| 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 | 52.5 | Low | 84.6 | Confident | 245 Ų | 245 | 70.5 Ų | 70.5 | 100% | 1.207 | 34% | 0.335 | S | S | * | . | 0 | 121.1 | 0 | -156.1 | 179.4 | -68.7 | 0 | 0 | 107.1 | S3 | M1-S3 PolarHBondContact O-N 3.04Š| |||
| 2 | I | 70.8 | Confident | 85.4 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 59% | 0.59 | 31% | 0.307 | S | S | * | . | trans | -64.2 | 127.9 | -178.3 | -74.1 | 167.5 | 0 | 0 | 0 | 108.9 | F6 K7 | I2-F6 HydrophobicContact CG2-CB 4.2Å; I2-F6 HydrophobicContact CG2-CD1 3.73Å; I2-F6 HydrophobicContact CG2-CG 4.44Å; I2-K7 HydrophobicContact CG2-CB 4.05Å | ||
| 3 | S | 83.2 | Confident | 86.1 | Confident | 36 Ų | 36 | 59.7 Ų | 59.7 | 25% | 0.252 | 28% | 0.284 | S | S | . | . | trans | -65.6 | 146.7 | 177.9 | 76.9 | 0 | 0 | 0 | 0 | 110.4 | M1 N5 F6 K7 Q123 | M1-S3 PolarHBondContact O-N 3.04Å; S3-N5 PolarHBondContact O-N 3.42Å; S3-F6 WeakPolarHBondContact O-CB 3.4Å; S3-F6 PolarHBondContact O-N 3.33Å; S3-F6 VanDerWaalsContact OG-CB 3.25Å; S3-F6 WeakPolarHBondContact OG-CB 3.26Å; S3-F6 PolarHBondContact OG-N 2.83Å; S3-K7 PolarHBondContact O-N 2.94Å; S3-Q123 PolarHBondContact OG-OE1 3.16Å | ||
| 4 | R | 86 | Confident | 86.8 | Confident | 157 Ų | 157 | 61 Ų | 61 | 59% | 0.592 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -53.1 | -42.7 | 178.7 | -174.5 | 179 | 71.6 | -178.7 | 4.4 | 111.8 | F6 K7 N8 D230 | R4-F6 PolarHBondContact O-N 2.92Å; R4-K7 WeakPolarHBondContact O-CB 3.29Å; R4-K7 PolarHBondContact O-N 3.34Å; R4-N8 PolarHBondContact O-N 3.31Å; R4-N8 PolarHBondContact O-ND2 2.95Å; R4-D230 WeakPolarHBondContact CD-OD2 3.49Å; R4-D230 VanDerWaalsContact CG-OD2 3.28Å; R4-D230 WeakPolarHBondContact CG-OD2 3.49Å |
| 5 | N | 85.3 | Confident | 87.4 | Confident | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 179.1 | -66.1 | -10.8 | 0 | 0 | 0 | 111.4 | S3 N8 V9 S119 Q123 | S3-N5 PolarHBondContact O-N 3.42Å; N5-N8 PolarHBondContact O-N 2.98Å; N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.26Å; N5-V9 PolarHBondContact O-N 3.46Å; N5-S119 PolarHBondContact ND2-O 2.81Å; N5-Q123 HydrophobicContact CB-CB 4.39Å; N5-Q123 PolarHBondContact ND2-OE1 2.95Å |
| 6 | F | 87.7 | Confident | 87.9 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 25% | 0.246 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 175.1 | -170.3 | -102.1 | 0 | 0 | 0 | 112.3 | I2 S3 R4 N8 V9 L10 Y138 I141 | I2-F6 HydrophobicContact CG2-CB 4.2Å; I2-F6 HydrophobicContact CG2-CD1 3.73Å; I2-F6 HydrophobicContact CG2-CG 4.44Å; S3-F6 WeakPolarHBondContact O-CB 3.4Å; S3-F6 PolarHBondContact O-N 3.33Å; S3-F6 VanDerWaalsContact OG-CB 3.25Å; S3-F6 WeakPolarHBondContact OG-CB 3.26Å; S3-F6 PolarHBondContact OG-N 2.83Å; R4-F6 PolarHBondContact O-N 2.92Å; F6-N8 VanDerWaalsContact C-N 3.32Å; F6-N8 PolarHBondContact O-N 3Å; F6-V9 PolarHBondContact O-N 3.44Å; F6-L10 HydrophobicContact CD1-CD1 3.94Å; F6-L10 HydrophobicContact CD1-CG 4.33Å; F6-L10 HydrophobicContact CE1-CD1 3.7Å; F6-L10 HydrophobicContact CE1-CD2 4.49Å; F6-L10 HydrophobicContact CE1-CG 4.14Å; F6-L10 WeakPolarHBondContact O-CG 3.49Å; F6-L10 PolarHBondContact O-N 3.42Å; F6-Y138 AromaticContact CD2-CE1 3.83Å; F6-Y138 HydrophobicContact CD2-CE1 3.83Å; F6-I141 HydrophobicContact CE2-CD1 3.54Å; F6-I141 HydrophobicContact CZ-CD1 4.1Å |
| 7 | K | 92.3 | Very high | 88.3 | Confident | 97 Ų | 97 | 52 Ų | 52 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 171.6 | -179.3 | -167.6 | 170.4 | -165 | 0 | 110.8 | I2 S3 R4 V9 L10 V11 | I2-K7 HydrophobicContact CG2-CB 4.05Å; S3-K7 PolarHBondContact O-N 2.94Å; R4-K7 WeakPolarHBondContact O-CB 3.29Å; R4-K7 PolarHBondContact O-N 3.34Å; K7-V9 VanDerWaalsContact C-N 3.34Å; K7-V9 PolarHBondContact O-N 3.21Å; K7-L10 WeakPolarHBondContact O-CB 3.38Å; K7-L10 PolarHBondContact O-N 3.11Å; K7-L10 VanDerWaalsContact O-N 3.16Å; K7-V11 HydrophobicContact CG-CG2 4.47Å; K7-V11 WeakPolarHBondContact O-CG2 3.22Å; K7-V11 PolarHBondContact O-N 2.9Å |
| 8 | N | 92.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.3 | -39.3 | -179.9 | -69.4 | -23.3 | 0 | 0 | 0 | 112.2 | R4 N5 F6 L10 V11 V12 Y115 L229 D230 | R4-N8 PolarHBondContact O-N 3.31Å; R4-N8 PolarHBondContact O-ND2 2.95Å; N5-N8 PolarHBondContact O-N 2.98Å; F6-N8 VanDerWaalsContact C-N 3.32Å; F6-N8 PolarHBondContact O-N 3Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.43Å; N8-V11 PolarHBondContact O-N 3.11Å; N8-V12 WeakPolarHBondContact O-CG2 3.37Å; N8-V12 PolarHBondContact O-N 3.38Å; N8-Y115 HydrophobicContact CB-CE1 3.97Å; N8-Y115 WeakPolarHBondContact CB-OH 3.47Å; N8-L229 HydrophobicContact CB-CD1 4.02Å; N8-D230 WeakPolarHBondContact ND2-CB 3.48Å; N8-D230 PolarHBondContact ND2-OD2 2.9Å; N8-D230 PolarHBondContact OD1-OD2 2.83Å |
| 9 | V | 91.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.3 | -44.6 | 173 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | N5 F6 K7 V12 S13 L116 Y138 | N5-V9 VanDerWaalsContact O-CG2 3.25Å; N5-V9 WeakPolarHBondContact O-CG2 3.26Å; N5-V9 PolarHBondContact O-N 3.46Å; F6-V9 PolarHBondContact O-N 3.44Å; K7-V9 VanDerWaalsContact C-N 3.34Å; K7-V9 PolarHBondContact O-N 3.21Å; V9-V12 PolarHBondContact O-N 2.78Å; V9-S13 WeakPolarHBondContact O-CB 3.37Å; V9-S13 PolarHBondContact O-N 3.24Å; V9-S13 PolarHBondContact O-OG 3.48Å; V9-L116 HydrophobicContact CB-CD2 4.2Å; V9-L116 HydrophobicContact CG1-CD2 3.94Å; V9-L116 HydrophobicContact CG2-CD2 3.76Å; V9-Y138 HydrophobicContact CG1-CG 4.36Å; V9-Y138 HydrophobicContact CG2-CD1 4.3Å; V9-Y138 HydrophobicContact CG2-CD2 3.43Å; V9-Y138 VanDerWaalsContact CG2-CD2 3.43Å; V9-Y138 HydrophobicContact CG2-CE2 3.69Å; V9-Y138 HydrophobicContact CG2-CG 3.74Å |
| 10 | L | 93.9 | Very high | 89.4 | Confident | 49 Ų | 49 | 46.1 Ų | 46.1 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64 | -42.6 | 176.6 | -68.8 | 177.2 | 0 | 0 | 0 | 112.1 | F6 K7 N8 S13 I14 I141 I145 | F6-L10 HydrophobicContact CD1-CD1 3.94Å; F6-L10 HydrophobicContact CD1-CG 4.33Å; F6-L10 HydrophobicContact CE1-CD1 3.7Å; F6-L10 HydrophobicContact CE1-CD2 4.49Å; F6-L10 HydrophobicContact CE1-CG 4.14Å; F6-L10 WeakPolarHBondContact O-CG 3.49Å; F6-L10 PolarHBondContact O-N 3.42Å; K7-L10 WeakPolarHBondContact O-CB 3.38Å; K7-L10 PolarHBondContact O-N 3.11Å; K7-L10 VanDerWaalsContact O-N 3.16Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.43Å; L10-S13 PolarHBondContact O-N 3.05Å; L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3Å; L10-I141 HydrophobicContact CD2-CG2 4.27Å; L10-I145 HydrophobicContact CD2-CD1 3.91Å |
| 11 | V | 95.6 | Very high | 89.6 | Confident | 16 Ų | 16 | 44.6 Ų | 44.6 | 10% | 0.097 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.1 | -47.7 | 176.7 | 172.2 | 0 | 0 | 0 | 0 | 111 | K7 N8 S13 I14 G15 I224 I225 F228 L229 | K7-V11 HydrophobicContact CG-CG2 4.47Å; K7-V11 WeakPolarHBondContact O-CG2 3.22Å; K7-V11 PolarHBondContact O-N 2.9Å; N8-V11 PolarHBondContact O-N 3.11Å; V11-S13 VanDerWaalsContact C-N 3.3Å; V11-S13 PolarHBondContact O-N 3.05Å; V11-I14 PolarHBondContact O-N 3.35Å; V11-G15 PolarHBondContact O-N 3.38Å; V11-I224 HydrophobicContact CG1-CG2 3.99Å; V11-I225 HydrophobicContact CG1-CD1 4.17Å; V11-F228 HydrophobicContact CG1-CB 3.89Å; V11-F228 HydrophobicContact CG2-CB 4Å; V11-L229 HydrophobicContact CB-CD1 4.43Å; V11-L229 HydrophobicContact CG1-CB 4.16Å; V11-L229 HydrophobicContact CG1-CD1 4.26Å |
| 12 | V | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | N8 V9 G15 F16 K112 Y115 F142 L229 | N8-V12 WeakPolarHBondContact O-CG2 3.37Å; N8-V12 PolarHBondContact O-N 3.38Å; V9-V12 PolarHBondContact O-N 2.78Å; V12-G15 PolarHBondContact O-N 2.74Å; V12-F16 HydrophobicContact CG1-CD2 3.92Å; V12-F16 HydrophobicContact CG1-CE2 3.99Å; V12-F16 VanDerWaalsContact O-CD2 3.27Å; V12-F16 WeakPolarHBondContact O-CD2 3.45Å; V12-F16 PolarHBondContact O-N 2.96Å; V12-K112 HydrophobicContact CG1-CG 3.9Å; V12-Y115 HydrophobicContact CG2-CD1 4.02Å; V12-Y115 HydrophobicContact CG2-CE1 4.06Å; V12-F142 HydrophobicContact CG1-CD2 4.1Å; V12-F142 HydrophobicContact CG1-CE2 3.93Å; V12-L229 HydrophobicContact CG2-CD1 3.41Å; V12-L229 VanDerWaalsContact CG2-CD1 3.41Å; V12-L229 HydrophobicContact CG2-CD2 3.8Å; V12-L229 HydrophobicContact CG2-CG 4.27Å |
| 13 | S | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.3 | -43.8 | -177.9 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | V9 L10 V11 F16 L17 F142 | V9-S13 WeakPolarHBondContact O-CB 3.37Å; V9-S13 PolarHBondContact O-N 3.24Å; V9-S13 PolarHBondContact O-OG 3.48Å; L10-S13 PolarHBondContact O-N 3.05Å; V11-S13 VanDerWaalsContact C-N 3.3Å; V11-S13 PolarHBondContact O-N 3.05Å; S13-F16 PolarHBondContact O-N 2.89Å; S13-L17 VanDerWaalsContact O-CB 3.32Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 PolarHBondContact O-N 2.81Å; S13-F142 WeakPolarHBondContact OG-CA 3.29Å |
| 14 | I | 95.5 | Very high | 93 | Very high | 78 Ų | 78 | 27 Ų | 27 | 40% | 0.4 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -68.3 | -41.4 | 177.4 | -66.9 | 167.9 | 0 | 0 | 0 | 110.9 | L10 V11 F16 L17 S18 I224 | L10-I14 WeakPolarHBondContact O-CG1 3.22Å; L10-I14 PolarHBondContact O-N 3Å; V11-I14 PolarHBondContact O-N 3.35Å; I14-F16 PolarHBondContact O-N 3.3Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 3.38Å; I14-S18 PolarHBondContact O-N 3Å; I14-S18 PolarHBondContact O-OG 3.33Å; I14-I224 HydrophobicContact CG2-CD1 4.21Å |
| 15 | G | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V11 V12 S18 L19 A221 | V11-G15 PolarHBondContact O-N 3.38Å; V12-G15 PolarHBondContact O-N 2.74Å; G15-S18 PolarHBondContact O-N 3.22Å; G15-L19 PolarHBondContact O-N 3.11Å; G15-A221 WeakPolarHBondContact O-CB 3.38Å |
| 16 | F | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.2 | -88.7 | -111.7 | 0 | 0 | 0 | 112.3 | V12 S13 I14 S18 L19 F20 I72 M76 L108 W109 K112 F142 F146 | V12-F16 HydrophobicContact CG1-CD2 3.92Å; V12-F16 HydrophobicContact CG1-CE2 3.99Å; V12-F16 VanDerWaalsContact O-CD2 3.27Å; V12-F16 WeakPolarHBondContact O-CD2 3.45Å; V12-F16 PolarHBondContact O-N 2.96Å; S13-F16 PolarHBondContact O-N 2.89Å; I14-F16 PolarHBondContact O-N 3.3Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.1Å; F16-L19 PolarHBondContact O-N 3.3Å; F16-F20 HydrophobicContact CD1-CD2 4.28Å; F16-F20 AromaticContact CD1-CE2 3.88Å; F16-F20 HydrophobicContact CD1-CE2 3.88Å; F16-F20 HydrophobicContact CE1-CE2 4.34Å; F16-F20 WeakPolarHBondContact O-CB 3.37Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; F16-F20 PolarHBondContact O-N 3.29Å; F16-I72 HydrophobicContact CE2-CG2 3.87Å; F16-M76 HydrophobicContact CD2-CE 3.69Å; F16-M76 HydrophobicContact CE2-CE 3.92Å; F16-M76 HydrophobicContact CG-CE 4.43Å; F16-L108 HydrophobicContact CD1-CD2 4.29Å; F16-L108 HydrophobicContact CE1-CD2 3.3Å; F16-L108 HydrophobicContact CE1-CG 4.16Å; F16-L108 HydrophobicContact CZ-CD2 3.45Å; F16-L108 VanDerWaalsContact CZ-CD2 3.45Å; F16-L108 HydrophobicContact CZ-CG 3.77Å; F16-W109 HydrophobicContact CD1-CH2 4.43Å; F16-W109 HydrophobicContact CE1-CD2 4.43Å; F16-W109 HydrophobicContact CE1-CE3 4.25Å; F16-W109 HydrophobicContact CE1-CH2 4.49Å; F16-W109 HydrophobicContact CE1-CZ3 4.28Å; F16-K112 HydrophobicContact CE1-CB 4.19Å; F16-K112 HydrophobicContact CE1-CD 4.12Å; F16-K112 HydrophobicContact CE1-CG 4.05Å; F16-K112 HydrophobicContact CE2-CB 3.82Å; F16-K112 HydrophobicContact CE2-CG 3.89Å; F16-K112 HydrophobicContact CZ-CB 3.39Å; F16-K112 HydrophobicContact CZ-CD 4.15Å; F16-K112 HydrophobicContact CZ-CG 3.6Å; F16-F142 HydrophobicContact CB-CE2 3.83Å; F16-F142 HydrophobicContact CB-CZ 3.94Å; F16-F142 AromaticContact CD1-CE2 3.99Å; F16-F142 HydrophobicContact CD1-CE2 3.99Å; F16-F142 AromaticContact CD1-CZ 3.56Å; F16-F142 HydrophobicContact CD1-CZ 3.56Å; F16-F142 HydrophobicContact CD2-CE2 4.03Å; F16-F142 HydrophobicContact CD2-CZ 4.44Å; F16-F142 HydrophobicContact CE1-CZ 4.11Å; F16-F142 AromaticContact CG-CE2 3.69Å; F16-F142 HydrophobicContact CG-CE2 3.69Å; F16-F142 AromaticContact CG-CZ 3.73Å; F16-F142 HydrophobicContact CG-CZ 3.73Å; F16-F146 HydrophobicContact CB-CD2 4.13Å; F16-F146 HydrophobicContact CD1-CD2 4.44Å |
| 17 | L | 95 | Very high | 93.6 | Very high | 30 Ų | 30 | 18 Ų | 18 | 16% | 0.157 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -54.1 | -50.7 | 172.9 | 166.1 | 63 | 0 | 0 | 0 | 111.2 | S13 I14 T21 I145 S148 S149 | S13-L17 VanDerWaalsContact O-CB 3.32Å; S13-L17 WeakPolarHBondContact O-CB 3.48Å; S13-L17 PolarHBondContact O-N 2.81Å; I14-L17 WeakPolarHBondContact O-CB 3.33Å; I14-L17 PolarHBondContact O-N 3.38Å; L17-T21 WeakPolarHBondContact O-CB 3.25Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 3.25Å; L17-I145 HydrophobicContact CB-CG2 4.14Å; L17-I145 HydrophobicContact CD2-CG2 3.91Å; L17-S148 WeakPolarHBondContact CD1-OG 3.34Å; L17-S149 VanDerWaalsContact CD1-CA 3.45Å; L17-S149 WeakPolarHBondContact O-CB 3.44Å |
| 18 | S | 95.8 | Very high | 93.4 | Very high | 17 Ų | 17 | 13.7 Ų | 13.7 | 12% | 0.119 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.8 | -63.2 | 0 | 0 | 0 | 0 | 112 | I14 G15 F16 F20 T21 A22 V217 | I14-S18 PolarHBondContact O-N 3Å; I14-S18 PolarHBondContact O-OG 3.33Å; G15-S18 PolarHBondContact O-N 3.22Å; F16-S18 VanDerWaalsContact C-N 3.34Å; F16-S18 PolarHBondContact O-N 3.1Å; S18-F20 PolarHBondContact O-N 2.97Å; S18-T21 WeakPolarHBondContact O-CB 3.48Å; S18-T21 PolarHBondContact O-N 3.49Å; S18-A22 PolarHBondContact O-N 3.08Å; S18-V217 VanDerWaalsContact O-CG1 3.24Å; S18-V217 WeakPolarHBondContact O-CG1 3.39Å |
