarHBondContact O-CD1 3.48Å; A409-F413 WeakPolarHBondContact O-CD2 3.44Å; A409-F413 WeakPolarHBondContact O-CG 3.45Å; A409-F413 PolarHBondContact O-N 3.06Å |
| 410 | Y | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.9 | -28.6 | 179.5 | -87.6 | -104.7 | 0 | 0 | 0 | 114.1 | S255 M258 L259 M262 L320 T321 A324 Y406 G407 M408 F413 L414 | S255-Y410 PolarHBondContact O-OH 2.94Å; M258-Y410 HydrophobicContact CB-CE2 4.08Å; L259-Y410 WeakPolarHBondContact CA-OH 3.49Å; L259-Y410 WeakPolarHBondContact CB-OH 3.39Å; L259-Y410 PolarHBondContact N-OH 3.31Å; L259-Y410 VanDerWaalsContact N-OH 3.1Å; M262-Y410 HydrophobicContact SD-CE2 4.28Å; L320-Y410 HydrophobicContact CD2-CE1 3.96Å; L320-Y410 HydrophobicContact CG-CD1 4.35Å; L320-Y410 HydrophobicContact CG-CE1 3.87Å; T321-Y410 PolarHBondContact OG1-O 2.95Å; A324-Y410 HydrophobicContact CB-CD1 4Å; A324-Y410 HydrophobicContact CB-CD2 3.54Å; A324-Y410 HydrophobicContact CB-CE2 4.08Å; A324-Y410 HydrophobicContact CB-CG 3.46Å; A324-Y410 VanDerWaalsContact CB-CG 3.46Å; Y406-Y410 HydrophobicContact CD1-CE2 4.31Å; Y406-Y410 VanDerWaalsContact O-CD2 3.25Å; Y406-Y410 WeakPolarHBondContact O-CD2 3.32Å; Y406-Y410 PolarHBondContact O-N 2.77Å; G407-Y410 PolarHBondContact O-N 3.31Å; M408-Y410 VanDerWaalsContact C-N 3.33Å; M408-Y410 PolarHBondContact O-N 2.87Å; Y410-F413 HydrophobicContact CD1-CD2 4.35Å; Y410-F413 HydrophobicContact CD2-CD2 4.07Å; Y410-F413 HydrophobicContact CD2-CE2 4.07Å; Y410-F413 HydrophobicContact CE2-CD2 4.46Å; Y410-F413 HydrophobicContact CE2-CE2 4.27Å; Y410-F413 HydrophobicContact CG-CD2 4.05Å; Y410-F413 PolarHBondContact O-N 3.12Å; Y410-L414 WeakPolarHBondContact O-CB 3.36Å; Y410-L414 PolarHBondContact O-N 2.99Å |
| 411 | L | 96.8 | Very high | 96.3 | Very high | 68 Ų | 68 | 41.6 Ų | 41.6 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 167.9 | -78.2 | 179.5 | 0 | 0 | 0 | 111.1 | T321 F325 G407 M408 A409 F413 L414 I415 | T321-L411 HydrophobicContact CG2-CD2 3.76Å; T321-L411 HydrophobicContact CG2-CG 4.07Å; F325-L411 HydrophobicContact CE2-CD1 4.3Å; F325-L411 HydrophobicContact CE2-CD2 4.39Å; F325-L411 HydrophobicContact CE2-CG 4.02Å; F325-L411 HydrophobicContact CZ-CD1 3.6Å; F325-L411 HydrophobicContact CZ-CD2 4.47Å; F325-L411 HydrophobicContact CZ-CG 3.79Å; G407-L411 PolarHBondContact O-N 3Å; G407-L411 VanDerWaalsContact O-N 3.11Å; M408-L411 PolarHBondContact O-N 3.33Å; M408-L411 HydrophobicContact SD-CD1 4.02Å; A409-L411 PolarHBondContact O-N 3.47Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.25Å; L411-L414 WeakPolarHBondContact O-CB 3.4Å; L411-L414 PolarHBondContact O-N 3.26Å; L411-I415 WeakPolarHBondContact O-CG1 3.43Å; L411-I415 PolarHBondContact O-N 3.35Å |