| 19 | L | 96.8 | Very high | 93.2 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.8 | -45.6 | -179.9 | -170.8 | 75.7 | 0 | 0 | 0 | 112.6 | G15 F16 T21 A22 Y23 M76 Y79 V80 L108 A221 | G15-L19 PolarHBondContact O-N 3.11Å; F16-L19 PolarHBondContact O-N 3.3Å; L19-T21 VanDerWaalsContact C-N 3.35Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 2.92Å; L19-Y23 PolarHBondContact O-N 3.26Å; L19-M76 HydrophobicContact CD1-CB 4.13Å; L19-M76 HydrophobicContact CD1-CG 4.38Å; L19-M76 HydrophobicContact CD2-CB 4.29Å; L19-M76 HydrophobicContact CD2-CE 4.45Å; L19-M76 HydrophobicContact CD2-CG 3.85Å; L19-Y79 HydrophobicContact CD2-CD1 4.39Å; L19-Y79 HydrophobicContact CD2-CD2 3.87Å; L19-Y79 HydrophobicContact CD2-CE2 4.43Å; L19-Y79 HydrophobicContact CD2-CG 3.85Å; L19-Y79 HydrophobicContact CG-CG 4.29Å; L19-V80 HydrophobicContact CD1-CG2 4.26Å; L19-L108 HydrophobicContact CD2-CD1 4.05Å; L19-A221 HydrophobicContact CB-CB 4.12Å |
| 20 | F | 93.8 | Very high | 93.1 | Very high | 17 Ų | 17 | 13.8 Ų | 13.8 | 8% | 0.075 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -80.8 | -15.7 | -177.8 | -79.7 | -97.5 | 0 | 0 | 0 | 113.6 | F16 S18 A22 Y23 G24 Y79 L108 W109 F146 S149 | F16-F20 HydrophobicContact CD1-CD2 4.28Å; F16-F20 AromaticContact CD1-CE2 3.88Å; F16-F20 HydrophobicContact CD1-CE2 3.88Å; F16-F20 HydrophobicContact CE1-CE2 4.34Å; F16-F20 WeakPolarHBondContact O-CB 3.37Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; F16-F20 PolarHBondContact O-N 3.29Å; S18-F20 PolarHBondContact O-N 2.97Å; F20-A22 VanDerWaalsContact C-N 3.26Å; F20-Y23 AromaticContact CD1-CD1 3.91Å; F20-Y23 HydrophobicContact CD1-CD1 3.91Å; F20-Y23 AromaticContact CE1-CD1 3.93Å; F20-Y23 HydrophobicContact CE1-CD1 3.93Å; F20-Y23 HydrophobicContact CE1-CE1 4.4Å; F20-G24 WeakPolarHBondContact O-CA 3.38Å; F20-G24 PolarHBondContact O-N 2.92Å; F20-Y79 HydrophobicContact CE1-CE1 4.3Å; F20-Y79 HydrophobicContact CZ-CE1 4.1Å; F20-Y79 AromaticContact CZ-CZ 3.94Å; F20-L108 HydrophobicContact CE2-CD2 4.42Å; F20-W109 AromaticContact CE1-CZ2 3.9Å; F20-W109 HydrophobicContact CE1-CZ2 3.9Å; F20-W109 AromaticContact CE2-CZ2 3.89Å; F20-W109 HydrophobicContact CE2-CZ2 3.89Å; F20-W109 AromaticContact CZ-CE2 3.74Å; F20-W109 HydrophobicContact CZ-CH2 4.39Å; F20-W109 AromaticContact CZ-CZ2 3.35Å; F20-W109 HydrophobicContact CZ-CZ2 3.35Å; F20-W109 AromaticContact CZ-NE1 3.73Å; F20-F146 HydrophobicContact CB-CD2 4.36Å; F20-F146 HydrophobicContact CB-CE2 3.85Å; F20-F146 AromaticContact CD1-CE2 3.73Å; F20-F146 HydrophobicContact CD1-CE2 3.73Å; F20-F146 HydrophobicContact CD1-CZ 4.16Å; F20-F146 HydrophobicContact CD2-CD2 4.12Å; F20-F146 AromaticContact CD2-CE2 3.53Å; F20-F146 HydrophobicContact CD2-CE2 3.53Å; F20-F146 HydrophobicContact CE1-CE2 4.12Å; F20-F146 HydrophobicContact CE1-CZ 4.38Å; F20-F146 AromaticContact CE2-CE2 3.91Å; F20-F146 HydrophobicContact CE2-CE2 3.91Å; F20-F146 HydrophobicContact CG-CD2 4.24Å; F20-F146 AromaticContact CG-CE2 3.42Å; F20-F146 HydrophobicContact CG-CE2 3.42Å; F20-F146 VanDerWaalsContact CG-CE2 3.42Å; F20-F146 HydrophobicContact CG-CZ 4.28Å; F20-F146 HydrophobicContact CZ-CE2 4.2Å; F20-S149 WeakPolarHBondContact CB-OG 3.37Å |
| 21 | T | 94.3 | Very high | 92.6 | Very high | 14 Ų | 14 | 11.5 Ų | 11.5 | 9% | 0.086 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61 | -42.9 | 164.8 | -64.5 | 0 | 0 | 0 | 0 | 109.3 | L17 S18 L19 W152 G153 | L17-T21 WeakPolarHBondContact O-CB 3.25Å; L17-T21 PolarHBondContact O-N 3.29Å; L17-T21 PolarHBondContact O-OG1 3.25Å; S18-T21 WeakPolarHBondContact O-CB 3.48Å; S18-T21 PolarHBondContact O-N 3.49Å; L19-T21 VanDerWaalsContact C-N 3.35Å; T21-W152 HydrophobicContact CG2-CB 3.89Å; T21-G153 WeakPolarHBondContact O-CA 3.46Å |
| 22 | A | 94.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 11.5 Ų | 11.5 | 3% | 0.025 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.8 | -56.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S18 L19 F20 L26 Y214 | S18-A22 PolarHBondContact O-N 3.08Å; L19-A22 WeakPolarHBondContact O-CB 3.48Å; L19-A22 PolarHBondContact O-N 2.92Å; F20-A22 VanDerWaalsContact C-N 3.26Å; A22-L26 VanDerWaalsContact O-CB 3.3Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 3.17Å; A22-Y214 HydrophobicContact CB-CD1 4.13Å; A22-Y214 HydrophobicContact CB-CG 4.11Å; A22-Y214 VanDerWaalsContact CB-O 3.27Å; A22-Y214 WeakPolarHBondContact CB-O 3.26Å |
| 23 | Y | 93.9 | Very high | 91.6 | Very high | 11 Ų | 11 | 12 Ų | 12 | 4% | 0.043 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -66.4 | -44.8 | -174.7 | 174 | -101.8 | 0 | 0 | 0 | 113.3 | L19 F20 G25 L26 Q27 I47 Y79 Y82 L101 | L19-Y23 PolarHBondContact O-N 3.26Å; F20-Y23 AromaticContact CD1-CD1 3.91Å; F20-Y23 HydrophobicContact CD1-CD1 3.91Å; F20-Y23 AromaticContact CE1-CD1 3.93Å; F20-Y23 HydrophobicContact CE1-CD1 3.93Å; F20-Y23 HydrophobicContact CE1-CE1 4.4Å; Y23-G25 PolarHBondContact O-N 3.36Å; Y23-L26 PolarHBondContact O-N 2.97Å; Y23-Q27 HydrophobicContact CE1-CB 4.42Å; Y23-Q27 VanDerWaalsContact O-CB 3.27Å; Y23-Q27 WeakPolarHBondContact O-CB 3.15Å; Y23-Q27 PolarHBondContact O-N 2.83Å; Y23-I47 HydrophobicContact CE2-CD1 4.27Å; Y23-Y79 HydrophobicContact CD1-CD1 4.2Å; Y23-Y79 AromaticContact CD1-CE1 3.78Å; Y23-Y79 HydrophobicContact CD1-CE1 3.78Å; Y23-Y79 AromaticContact CD2-CD1 3.71Å; Y23-Y79 HydrophobicContact CD2-CD1 3.71Å; Y23-Y79 AromaticContact CD2-CE1 3.91Å; Y23-Y79 HydrophobicContact CD2-CE1 3.91Å; Y23-Y79 HydrophobicContact CE1-CE1 4.05Å; Y23-Y79 HydrophobicContact CE2-CD1 4.31Å; Y23-Y79 HydrophobicContact CE2-CE1 4.17Å; Y23-Y79 AromaticContact CG-CD1 3.64Å; Y23-Y79 HydrophobicContact CG-CD1 3.64Å; Y23-Y79 AromaticContact CG-CE1 3.7Å; Y23-Y79 HydrophobicContact CG-CE1 3.7Å; Y23-Y82 HydrophobicContact CD2-CD1 4.39Å; Y23-Y82 HydrophobicContact CE2-CD1 4.41Å; Y23-Y82 HydrophobicContact CE2-CE1 4.45Å; Y23-L101 HydrophobicContact CD2-CD1 3.74Å; Y23-L101 HydrophobicContact CE2-CD1 3.6Å; Y23-L101 HydrophobicContact CE2-CD2 4.18Å |
| 24 | G | 89.1 | Confident | 91.3 | Very high | 14 Ų | 14 | 12.1 Ų | 12.1 | 14% | 0.144 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F20 S28 | F20-G24 WeakPolarHBondContact O-CA 3.38Å; F20-G24 PolarHBondContact O-N 2.92Å; G24-S28 PolarHBondContact O-N 3.29Å; G24-S28 VanDerWaalsContact O-N 3.16Å; G24-S28 PolarHBondContact O-OG 3.44Å |
| 25 | G | 89.6 | Confident | 90.4 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -66.4 | -44.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y23 S28 L29 Y214 | Y23-G25 PolarHBondContact O-N 3.36Å; G25-S28 PolarHBondContact O-N 2.99Å; G25-L29 WeakPolarHBondContact O-CG 3.32Å; G25-L29 PolarHBondContact O-N 2.72Å; G25-Y214 WeakPolarHBondContact CA-OH 3.36Å |
| 26 | L | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 176.2 | -175.9 | 59.6 | 0 | 0 | 0 | 112.1 | A22 Y23 S28 L29 Q30 Y82 N86 L211 Y214 | A22-L26 VanDerWaalsContact O-CB 3.3Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 3.17Å; Y23-L26 PolarHBondContact O-N 2.97Å; L26-S28 PolarHBondContact O-N 3.41Å; L26-L29 PolarHBondContact O-N 3.03Å; L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L26-Q30 PolarHBondContact O-N 3.44Å; L26-Q30 VanDerWaalsContact O-N 3.09Å; L26-Y82 HydrophobicContact CD2-CD1 3.81Å; L26-Y82 HydrophobicContact CD2-CE1 3.79Å; L26-Y82 HydrophobicContact CG-CE1 4.25Å; L26-N86 HydrophobicContact CD1-CB 4.47Å; L26-N86 HydrophobicContact CD2-CB 4.49Å; L26-L211 HydrophobicContact CD1-CD2 3.71Å; L26-Y214 HydrophobicContact CB-CD2 4.05Å; L26-Y214 HydrophobicContact CB-CE2 3.98Å |
| 27 | Q | 91.4 | Very high | 88.6 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 13% | 0.131 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | 178.3 | 174.5 | 174.5 | 9.6 | 0 | 0 | 111.7 | Y23 L29 Q30 L44 Y48 | Y23-Q27 HydrophobicContact CE1-CB 4.42Å; Y23-Q27 VanDerWaalsContact O-CB 3.27Å; Y23-Q27 WeakPolarHBondContact O-CB 3.15Å; Y23-Q27 PolarHBondContact O-N 2.83Å; Q27-L29 PolarHBondContact O-N 3.34Å; Q27-Q30 PolarHBondContact O-N 3.29Å; Q27-L44 HydrophobicContact CG-CD2 3.96Å; Q27-Y48 PolarHBondContact NE2-OH 3.12Å |
| 28 | S | 87.8 | Confident | 87.8 | Confident | 7 Ų | 7 | 22.5 Ų | 22.5 | 5% | 0.049 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.8 | -25.3 | -179.2 | -58.4 | 0 | 0 | 0 | 0 | 112.8 | G24 G25 L26 N154 V298 | G24-S28 PolarHBondContact O-N 3.29Å; G24-S28 VanDerWaalsContact O-N 3.16Å; G24-S28 PolarHBondContact O-OG 3.44Å; G25-S28 PolarHBondContact O-N 2.99Å; L26-S28 PolarHBondContact O-N 3.41Å; S28-N154 WeakPolarHBondContact CB-OD1 3.43Å; S28-N154 PolarHBondContact OG-OD1 3.24Å; S28-V298 WeakPolarHBondContact O-CG1 3.3Å |
| 29 | L | 87.1 | Confident | 87.4 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -91.8 | -20.5 | 178.8 | -70.2 | 171.4 | 0 | 0 | 0 | 113.8 | G25 L26 Q27 S31 S32 L33 F161 L210 I295 V298 | G25-L29 WeakPolarHBondContact O-CG 3.32Å; G25-L29 PolarHBondContact O-N 2.72Å; L26-L29 PolarHBondContact O-N 3.03Å; Q27-L29 PolarHBondContact O-N 3.34Å; L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.3Å; L29-S32 CarbonylContact O-C 3.27Å; L29-S32 PolarHBondContact O-N 3.03Å; L29-L33 HydrophobicContact CB-CB 4.4Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.5Å; L29-L33 PolarHBondContact O-N 3.46Å; L29-F161 HydrophobicContact CD1-CD2 4.44Å; L29-F161 HydrophobicContact CD1-CE2 3.62Å; L29-F161 HydrophobicContact CD1-CZ 4.36Å; L29-F161 HydrophobicContact CD2-CD2 4.33Å; L29-F161 HydrophobicContact CD2-CE2 3.95Å; L29-F161 HydrophobicContact CG-CE2 4.41Å; L29-L210 HydrophobicContact CD1-CD2 3.6Å; L29-I295 HydrophobicContact CD2-CD1 4.22Å; L29-I295 HydrophobicContact CD2-CG1 3.81Å; L29-V298 HydrophobicContact CD2-CB 4.09Å; L29-V298 HydrophobicContact CD2-CG1 4.02Å |
| 30 | Q | 89.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54.2 | -45.6 | -168.6 | -81.2 | -55.1 | -42.9 | 0 | 0 | 114 | L26 Q27 S32 N34 L44 Y82 N86 | L26-Q30 WeakPolarHBondContact O-CG 3.25Å; L26-Q30 PolarHBondContact O-N 3.44Å; L26-Q30 VanDerWaalsContact O-N 3.09Å; Q27-Q30 PolarHBondContact O-N 3.29Å; Q30-S32 PolarHBondContact O-N 3.48Å; Q30-N34 PolarHBondContact O-N 2.87Å; Q30-N34 VanDerWaalsContact O-N 3.07Å; Q30-N34 PolarHBondContact OE1-ND2 3.18Å; Q30-L44 HydrophobicContact CB-CD1 3.92Å; Q30-L44 HydrophobicContact CB-CD2 4.46Å; Q30-L44 HydrophobicContact CB-CG 4.14Å; Q30-L44 HydrophobicContact CG-CD2 4.19Å; Q30-L44 HydrophobicContact CG-CG 4.31Å; Q30-Y82 VanDerWaalsContact CG-OH 3.27Å; Q30-Y82 WeakPolarHBondContact CG-OH 3.49Å; Q30-Y82 PolarHBondContact OE1-OH 2.94Å; Q30-N86 PolarHBondContact NE2-OD1 3.07Å; Q30-N86 PolarHBondContact OE1-OD1 3.4Å |
| 31 | S | 84.1 | Confident | 86.6 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.3 | -26.8 | -179.2 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | L29 A35 S281 G282 T285 K286 | L29-S31 VanDerWaalsContact C-N 3.34Å; L29-S31 PolarHBondContact O-N 3.3Å; S31-A35 WeakPolarHBondContact O-CB 3.15Å; S31-S281 PolarHBondContact OG-O 2.86Å; S31-G282 WeakPolarHBondContact CB-O 3.01Å; S31-G282 PolarHBondContact OG-O 3.31Å; S31-G282 VanDerWaalsContact OG-O 3.08Å; S31-T285 PolarHBondContact OG-OG1 3.08Å; S31-T285 VanDerWaalsContact OG-OG1 3.1Å; S31-K286 WeakPolarHBondContact O-CD 3.3Å |
| 32 | S | 84.3 | Confident | 86.4 | Confident | 16 Ų | 16 | 22.4 Ų | 22.4 | 11% | 0.112 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -96.8 | -43.5 | -178.1 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | L29 Q30 T290 | L29-S32 CarbonylContact O-C 3.27Å; L29-S32 PolarHBondContact O-N 3.03Å; Q30-S32 PolarHBondContact O-N 3.48Å; S32-T290 WeakPolarHBondContact CB-OG1 3.48Å; S32-T290 PolarHBondContact OG-OG1 3.31Å |
| 33 | L | 85 | Confident | 86.4 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 5% | 0.047 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72.5 | -40.7 | -176.4 | -173.7 | 66.6 | 0 | 0 | 0 | 112.3 | L29 F161 I207 I295 | L29-L33 HydrophobicContact CB-CB 4.4Å; L29-L33 VanDerWaalsContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.5Å; L29-L33 PolarHBondContact O-N 3.46Å; L33-F161 HydrophobicContact CD1-CZ 4.2Å; L33-I207 HydrophobicContact CD1-CD1 3.81Å; L33-I207 HydrophobicContact CD1-CG1 4Å; L33-I207 HydrophobicContact CD1-CG2 4.47Å; L33-I207 HydrophobicContact CD2-CG2 4.46Å; L33-I295 HydrophobicContact CB-CD1 4.18Å; L33-I295 HydrophobicContact CD1-CD1 4.23Å |
| 34 | N | 86.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 47.7 | 179.8 | -65.6 | -44.5 | 0 | 0 | 0 | 110.2 | Q30 G40 N86 P89 | Q30-N34 PolarHBondContact O-N 2.87Å; Q30-N34 VanDerWaalsContact O-N 3.07Å; Q30-N34 PolarHBondContact OE1-ND2 3.18Å; N34-G40 PolarHBondContact O-N 3.37Å; N34-N86 PolarHBondContact ND2-OD1 3.41Å; N34-N86 VanDerWaalsContact ND2-OD1 3.17Å; N34-P89 VanDerWaalsContact OD1-CB 3.3Å; N34-P89 WeakPolarHBondContact OD1-CB 3.49Å |
| 35 | A | 77.6 | Confident | 86.4 | Confident | 37 Ų | 37 | 22 Ų | 22 | 31% | 0.306 | 12% | 0.121 | S | C | . | . | trans | -72.8 | -24.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | S31 Q37 G38 | S31-A35 WeakPolarHBondContact O-CB 3.15Å; A35-Q37 PolarHBondContact O-N 2.92Å; A35-G38 PolarHBondContact O-N 3.48Å | ||