| 412 | C | 96.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 27% | 0.27 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 111 | F400 M408 A409 L414 I415 L416 | F400-C412 HydrophobicContact CE1-CB 4.38Å; M408-C412 PolarHBondContact O-N 3.47Å; M408-C412 VanDerWaalsContact O-N 3.08Å; A409-C412 WeakPolarHBondContact O-CB 3.41Å; A409-C412 PolarHBondContact O-N 2.93Å; C412-L414 VanDerWaalsContact C-N 3.29Å; C412-L414 PolarHBondContact O-N 3.36Å; C412-I415 PolarHBondContact O-N 3.38Å; C412-L416 VanDerWaalsContact O-CG 3.29Å; C412-L416 WeakPolarHBondContact O-CG 3.33Å; C412-L416 PolarHBondContact O-N 3.09Å |
| 413 | F | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -37.6 | 177 | -59.3 | -16.9 | 0 | 0 | 0 | 112.7 | G251 G254 S255 M258 Q317 F393 A397 A409 Y410 L411 S417 | G251-F413 WeakPolarHBondContact CA-O 3.27Å; G251-F413 WeakPolarHBondContact O-CB 3.35Å; G254-F413 WeakPolarHBondContact O-CE2 3.38Å; S255-F413 VanDerWaalsContact N-CD2 3.35Å; S255-F413 WeakPolarHBondContact OG-CB 3.21Å; M258-F413 HydrophobicContact CB-CE2 4.14Å; M258-F413 HydrophobicContact CG-CE2 3.86Å; M258-F413 HydrophobicContact CG-CZ 3.91Å; Q317-F413 PolarHBondContact NE2-O 2.92Å; F393-F413 AromaticContact CE1-CD1 3.7Å; F393-F413 HydrophobicContact CE1-CD1 3.7Å; F393-F413 AromaticContact CE1-CE1 3.72Å; F393-F413 HydrophobicContact CE1-CE1 3.72Å; F393-F413 AromaticContact CZ-CD1 3.52Å; F393-F413 HydrophobicContact CZ-CD1 3.52Å; F393-F413 AromaticContact CZ-CE1 3.54Å; F393-F413 HydrophobicContact CZ-CE1 3.54Å; A397-F413 HydrophobicContact CB-CE1 3.65Å; A397-F413 HydrophobicContact CB-CZ 3.8Å; A409-F413 HydrophobicContact CB-CE1 4.47Å; A409-F413 HydrophobicContact CB-CE2 4.04Å; A409-F413 HydrophobicContact CB-CZ 3.85Å; A409-F413 WeakPolarHBondContact O-CD1 3.48Å; A409-F413 WeakPolarHBondContact O-CD2 3.44Å; A409-F413 WeakPolarHBondContact O-CG 3.45Å; A409-F413 PolarHBondContact O-N 3.06Å; Y410-F413 HydrophobicContact CD1-CD2 4.35Å; Y410-F413 HydrophobicContact CD2-CD2 4.07Å; Y410-F413 HydrophobicContact CD2-CE2 4.07Å; Y410-F413 HydrophobicContact CE2-CD2 4.46Å; Y410-F413 HydrophobicContact CE2-CE2 4.27Å; Y410-F413 HydrophobicContact CG-CD2 4.05Å; Y410-F413 PolarHBondContact O-N 3.12Å; L411-F413 VanDerWaalsContact C-N 3.32Å; L411-F413 PolarHBondContact O-N 3.25Å; F413-S417 PolarHBondContact O-N 2.92Å |