| 36 | E | 76.9 | Confident | 86.6 | Confident | 129 Ų | 129 | 23.8 Ų | 23.8 | 60% | 0.603 | 13% | 0.132 | S | C | * | . | G | 310 helix | trans | -56.6 | 127.7 | 178.6 | -73.3 | -177.4 | -179.3 | 0 | 0 | 111 | G38 M39 | E36-G38 PolarHBondContact O-N 3.42Å; E36-M39 HydrophobicContact CB-CE 3.94Å; E36-M39 WeakPolarHBondContact O-CE 3.46Å; E36-M39 WeakPolarHBondContact O-CG 3.48Å; E36-M39 PolarHBondContact O-N 3.5Å; E36-M39 VanDerWaalsContact O-N 3.07Å |
| 37 | Q | 76.6 | Confident | 86.8 | Confident | 153 Ų | 153 | 23.8 Ų | 23.8 | 72% | 0.715 | 13% | 0.132 | S | C | * | . | G | 310 helix | trans | 53.1 | 16.1 | -176.3 | -57.1 | 177.8 | -6.1 | 0 | 0 | 114.6 | A35 M39 W91 | A35-Q37 PolarHBondContact O-N 2.92Å; Q37-M39 VanDerWaalsContact C-N 3.26Å; Q37-M39 PolarHBondContact O-N 3.49Å; Q37-W91 HydrophobicContact CB-CZ2 4.05Å |
| 38 | G | 79 | Confident | 86.8 | Confident | 7 Ų | 7 | 23.5 Ų | 23.5 | 7% | 0.072 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | 67.3 | 20.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | A35 E36 G40 V41 A42 | A35-G38 PolarHBondContact O-N 3.48Å; E36-G38 PolarHBondContact O-N 3.42Å; G38-G40 VanDerWaalsContact C-N 3.28Å; G38-G40 PolarHBondContact O-N 3.43Å; G38-V41 WeakPolarHBondContact O-CG2 3.34Å; G38-V41 PolarHBondContact O-N 3.17Å; G38-A42 WeakPolarHBondContact O-CB 3.46Å; G38-A42 PolarHBondContact O-N 2.98Å |
| 39 | M | 86.4 | Confident | 87.1 | Confident | 20 Ų | 20 | 24.9 Ų | 24.9 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -54.2 | -41.4 | -177.4 | -78.3 | -174.3 | -75.1 | 0 | 0 | 113.5 | E36 Q37 A42 S43 W91 L94 | E36-M39 HydrophobicContact CB-CE 3.94Å; E36-M39 WeakPolarHBondContact O-CE 3.46Å; E36-M39 WeakPolarHBondContact O-CG 3.48Å; E36-M39 PolarHBondContact O-N 3.5Å; E36-M39 VanDerWaalsContact O-N 3.07Å; Q37-M39 VanDerWaalsContact C-N 3.26Å; Q37-M39 PolarHBondContact O-N 3.49Å; M39-A42 PolarHBondContact O-N 3.32Å; M39-S43 WeakPolarHBondContact O-CB 3.31Å; M39-S43 PolarHBondContact O-N 2.7Å; M39-W91 HydrophobicContact CG-CD2 3.91Å; M39-W91 HydrophobicContact CG-CE3 4.46Å; M39-W91 HydrophobicContact CG-CG 4.41Å; M39-W91 HydrophobicContact CG-CH2 4.1Å; M39-W91 HydrophobicContact CG-CZ2 3.48Å; M39-W91 VanDerWaalsContact CG-CZ2 3.48Å; M39-W91 HydrophobicContact SD-CD2 4.33Å; M39-W91 HydrophobicContact SD-CG 4.21Å; M39-L94 HydrophobicContact CB-CD1 4.48Å |
| 40 | G | 86.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N34 G38 S43 L44 | N34-G40 PolarHBondContact O-N 3.37Å; G38-G40 VanDerWaalsContact C-N 3.28Å; G38-G40 PolarHBondContact O-N 3.43Å; G40-S43 PolarHBondContact O-N 3.12Å; G40-S43 PolarHBondContact O-OG 3.03Å; G40-L44 PolarHBondContact O-N 2.75Å; G40-L44 VanDerWaalsContact O-N 3.11Å |
| 41 | V | 87 | Confident | 87.5 | Confident | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.024 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.7 | -34.4 | 178.6 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | G38 S43 L44 S45 F405 T409 | G38-V41 WeakPolarHBondContact O-CG2 3.34Å; G38-V41 PolarHBondContact O-N 3.17Å; V41-S43 VanDerWaalsContact C-N 3.35Å; V41-L44 PolarHBondContact O-N 2.96Å; V41-S45 PolarHBondContact O-N 3.02Å; V41-F405 HydrophobicContact CB-CD1 4.35Å; V41-F405 HydrophobicContact CG1-CD1 4.44Å; V41-T409 HydrophobicContact CG2-CG2 3.8Å |
| 42 | A | 90.5 | Very high | 87.7 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 22% | 0.215 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G38 M39 L44 S45 V46 W91 | G38-A42 WeakPolarHBondContact O-CB 3.46Å; G38-A42 PolarHBondContact O-N 2.98Å; M39-A42 PolarHBondContact O-N 3.32Å; A42-L44 PolarHBondContact O-N 3.45Å; A42-S45 WeakPolarHBondContact O-CB 3.2Å; A42-S45 PolarHBondContact O-N 3.12Å; A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.12Å; A42-W91 HydrophobicContact CB-CH2 4.06Å; A42-W91 HydrophobicContact CB-CZ3 3.9Å |
| 43 | S | 93.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -44.3 | 176.4 | 84.7 | 0 | 0 | 0 | 0 | 111.8 | M39 G40 V41 V46 I47 Y82 S98 | M39-S43 WeakPolarHBondContact O-CB 3.31Å; M39-S43 PolarHBondContact O-N 2.7Å; G40-S43 PolarHBondContact O-N 3.12Å; G40-S43 PolarHBondContact O-OG 3.03Å; V41-S43 VanDerWaalsContact C-N 3.35Å; S43-V46 PolarHBondContact O-N 2.95Å; S43-I47 WeakPolarHBondContact O-CG1 3.42Å; S43-I47 PolarHBondContact O-N 3.5Å; S43-Y82 PolarHBondContact OG-OH 2.84Å; S43-S98 WeakPolarHBondContact CB-OG 3.42Å; S43-S98 WeakPolarHBondContact O-CB 3.43Å; S43-S98 PolarHBondContact O-OG 2.87Å |
| 44 | L | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.7 | -68 | 175.7 | 0 | 0 | 0 | 111.5 | Q27 Q30 G40 V41 A42 V46 I47 Y48 F405 | Q27-L44 HydrophobicContact CG-CD2 3.96Å; Q30-L44 HydrophobicContact CB-CD1 3.92Å; Q30-L44 HydrophobicContact CB-CD2 4.46Å; Q30-L44 HydrophobicContact CB-CG 4.14Å; Q30-L44 HydrophobicContact CG-CD2 4.19Å; Q30-L44 HydrophobicContact CG-CG 4.31Å; G40-L44 PolarHBondContact O-N 2.75Å; G40-L44 VanDerWaalsContact O-N 3.11Å; V41-L44 PolarHBondContact O-N 2.96Å; A42-L44 PolarHBondContact O-N 3.45Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.21Å; L44-I47 HydrophobicContact CD2-CD1 4.31Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 PolarHBondContact O-N 3.17Å; L44-Y48 WeakPolarHBondContact O-CD2 3.46Å; L44-Y48 PolarHBondContact O-N 3.27Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; L44-F405 HydrophobicContact CB-CD2 3.85Å; L44-F405 HydrophobicContact CB-CE1 4.49Å; L44-F405 HydrophobicContact CB-CE2 3.71Å; L44-F405 HydrophobicContact CB-CG 4.32Å; L44-F405 HydrophobicContact CB-CZ 4.06Å; L44-F405 HydrophobicContact CD1-CE1 4Å; L44-F405 HydrophobicContact CD1-CE2 4.31Å; L44-F405 HydrophobicContact CD1-CZ 3.8Å |
| 45 | S | 92.3 | Very high | 87.9 | Confident | 19 Ų | 19 | 30.4 Ų | 30.4 | 13% | 0.133 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -44.7 | 175.6 | -169.5 | 0 | 0 | 0 | 0 | 112 | V41 A42 I47 Y48 A49 | V41-S45 PolarHBondContact O-N 3.02Å; A42-S45 WeakPolarHBondContact O-CB 3.2Å; A42-S45 PolarHBondContact O-N 3.12Å; S45-I47 PolarHBondContact O-N 2.85Å; S45-Y48 PolarHBondContact O-N 3.11Å; S45-A49 WeakPolarHBondContact O-CB 3.15Å; S45-A49 PolarHBondContact O-N 2.9Å |
| 46 | V | 94.7 | Very high | 87.8 | Confident | 37 Ų | 37 | 30.6 Ų | 30.6 | 22% | 0.224 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 112.2 | A42 S43 L44 A49 A50 I95 F99 | A42-V46 WeakPolarHBondContact O-CG2 3.4Å; A42-V46 PolarHBondContact O-N 3.12Å; S43-V46 PolarHBondContact O-N 2.95Å; L44-V46 VanDerWaalsContact C-N 3.32Å; L44-V46 PolarHBondContact O-N 3.21Å; V46-A49 PolarHBondContact O-N 3.39Å; V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 2.88Å; V46-I95 HydrophobicContact CG1-CG2 4.36Å; V46-I95 HydrophobicContact CG2-CD1 4.07Å; V46-I95 HydrophobicContact CG2-CG2 4.3Å; V46-F99 HydrophobicContact CG1-CB 4.01Å; V46-F99 HydrophobicContact CG1-CD2 4.46Å |
| 47 | I | 94.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.3 | -55.7 | 173.3 | -72.5 | 171 | 0 | 0 | 0 | 110.1 | Y23 S43 L44 S45 A49 A50 I51 Y82 S98 L101 G102 | Y23-I47 HydrophobicContact CE2-CD1 4.27Å; S43-I47 WeakPolarHBondContact O-CG1 3.42Å; S43-I47 PolarHBondContact O-N 3.5Å; L44-I47 HydrophobicContact CD2-CD1 4.31Å; L44-I47 WeakPolarHBondContact O-CB 3.35Å; L44-I47 PolarHBondContact O-N 3.17Å; S45-I47 PolarHBondContact O-N 2.85Å; I47-A49 PolarHBondContact O-N 2.88Å; I47-A50 PolarHBondContact O-N 3.35Å; I47-I51 HydrophobicContact CG2-CD1 3.89Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 3.03Å; I47-Y82 HydrophobicContact CD1-CD1 4.37Å; I47-Y82 HydrophobicContact CD1-CD2 4.23Å; I47-Y82 HydrophobicContact CD1-CE1 4.05Å; I47-Y82 HydrophobicContact CD1-CE2 3.91Å; I47-Y82 HydrophobicContact CD1-CG 4.44Å; I47-S98 WeakPolarHBondContact CG1-O 3.25Å; I47-L101 HydrophobicContact CB-CD2 4.25Å; I47-L101 HydrophobicContact CD1-CD1 4.22Å; I47-L101 HydrophobicContact CD1-CD2 3.96Å; I47-L101 HydrophobicContact CG1-CD2 3.93Å; I47-L101 HydrophobicContact CG2-CD2 3.38Å; I47-G102 WeakPolarHBondContact O-CA 3.41Å |
| 48 | Y | 92.4 | Very high | 88.2 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 9% | 0.086 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.6 | -33.4 | -174.6 | -70.8 | -75 | 0 | 0 | 0 | 112.5 | Q27 L44 S45 A50 I51 I52 F401 F405 | Q27-Y48 PolarHBondContact NE2-OH 3.12Å; L44-Y48 WeakPolarHBondContact O-CD2 3.46Å; L44-Y48 PolarHBondContact O-N 3.27Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; S45-Y48 PolarHBondContact O-N 3.11Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.41Å; Y48-I51 HydrophobicContact CD1-CD1 3.95Å; Y48-I51 HydrophobicContact CE1-CD1 4.28Å; Y48-I51 WeakPolarHBondContact O-CB 3.33Å; Y48-I51 PolarHBondContact O-N 3.48Å; Y48-I52 WeakPolarHBondContact O-CG1 3.42Å; Y48-I52 PolarHBondContact O-N 3.45Å; Y48-F401 HydrophobicContact CD1-CB 3.92Å; Y48-F401 AromaticContact CD1-CD2 3.8Å; Y48-F401 HydrophobicContact CD1-CD2 3.8Å; Y48-F401 HydrophobicContact CD1-CE2 4.43Å; Y48-F401 AromaticContact CD1-CG 3.88Å; Y48-F401 HydrophobicContact CD1-CG 3.88Å; Y48-F401 HydrophobicContact CD2-CB 3.66Å; Y48-F401 HydrophobicContact CD2-CD1 4.1Å; Y48-F401 AromaticContact CD2-CG 3.93Å; Y48-F401 HydrophobicContact CD2-CG 3.93Å; Y48-F401 HydrophobicContact CE1-CB 4.34Å; Y48-F401 HydrophobicContact CE1-CD1 4.18Å; Y48-F401 AromaticContact CE1-CD2 3.62Å; Y48-F401 HydrophobicContact CE1-CD2 3.62Å; Y48-F401 HydrophobicContact CE1-CE1 4.36Å; Y48-F401 AromaticContact CE1-CE2 3.82Å; Y48-F401 HydrophobicContact CE1-CE2 3.82Å; Y48-F401 AromaticContact CE1-CG 3.81Å; Y48-F401 HydrophobicContact CE1-CG 3.81Å; Y48-F401 HydrophobicContact CE1-CZ 4.17Å; Y48-F401 HydrophobicContact CE2-CB 4.15Å; Y48-F401 AromaticContact CE2-CD1 3.7Å; Y48-F401 HydrophobicContact CE2-CD1 3.7Å; Y48-F401 HydrophobicContact CE2-CE1 4.16Å; Y48-F401 AromaticContact CE2-CG 3.91Å; Y48-F401 HydrophobicContact CE2-CG 3.91Å; Y48-F401 HydrophobicContact CG-CB 3.55Å; Y48-F401 HydrophobicContact CG-CD2 4.32Å; Y48-F401 AromaticContact CG-CG 3.93Å; Y48-F401 HydrophobicContact CG-CG 3.93Å; Y48-F401 AromaticContact CZ-CD1 3.72Å; Y48-F401 AromaticContact CZ-CE1 3.81Å; Y48-F401 AromaticContact CZ-CG 3.82Å; Y48-F401 AromaticContact CZ-CZ 3.98Å; Y48-F405 HydrophobicContact CD2-CD2 4.21Å; Y48-F405 AromaticContact CD2-CE2 3.82Å; Y48-F405 HydrophobicContact CD2-CE2 3.82Å; Y48-F405 AromaticContact CE2-CE2 3.76Å; Y48-F405 HydrophobicContact CE2-CE2 3.76Å |
| 49 | A | 93.4 | Very high | 88.4 | Confident | 36 Ų | 36 | 22.8 Ų | 22.8 | 30% | 0.298 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | S45 V46 I47 I52 I53 V402 | S45-A49 WeakPolarHBondContact O-CB 3.15Å; S45-A49 PolarHBondContact O-N 2.9Å; V46-A49 PolarHBondContact O-N 3.39Å; I47-A49 PolarHBondContact O-N 2.88Å; A49-I52 WeakPolarHBondContact O-CB 3.47Å; A49-I52 PolarHBondContact O-N 3.32Å; A49-I53 PolarHBondContact O-N 2.65Å; A49-V402 HydrophobicContact CB-CG2 3.98Å; A49-V402 VanDerWaalsContact N-CG2 3.29Å |
| 50 | A | 94.1 | Very high | 88 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.6 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V46 I47 Y48 I53 S54 F99 | V46-A50 VanDerWaalsContact O-CB 3.31Å; V46-A50 WeakPolarHBondContact O-CB 3.45Å; V46-A50 PolarHBondContact O-N 2.88Å; I47-A50 PolarHBondContact O-N 3.35Å; Y48-A50 VanDerWaalsContact C-N 3.34Å; Y48-A50 PolarHBondContact O-N 3.41Å; A50-I53 PolarHBondContact O-N 3.47Å; A50-S54 WeakPolarHBondContact O-CB 3.23Å; A50-S54 PolarHBondContact O-N 2.91Å; A50-F99 HydrophobicContact CB-CD2 3.65Å; A50-F99 HydrophobicContact CB-CE2 3.98Å; A50-F99 HydrophobicContact CB-CG 4.32Å |
| 51 | I | 90.4 | Very high | 87.7 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -42 | 172 | -71.2 | 171.6 | 0 | 0 | 0 | 111 | I47 Y48 S54 S55 G102 S398 | I47-I51 HydrophobicContact CG2-CD1 3.89Å; I47-I51 HydrophobicContact CG2-CG1 4.49Å; I47-I51 WeakPolarHBondContact O-CG1 3.47Å; I47-I51 PolarHBondContact O-N 3.03Å; Y48-I51 HydrophobicContact CD1-CD1 3.95Å; Y48-I51 HydrophobicContact CE1-CD1 4.28Å; Y48-I51 WeakPolarHBondContact O-CB 3.33Å; Y48-I51 PolarHBondContact O-N 3.48Å; I51-S54 PolarHBondContact O-N 2.91Å; I51-S55 VanDerWaalsContact O-CB 3.26Å; I51-S55 WeakPolarHBondContact O-CB 3.42Å; I51-S55 PolarHBondContact O-N 3.13Å; I51-S55 PolarHBondContact O-OG 3.41Å; I51-G102 WeakPolarHBondContact CG1-O 3.39Å; I51-S398 WeakPolarHBondContact CG2-OG 3.3Å |
| 52 | I | 88.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 27.7 Ų | 27.7 | 16% | 0.159 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.2 | -55.1 | 175.9 | -67.6 | 166.7 | 0 | 0 | 0 | 109.4 | Y48 A49 S54 S55 M56 M395 L399 V402 | Y48-I52 WeakPolarHBondContact O-CG1 3.42Å; Y48-I52 PolarHBondContact O-N 3.45Å; A49-I52 WeakPolarHBondContact O-CB 3.47Å; A49-I52 PolarHBondContact O-N 3.32Å; I52-S54 VanDerWaalsContact C-N 3.29Å; I52-S54 PolarHBondContact O-N 3.27Å; I52-S55 PolarHBondContact O-N 3.34Å; I52-S55 PolarHBondContact O-OG 2.92Å; I52-M56 WeakPolarHBondContact O-CG 3.48Å; I52-M395 HydrophobicContact CG2-CG 4.15Å; I52-L399 HydrophobicContact CD1-CB 4.19Å; I52-L399 HydrophobicContact CD1-CD1 4.22Å; I52-V402 HydrophobicContact CD1-CG2 4.01Å |