| 414 | L | 96.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 41.2 Ų | 41.2 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -44.5 | 176.6 | 178.9 | 65.2 | 0 | 0 | 0 | 111.4 | Q317 F318 Y410 L411 C412 L416 S417 I418 | Q317-L414 HydrophobicContact CB-CD1 4.06Å; Q317-L414 HydrophobicContact CG-CD1 4.22Å; F318-L414 HydrophobicContact CB-CD1 4.47Å; F318-L414 HydrophobicContact CD2-CD2 3.88Å; Y410-L414 WeakPolarHBondContact O-CB 3.36Å; Y410-L414 PolarHBondContact O-N 2.99Å; L411-L414 WeakPolarHBondContact O-CB 3.4Å; L411-L414 PolarHBondContact O-N 3.26Å; C412-L414 VanDerWaalsContact C-N 3.29Å; C412-L414 PolarHBondContact O-N 3.36Å; L414-L416 VanDerWaalsContact C-N 3.31Å; L414-L416 PolarHBondContact O-N 3.07Å; L414-S417 PolarHBondContact O-N 2.74Å; L414-S417 PolarHBondContact O-OG 3.36Å; L414-I418 PolarHBondContact O-N 2.95Å |
| 415 | I | 96.1 | Very high | 96.1 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 56% | 0.559 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.3 | -44.8 | 176.7 | -65.9 | 166.2 | 0 | 0 | 0 | 110.3 | L411 C412 S417 I418 | L411-I415 WeakPolarHBondContact O-CG1 3.43Å; L411-I415 PolarHBondContact O-N 3.35Å; C412-I415 PolarHBondContact O-N 3.38Å; I415-S417 VanDerWaalsContact C-N 3.26Å; I415-S417 PolarHBondContact O-N 3.06Å; I415-I418 PolarHBondContact O-N 2.75Å |
| 416 | L | 95.7 | Very high | 95.9 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.8 | -24.4 | 179.1 | -68.3 | 172.6 | 0 | 0 | 0 | 113.4 | L250 F393 C412 L414 I418 L419 P420 | L250-L416 HydrophobicContact CB-CB 4.15Å; L250-L416 HydrophobicContact CB-CD1 4.49Å; L250-L416 HydrophobicContact CD1-CD2 4.49Å; F393-L416 HydrophobicContact CD2-CD1 4.01Å; F393-L416 HydrophobicContact CE1-CD1 4.04Å; F393-L416 HydrophobicContact CE2-CD1 3.13Å; F393-L416 HydrophobicContact CZ-CD1 3.15Å; C412-L416 VanDerWaalsContact O-CG 3.29Å; C412-L416 WeakPolarHBondContact O-CG 3.33Å; C412-L416 PolarHBondContact O-N 3.09Å; L414-L416 VanDerWaalsContact C-N 3.31Å; L414-L416 PolarHBondContact O-N 3.07Å; L416-I418 VanDerWaalsContact C-N 3.29Å; L416-L419 HydrophobicContact CD2-CD1 3.62Å; L416-P420 VanDerWaalsContact O-CD 3.29Å; L416-P420 WeakPolarHBondContact O-CD 3.26Å |
| 417 | S | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -76.7 | -17.9 | 176.6 | 77.8 | 0 | 0 | 0 | 0 | 113.3 | R313 Q317 F413 L414 I415 P420 | R313-S417 PolarHBondContact NH2-O 3.19Å; Q317-S417 PolarHBondContact OE1-OG 3.08Å; F413-S417 PolarHBondContact O-N 2.92Å; L414-S417 PolarHBondContact O-N 2.74Å; L414-S417 PolarHBondContact O-OG 3.36Å; I415-S417 VanDerWaalsContact C-N 3.26Å; I415-S417 PolarHBondContact O-N 3.06Å; S417-P420 WeakPolarHBondContact O-CG 3.15Å |