| 53 | I | 88.1 | Confident | 87.3 | Confident | 86 Ų | 86 | 27.7 Ų | 27.7 | 44% | 0.441 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.8 | -44.9 | 179 | -61.5 | 169.6 | 0 | 0 | 0 | 110.3 | A49 A50 M56 F57 | A49-I53 PolarHBondContact O-N 2.65Å; A50-I53 PolarHBondContact O-N 3.47Å; I53-M56 PolarHBondContact O-N 3.48Å; I53-F57 HydrophobicContact CG2-CD2 4.44Å; I53-F57 HydrophobicContact CG2-CE2 4.36Å; I53-F57 WeakPolarHBondContact O-CD2 3.49Å |
| 54 | S | 89.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | -178.3 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | A50 I51 I52 M56 F57 L58 P59 L103 P107 | A50-S54 WeakPolarHBondContact O-CB 3.23Å; A50-S54 PolarHBondContact O-N 2.91Å; I51-S54 PolarHBondContact O-N 2.91Å; I52-S54 VanDerWaalsContact C-N 3.29Å; I52-S54 PolarHBondContact O-N 3.27Å; S54-M56 PolarHBondContact O-N 3.01Å; S54-F57 PolarHBondContact O-N 3.41Å; S54-L58 PolarHBondContact O-N 3.12Å; S54-L58 WeakPolarHBondContact OG-CD1 3.46Å; S54-P59 WeakPolarHBondContact O-CD 3.27Å; S54-L103 PolarHBondContact OG-O 3.39Å; S54-P107 VanDerWaalsContact OG-CD 3.29Å; S54-P107 WeakPolarHBondContact OG-CD 3.42Å |
| 55 | S | 82.3 | Confident | 86 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -24.3 | -176.4 | 70.2 | 0 | 0 | 0 | 0 | 114.1 | I51 I52 S106 | I51-S55 VanDerWaalsContact O-CB 3.26Å; I51-S55 WeakPolarHBondContact O-CB 3.42Å; I51-S55 PolarHBondContact O-N 3.13Å; I51-S55 PolarHBondContact O-OG 3.41Å; I52-S55 PolarHBondContact O-N 3.34Å; I52-S55 PolarHBondContact O-OG 2.92Å; S55-S106 WeakPolarHBondContact CA-OG 3.14Å; S55-S106 VanDerWaalsContact CB-OG 3.27Å; S55-S106 WeakPolarHBondContact CB-OG 3.44Å |
| 56 | M | 77.1 | Confident | 85.6 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 20% | 0.202 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.8 | -29.5 | 179.1 | -62.7 | 171.1 | 62.7 | 0 | 0 | 113.4 | I52 I53 S54 F251 F255 | I52-M56 WeakPolarHBondContact O-CG 3.48Å; I53-M56 PolarHBondContact O-N 3.48Å; S54-M56 PolarHBondContact O-N 3.01Å; M56-F251 HydrophobicContact CE-CE2 3.96Å; M56-F251 HydrophobicContact CE-CZ 4.49Å; M56-F255 HydrophobicContact CE-CE2 3.64Å; M56-F255 HydrophobicContact CE-CZ 3.43Å; M56-F255 VanDerWaalsContact CE-CZ 3.43Å |
| 57 | F | 78.4 | Confident | 85.2 | Confident | 70 Ų | 70 | 35.6 Ų | 35.6 | 31% | 0.307 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -132.5 | -43.7 | -165.7 | -47.7 | -70.6 | 0 | 0 | 0 | 114.3 | I53 S54 P60 I61 F247 F251 | I53-F57 HydrophobicContact CG2-CD2 4.44Å; I53-F57 HydrophobicContact CG2-CE2 4.36Å; I53-F57 WeakPolarHBondContact O-CD2 3.49Å; S54-F57 PolarHBondContact O-N 3.41Å; F57-P60 WeakPolarHBondContact O-CD 3.43Å; F57-I61 HydrophobicContact CB-CD1 4.47Å; F57-I61 VanDerWaalsContact O-CD1 3.25Å; F57-I61 WeakPolarHBondContact O-CD1 3.49Å; F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; F57-F247 HydrophobicContact CB-CZ 4.16Å; F57-F247 AromaticContact CD1-CZ 3.98Å; F57-F247 HydrophobicContact CD1-CZ 3.98Å; F57-F251 AromaticContact CD1-CD2 3.93Å; F57-F251 HydrophobicContact CD1-CD2 3.93Å; F57-F251 AromaticContact CD1-CE2 3.96Å; F57-F251 HydrophobicContact CD1-CE2 3.96Å; F57-F251 AromaticContact CE1-CD2 3.66Å; F57-F251 HydrophobicContact CE1-CD2 3.66Å; F57-F251 AromaticContact CE1-CE2 3.21Å; F57-F251 HydrophobicContact CE1-CE2 3.21Å; F57-F251 HydrophobicContact CE1-CZ 4.01Å; F57-F251 AromaticContact CZ-CE2 3.88Å; F57-F251 HydrophobicContact CZ-CE2 3.88Å |
| 58 | L | 83 | Confident | 84.9 | Confident | 48 Ų | 48 | 35.7 Ų | 35.7 | 25% | 0.251 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -74.3 | -37.8 | -165.9 | -79.3 | 164.9 | 0 | 0 | 0 | 114.2 | S54 I61 M62 L103 P107 | S54-L58 PolarHBondContact O-N 3.12Å; S54-L58 WeakPolarHBondContact OG-CD1 3.46Å; L58-I61 PolarHBondContact O-N 2.96Å; L58-M62 HydrophobicContact CB-SD 4.34Å; L58-M62 HydrophobicContact CD2-CG 4.35Å; L58-M62 HydrophobicContact CD2-SD 4.2Å; L58-M62 WeakPolarHBondContact O-CB 3.45Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.46Å; L58-L103 HydrophobicContact CD1-CB 4.07Å; L58-L103 HydrophobicContact CD1-CD2 3.81Å; L58-L103 HydrophobicContact CD1-CG 4.44Å; L58-P107 HydrophobicContact CB-CG 3.55Å |
| 59 | P | 83.1 | Confident | 85 | Confident | 8 Ų | 8 | 35.8 Ų | 35.8 | 5% | 0.052 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -50.2 | -178 | -19.9 | 26.3 | 0 | 0 | 0 | 114 | S54 I61 M62 I63 P107 S110 | S54-P59 WeakPolarHBondContact O-CD 3.27Å; P59-I61 VanDerWaalsContact C-N 3.34Å; P59-I61 PolarHBondContact O-N 3Å; P59-M62 PolarHBondContact O-N 3.34Å; P59-I63 HydrophobicContact CB-CD1 4.42Å; P59-I63 VanDerWaalsContact O-CB 3.29Å; P59-I63 WeakPolarHBondContact O-CB 3.28Å; P59-I63 WeakPolarHBondContact O-CD1 3.16Å; P59-I63 WeakPolarHBondContact O-CG1 3.47Å; P59-I63 PolarHBondContact O-N 2.93Å; P59-P107 HydrophobicContact CG-CG 4.28Å; P59-S110 WeakPolarHBondContact CB-OG 3.28Å |
| 60 | P | 77.3 | Confident | 85 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 23% | 0.234 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -39.7 | 177 | -22.5 | 34.4 | 0 | 0 | 0 | 112.8 | F57 K64 T250 | F57-P60 WeakPolarHBondContact O-CD 3.43Å; P60-K64 VanDerWaalsContact O-CB 3.24Å; P60-K64 WeakPolarHBondContact O-CB 3.08Å; P60-K64 VanDerWaalsContact O-CG 3.22Å; P60-K64 WeakPolarHBondContact O-CG 3.21Å; P60-K64 PolarHBondContact O-N 3.35Å; P60-K64 VanDerWaalsContact O-N 3.12Å; P60-T250 HydrophobicContact CG-CG2 4.35Å |
| 61 | I | 81.8 | Confident | 85 | Confident | 67 Ų | 67 | 39.8 Ų | 39.8 | 34% | 0.344 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.5 | -49.8 | -179.6 | -66.5 | 170.1 | 0 | 0 | 0 | 110.4 | F57 L58 P59 N65 F247 | F57-I61 HydrophobicContact CB-CD1 4.47Å; F57-I61 VanDerWaalsContact O-CD1 3.25Å; F57-I61 WeakPolarHBondContact O-CD1 3.49Å; F57-I61 VanDerWaalsContact O-CG1 3.26Å; F57-I61 WeakPolarHBondContact O-CG1 3.25Å; L58-I61 PolarHBondContact O-N 2.96Å; P59-I61 VanDerWaalsContact C-N 3.34Å; P59-I61 PolarHBondContact O-N 3Å; I61-N65 VanDerWaalsContact O-CB 3.23Å; I61-N65 WeakPolarHBondContact O-CB 3.36Å; I61-N65 VanDerWaalsContact O-CG 3.27Å; I61-N65 PolarHBondContact O-N 3.31Å; I61-N65 VanDerWaalsContact O-N 3.12Å; I61-N65 PolarHBondContact O-ND2 3.37Å; I61-F247 HydrophobicContact CD1-CD2 4.35Å; I61-F247 HydrophobicContact CD1-CE2 3.62Å; I61-F247 HydrophobicContact CD1-CZ 3.88Å; I61-F247 HydrophobicContact CG1-CD2 3.94Å; I61-F247 HydrophobicContact CG1-CE2 3.54Å; I61-F247 HydrophobicContact CG1-CZ 4.32Å |
| 62 | M | 85.6 | Confident | 85.2 | Confident | 24 Ų | 24 | 38.9 Ų | 38.9 | 12% | 0.118 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.7 | -46.1 | -175.8 | -68.4 | -177.8 | 71.5 | 0 | 0 | 111.5 | L58 P59 K64 N65 L66 T71 V74 P107 | L58-M62 HydrophobicContact CB-SD 4.34Å; L58-M62 HydrophobicContact CD2-CG 4.35Å; L58-M62 HydrophobicContact CD2-SD 4.2Å; L58-M62 WeakPolarHBondContact O-CB 3.45Å; L58-M62 WeakPolarHBondContact O-CG 3.35Å; L58-M62 PolarHBondContact O-N 3.46Å; P59-M62 PolarHBondContact O-N 3.34Å; M62-K64 PolarHBondContact O-N 3.01Å; M62-N65 PolarHBondContact O-N 3.44Å; M62-L66 HydrophobicContact CB-CD1 4.41Å; M62-L66 HydrophobicContact CE-CD1 4.12Å; M62-L66 VanDerWaalsContact O-CB 3.29Å; M62-L66 WeakPolarHBondContact O-CB 3.39Å; M62-L66 PolarHBondContact O-N 2.84Å; M62-T71 VanDerWaalsContact C-OG1 3.24Å; M62-T71 HydrophobicContact CB-CG2 3.73Å; M62-T71 HydrophobicContact CE-CG2 4.2Å; M62-T71 PolarHBondContact O-OG1 3.36Å; M62-T71 VanDerWaalsContact O-OG1 3.13Å; M62-V74 HydrophobicContact CE-CB 3.95Å; M62-V74 HydrophobicContact CE-CG1 3.59Å; M62-P107 HydrophobicContact CB-CB 4.35Å; M62-P107 HydrophobicContact CE-CB 4.35Å; M62-P107 HydrophobicContact CG-CB 4.47Å; M62-P107 HydrophobicContact SD-CB 3.52Å; M62-P107 VanDerWaalsContact SD-CB 3.52Å; M62-P107 HydrophobicContact SD-CG 3.51Å; M62-P107 VanDerWaalsContact SD-CG 3.51Å |
| 63 | I | 82.1 | Confident | 85.6 | Confident | 25 Ų | 25 | 38.2 Ų | 38.2 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | -178.6 | -64.7 | 167.5 | 0 | 0 | 0 | 110.5 | P59 N65 G67 T71 A111 | P59-I63 HydrophobicContact CB-CD1 4.42Å; P59-I63 VanDerWaalsContact O-CB 3.29Å; P59-I63 WeakPolarHBondContact O-CB 3.28Å; P59-I63 WeakPolarHBondContact O-CD1 3.16Å; P59-I63 WeakPolarHBondContact O-CG1 3.47Å; P59-I63 PolarHBondContact O-N 2.93Å; I63-N65 VanDerWaalsContact C-N 3.35Å; I63-N65 PolarHBondContact O-N 2.96Å; I63-G67 WeakPolarHBondContact O-CA 3.37Å; I63-G67 PolarHBondContact O-N 2.95Å; I63-T71 HydrophobicContact CG1-CG2 4.11Å; I63-T71 PolarHBondContact N-OG1 3.23Å; I63-A111 HydrophobicContact CD1-CB 4.1Å; I63-A111 HydrophobicContact CG1-CB 3.91Å |
| 64 | K | 76.8 | Confident | 86 | Confident | 69 Ų | 69 | 37 Ų | 37 | 30% | 0.3 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70.4 | -28.5 | -179.6 | -67.6 | -177.2 | 179.1 | -170 | 0 | 113.5 | P60 M62 T237 | P60-K64 VanDerWaalsContact O-CB 3.24Å; P60-K64 WeakPolarHBondContact O-CB 3.08Å; P60-K64 VanDerWaalsContact O-CG 3.22Å; P60-K64 WeakPolarHBondContact O-CG 3.21Å; P60-K64 PolarHBondContact O-N 3.35Å; P60-K64 VanDerWaalsContact O-N 3.12Å; M62-K64 PolarHBondContact O-N 3.01Å; K64-T237 VanDerWaalsContact O-CG2 3.31Å; K64-T237 WeakPolarHBondContact O-CG2 3.35Å |
| 65 | N | 80.6 | Confident | 86.3 | Confident | 82 Ų | 82 | 37 Ų | 37 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -91.2 | -41.9 | -178.9 | -72.4 | -17.2 | 0 | 0 | 0 | 113.2 | I61 M62 I63 R241 | I61-N65 VanDerWaalsContact O-CB 3.23Å; I61-N65 WeakPolarHBondContact O-CB 3.36Å; I61-N65 VanDerWaalsContact O-CG 3.27Å; I61-N65 PolarHBondContact O-N 3.31Å; I61-N65 VanDerWaalsContact O-N 3.12Å; I61-N65 PolarHBondContact O-ND2 3.37Å; M62-N65 PolarHBondContact O-N 3.44Å; I63-N65 VanDerWaalsContact C-N 3.35Å; I63-N65 PolarHBondContact O-N 2.96Å; N65-R241 PolarHBondContact O-NE 3.23Å; N65-R241 PolarHBondContact O-NH2 3.24Å |
| 66 | L | 85.1 | Confident | 87.1 | Confident | 72 Ų | 72 | 36.5 Ų | 36.5 | 38% | 0.377 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -101.2 | -18.5 | -172.5 | -59.5 | 172.7 | 0 | 0 | 0 | 112.9 | M62 W70 V74 | M62-L66 HydrophobicContact CB-CD1 4.41Å; M62-L66 HydrophobicContact CE-CD1 4.12Å; M62-L66 VanDerWaalsContact O-CB 3.29Å; M62-L66 WeakPolarHBondContact O-CB 3.39Å; M62-L66 PolarHBondContact O-N 2.84Å; L66-W70 HydrophobicContact CB-CB 4.09Å; L66-V74 HydrophobicContact CD1-CG2 4.38Å |
| 67 | G | 86.2 | Confident | 88 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | 78.2 | 168.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I63 T71 D233 | I63-G67 WeakPolarHBondContact O-CA 3.37Å; I63-G67 PolarHBondContact O-N 2.95Å; G67-T71 VanDerWaalsContact O-CB 3.29Å; G67-T71 WeakPolarHBondContact O-CB 3.23Å; G67-T71 PolarHBondContact O-N 3.5Å; G67-T71 VanDerWaalsContact O-N 3.1Å; G67-T71 PolarHBondContact O-OG1 3.5Å; G67-D233 VanDerWaalsContact CA-OD2 3.23Å; G67-D233 WeakPolarHBondContact CA-OD2 3.25Å |
| 68 | C | 88 | Confident | 88.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | -175.6 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | W70 T71 I72 Y115 D233 | C68-W70 PolarHBondContact O-N 3.43Å; C68-T71 PolarHBondContact O-N 3.03Å; C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.42Å; C68-I72 PolarHBondContact O-N 3.03Å; C68-Y115 HydrophobicContact CB-CD2 3.8Å; C68-D233 PolarHBondContact N-OD1 2.97Å; C68-D233 PolarHBondContact N-OD2 2.79Å; C68-D233 PolarHBondContact SG-OD2 3.32Å |
| 69 | K | 92.8 | Very high | 89.6 | Confident | 25 Ų | 25 | 32.5 Ų | 32.5 | 11% | 0.109 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.7 | -54.8 | -178.4 | 175.1 | 179.4 | 178.5 | 170.4 | 0 | 111.8 | I72 V73 I225 S226 L229 N231 | K69-I72 PolarHBondContact O-N 3.29Å; K69-V73 WeakPolarHBondContact O-CG2 3.4Å; K69-V73 PolarHBondContact O-N 2.84Å; K69-V73 VanDerWaalsContact O-N 3.12Å; K69-I225 WeakPolarHBondContact CE-O 3.05Å; K69-S226 WeakPolarHBondContact CE-O 3.37Å; K69-S226 PolarHBondContact NZ-O 2.92Å; K69-L229 HydrophobicContact CB-CD2 4.39Å; K69-L229 VanDerWaalsContact CD-O 3.25Å; K69-L229 WeakPolarHBondContact CD-O 3.37Å; K69-L229 WeakPolarHBondContact CE-O 3.44Å; K69-L229 HydrophobicContact CG-CB 4.48Å; K69-L229 HydrophobicContact CG-CD2 4.26Å; K69-L229 PolarHBondContact NZ-O 3.18Å; K69-N231 HydrophobicContact CD-CB 4.26Å |
| 70 | W | 93.8 | Very high | 90.2 | Very high | 121 Ų | 121 | 32.6 Ų | 32.6 | 46% | 0.458 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.6 | -29 | -175.4 | -68.5 | 112 | 0 | 0 | 0 | 112.8 | L66 C68 I72 V73 V74 | L66-W70 HydrophobicContact CB-CB 4.09Å; C68-W70 PolarHBondContact O-N 3.43Å; W70-I72 VanDerWaalsContact C-N 3.32Å; W70-I72 PolarHBondContact O-N 3.18Å; W70-V73 HydrophobicContact CE3-CB 4.14Å; W70-V73 HydrophobicContact CE3-CG1 4.13Å; W70-V73 HydrophobicContact CE3-CG2 4.25Å; W70-V73 HydrophobicContact CZ3-CG1 4.27Å; W70-V73 PolarHBondContact O-N 3.43Å; W70-V74 WeakPolarHBondContact O-CG2 3.47Å; W70-V74 PolarHBondContact O-N 3.45Å |
| 71 | T | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 170.2 | -60 | 0 | 0 | 0 | 0 | 111.3 | M62 I63 G67 C68 G75 P107 A111 | M62-T71 VanDerWaalsContact C-OG1 3.24Å; M62-T71 HydrophobicContact CB-CG2 3.73Å; M62-T71 HydrophobicContact CE-CG2 4.2Å; M62-T71 PolarHBondContact O-OG1 3.36Å; M62-T71 VanDerWaalsContact O-OG1 3.13Å; I63-T71 HydrophobicContact CG1-CG2 4.11Å; I63-T71 PolarHBondContact N-OG1 3.23Å; G67-T71 VanDerWaalsContact O-CB 3.29Å; G67-T71 WeakPolarHBondContact O-CB 3.23Å; G67-T71 PolarHBondContact O-N 3.5Å; G67-T71 VanDerWaalsContact O-N 3.1Å; G67-T71 PolarHBondContact O-OG1 3.5Å; C68-T71 PolarHBondContact O-N 3.03Å; T71-G75 PolarHBondContact O-N 3.01Å; T71-P107 HydrophobicContact CG2-CB 3.72Å; T71-A111 HydrophobicContact CG2-CB 3.66Å |
| 72 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 174 | -66.1 | 165.3 | 0 | 0 | 0 | 110 | F16 C68 K69 W70 V74 G75 M76 A111 K112 I225 L229 | F16-I72 HydrophobicContact CE2-CG2 3.87Å; C68-I72 VanDerWaalsContact O-CG1 3.3Å; C68-I72 WeakPolarHBondContact O-CG1 3.42Å; C68-I72 PolarHBondContact O-N 3.03Å; K69-I72 PolarHBondContact O-N 3.29Å; W70-I72 VanDerWaalsContact C-N 3.32Å; W70-I72 PolarHBondContact O-N 3.18Å; I72-V74 PolarHBondContact O-N 2.98Å; I72-G75 PolarHBondContact O-N 2.92Å; I72-M76 HydrophobicContact CG2-CE 3.84Å; I72-M76 HydrophobicContact CG2-CG 4.21Å; I72-M76 HydrophobicContact CG2-SD 4.32Å; I72-M76 VanDerWaalsContact O-CG 3.3Å; I72-M76 WeakPolarHBondContact O-CG 3.43Å; I72-M76 PolarHBondContact O-N 3.45Å; I72-A111 HydrophobicContact CG1-CB 3.83Å; I72-K112 HydrophobicContact CD1-CB 4.18Å; I72-K112 HydrophobicContact CG1-CB 4.49Å; I72-I225 HydrophobicContact CB-CG2 4.48Å; I72-I225 HydrophobicContact CG2-CG1 4.46Å; I72-I225 HydrophobicContact CG2-CG2 4Å; I72-L229 HydrophobicContact CD1-CD2 4.36Å |
| 73 | V | 97.1 | Very high | 92.2 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | -179.7 | 170.9 | 0 | 0 | 0 | 0 | 112.2 | K69 W70 G75 M76 A77 I222 I225 | K69-V73 WeakPolarHBondContact O-CG2 3.4Å; K69-V73 PolarHBondContact O-N 2.84Å; K69-V73 VanDerWaalsContact O-N 3.12Å; W70-V73 HydrophobicContact CE3-CB 4.14Å; W70-V73 HydrophobicContact CE3-CG1 4.13Å; W70-V73 HydrophobicContact CE3-CG2 4.25Å; W70-V73 HydrophobicContact CZ3-CG1 4.27Å; W70-V73 PolarHBondContact O-N 3.43Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 2.92Å; V73-M76 PolarHBondContact O-N 2.84Å; V73-A77 PolarHBondContact O-N 2.92Å; V73-I222 HydrophobicContact CG1-CG2 4.2Å; V73-I225 HydrophobicContact CG2-CB 4.36Å; V73-I225 HydrophobicContact CG2-CG2 3.7Å |
| 74 | V | 96.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 37% | 0.37 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.2 | -44.2 | 177.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | M62 L66 W70 I72 M76 A77 C78 | M62-V74 HydrophobicContact CE-CB 3.95Å; M62-V74 HydrophobicContact CE-CG1 3.59Å; L66-V74 HydrophobicContact CD1-CG2 4.38Å; W70-V74 WeakPolarHBondContact O-CG2 3.47Å; W70-V74 PolarHBondContact O-N 3.45Å; I72-V74 PolarHBondContact O-N 2.98Å; V74-M76 VanDerWaalsContact C-N 3.34Å; V74-M76 PolarHBondContact O-N 3.33Å; V74-A77 WeakPolarHBondContact O-CB 3.28Å; V74-A77 PolarHBondContact O-N 3.35Å; V74-C78 PolarHBondContact O-N 3.42Å; V74-C78 VanDerWaalsContact O-N 3.07Å; V74-C78 PolarHBondContact O-SG 3.18Å; V74-C78 VanDerWaalsContact O-SG 3.36Å |
| 75 | G | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T71 I72 V73 A77 C78 Y79 L108 | T71-G75 PolarHBondContact O-N 3.01Å; I72-G75 PolarHBondContact O-N 2.92Å; V73-G75 VanDerWaalsContact C-N 3.35Å; V73-G75 PolarHBondContact O-N 2.92Å; G75-A77 VanDerWaalsContact C-N 3.31Å; G75-A77 PolarHBondContact O-N 2.79Å; G75-C78 VanDerWaalsContact O-CB 3.32Å; G75-C78 WeakPolarHBondContact O-CB 3.46Å; G75-C78 PolarHBondContact O-N 3.27Å; G75-C78 VanDerWaalsContact O-N 3.12Å; G75-Y79 WeakPolarHBondContact O-CD2 3.33Å; G75-Y79 PolarHBondContact O-N 3.17Å; G75-Y79 VanDerWaalsContact O-N 3.14Å; G75-L108 VanDerWaalsContact C-CD1 3.48Å |
| 76 | M | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 177.2 | -67.2 | -163.2 | 164.9 | 0 | 0 | 111.9 | F16 L19 I72 V73 V74 C78 Y79 V80 L108 A221 I222 I225 | F16-M76 HydrophobicContact CD2-CE 3.69Å; F16-M76 HydrophobicContact CE2-CE 3.92Å; F16-M76 HydrophobicContact CG-CE 4.43Å; L19-M76 HydrophobicContact CD1-CB 4.13Å; L19-M76 HydrophobicContact CD1-CG 4.38Å; L19-M76 HydrophobicContact CD2-CB 4.29Å; L19-M76 HydrophobicContact CD2-CE 4.45Å; L19-M76 HydrophobicContact CD2-CG 3.85Å; I72-M76 HydrophobicContact CG2-CE 3.84Å; I72-M76 HydrophobicContact CG2-CG 4.21Å; I72-M76 HydrophobicContact CG2-SD 4.32Å; I72-M76 VanDerWaalsContact O-CG 3.3Å; I72-M76 WeakPolarHBondContact O-CG 3.43Å; I72-M76 PolarHBondContact O-N 3.45Å; V73-M76 PolarHBondContact O-N 2.84Å; V74-M76 VanDerWaalsContact C-N 3.34Å; V74-M76 PolarHBondContact O-N 3.33Å; M76-C78 VanDerWaalsContact C-N 3.33Å; M76-C78 PolarHBondContact O-N 3Å; M76-Y79 WeakPolarHBondContact O-CB 3.47Å; M76-Y79 PolarHBondContact O-N 3.26Å; M76-V80 WeakPolarHBondContact O-CG2 3.35Å; M76-V80 PolarHBondContact O-N 2.9Å; M76-L108 HydrophobicContact CB-CD1 4.4Å; M76-L108 HydrophobicContact CG-CD1 3.69Å; M76-A221 HydrophobicContact SD-CB 4.15Å; M76-I222 HydrophobicContact CB-CD1 4.37Å; M76-I222 HydrophobicContact CB-CG1 3.61Å; M76-I225 HydrophobicContact CE-CD1 4.32Å; M76-I225 HydrophobicContact CE-CG1 3.64Å; M76-I225 HydrophobicContact SD-CB 4.38Å; M76-I225 HydrophobicContact SD-CG1 3.73Å |
| 77 | A | 97.5 | Very high | 94.3 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 39% | 0.388 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V73 V74 G75 Y79 V80 S81 I222 | V73-A77 PolarHBondContact O-N 2.92Å; V74-A77 WeakPolarHBondContact O-CB 3.28Å; V74-A77 PolarHBondContact O-N 3.35Å; G75-A77 VanDerWaalsContact C-N 3.31Å; G75-A77 PolarHBondContact O-N 2.79Å; A77-Y79 VanDerWaalsContact C-N 3.33Å; A77-Y79 PolarHBondContact O-N 3.3Å; A77-V80 PolarHBondContact O-N 3.32Å; A77-S81 PolarHBondContact O-N 3.25Å; A77-I222 HydrophobicContact CB-CD1 4.19Å |
| 78 | C | 97.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 31.8 Ų | 31.8 | 14% | 0.135 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 173.1 | -63.4 | 0 | 0 | 0 | 0 | 111.9 | V74 G75 M76 S81 I100 | V74-C78 PolarHBondContact O-N 3.42Å; V74-C78 VanDerWaalsContact O-N 3.07Å; V74-C78 PolarHBondContact O-SG 3.18Å; V74-C78 VanDerWaalsContact O-SG 3.36Å; G75-C78 VanDerWaalsContact O-CB 3.32Å; G75-C78 WeakPolarHBondContact O-CB 3.46Å; G75-C78 PolarHBondContact O-N 3.27Å; G75-C78 VanDerWaalsContact O-N 3.12Å; M76-C78 VanDerWaalsContact C-N 3.33Å; M76-C78 PolarHBondContact O-N 3Å; C78-S81 PolarHBondContact O-N 2.63Å; C78-S81 PolarHBondContact O-OG 3.37Å; C78-I100 HydrophobicContact CB-CG2 3.99Å; C78-I100 WeakPolarHBondContact CB-O 3.19Å |
| 79 | Y | 96.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 174.3 | -85.3 | -94.1 | 0 | 0 | 0 | 112.6 | L19 F20 Y23 G75 M76 A77 S81 Y82 L101 L108 | L19-Y79 HydrophobicContact CD2-CD1 4.39Å; L19-Y79 HydrophobicContact CD2-CD2 3.87Å; L19-Y79 HydrophobicContact CD2-CE2 4.43Å; L19-Y79 HydrophobicContact CD2-CG 3.85Å; L19-Y79 HydrophobicContact CG-CG 4.29Å; F20-Y79 HydrophobicContact CE1-CE1 4.3Å; F20-Y79 HydrophobicContact CZ-CE1 4.1Å; F20-Y79 AromaticContact CZ-CZ 3.94Å; Y23-Y79 HydrophobicContact CD1-CD1 4.2Å; Y23-Y79 AromaticContact CD1-CE1 3.78Å; Y23-Y79 HydrophobicContact CD1-CE1 3.78Å; Y23-Y79 AromaticContact CD2-CD1 3.71Å; Y23-Y79 HydrophobicContact CD2-CD1 3.71Å; Y23-Y79 AromaticContact CD2-CE1 3.91Å; Y23-Y79 HydrophobicContact CD2-CE1 3.91Å; Y23-Y79 HydrophobicContact CE1-CE1 4.05Å; Y23-Y79 HydrophobicContact CE2-CD1 4.31Å; Y23-Y79 HydrophobicContact CE2-CE1 4.17Å; Y23-Y79 AromaticContact CG-CD1 3.64Å; Y23-Y79 HydrophobicContact CG-CD1 3.64Å; Y23-Y79 AromaticContact CG-CE1 3.7Å; Y23-Y79 HydrophobicContact CG-CE1 3.7Å; G75-Y79 WeakPolarHBondContact O-CD2 3.33Å; G75-Y79 PolarHBondContact O-N 3.17Å; G75-Y79 VanDerWaalsContact O-N 3.14Å; M76-Y79 WeakPolarHBondContact O-CB 3.47Å; M76-Y79 PolarHBondContact O-N 3.26Å; A77-Y79 VanDerWaalsContact C-N 3.33Å; A77-Y79 PolarHBondContact O-N 3.3Å; Y79-S81 VanDerWaalsContact C-N 3.28Å; Y79-S81 PolarHBondContact O-N 3.01Å; Y79-Y82 WeakPolarHBondContact O-CB 3.42Å; Y79-Y82 PolarHBondContact O-N 2.93Å; Y79-L101 HydrophobicContact CD1-CD1 3.67Å; Y79-L101 HydrophobicContact CD1-CD2 4.31Å; Y79-L101 HydrophobicContact CD1-CG 3.95Å; Y79-L101 HydrophobicContact CE1-CD1 4.19Å; Y79-L101 HydrophobicContact CE1-CD2 4.07Å; Y79-L101 HydrophobicContact CE1-CG 4.22Å; Y79-L101 HydrophobicContact CG-CD1 4.1Å; Y79-L101 HydrophobicContact CG-CG 4.11Å; Y79-L108 HydrophobicContact CD2-CD1 4.16Å; Y79-L108 HydrophobicContact CE2-CD1 4.11Å; Y79-L108 HydrophobicContact CE2-CD2 4.18Å |
| 80 | V | 96.6 | Very high | 94.1 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -35.3 | 178.1 | 171.5 | 0 | 0 | 0 | 0 | 111.7 | L19 M76 A77 Y82 S83 F84 V219 I222 | L19-V80 HydrophobicContact CD1-CG2 4.26Å; M76-V80 WeakPolarHBondContact O-CG2 3.35Å; M76-V80 PolarHBondContact O-N 2.9Å; A77-V80 PolarHBondContact O-N 3.32Å; V80-Y82 PolarHBondContact O-N 3.45Å; V80-S83 WeakPolarHBondContact O-CB 3.14Å; V80-S83 PolarHBondContact O-N 3.29Å; V80-S83 VanDerWaalsContact O-N 3.09Å; V80-F84 HydrophobicContact CG1-CD2 3.72Å; V80-F84 HydrophobicContact CG1-CE2 3.56Å; V80-F84 WeakPolarHBondContact O-CD2 3.44Å; V80-F84 PolarHBondContact O-N 3.42Å; V80-F84 VanDerWaalsContact O-N 3.07Å; V80-V219 HydrophobicContact CG1-CG2 4.14Å; V80-I222 HydrophobicContact CB-CD1 4.32Å; V80-I222 HydrophobicContact CG2-CD1 3.79Å |
| 81 | S | 96.1 | Very high | 93.9 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.7 | -34.9 | 177.4 | 80.1 | 0 | 0 | 0 | 0 | 113.3 | A77 C78 Y79 F84 G85 T97 I100 | A77-S81 PolarHBondContact O-N 3.25Å; C78-S81 PolarHBondContact O-N 2.63Å; C78-S81 PolarHBondContact O-OG 3.37Å; Y79-S81 VanDerWaalsContact C-N 3.28Å; Y79-S81 PolarHBondContact O-N 3.01Å; S81-F84 WeakPolarHBondContact O-CB 3.45Å; S81-F84 PolarHBondContact O-N 3.18Å; S81-G85 PolarHBondContact O-N 3.46Å; S81-T97 WeakPolarHBondContact O-CG2 3.29Å; S81-I100 WeakPolarHBondContact OG-CG2 3.37Å |
| 82 | Y | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 174.7 | -179.3 | -112.8 | 0 | 0 | 0 | 112.5 | Y23 L26 Q30 S43 I47 Y79 V80 F84 G85 N86 L94 S98 L101 | Y23-Y82 HydrophobicContact CD2-CD1 4.39Å; Y23-Y82 HydrophobicContact CE2-CD1 4.41Å; Y23-Y82 HydrophobicContact CE2-CE1 4.45Å; L26-Y82 HydrophobicContact CD2-CD1 3.81Å; L26-Y82 HydrophobicContact CD2-CE1 3.79Å; L26-Y82 HydrophobicContact CG-CE1 4.25Å; Q30-Y82 VanDerWaalsContact CG-OH 3.27Å; Q30-Y82 WeakPolarHBondContact CG-OH 3.49Å; Q30-Y82 PolarHBondContact OE1-OH 2.94Å; S43-Y82 PolarHBondContact OG-OH 2.84Å; I47-Y82 HydrophobicContact CD1-CD1 4.37Å; I47-Y82 HydrophobicContact CD1-CD2 4.23Å; I47-Y82 HydrophobicContact CD1-CE1 4.05Å; I47-Y82 HydrophobicContact CD1-CE2 3.91Å; I47-Y82 HydrophobicContact CD1-CG 4.44Å; Y79-Y82 WeakPolarHBondContact O-CB 3.42Å; Y79-Y82 PolarHBondContact O-N 2.93Å; V80-Y82 PolarHBondContact O-N 3.45Å; Y82-F84 VanDerWaalsContact C-N 3.29Å; Y82-F84 PolarHBondContact O-N 2.92Å; Y82-G85 PolarHBondContact O-N 3.3Å; Y82-N86 PolarHBondContact O-N 3.27Å; Y82-N86 VanDerWaalsContact O-N 3.13Å; Y82-N86 PolarHBondContact O-ND2 2.98Å; Y82-L94 HydrophobicContact CE2-CD2 4.41Å; Y82-S98 VanDerWaalsContact CE2-OG 3.25Å; Y82-S98 WeakPolarHBondContact CE2-OG 3.41Å; Y82-L101 VanDerWaalsContact CB-CD1 3.42Å; Y82-L101 HydrophobicContact CD1-CD1 3.76Å; Y82-L101 HydrophobicContact CG-CD1 3.71Å |
| 83 | S | 94.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.9 | -38.2 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 111.8 | V80 N86 | V80-S83 WeakPolarHBondContact O-CB 3.14Å; V80-S83 PolarHBondContact O-N 3.29Å; V80-S83 VanDerWaalsContact O-N 3.09Å; S83-N86 WeakPolarHBondContact O-CB 3.38Å; S83-N86 PolarHBondContact O-N 3.11Å |
| 84 | F | 94.2 | Very high | 93.5 | Very high | 107 Ų | 107 | 44.9 Ų | 44.9 | 47% | 0.469 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 172 | -85.1 | -78.1 | 0 | 0 | 0 | 112.6 | V80 S81 Y82 N86 L87 I215 | V80-F84 HydrophobicContact CG1-CD2 3.72Å; V80-F84 HydrophobicContact CG1-CE2 3.56Å; V80-F84 WeakPolarHBondContact O-CD2 3.44Å; V80-F84 PolarHBondContact O-N 3.42Å; V80-F84 VanDerWaalsContact O-N 3.07Å; S81-F84 WeakPolarHBondContact O-CB 3.45Å; S81-F84 PolarHBondContact O-N 3.18Å; Y82-F84 VanDerWaalsContact C-N 3.29Å; Y82-F84 PolarHBondContact O-N 2.92Å; F84-N86 PolarHBondContact O-N 2.77Å; F84-N86 VanDerWaalsContact O-N 3.16Å; F84-L87 HydrophobicContact CD1-CD1 3.86Å; F84-L87 HydrophobicContact CE1-CD1 4.44Å; F84-L87 WeakPolarHBondContact O-CB 3.33Å; F84-L87 PolarHBondContact O-N 3.36Å; F84-I215 HydrophobicContact CD1-CD1 3.87Å; F84-I215 HydrophobicContact CD2-CD1 4.36Å; F84-I215 HydrophobicContact CD2-CG1 4.35Å; F84-I215 HydrophobicContact CD2-CG2 4.29Å; F84-I215 HydrophobicContact CE1-CD1 4.03Å; F84-I215 HydrophobicContact CE1-CG2 4.08Å; F84-I215 HydrophobicContact CE2-CG1 4.4Å; F84-I215 HydrophobicContact CE2-CG2 3.53Å; F84-I215 HydrophobicContact CG-CD1 4.04Å; F84-I215 HydrophobicContact CG-CG1 4.49Å; F84-I215 HydrophobicContact CZ-CD1 4.36Å; F84-I215 HydrophobicContact CZ-CG2 3.4Å; F84-I215 VanDerWaalsContact CZ-CG2 3.4Å |
| 85 | G | 92.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 8% | 0.082 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.8 | -27.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S81 Y82 Y88 | S81-G85 PolarHBondContact O-N 3.46Å; Y82-G85 PolarHBondContact O-N 3.3Å; G85-Y88 CarbonylContact O-C 3.37Å |