| 418 | I | 95.9 | Very high | 95.2 | Very high | 73 Ų | 73 | 54.3 Ų | 54.3 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -82.7 | -34 | 176 | -62.3 | 167.8 | 0 | 0 | 0 | 111.8 | L414 I415 L416 I421 L422 | L414-I418 PolarHBondContact O-N 2.95Å; I415-I418 PolarHBondContact O-N 2.75Å; L416-I418 VanDerWaalsContact C-N 3.29Å; I418-I421 VanDerWaalsContact O-CB 3.26Å; I418-I421 WeakPolarHBondContact O-CB 3.27Å; I418-I421 PolarHBondContact O-N 3.01Å; I418-L422 HydrophobicContact CG2-CD1 4.19Å; I418-L422 HydrophobicContact CG2-CG 4.17Å; I418-L422 PolarHBondContact O-N 3.41Å |
| 419 | L | 95.5 | Very high | 94.7 | Very high | 74 Ų | 74 | 53 Ų | 53 | 39% | 0.387 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -48.4 | -49.4 | 179.6 | -65.4 | -177.4 | 0 | 0 | 0 | 115.2 | L416 I421 L422 Y423 | L416-L419 HydrophobicContact CD2-CD1 3.62Å; L419-I421 VanDerWaalsContact C-N 3.26Å; L419-I421 PolarHBondContact O-N 3.11Å; L419-L422 PolarHBondContact O-N 3.15Å; L419-Y423 PolarHBondContact O-N 3.2Å |
| 420 | P | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -30.2 | 177.1 | 23.5 | -35.3 | 0 | 0 | 0 | 113.8 | L244 I247 M310 L416 S417 Y423 V424 | L244-P420 HydrophobicContact CD1-CB 4.2Å; I247-P420 HydrophobicContact CD1-CB 4.39Å; I247-P420 HydrophobicContact CG1-CB 4.14Å; M310-P420 HydrophobicContact CE-CB 4.25Å; M310-P420 HydrophobicContact SD-CB 4.01Å; L416-P420 VanDerWaalsContact O-CD 3.29Å; L416-P420 WeakPolarHBondContact O-CD 3.26Å; S417-P420 WeakPolarHBondContact O-CG 3.15Å; P420-Y423 PolarHBondContact O-N 3.19Å; P420-V424 WeakPolarHBondContact O-CB 3.26Å; P420-V424 WeakPolarHBondContact O-CG2 3.47Å; P420-V424 PolarHBondContact O-N 3.08Å |
| 421 | I | 96.4 | Very high | 93.5 | Very high | 25 Ų | 25 | 58.5 Ų | 58.5 | 13% | 0.128 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.3 | -50.7 | 177.5 | -57.6 | 172.9 | 0 | 0 | 0 | 109.2 | L307 M310 I311 A314 I418 L419 Y423 V424 Y425 | L307-I421 HydrophobicContact CD1-CB 4.44Å; L307-I421 HydrophobicContact CD1-CG2 3.75Å; M310-I421 HydrophobicContact CB-CD1 4.36Å; M310-I421 HydrophobicContact CB-CG1 3.75Å; I311-I421 HydrophobicContact CD1-CG2 4.4Å; I311-I421 HydrophobicContact CG1-CD1 4.11Å; I311-I421 HydrophobicContact CG1-CG2 3.83Å; A314-I421 HydrophobicContact CB-CD1 3.87Å; I418-I421 VanDerWaalsContact O-CB 3.26Å; I418-I421 WeakPolarHBondContact O-CB 3.27Å; I418-I421 PolarHBondContact O-N 3.01Å; L419-I421 VanDerWaalsContact C-N 3.26Å; L419-I421 PolarHBondContact O-N 3.11Å; I421-Y423 VanDerWaalsContact C-N 3.28Å; I421-Y423 PolarHBondContact O-N 3.16Å; I421-V424 PolarHBondContact O-N 3.39Å; I421-Y425 WeakPolarHBondContact O-CB 3.37Å; I421-Y425 PolarHBondContact O-N 3.36Å |