| 86 | N | 92.5 | Very high | 93.4 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.9 | 177 | -84.9 | -90.4 | 0 | 0 | 0 | 114.7 | L26 Q30 N34 Y82 S83 F84 Y88 P89 L94 L211 | L26-N86 HydrophobicContact CD1-CB 4.47Å; L26-N86 HydrophobicContact CD2-CB 4.49Å; Q30-N86 PolarHBondContact NE2-OD1 3.07Å; Q30-N86 PolarHBondContact OE1-OD1 3.4Å; N34-N86 PolarHBondContact ND2-OD1 3.41Å; N34-N86 VanDerWaalsContact ND2-OD1 3.17Å; Y82-N86 PolarHBondContact O-N 3.27Å; Y82-N86 VanDerWaalsContact O-N 3.13Å; Y82-N86 PolarHBondContact O-ND2 2.98Å; S83-N86 WeakPolarHBondContact O-CB 3.38Å; S83-N86 PolarHBondContact O-N 3.11Å; F84-N86 PolarHBondContact O-N 2.77Å; F84-N86 VanDerWaalsContact O-N 3.16Å; N86-Y88 VanDerWaalsContact C-N 3.27Å; N86-Y88 PolarHBondContact O-N 3.11Å; N86-P89 WeakPolarHBondContact O-CD 3.46Å; N86-L94 HydrophobicContact CB-CD2 4.46Å; N86-L94 WeakPolarHBondContact ND2-CD2 3.39Å; N86-L211 VanDerWaalsContact C-CD1 3.49Å; N86-L211 HydrophobicContact CB-CD1 4.12Å; N86-L211 HydrophobicContact CB-CD2 3.72Å; N86-L211 WeakPolarHBondContact O-CD1 3.07Å |
| 87 | L | 90.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 48.4 Ų | 48.4 | 19% | 0.194 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.9 | 176.3 | -71.5 | 171.8 | 0 | 0 | 0 | 112.4 | F84 W208 L211 I215 | F84-L87 HydrophobicContact CD1-CD1 3.86Å; F84-L87 HydrophobicContact CE1-CD1 4.44Å; F84-L87 WeakPolarHBondContact O-CB 3.33Å; F84-L87 PolarHBondContact O-N 3.36Å; L87-W208 PolarHBondContact O-NE1 3.35Å; L87-L211 HydrophobicContact CD2-CB 3.7Å; L87-L211 HydrophobicContact CD2-CD1 4.09Å; L87-I215 HydrophobicContact CD1-CD1 3.73Å; L87-I215 HydrophobicContact CD2-CD1 4.17Å; L87-I215 HydrophobicContact CG-CD1 3.95Å |
| 88 | Y | 88.3 | Confident | 93.2 | Very high | 168 Ų | 168 | 46.1 Ų | 46.1 | 66% | 0.659 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -129.1 | 77.8 | 175.6 | -63.2 | -79 | 0 | 0 | 0 | 108.4 | G85 N86 G90 T93 W208 | G85-Y88 CarbonylContact O-C 3.37Å; N86-Y88 VanDerWaalsContact C-N 3.27Å; N86-Y88 PolarHBondContact O-N 3.11Å; Y88-G90 PolarHBondContact O-N 3.18Å; Y88-T93 WeakPolarHBondContact O-CB 3.03Å; Y88-T93 PolarHBondContact O-OG1 3.29Å; Y88-W208 HydrophobicContact CE1-CZ2 4.43Å |
| 89 | P | 86.1 | Confident | 93.2 | Very high | 34 Ų | 34 | 49.5 Ų | 49.5 | 22% | 0.221 | 24% | 0.238 | C | C | . | . | trans | -68.2 | 124.8 | -173.2 | 27.7 | -32.1 | 0 | 0 | 0 | 110.2 | N34 N86 L94 | N34-P89 VanDerWaalsContact OD1-CB 3.3Å; N34-P89 WeakPolarHBondContact OD1-CB 3.49Å; N86-P89 WeakPolarHBondContact O-CD 3.46Å; P89-L94 HydrophobicContact CB-CD1 3.89Å; P89-L94 HydrophobicContact CB-CG 4.33Å | ||
| 90 | G | 88.6 | Confident | 93.2 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -166.1 | 164.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y88 Y92 T93 L94 | Y88-G90 PolarHBondContact O-N 3.18Å; G90-Y92 PolarHBondContact O-N 2.97Å; G90-T93 PolarHBondContact N-OG1 2.92Å; G90-T93 PolarHBondContact O-N 3.22Å; G90-T93 PolarHBondContact O-OG1 3.04Å; G90-L94 WeakPolarHBondContact O-CB 3.37Å; G90-L94 PolarHBondContact O-N 3.26Å |
| 91 | W | 90.1 | Very high | 93.2 | Very high | 105 Ų | 105 | 52.1 Ų | 52.1 | 40% | 0.398 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.8 | -40.8 | -178.1 | -69.9 | 101.7 | 0 | 0 | 0 | 112.9 | Q37 M39 A42 T93 I95 | Q37-W91 HydrophobicContact CB-CZ2 4.05Å; M39-W91 HydrophobicContact CG-CD2 3.91Å; M39-W91 HydrophobicContact CG-CE3 4.46Å; M39-W91 HydrophobicContact CG-CG 4.41Å; M39-W91 HydrophobicContact CG-CH2 4.1Å; M39-W91 HydrophobicContact CG-CZ2 3.48Å; M39-W91 VanDerWaalsContact CG-CZ2 3.48Å; M39-W91 HydrophobicContact SD-CD2 4.33Å; M39-W91 HydrophobicContact SD-CG 4.21Å; A42-W91 HydrophobicContact CB-CH2 4.06Å; A42-W91 HydrophobicContact CB-CZ3 3.9Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 3.32Å; W91-I95 HydrophobicContact CE3-CD1 4.02Å; W91-I95 HydrophobicContact CE3-CG1 3.9Å; W91-I95 HydrophobicContact CZ3-CD1 4.14Å; W91-I95 HydrophobicContact CZ3-CG1 4.5Å; W91-I95 VanDerWaalsContact O-CB 3.29Å; W91-I95 WeakPolarHBondContact O-CB 3.39Å; W91-I95 VanDerWaalsContact O-CG1 3.23Å; W91-I95 WeakPolarHBondContact O-CG1 3.38Å; W91-I95 PolarHBondContact O-N 3.39Å |
| 92 | Y | 90.9 | Very high | 93.2 | Very high | 222 Ų | 222 | 50.8 Ų | 50.8 | 87% | 0.871 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -76.1 | -14.8 | -179.5 | -61.6 | -71.8 | 0 | 0 | 0 | 114.7 | G90 P96 | G90-Y92 PolarHBondContact O-N 2.97Å; Y92-P96 WeakPolarHBondContact O-CD 3.33Å; Y92-P96 VanDerWaalsContact O-CG 3.28Å; Y92-P96 WeakPolarHBondContact O-CG 3.38Å |
| 93 | T | 93 | Very high | 93.1 | Very high | 53 Ų | 53 | 53.2 Ų | 53.2 | 33% | 0.325 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -103 | -46.9 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | Y88 G90 W91 T97 | Y88-T93 WeakPolarHBondContact O-CB 3.03Å; Y88-T93 PolarHBondContact O-OG1 3.29Å; G90-T93 PolarHBondContact N-OG1 2.92Å; G90-T93 PolarHBondContact O-N 3.22Å; G90-T93 PolarHBondContact O-OG1 3.04Å; W91-T93 VanDerWaalsContact C-N 3.33Å; W91-T93 PolarHBondContact O-N 3.32Å; T93-T97 WeakPolarHBondContact O-CB 3.34Å; T93-T97 VanDerWaalsContact O-CG2 3.26Å; T93-T97 WeakPolarHBondContact O-CG2 3.45Å; T93-T97 PolarHBondContact O-N 3.3Å; T93-T97 PolarHBondContact O-OG1 2.85Å |
| 94 | L | 92.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.5 | -44.5 | -177 | -72.2 | 176.8 | 0 | 0 | 0 | 112.3 | M39 Y82 N86 P89 G90 T97 S98 | M39-L94 HydrophobicContact CB-CD1 4.48Å; Y82-L94 HydrophobicContact CE2-CD2 4.41Å; N86-L94 HydrophobicContact CB-CD2 4.46Å; N86-L94 WeakPolarHBondContact ND2-CD2 3.39Å; P89-L94 HydrophobicContact CB-CD1 3.89Å; P89-L94 HydrophobicContact CB-CG 4.33Å; G90-L94 WeakPolarHBondContact O-CB 3.37Å; G90-L94 PolarHBondContact O-N 3.26Å; L94-T97 PolarHBondContact O-OG1 3Å; L94-S98 WeakPolarHBondContact O-CB 3.24Å; L94-S98 PolarHBondContact O-N 3.48Å; L94-S98 PolarHBondContact O-OG 3.39Å |
| 95 | I | 94.5 | Very high | 92.9 | Very high | 51 Ų | 51 | 48 Ų | 48 | 26% | 0.262 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.7 | -47.8 | -175.8 | -57.9 | -62.7 | 0 | 0 | 0 | 111.8 | V46 W91 S98 F99 | V46-I95 HydrophobicContact CG1-CG2 4.36Å; V46-I95 HydrophobicContact CG2-CD1 4.07Å; V46-I95 HydrophobicContact CG2-CG2 4.3Å; W91-I95 HydrophobicContact CE3-CD1 4.02Å; W91-I95 HydrophobicContact CE3-CG1 3.9Å; W91-I95 HydrophobicContact CZ3-CD1 4.14Å; W91-I95 HydrophobicContact CZ3-CG1 4.5Å; W91-I95 VanDerWaalsContact O-CB 3.29Å; W91-I95 WeakPolarHBondContact O-CB 3.39Å; W91-I95 VanDerWaalsContact O-CG1 3.23Å; W91-I95 WeakPolarHBondContact O-CG1 3.38Å; W91-I95 PolarHBondContact O-N 3.39Å; I95-S98 WeakPolarHBondContact O-CB 3.29Å; I95-S98 PolarHBondContact O-N 3.4Å; I95-F99 PolarHBondContact O-N 2.93Å |
| 96 | P | 96.1 | Very high | 92.7 | Very high | 62 Ų | 62 | 48.1 Ų | 48.1 | 40% | 0.403 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.1 | -41.9 | 177.7 | -25.2 | 38 | 0 | 0 | 0 | 113.1 | Y92 S98 F99 I100 | Y92-P96 WeakPolarHBondContact O-CD 3.33Å; Y92-P96 VanDerWaalsContact O-CG 3.28Å; Y92-P96 WeakPolarHBondContact O-CG 3.38Å; P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 3Å; P96-F99 WeakPolarHBondContact O-CB 3.23Å; P96-F99 PolarHBondContact O-N 3.4Å; P96-I100 VanDerWaalsContact O-CG1 3.29Å; P96-I100 WeakPolarHBondContact O-CG1 3.2Å; P96-I100 PolarHBondContact O-N 2.88Å |
| 97 | T | 96.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 48 Ų | 48 | 14% | 0.135 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.4 | -31.2 | 179.3 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | S81 T93 L94 I100 L101 | S81-T97 WeakPolarHBondContact O-CG2 3.29Å; T93-T97 WeakPolarHBondContact O-CB 3.34Å; T93-T97 VanDerWaalsContact O-CG2 3.26Å; T93-T97 WeakPolarHBondContact O-CG2 3.45Å; T93-T97 PolarHBondContact O-N 3.3Å; T93-T97 PolarHBondContact O-OG1 2.85Å; L94-T97 PolarHBondContact O-OG1 3Å; T97-I100 PolarHBondContact O-N 2.72Å; T97-L101 WeakPolarHBondContact O-CB 3.34Å; T97-L101 PolarHBondContact O-N 2.77Å |
| 98 | S | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 169.2 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | S43 I47 Y82 L94 I95 P96 L101 G102 | S43-S98 WeakPolarHBondContact CB-OG 3.42Å; S43-S98 WeakPolarHBondContact O-CB 3.43Å; S43-S98 PolarHBondContact O-OG 2.87Å; I47-S98 WeakPolarHBondContact CG1-O 3.25Å; Y82-S98 VanDerWaalsContact CE2-OG 3.25Å; Y82-S98 WeakPolarHBondContact CE2-OG 3.41Å; L94-S98 WeakPolarHBondContact O-CB 3.24Å; L94-S98 PolarHBondContact O-N 3.48Å; L94-S98 PolarHBondContact O-OG 3.39Å; I95-S98 WeakPolarHBondContact O-CB 3.29Å; I95-S98 PolarHBondContact O-N 3.4Å; P96-S98 VanDerWaalsContact C-N 3.32Å; P96-S98 PolarHBondContact O-N 3Å; S98-L101 PolarHBondContact O-N 3.5Å; S98-G102 PolarHBondContact O-N 3.24Å |
| 99 | F | 96.6 | Very high | 92.7 | Very high | 91 Ų | 91 | 40 Ų | 40 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.5 | -172.4 | -102.2 | 0 | 0 | 0 | 111.2 | V46 A50 I95 P96 L101 G102 L103 | V46-F99 HydrophobicContact CG1-CB 4.01Å; V46-F99 HydrophobicContact CG1-CD2 4.46Å; A50-F99 HydrophobicContact CB-CD2 3.65Å; A50-F99 HydrophobicContact CB-CE2 3.98Å; A50-F99 HydrophobicContact CB-CG 4.32Å; I95-F99 PolarHBondContact O-N 2.93Å; P96-F99 WeakPolarHBondContact O-CB 3.23Å; P96-F99 PolarHBondContact O-N 3.4Å; F99-L101 PolarHBondContact O-N 3.4Å; F99-G102 PolarHBondContact O-N 3.37Å; F99-L103 HydrophobicContact CD1-CD1 3.92Å; F99-L103 HydrophobicContact CD1-CG 4.23Å; F99-L103 HydrophobicContact CE1-CD1 3.51Å; F99-L103 HydrophobicContact CE1-CD2 4.31Å; F99-L103 HydrophobicContact CE1-CG 3.97Å; F99-L103 HydrophobicContact CZ-CD1 4.17Å; F99-L103 HydrophobicContact CZ-CD2 4.15Å; F99-L103 HydrophobicContact CZ-CG 4.28Å; F99-L103 WeakPolarHBondContact O-CG 3.16Å; F99-L103 PolarHBondContact O-N 2.88Å |
| 100 | I | 96.9 | Very high | 92.5 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 38% | 0.379 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 175.7 | -68.3 | 165.5 | 0 | 0 | 0 | 111 | C78 S81 P96 T97 G102 L103 G104 | C78-I100 HydrophobicContact CB-CG2 3.99Å; C78-I100 WeakPolarHBondContact CB-O 3.19Å; S81-I100 WeakPolarHBondContact OG-CG2 3.37Å; P96-I100 VanDerWaalsContact O-CG1 3.29Å; P96-I100 WeakPolarHBondContact O-CG1 3.2Å; P96-I100 PolarHBondContact O-N 2.88Å; T97-I100 PolarHBondContact O-N 2.72Å; I100-G102 VanDerWaalsContact C-N 3.34Å; I100-G102 PolarHBondContact O-N 3.48Å; I100-L103 PolarHBondContact O-N 2.83Å; I100-G104 PolarHBondContact O-N 3.29Å; I100-G104 VanDerWaalsContact O-N 3.09Å |
| 101 | L | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.9 | -47.5 | 176.2 | -178.2 | 157.7 | 0 | 0 | 0 | 111 | Y23 I47 Y79 Y82 T97 S98 F99 L103 G104 G105 | Y23-L101 HydrophobicContact CD2-CD1 3.74Å; Y23-L101 HydrophobicContact CE2-CD1 3.6Å; Y23-L101 HydrophobicContact CE2-CD2 4.18Å; I47-L101 HydrophobicContact CB-CD2 4.25Å; I47-L101 HydrophobicContact CD1-CD1 4.22Å; I47-L101 HydrophobicContact CD1-CD2 3.96Å; I47-L101 HydrophobicContact CG1-CD2 3.93Å; I47-L101 HydrophobicContact CG2-CD2 3.38Å; Y79-L101 HydrophobicContact CD1-CD1 3.67Å; Y79-L101 HydrophobicContact CD1-CD2 4.31Å; Y79-L101 HydrophobicContact CD1-CG 3.95Å; Y79-L101 HydrophobicContact CE1-CD1 4.19Å; Y79-L101 HydrophobicContact CE1-CD2 4.07Å; Y79-L101 HydrophobicContact CE1-CG 4.22Å; Y79-L101 HydrophobicContact CG-CD1 4.1Å; Y79-L101 HydrophobicContact CG-CG 4.11Å; Y82-L101 VanDerWaalsContact CB-CD1 3.42Å; Y82-L101 HydrophobicContact CD1-CD1 3.76Å; Y82-L101 HydrophobicContact CG-CD1 3.71Å; T97-L101 WeakPolarHBondContact O-CB 3.34Å; T97-L101 PolarHBondContact O-N 2.77Å; S98-L101 PolarHBondContact O-N 3.5Å; F99-L101 PolarHBondContact O-N 3.4Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.05Å; L101-G104 CarbonylContact O-C 3.51Å; L101-G104 PolarHBondContact O-N 3.5Å; L101-G104 VanDerWaalsContact O-N 3.15Å; L101-G105 PolarHBondContact O-N 2.91Å |
| 102 | G | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | I47 I51 S98 F99 I100 G104 G105 | I47-G102 WeakPolarHBondContact O-CA 3.41Å; I51-G102 WeakPolarHBondContact CG1-O 3.39Å; S98-G102 PolarHBondContact O-N 3.24Å; F99-G102 PolarHBondContact O-N 3.37Å; I100-G102 VanDerWaalsContact C-N 3.34Å; I100-G102 PolarHBondContact O-N 3.48Å; G102-G104 PolarHBondContact O-N 3.42Å; G102-G105 PolarHBondContact O-N 3.2Å |
| 103 | L | 94.5 | Very high | 91.9 | Very high | 51 Ų | 51 | 25.9 Ų | 25.9 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 172.1 | -69.2 | -175.1 | 0 | 0 | 0 | 112.4 | S54 L58 F99 I100 L101 P107 | S54-L103 PolarHBondContact OG-O 3.39Å; L58-L103 HydrophobicContact CD1-CB 4.07Å; L58-L103 HydrophobicContact CD1-CD2 3.81Å; L58-L103 HydrophobicContact CD1-CG 4.44Å; F99-L103 HydrophobicContact CD1-CD1 3.92Å; F99-L103 HydrophobicContact CD1-CG 4.23Å; F99-L103 HydrophobicContact CE1-CD1 3.51Å; F99-L103 HydrophobicContact CE1-CD2 4.31Å; F99-L103 HydrophobicContact CE1-CG 3.97Å; F99-L103 HydrophobicContact CZ-CD1 4.17Å; F99-L103 HydrophobicContact CZ-CD2 4.15Å; F99-L103 HydrophobicContact CZ-CG 4.28Å; F99-L103 WeakPolarHBondContact O-CG 3.16Å; F99-L103 PolarHBondContact O-N 2.88Å; I100-L103 PolarHBondContact O-N 2.83Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.05Å; L103-P107 WeakPolarHBondContact O-CD 3.19Å |
| 104 | G | 93.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -79.5 | -17.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I100 L101 G102 P107 L108 | I100-G104 PolarHBondContact O-N 3.29Å; I100-G104 VanDerWaalsContact O-N 3.09Å; L101-G104 CarbonylContact O-C 3.51Å; L101-G104 PolarHBondContact O-N 3.5Å; L101-G104 VanDerWaalsContact O-N 3.15Å; G102-G104 PolarHBondContact O-N 3.42Å; G104-P107 WeakPolarHBondContact O-CD 3.39Å; G104-L108 VanDerWaalsContact O-CB 3.26Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 2.87Å |
| 105 | G | 90.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -53.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L101 G102 W109 | L101-G105 PolarHBondContact O-N 2.91Å; G102-G105 PolarHBondContact O-N 3.2Å; G105-W109 VanDerWaalsContact O-CD1 3.24Å; G105-W109 PolarHBondContact O-N 2.65Å |
| 106 | S | 88.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 7% | 0.07 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.6 | -46.2 | -178.2 | -171.2 | 0 | 0 | 0 | 0 | 113.7 | S55 L108 W109 S110 | S55-S106 WeakPolarHBondContact CA-OG 3.14Å; S55-S106 VanDerWaalsContact CB-OG 3.27Å; S55-S106 WeakPolarHBondContact CB-OG 3.44Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.43Å; S106-W109 PolarHBondContact O-N 2.65Å; S106-S110 PolarHBondContact O-N 3.42Å; S106-S110 PolarHBondContact O-OG 2.94Å |
| 107 | P | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | -179.8 | -24.8 | 36.7 | 0 | 0 | 0 | 112.2 | S54 L58 P59 M62 T71 L103 G104 S110 A111 | S54-P107 VanDerWaalsContact OG-CD 3.29Å; S54-P107 WeakPolarHBondContact OG-CD 3.42Å; L58-P107 HydrophobicContact CB-CG 3.55Å; P59-P107 HydrophobicContact CG-CG 4.28Å; M62-P107 HydrophobicContact CB-CB 4.35Å; M62-P107 HydrophobicContact CE-CB 4.35Å; M62-P107 HydrophobicContact CG-CB 4.47Å; M62-P107 HydrophobicContact SD-CB 3.52Å; M62-P107 VanDerWaalsContact SD-CB 3.52Å; M62-P107 HydrophobicContact SD-CG 3.51Å; M62-P107 VanDerWaalsContact SD-CG 3.51Å; T71-P107 HydrophobicContact CG2-CB 3.72Å; L103-P107 WeakPolarHBondContact O-CD 3.19Å; G104-P107 WeakPolarHBondContact O-CD 3.39Å; P107-S110 PolarHBondContact O-N 3.21Å; P107-A111 WeakPolarHBondContact O-CB 3.19Å; P107-A111 PolarHBondContact O-N 3.08Å |
| 108 | L | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 175.5 | 177.1 | 138 | 0 | 0 | 0 | 111.8 | F16 L19 F20 G75 M76 Y79 G104 S106 K112 | F16-L108 HydrophobicContact CD1-CD2 4.29Å; F16-L108 HydrophobicContact CE1-CD2 3.3Å; F16-L108 HydrophobicContact CE1-CG 4.16Å; F16-L108 HydrophobicContact CZ-CD2 3.45Å; F16-L108 VanDerWaalsContact CZ-CD2 3.45Å; F16-L108 HydrophobicContact CZ-CG 3.77Å; L19-L108 HydrophobicContact CD2-CD1 4.05Å; F20-L108 HydrophobicContact CE2-CD2 4.42Å; G75-L108 VanDerWaalsContact C-CD1 3.48Å; M76-L108 HydrophobicContact CB-CD1 4.4Å; M76-L108 HydrophobicContact CG-CD1 3.69Å; Y79-L108 HydrophobicContact CD2-CD1 4.16Å; Y79-L108 HydrophobicContact CE2-CD1 4.11Å; Y79-L108 HydrophobicContact CE2-CD2 4.18Å; G104-L108 VanDerWaalsContact O-CB 3.26Å; G104-L108 WeakPolarHBondContact O-CB 3.39Å; G104-L108 PolarHBondContact O-N 2.87Å; S106-L108 VanDerWaalsContact C-N 3.29Å; S106-L108 PolarHBondContact O-N 3.43Å; L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.16Å; L108-K112 VanDerWaalsContact O-N 3.11Å |
| 109 | W | 86.6 | Confident | 88.6 | Confident | 38 Ų | 38 | 23 Ų | 23 | 14% | 0.144 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66 | -45.8 | 179.5 | -80.8 | 110.7 | 0 | 0 | 0 | 112.3 | F16 F20 G105 S106 K112 C113 F142 F143 F146 | F16-W109 HydrophobicContact CD1-CH2 4.43Å; F16-W109 HydrophobicContact CE1-CD2 4.43Å; F16-W109 HydrophobicContact CE1-CE3 4.25Å; F16-W109 HydrophobicContact CE1-CH2 4.49Å; F16-W109 HydrophobicContact CE1-CZ3 4.28Å; F20-W109 AromaticContact CE1-CZ2 3.9Å; F20-W109 HydrophobicContact CE1-CZ2 3.9Å; F20-W109 AromaticContact CE2-CZ2 3.89Å; F20-W109 HydrophobicContact CE2-CZ2 3.89Å; F20-W109 AromaticContact CZ-CE2 3.74Å; F20-W109 HydrophobicContact CZ-CH2 4.39Å; F20-W109 AromaticContact CZ-CZ2 3.35Å; F20-W109 HydrophobicContact CZ-CZ2 3.35Å; F20-W109 AromaticContact CZ-NE1 3.73Å; G105-W109 VanDerWaalsContact O-CD1 3.24Å; G105-W109 PolarHBondContact O-N 2.65Å; S106-W109 PolarHBondContact O-N 2.65Å; W109-K112 HydrophobicContact CE3-CD 3.99Å; W109-K112 HydrophobicContact CZ3-CD 4.16Å; W109-K112 PolarHBondContact O-N 2.95Å; W109-C113 PolarHBondContact O-N 3.46Å; W109-C113 PolarHBondContact O-SG 2.8Å; W109-C113 VanDerWaalsContact O-SG 3.34Å; W109-F142 HydrophobicContact CZ3-CE1 4.09Å; W109-F142 HydrophobicContact CZ3-CZ 4.19Å; W109-F143 HydrophobicContact CZ3-CE1 4.5Å; W109-F146 HydrophobicContact CH2-CD1 4.4Å; W109-F146 HydrophobicContact CH2-CD2 4.25Å; W109-F146 AromaticContact CH2-CE1 3.84Å; W109-F146 HydrophobicContact CH2-CE1 3.84Å; W109-F146 AromaticContact CH2-CE2 3.61Å; W109-F146 HydrophobicContact CH2-CE2 3.61Å; W109-F146 AromaticContact CH2-CZ 3.41Å; W109-F146 HydrophobicContact CH2-CZ 3.41Å; W109-F146 VanDerWaalsContact CH2-CZ 3.41Å; W109-F146 AromaticContact CZ2-CE2 3.94Å; W109-F146 HydrophobicContact CZ2-CE2 3.94Å; W109-F146 AromaticContact CZ2-CZ 3.78Å; W109-F146 HydrophobicContact CZ2-CZ 3.78Å |
| 110 | S | 83.2 | Confident | 88 | Confident | 41 Ų | 41 | 18.6 Ų | 18.6 | 29% | 0.287 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 177.3 | -62 | 0 | 0 | 0 | 0 | 112 | P59 S106 P107 K112 C113 T114 | P59-S110 WeakPolarHBondContact CB-OG 3.28Å; S106-S110 PolarHBondContact O-N 3.42Å; S106-S110 PolarHBondContact O-OG 2.94Å; P107-S110 PolarHBondContact O-N 3.21Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 3.45Å; S110-C113 WeakPolarHBondContact O-CB 3.4Å; S110-C113 PolarHBondContact O-N 3.44Å; S110-C113 VanDerWaalsContact O-N 3.12Å; S110-T114 PolarHBondContact O-N 2.92Å; S110-T114 PolarHBondContact O-OG1 2.97Å |
| 111 | A | 86.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I63 T71 I72 P107 T114 Y115 | I63-A111 HydrophobicContact CD1-CB 4.1Å; I63-A111 HydrophobicContact CG1-CB 3.91Å; T71-A111 HydrophobicContact CG2-CB 3.66Å; I72-A111 HydrophobicContact CG1-CB 3.83Å; P107-A111 WeakPolarHBondContact O-CB 3.19Å; P107-A111 PolarHBondContact O-N 3.08Å; A111-T114 PolarHBondContact O-N 3.32Å; A111-Y115 VanDerWaalsContact O-CB 3.25Å; A111-Y115 WeakPolarHBondContact O-CB 3.39Å; A111-Y115 PolarHBondContact O-N 3.11Å |
| 112 | K | 89.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | 174.7 | 159.9 | -97.6 | 120.7 | 90.1 | 0 | 112.4 | V12 F16 I72 L108 W109 S110 Y115 L116 F142 | V12-K112 HydrophobicContact CG1-CG 3.9Å; F16-K112 HydrophobicContact CE1-CB 4.19Å; F16-K112 HydrophobicContact CE1-CD 4.12Å; F16-K112 HydrophobicContact CE1-CG 4.05Å; F16-K112 HydrophobicContact CE2-CB 3.82Å; F16-K112 HydrophobicContact CE2-CG 3.89Å; F16-K112 HydrophobicContact CZ-CB 3.39Å; F16-K112 HydrophobicContact CZ-CD 4.15Å; F16-K112 HydrophobicContact CZ-CG 3.6Å; I72-K112 HydrophobicContact CD1-CB 4.18Å; I72-K112 HydrophobicContact CG1-CB 4.49Å; L108-K112 WeakPolarHBondContact O-CB 3.35Å; L108-K112 PolarHBondContact O-N 3.16Å; L108-K112 VanDerWaalsContact O-N 3.11Å; W109-K112 HydrophobicContact CE3-CD 3.99Å; W109-K112 HydrophobicContact CZ3-CD 4.16Å; W109-K112 PolarHBondContact O-N 2.95Å; S110-K112 VanDerWaalsContact C-N 3.31Å; S110-K112 PolarHBondContact O-N 3.45Å; K112-Y115 PolarHBondContact O-N 3.03Å; K112-L116 WeakPolarHBondContact O-CG 3.42Å; K112-L116 PolarHBondContact O-N 3.22Å; K112-L116 VanDerWaalsContact O-N 3.08Å; K112-F142 HydrophobicContact CD-CE1 4.02Å; K112-F142 HydrophobicContact CD-CE2 3.88Å; K112-F142 HydrophobicContact CD-CZ 3.59Å; K112-F142 HydrophobicContact CG-CD2 4.38Å; K112-F142 HydrophobicContact CG-CE2 3.75Å; K112-F142 HydrophobicContact CG-CZ 3.97Å |
| 113 | C | 81 | Confident | 86.3 | Confident | 46 Ų | 46 | 21.9 Ų | 21.9 | 31% | 0.311 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.4 | -46 | 173.3 | -70.6 | 0 | 0 | 0 | 0 | 112 | W109 S110 L116 T117 F139 | W109-C113 PolarHBondContact O-N 3.46Å; W109-C113 PolarHBondContact O-SG 2.8Å; W109-C113 VanDerWaalsContact O-SG 3.34Å; S110-C113 WeakPolarHBondContact O-CB 3.4Å; S110-C113 PolarHBondContact O-N 3.44Å; S110-C113 VanDerWaalsContact O-N 3.12Å; C113-L116 PolarHBondContact O-N 3.27Å; C113-T117 WeakPolarHBondContact O-CB 3.33Å; C113-T117 PolarHBondContact O-N 3.28Å; C113-T117 PolarHBondContact O-OG1 3.42Å; C113-F139 HydrophobicContact CB-CE1 4.3Å; C113-F139 HydrophobicContact CB-CZ 4.06Å |
| 114 | T | 81.1 | Confident | 85.9 | Confident | 42 Ų | 42 | 19.6 Ų | 19.6 | 26% | 0.258 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -62 | -45.1 | 176.3 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | S110 A111 L116 T117 I118 | S110-T114 PolarHBondContact O-N 2.92Å; S110-T114 PolarHBondContact O-OG1 2.97Å; A111-T114 PolarHBondContact O-N 3.32Å; T114-L116 PolarHBondContact O-N 3.43Å; T114-T117 PolarHBondContact O-N 2.92Å; T114-I118 HydrophobicContact CG2-CD1 3.76Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CG1 3.36Å; T114-I118 PolarHBondContact O-N 3.38Å |
| 115 | Y | 86.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 179.5 | -168 | -78.9 | 0 | 0 | 0 | 112.7 | N8 V12 C68 A111 K112 T117 S119 L229 D230 I232 | N8-Y115 HydrophobicContact CB-CE1 3.97Å; N8-Y115 WeakPolarHBondContact CB-OH 3.47Å; V12-Y115 HydrophobicContact CG2-CD1 4.02Å; V12-Y115 HydrophobicContact CG2-CE1 4.06Å; C68-Y115 HydrophobicContact CB-CD2 3.8Å; A111-Y115 VanDerWaalsContact O-CB 3.25Å; A111-Y115 WeakPolarHBondContact O-CB 3.39Å; A111-Y115 PolarHBondContact O-N 3.11Å; K112-Y115 PolarHBondContact O-N 3.03Å; Y115-T117 VanDerWaalsContact C-N 3.35Å; Y115-S119 WeakPolarHBondContact CE1-OG 3.37Å; Y115-S119 VanDerWaalsContact O-CB 3.28Å; Y115-S119 WeakPolarHBondContact O-CB 3.33Å; Y115-S119 PolarHBondContact O-N 3.27Å; Y115-S119 PolarHBondContact O-OG 3.42Å; Y115-L229 HydrophobicContact CD2-CD2 4.38Å; Y115-L229 HydrophobicContact CE1-CD1 3.78Å; Y115-L229 HydrophobicContact CE2-CD1 4.11Å; Y115-L229 HydrophobicContact CE2-CD2 3.89Å; Y115-L229 HydrophobicContact CE2-CG 3.94Å; Y115-L229 VanDerWaalsContact CZ-CD1 3.42Å; Y115-L229 WeakPolarHBondContact OH-CD1 3.16Å; Y115-D230 WeakPolarHBondContact CE2-O 3.45Å; Y115-D230 PolarHBondContact OH-O 3.05Å; Y115-I232 HydrophobicContact CD1-CD1 3.94Å; Y115-I232 HydrophobicContact CD2-CD1 3.54Å; Y115-I232 HydrophobicContact CD2-CG1 3.81Å; Y115-I232 HydrophobicContact CE1-CD1 3.89Å; Y115-I232 HydrophobicContact CE2-CB 4.4Å; Y115-I232 HydrophobicContact CE2-CD1 3.52Å; Y115-I232 HydrophobicContact CE2-CG1 3.52Å; Y115-I232 HydrophobicContact CE2-CG2 4.17Å; Y115-I232 HydrophobicContact CG-CD1 3.75Å; Y115-I232 WeakPolarHBondContact OH-CG2 3.26Å |
| 116 | L | 84.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.9 | -36.9 | 177.9 | -69.8 | -177.3 | 0 | 0 | 0 | 112.1 | V9 K112 C113 T114 G120 F139 F142 | V9-L116 HydrophobicContact CB-CD2 4.2Å; V9-L116 HydrophobicContact CG1-CD2 3.94Å; V9-L116 HydrophobicContact CG2-CD2 3.76Å; K112-L116 WeakPolarHBondContact O-CG 3.42Å; K112-L116 PolarHBondContact O-N 3.22Å; K112-L116 VanDerWaalsContact O-N 3.08Å; C113-L116 PolarHBondContact O-N 3.27Å; T114-L116 PolarHBondContact O-N 3.43Å; L116-G120 PolarHBondContact O-N 3.03Å; L116-F139 HydrophobicContact CB-CD2 4.19Å; L116-F139 HydrophobicContact CB-CE2 3.8Å; L116-F139 HydrophobicContact CB-CZ 4.09Å; L116-F139 HydrophobicContact CD1-CD1 4.08Å; L116-F139 HydrophobicContact CD1-CD2 4.4Å; L116-F139 HydrophobicContact CD1-CE1 4.19Å; L116-F139 HydrophobicContact CD1-CE2 4.48Å; L116-F139 HydrophobicContact CD1-CG 4.22Å; L116-F139 HydrophobicContact CD1-CZ 4.39Å; L116-F142 HydrophobicContact CD1-CB 3.8Å; L116-F142 HydrophobicContact CD1-CD2 4.16Å; L116-F142 HydrophobicContact CD1-CG 3.95Å |
| 117 | T | 80 | Confident | 85.2 | Confident | 51 Ų | 51 | 32.8 Ų | 32.8 | 31% | 0.313 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.6 | -48.2 | 178.2 | -57 | 0 | 0 | 0 | 0 | 111.1 | C113 T114 Y115 G120 N121 | C113-T117 WeakPolarHBondContact O-CB 3.33Å; C113-T117 PolarHBondContact O-N 3.28Å; C113-T117 PolarHBondContact O-OG1 3.42Å; T114-T117 PolarHBondContact O-N 2.92Å; Y115-T117 VanDerWaalsContact C-N 3.35Å; T117-G120 PolarHBondContact O-N 3.36Å; T117-N121 WeakPolarHBondContact O-CB 3.37Å; T117-N121 PolarHBondContact O-N 3.27Å; T117-N121 PolarHBondContact O-ND2 3.02Å |
| 118 | I | 82.1 | Confident | 85 | Confident | 33 Ų | 33 | 40.3 Ų | 40.3 | 17% | 0.169 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 176 | -65.4 | 170.7 | 0 | 0 | 0 | 109.9 | T114 G120 N121 V122 I232 D233 | T114-I118 HydrophobicContact CG2-CD1 3.76Å; T114-I118 HydrophobicContact CG2-CG1 4.35Å; T114-I118 WeakPolarHBondContact O-CG1 3.36Å; T114-I118 PolarHBondContact O-N 3.38Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 3.44Å; I118-N121 PolarHBondContact O-N 3.36Å; I118-V122 HydrophobicContact CG2-CG2 4.32Å; I118-V122 WeakPolarHBondContact O-CB 3.45Å; I118-V122 VanDerWaalsContact O-CG2 3.27Å; I118-V122 WeakPolarHBondContact O-CG2 3.37Å; I118-V122 PolarHBondContact O-N 3.35Å; I118-I232 HydrophobicContact CB-CD1 4Å; I118-I232 HydrophobicContact CG2-CD1 3.85Å; I118-I232 HydrophobicContact CG2-CG1 4.38Å; I118-D233 HydrophobicContact CD1-CB 4.4Å |