| 422 | L | 96.1 | Very high | 92.4 | Very high | 106 Ų | 106 | 64.9 Ų | 64.9 | 56% | 0.555 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -60.9 | -40.1 | 177.8 | -62.1 | 177.5 | 0 | 0 | 0 | 111.4 | I418 L419 K426 | I418-L422 HydrophobicContact CG2-CD1 4.19Å; I418-L422 HydrophobicContact CG2-CG 4.17Å; I418-L422 PolarHBondContact O-N 3.41Å; L419-L422 PolarHBondContact O-N 3.15Å; L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.39Å; L422-K426 PolarHBondContact O-N 3.49Å |
| 423 | Y | 96.2 | Very high | 91.5 | Very high | 32 Ų | 32 | 63.7 Ų | 63.7 | 13% | 0.125 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -52.4 | 177.7 | -177.8 | -93.9 | 0 | 0 | 0 | 112.1 | C240 V243 L244 I247 L419 P420 I421 Y425 K426 Y427 F431 | C240-Y423 WeakPolarHBondContact CA-OH 2.92Å; C240-Y423 PolarHBondContact O-OH 3.2Å; V243-Y423 HydrophobicContact CB-CE1 4.4Å; V243-Y423 HydrophobicContact CB-CE2 4.09Å; V243-Y423 HydrophobicContact CG1-CD2 3.99Å; V243-Y423 HydrophobicContact CG1-CE1 4.27Å; V243-Y423 HydrophobicContact CG1-CE2 3.4Å; L244-Y423 HydrophobicContact CB-CD1 4.32Å; L244-Y423 HydrophobicContact CB-CE1 4.11Å; L244-Y423 HydrophobicContact CD1-CD1 4.3Å; I247-Y423 HydrophobicContact CD1-CD1 4.31Å; I247-Y423 HydrophobicContact CD1-CD2 4.31Å; I247-Y423 HydrophobicContact CD1-CG 3.86Å; L419-Y423 PolarHBondContact O-N 3.2Å; P420-Y423 PolarHBondContact O-N 3.19Å; I421-Y423 VanDerWaalsContact C-N 3.28Å; I421-Y423 PolarHBondContact O-N 3.16Å; Y423-Y425 VanDerWaalsContact C-N 3.33Å; Y423-Y425 PolarHBondContact O-N 3.17Å; Y423-K426 PolarHBondContact O-N 3.19Å; Y423-Y427 AromaticContact CD2-CD2 3.45Å; Y423-Y427 HydrophobicContact CD2-CD2 3.45Å; Y423-Y427 VanDerWaalsContact CD2-CD2 3.45Å; Y423-Y427 AromaticContact CD2-CE2 3.71Å; Y423-Y427 HydrophobicContact CD2-CE2 3.71Å; Y423-Y427 HydrophobicContact CE1-CD2 4.43Å; Y423-Y427 AromaticContact CE2-CD2 3.31Å; Y423-Y427 HydrophobicContact CE2-CD2 3.31Å; Y423-Y427 AromaticContact CE2-CE2 3.59Å; Y423-Y427 HydrophobicContact CE2-CE2 3.59Å; Y423-Y427 HydrophobicContact CE2-CG 4.18Å; Y423-Y427 HydrophobicContact CG-CD2 4.06Å; Y423-Y427 AromaticContact CZ-CD2 3.84Å; Y423-Y427 WeakPolarHBondContact O-CB 3.3Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.42Å; Y423-Y427 PolarHBondContact O-N 3.18Å; Y423-F431 HydrophobicContact CE1-CZ 4.29Å |
| 424 | V | 94.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -41.6 | -179.7 | 169.4 | 0 | 0 | 0 | 0 | 111 | L244 L303 L307 P420 I421 K426 S428 | L244-V424 HydrophobicContact CD1-CG2 3.58Å; L244-V424 HydrophobicContact CD2-CG2 4Å; L244-V424 HydrophobicContact CG-CG2 4.43Å; L303-V424 HydrophobicContact CD1-CG1 3.63Å; L303-V424 HydrophobicContact CD1-CG2 4.41Å; L303-V424 HydrophobicContact CD2-CG1 4.22Å; L303-V424 HydrophobicContact CG-CG1 3.75Å; L307-V424 HydrophobicContact CB-CG1 4.08Å; L307-V424 HydrophobicContact CD1-CB 4.21Å; L307-V424 HydrophobicContact CD1-CG1 4.06Å; L307-V424 HydrophobicContact CG-CG1 4.45Å; P420-V424 WeakPolarHBondContact O-CB 3.26Å; P420-V424 WeakPolarHBondContact O-CG2 3.47Å; P420-V424 PolarHBondContact O-N 3.08Å; I421-V424 PolarHBondContact O-N 3.39Å; V424-K426 PolarHBondContact O-N 3.37Å; V424-S428 WeakPolarHBondContact O-CA 3.18Å; V424-S428 WeakPolarHBondContact O-CB 3.23Å; V424-S428 PolarHBondContact O-N 3.31Å |
| 425 | Y | 92.8 | Very high | 88.5 | Confident | 179 Ų | 179 | 73.5 Ų | 73.5 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 176.6 | -174.9 | -98.7 | 0 | 0 | 0 | 111.8 | I421 Y423 | I421-Y425 WeakPolarHBondContact O-CB 3.37Å; I421-Y425 PolarHBondContact O-N 3.36Å; Y423-Y425 VanDerWaalsContact C-N 3.33Å; Y423-Y425 PolarHBondContact O-N 3.17Å |
| 426 | K | 93.4 | Very high | 88.1 | Confident | 153 Ų | 153 | 71.8 Ų | 71.8 | 67% | 0.665 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -71.4 | -35.1 | -178.1 | -176.2 | 173.2 | -179.4 | 174.8 | 0 | 113.8 | L422 Y423 V424 | L422-K426 VanDerWaalsContact O-CB 3.29Å; L422-K426 WeakPolarHBondContact O-CB 3.39Å; L422-K426 PolarHBondContact O-N 3.49Å; Y423-K426 PolarHBondContact O-N 3.19Å; V424-K426 PolarHBondContact O-N 3.37Å |
| 427 | Y | 91.7 | Very high | 87.7 | Confident | 66 Ų | 66 | 74 Ų | 74 | 26% | 0.259 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -111.7 | 16.4 | -171.3 | -64.7 | -69.6 | 0 | 0 | 0 | 114.1 | Y423 G429 K430 F431 | Y423-Y427 AromaticContact CD2-CD2 3.45Å; Y423-Y427 HydrophobicContact CD2-CD2 3.45Å; Y423-Y427 VanDerWaalsContact CD2-CD2 3.45Å; Y423-Y427 AromaticContact CD2-CE2 3.71Å; Y423-Y427 HydrophobicContact CD2-CE2 3.71Å; Y423-Y427 HydrophobicContact CE1-CD2 4.43Å; Y423-Y427 AromaticContact CE2-CD2 3.31Å; Y423-Y427 HydrophobicContact CE2-CD2 3.31Å; Y423-Y427 AromaticContact CE2-CE2 3.59Å; Y423-Y427 HydrophobicContact CE2-CE2 3.59Å; Y423-Y427 HydrophobicContact CE2-CG 4.18Å; Y423-Y427 HydrophobicContact CG-CD2 4.06Å; Y423-Y427 AromaticContact CZ-CD2 3.84Å; Y423-Y427 WeakPolarHBondContact O-CB 3.3Å; Y423-Y427 WeakPolarHBondContact O-CD2 3.42Å; Y423-Y427 PolarHBondContact O-N 3.18Å; Y427-G429 VanDerWaalsContact C-N 3.29Å; Y427-G429 PolarHBondContact O-N 3Å; Y427-K430 HydrophobicContact CD1-CD 3.73Å; Y427-K430 HydrophobicContact CD1-CG 4.4Å; Y427-K430 HydrophobicContact CE1-CD 4.41Å; Y427-K430 WeakPolarHBondContact O-CB 3.2Å; Y427-K430 PolarHBondContact O-N 3.25Å; Y427-F431 WeakPolarHBondContact O-CD2 3.48Å |
| 428 | S | 87.3 | Confident | 87.3 | Confident | 64 Ų | 64 | 78.1 Ų | 78.1 | 45% | 0.448 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -51.1 | -44.1 | -178.3 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | V424 K430 F431 | V424-S428 WeakPolarHBondContact O-CA 3.18Å; V424-S428 WeakPolarHBondContact O-CB 3.23Å; V424-S428 PolarHBondContact O-N 3.31Å; S428-K430 PolarHBondContact O-N 2.93Å; S428-F431 PolarHBondContact O-N 3.05Å |
| 429 | G | 84.9 | Confident | 86.7 | Confident | 68 Ų | 68 | 78.4 Ų | 78.4 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -70.4 | -5.4 | 178 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y427 | Y427-G429 VanDerWaalsContact C-N 3.29Å; Y427-G429 PolarHBondContact O-N 3Å |
| 430 | K | 85.8 | Confident | 86.2 | Confident | 108 Ų | 108 | 78.7 Ų | 78.7 | 47% | 0.47 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -94 | -8.4 | 177.6 | -61.8 | -165.5 | -179 | 179.8 | 0 | 113.8 | C240 Y427 S428 R432 | C240-K430 WeakPolarHBondContact SG-CB 3.25Å; Y427-K430 HydrophobicContact CD1-CD 3.73Å; Y427-K430 HydrophobicContact CD1-CG 4.4Å; Y427-K430 HydrophobicContact CE1-CD 4.41Å; Y427-K430 WeakPolarHBondContact O-CB 3.2Å; Y427-K430 PolarHBondContact O-N 3.25Å; S428-K430 PolarHBondContact O-N 2.93Å; K430-R432 PolarHBondContact O-N 3.01Å |
| 431 | F | 84 | Confident | 85.5 | Confident | 7 Ų | 7 | 83.9 Ų | 83.9 | 3% | 0.031 | 43% | 0.425 | C | S | . | . | trans | -77.3 | 61.7 | 174.1 | -70.4 | -91.9 | 0 | 0 | 0 | 111.2 | C240 L241 L244 L303 Y423 Y427 S428 F433 L434 | C240-F431 HydrophobicContact CB-CE1 4.4Å; C240-F431 HydrophobicContact CB-CZ 4.3Å; L241-F431 HydrophobicContact CB-CE1 4.45Å; L241-F431 HydrophobicContact CD1-CE1 4.33Å; L244-F431 HydrophobicContact CB-CZ 4.45Å; L244-F431 HydrophobicContact CD2-CE1 4.11Å; L244-F431 HydrophobicContact CD2-CZ 3.94Å; L303-F431 HydrophobicContact CD1-CD1 4.49Å; L303-F431 HydrophobicContact CD1-CD2 4.14Å; L303-F431 HydrophobicContact CD1-CE1 4.44Å; L303-F431 HydrophobicContact CD1-CE2 4.08Å; L303-F431 HydrophobicContact CD1-CG 4.36Å; L303-F431 HydrophobicContact CD1-CZ 4.24Å; L303-F431 HydrophobicContact CD2-CD2 3.79Å; L303-F431 HydrophobicContact CD2-CE2 4.31Å; L303-F431 HydrophobicContact CD2-CG 4.26Å; Y423-F431 HydrophobicContact CE1-CZ 4.29Å; Y427-F431 WeakPolarHBondContact O-CD2 3.48Å; S428-F431 PolarHBondContact O-N 3.05Å; F431-F433 HydrophobicContact CB-CE1 4.29Å; F431-F433 AromaticContact CD1-CE1 3.71Å; F431-F433 HydrophobicContact CD1-CE1 3.71Å; F431-F433 AromaticContact CD1-CZ 3.7Å; F431-F433 HydrophobicContact CD1-CZ 3.7Å; F431-F433 HydrophobicContact CG-CE1 4.46Å; F431-F433 PolarHBondContact O-N 3.24Å; F431-F433 VanDerWaalsContact O-N 3.13Å; F431-L434 HydrophobicContact CB-CD1 3.82Å; F431-L434 HydrophobicContact CB-CG 4.26Å; F431-L434 WeakPolarHBondContact O-CG 3.03Å; F431-L434 PolarHBondContact O-N 3.22Å | ||
| 432 | R | 74.4 | Confident | 84.8 | Confident | 203 Ų | 203 | 88.1 Ų | 88.1 | 77% | 0.766 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.3 | -170.1 | -65.9 | -178.6 | 179.4 | -178.1 | -1.9 | 115.7 | K430 L434 | K430-R432 PolarHBondContact O-N 3.01Å; R432-L434 VanDerWaalsContact C-N 3.28Å |
| 433 | F | 76.4 | Confident | 83.9 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 7% | 0.066 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -5.1 | 178.5 | 60 | -94.3 | 0 | 0 | 0 | 113.6 | L241 L361 C365 S368 E369 F431 | L241-F433 HydrophobicContact CB-CE1 4.32Å; L241-F433 HydrophobicContact CB-CZ 4.39Å; L241-F433 HydrophobicContact CD2-CZ 4.02Å; L361-F433 HydrophobicContact CB-CE2 4.43Å; L361-F433 HydrophobicContact CD2-CE2 4Å; C365-F433 HydrophobicContact CB-CD1 4.15Å; C365-F433 HydrophobicContact CB-CD2 3.76Å; C365-F433 HydrophobicContact CB-CE1 4.17Å; C365-F433 HydrophobicContact CB-CE2 3.79Å; C365-F433 HydrophobicContact CB-CG 3.94Å; C365-F433 HydrophobicContact CB-CZ 3.99Å; S368-F433 WeakPolarHBondContact OG-CB 3.36Å; E369-F433 HydrophobicContact CG-CB 4.35Å; E369-F433 WeakPolarHBondContact OE1-CB 3.13Å; F431-F433 HydrophobicContact CB-CE1 4.29Å; F431-F433 AromaticContact CD1-CE1 3.71Å; F431-F433 HydrophobicContact CD1-CE1 3.71Å; F431-F433 AromaticContact CD1-CZ 3.7Å; F431-F433 HydrophobicContact CD1-CZ 3.7Å; F431-F433 HydrophobicContact CG-CE1 4.46Å; F431-F433 PolarHBondContact O-N 3.24Å; F431-F433 VanDerWaalsContact O-N 3.13Å |
| 434 | L | 71.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 22% | 0.22 | 46% | 0.464 | C | S | . | . | trans | -75 | 134.2 | 174.7 | -66.1 | 176.4 | 0 | 0 | 0 | 109.5 | P302 L303 L361 F431 R432 | P302-L434 HydrophobicContact CG-CD2 3.46Å; P302-L434 VanDerWaalsContact CG-CD2 3.46Å; L303-L434 HydrophobicContact CB-CD1 4.05Å; L361-L434 HydrophobicContact CD2-CD2 3.46Å; L361-L434 VanDerWaalsContact CD2-CD2 3.46Å; F431-L434 HydrophobicContact CB-CD1 3.82Å; F431-L434 HydrophobicContact CB-CG 4.26Å; F431-L434 WeakPolarHBondContact O-CG 3.03Å; F431-L434 PolarHBondContact O-N 3.22Å; R432-L434 VanDerWaalsContact C-N 3.28Å | ||
| 435 | P | 58.5 | Low | 81.8 | Confident | 189 Ų | 189 | 99.5 Ų | 99.5 | 100% | 1.227 | 51% | 0.505 | S | S | * | . | trans | -64.4 | 0 | 176.2 | 28.6 | -34.9 | 0 | 0 | 0 | 112.9 |
Retrieved 435 of 435 residues in 279.4 ms
(Link to these results)