| 119 | S | 85.4 | Confident | 84.5 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.014 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 179.7 | -63.8 | 0 | 0 | 0 | 0 | 112.8 | N5 Y115 Q123 I232 | N5-S119 PolarHBondContact ND2-O 2.81Å; Y115-S119 WeakPolarHBondContact CE1-OG 3.37Å; Y115-S119 VanDerWaalsContact O-CB 3.28Å; Y115-S119 WeakPolarHBondContact O-CB 3.33Å; Y115-S119 PolarHBondContact O-N 3.27Å; Y115-S119 PolarHBondContact O-OG 3.42Å; S119-Q123 WeakPolarHBondContact O-CB 3.45Å; S119-Q123 PolarHBondContact O-N 2.93Å; S119-Q123 VanDerWaalsContact O-N 3.07Å; S119-I232 WeakPolarHBondContact OG-CD1 3.48Å |
| 120 | G | 83.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L116 T117 I118 Q123 A124 | L116-G120 PolarHBondContact O-N 3.03Å; T117-G120 PolarHBondContact O-N 3.36Å; I118-G120 VanDerWaalsContact C-N 3.31Å; I118-G120 PolarHBondContact O-N 3.44Å; G120-Q123 PolarHBondContact O-N 3.36Å; G120-A124 WeakPolarHBondContact O-CB 3.5Å; G120-A124 PolarHBondContact O-N 2.94Å |
| 121 | N | 82.2 | Confident | 83.8 | Confident | 62 Ų | 62 | 50.3 Ų | 50.3 | 33% | 0.332 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 177.7 | -73.9 | -23.8 | 0 | 0 | 0 | 112.2 | T117 I118 Q123 A124 A125 V135 | T117-N121 WeakPolarHBondContact O-CB 3.37Å; T117-N121 PolarHBondContact O-N 3.27Å; T117-N121 PolarHBondContact O-ND2 3.02Å; I118-N121 PolarHBondContact O-N 3.36Å; N121-Q123 VanDerWaalsContact C-N 3.31Å; N121-Q123 PolarHBondContact O-N 3.5Å; N121-A124 PolarHBondContact O-N 3Å; N121-A125 PolarHBondContact O-N 2.73Å; N121-V135 WeakPolarHBondContact OD1-CG2 3.46Å |
| 122 | V | 85.1 | Confident | 83.1 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -38.8 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I118 K126 | I118-V122 HydrophobicContact CG2-CG2 4.32Å; I118-V122 WeakPolarHBondContact O-CB 3.45Å; I118-V122 VanDerWaalsContact O-CG2 3.27Å; I118-V122 WeakPolarHBondContact O-CG2 3.37Å; I118-V122 PolarHBondContact O-N 3.35Å; V122-K126 WeakPolarHBondContact O-CG 3.47Å; V122-K126 PolarHBondContact O-N 3.16Å |
| 123 | Q | 85.1 | Confident | 82.4 | Confident | 17 Ų | 17 | 58 Ų | 58 | 8% | 0.079 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -69.8 | -41.1 | 175.8 | -172.7 | 65.8 | 32.8 | 0 | 0 | 111.8 | S3 N5 S119 G120 N121 A125 K126 D127 V134 Y138 | S3-Q123 PolarHBondContact OG-OE1 3.16Å; N5-Q123 HydrophobicContact CB-CB 4.39Å; N5-Q123 PolarHBondContact ND2-OE1 2.95Å; S119-Q123 WeakPolarHBondContact O-CB 3.45Å; S119-Q123 PolarHBondContact O-N 2.93Å; S119-Q123 VanDerWaalsContact O-N 3.07Å; G120-Q123 PolarHBondContact O-N 3.36Å; N121-Q123 VanDerWaalsContact C-N 3.31Å; N121-Q123 PolarHBondContact O-N 3.5Å; Q123-A125 VanDerWaalsContact C-N 3.3Å; Q123-A125 PolarHBondContact O-N 3.29Å; Q123-K126 WeakPolarHBondContact O-CB 3.19Å; Q123-K126 PolarHBondContact O-N 3.45Å; Q123-K126 VanDerWaalsContact O-N 3.11Å; Q123-D127 VanDerWaalsContact NE2-CG 3.26Å; Q123-D127 PolarHBondContact NE2-OD1 3.41Å; Q123-D127 PolarHBondContact NE2-OD2 3.07Å; Q123-D127 PolarHBondContact O-N 3.08Å; Q123-V134 HydrophobicContact CB-CG1 4.11Å; Q123-V134 HydrophobicContact CG-CG1 4.26Å; Q123-Y138 HydrophobicContact CB-CE2 4.32Å; Q123-Y138 WeakPolarHBondContact CG-OH 3.27Å |
| 124 | A | 85.8 | Confident | 82.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 2% | 0.017 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G120 N121 K126 D127 N128 K129 G131 V134 | G120-A124 WeakPolarHBondContact O-CB 3.5Å; G120-A124 PolarHBondContact O-N 2.94Å; N121-A124 PolarHBondContact O-N 3Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 3.32Å; A124-D127 PolarHBondContact O-N 3.05Å; A124-N128 WeakPolarHBondContact O-CA 3.31Å; A124-N128 PolarHBondContact O-N 3.3Å; A124-K129 PolarHBondContact O-N 3.31Å; A124-G131 VanDerWaalsContact CB-CA 3.5Å; A124-V134 HydrophobicContact CB-CB 4Å; A124-V134 HydrophobicContact CB-CG2 3.71Å |
| 125 | A | 85.1 | Confident | 82.1 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 67% | 0.669 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.9 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N121 Q123 | N121-A125 PolarHBondContact O-N 2.73Å; Q123-A125 VanDerWaalsContact C-N 3.3Å; Q123-A125 PolarHBondContact O-N 3.29Å |
| 126 | K | 86.8 | Confident | 81.6 | Confident | 136 Ų | 136 | 60.3 Ų | 60.3 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -70 | -38.6 | 176.1 | -71.7 | -179.1 | 178.9 | -172.3 | 0 | 112.9 | V122 Q123 A124 N128 | V122-K126 WeakPolarHBondContact O-CG 3.47Å; V122-K126 PolarHBondContact O-N 3.16Å; Q123-K126 WeakPolarHBondContact O-CB 3.19Å; Q123-K126 PolarHBondContact O-N 3.45Å; Q123-K126 VanDerWaalsContact O-N 3.11Å; A124-K126 VanDerWaalsContact C-N 3.32Å; A124-K126 PolarHBondContact O-N 3.32Å; K126-N128 VanDerWaalsContact C-N 3.31Å |
| 127 | D | 85.9 | Confident | 81.4 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 39% | 0.39 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 3.1 | -176 | -63.5 | -13.5 | 0 | 0 | 0 | 112.8 | Q123 A124 K129 | Q123-D127 VanDerWaalsContact NE2-CG 3.26Å; Q123-D127 PolarHBondContact NE2-OD1 3.41Å; Q123-D127 PolarHBondContact NE2-OD2 3.07Å; Q123-D127 PolarHBondContact O-N 3.08Å; A124-D127 PolarHBondContact O-N 3.05Å; D127-K129 VanDerWaalsContact C-N 3.25Å; D127-K129 HydrophobicContact CB-CD 4.04Å; D127-K129 HydrophobicContact CB-CG 4.15Å; D127-K129 PolarHBondContact O-N 3.22Å |
| 128 | N | 85.6 | Confident | 81.6 | Confident | 158 Ų | 158 | 63.5 Ų | 63.5 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 42.3 | -174.4 | -148.2 | 8.2 | 0 | 0 | 0 | 113.3 | A124 K126 | A124-N128 WeakPolarHBondContact O-CA 3.31Å; A124-N128 PolarHBondContact O-N 3.3Å; K126-N128 VanDerWaalsContact C-N 3.31Å |
| 129 | K | 83.9 | Confident | 81.5 | Confident | 133 Ų | 133 | 63.8 Ų | 63.8 | 58% | 0.578 | 34% | 0.343 | S | S | * | . | trans | -110.7 | 162.8 | 179.5 | -70 | 176.8 | -174.8 | 171 | 0 | 110.8 | A124 D127 G131 V134 | A124-K129 PolarHBondContact O-N 3.31Å; D127-K129 VanDerWaalsContact C-N 3.25Å; D127-K129 HydrophobicContact CB-CD 4.04Å; D127-K129 HydrophobicContact CB-CG 4.15Å; D127-K129 PolarHBondContact O-N 3.22Å; K129-G131 PolarHBondContact O-N 3.28Å; K129-V134 HydrophobicContact CB-CG2 3.98Å; K129-V134 HydrophobicContact CD-CG2 4.21Å | ||
| 130 | K | 80.9 | Confident | 81.1 | Confident | 136 Ų | 136 | 65.7 Ų | 65.7 | 59% | 0.591 | 36% | 0.364 | S | S | * | . | trans | -64.7 | 127.4 | 171.2 | -65.8 | -178.3 | 179.3 | -179.5 | 0 | 109.8 | A132 D133 V134 | K130-A132 VanDerWaalsContact C-N 3.27Å; K130-A132 PolarHBondContact O-N 3.05Å; K130-D133 PolarHBondContact O-N 3.2Å; K130-D133 VanDerWaalsContact O-N 3.08Å; K130-V134 PolarHBondContact O-N 3.13Å | ||
| 131 | G | 73.8 | Confident | 81.1 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 21% | 0.206 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -52.3 | -44 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | A124 K129 D133 V134 V135 | A124-G131 VanDerWaalsContact CB-CA 3.5Å; K129-G131 PolarHBondContact O-N 3.28Å; G131-D133 VanDerWaalsContact C-N 3.28Å; G131-D133 PolarHBondContact O-N 2.9Å; G131-V134 PolarHBondContact O-N 2.93Å; G131-V135 WeakPolarHBondContact O-CB 3.4Å; G131-V135 VanDerWaalsContact O-CG2 3.22Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 2.92Å |
| 132 | A | 71.5 | Confident | 81.3 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.3 | -40.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | K130 N136 | K130-A132 VanDerWaalsContact C-N 3.27Å; K130-A132 PolarHBondContact O-N 3.05Å; A132-N136 WeakPolarHBondContact O-CB 3.32Å; A132-N136 PolarHBondContact O-N 2.91Å; A132-N136 PolarHBondContact O-ND2 2.87Å; A132-N136 VanDerWaalsContact O-ND2 3.11Å |
| 133 | D | 75.3 | Confident | 81 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 52% | 0.524 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -70.5 | -42.6 | -176.6 | -63.1 | -22.6 | 0 | 0 | 0 | 111.5 | K130 G131 H137 | K130-D133 PolarHBondContact O-N 3.2Å; K130-D133 VanDerWaalsContact O-N 3.08Å; G131-D133 VanDerWaalsContact C-N 3.28Å; G131-D133 PolarHBondContact O-N 2.9Å; D133-H137 WeakPolarHBondContact O-CB 3.41Å; D133-H137 PolarHBondContact O-N 2.74Å |
| 134 | V | 80 | Confident | 80.8 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -71.7 | -40.9 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 111.1 | Q123 A124 K129 K130 G131 H137 Y138 | Q123-V134 HydrophobicContact CB-CG1 4.11Å; Q123-V134 HydrophobicContact CG-CG1 4.26Å; A124-V134 HydrophobicContact CB-CB 4Å; A124-V134 HydrophobicContact CB-CG2 3.71Å; K129-V134 HydrophobicContact CB-CG2 3.98Å; K129-V134 HydrophobicContact CD-CG2 4.21Å; K130-V134 PolarHBondContact O-N 3.13Å; G131-V134 PolarHBondContact O-N 2.93Å; V134-H137 WeakPolarHBondContact O-CB 3.45Å; V134-H137 PolarHBondContact O-N 3.05Å; V134-Y138 HydrophobicContact CG1-CE1 4.23Å; V134-Y138 HydrophobicContact CG1-CE2 4.26Å; V134-Y138 PolarHBondContact O-N 3.33Å |
| 135 | V | 76.3 | Confident | 80.8 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.6 | -50.8 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | N121 G131 H137 Y138 F139 | N121-V135 WeakPolarHBondContact OD1-CG2 3.46Å; G131-V135 WeakPolarHBondContact O-CB 3.4Å; G131-V135 VanDerWaalsContact O-CG2 3.22Å; G131-V135 WeakPolarHBondContact O-CG2 3.49Å; G131-V135 PolarHBondContact O-N 2.92Å; V135-H137 VanDerWaalsContact C-N 3.27Å; V135-H137 PolarHBondContact O-N 3.37Å; V135-Y138 PolarHBondContact O-N 3.45Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; V135-F139 HydrophobicContact CG1-CD2 3.61Å; V135-F139 HydrophobicContact CG1-CE2 3.62Å; V135-F139 WeakPolarHBondContact O-CD2 3.4Å; V135-F139 PolarHBondContact O-N 2.84Å |
| 136 | N | 74.5 | Confident | 80.8 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.9 | -40.5 | 177.3 | -74.5 | -21.8 | 0 | 0 | 0 | 112.2 | A132 F139 G140 | A132-N136 WeakPolarHBondContact O-CB 3.32Å; A132-N136 PolarHBondContact O-N 2.91Å; A132-N136 PolarHBondContact O-ND2 2.87Å; A132-N136 VanDerWaalsContact O-ND2 3.11Å; N136-F139 PolarHBondContact O-N 3.33Å; N136-G140 PolarHBondContact O-N 3.47Å |
| 137 | H | 80.3 | Confident | 80.5 | Confident | 111 Ų | 111 | 65 Ų | 65 | 51% | 0.514 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.7 | -176.8 | 60.2 | 0 | 0 | 0 | 112.4 | D133 V134 V135 G140 I141 | D133-H137 WeakPolarHBondContact O-CB 3.41Å; D133-H137 PolarHBondContact O-N 2.74Å; V134-H137 WeakPolarHBondContact O-CB 3.45Å; V134-H137 PolarHBondContact O-N 3.05Å; V135-H137 VanDerWaalsContact C-N 3.27Å; V135-H137 PolarHBondContact O-N 3.37Å; H137-G140 PolarHBondContact O-N 2.88Å; H137-I141 WeakPolarHBondContact NE2-CD1 3.49Å; H137-I141 WeakPolarHBondContact O-CG1 3.41Å; H137-I141 PolarHBondContact O-N 2.58Å |
| 138 | Y | 84.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 63 Ų | 63 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.5 | -40 | 177.9 | -74.4 | -0.2 | 0 | 0 | 0 | 112.9 | F6 V9 Q123 V134 V135 G140 I141 F142 | F6-Y138 AromaticContact CD2-CE1 3.83Å; F6-Y138 HydrophobicContact CD2-CE1 3.83Å; V9-Y138 HydrophobicContact CG1-CG 4.36Å; V9-Y138 HydrophobicContact CG2-CD1 4.3Å; V9-Y138 HydrophobicContact CG2-CD2 3.43Å; V9-Y138 VanDerWaalsContact CG2-CD2 3.43Å; V9-Y138 HydrophobicContact CG2-CE2 3.69Å; V9-Y138 HydrophobicContact CG2-CG 3.74Å; Q123-Y138 HydrophobicContact CB-CE2 4.32Å; Q123-Y138 WeakPolarHBondContact CG-OH 3.27Å; V134-Y138 HydrophobicContact CG1-CE1 4.23Å; V134-Y138 HydrophobicContact CG1-CE2 4.26Å; V134-Y138 PolarHBondContact O-N 3.33Å; V135-Y138 PolarHBondContact O-N 3.45Å; V135-Y138 VanDerWaalsContact O-N 3.12Å; Y138-G140 VanDerWaalsContact C-N 3.33Å; Y138-I141 PolarHBondContact O-N 2.95Å; Y138-F142 WeakPolarHBondContact O-CB 3.28Å; Y138-F142 PolarHBondContact O-N 3.45Å |
| 139 | F | 79.7 | Confident | 80.6 | Confident | 38 Ų | 38 | 55.7 Ų | 55.7 | 17% | 0.167 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 172.1 | -89 | -88.3 | 0 | 0 | 0 | 111.6 | C113 L116 V135 N136 F142 F143 | C113-F139 HydrophobicContact CB-CE1 4.3Å; C113-F139 HydrophobicContact CB-CZ 4.06Å; L116-F139 HydrophobicContact CB-CD2 4.19Å; L116-F139 HydrophobicContact CB-CE2 3.8Å; L116-F139 HydrophobicContact CB-CZ 4.09Å; L116-F139 HydrophobicContact CD1-CD1 4.08Å; L116-F139 HydrophobicContact CD1-CD2 4.4Å; L116-F139 HydrophobicContact CD1-CE1 4.19Å; L116-F139 HydrophobicContact CD1-CE2 4.48Å; L116-F139 HydrophobicContact CD1-CG 4.22Å; L116-F139 HydrophobicContact CD1-CZ 4.39Å; V135-F139 HydrophobicContact CG1-CD2 3.61Å; V135-F139 HydrophobicContact CG1-CE2 3.62Å; V135-F139 WeakPolarHBondContact O-CD2 3.4Å; V135-F139 PolarHBondContact O-N 2.84Å; N136-F139 PolarHBondContact O-N 3.33Å; F139-F142 PolarHBondContact O-N 3.11Å; F139-F143 HydrophobicContact CD1-CD2 4.46Å; F139-F143 AromaticContact CD1-CE2 3.9Å; F139-F143 HydrophobicContact CD1-CE2 3.9Å; F139-F143 VanDerWaalsContact O-CD2 3.23Å; F139-F143 WeakPolarHBondContact O-CD2 3.19Å; F139-F143 PolarHBondContact O-N 3.43Å |
| 140 | G | 76.6 | Confident | 80.7 | Confident | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | N136 H137 Y138 F143 F144 | N136-G140 PolarHBondContact O-N 3.47Å; H137-G140 PolarHBondContact O-N 2.88Å; Y138-G140 VanDerWaalsContact C-N 3.33Å; G140-F143 PolarHBondContact O-N 3.41Å; G140-F144 WeakPolarHBondContact O-CB 3.14Å; G140-F144 PolarHBondContact O-N 2.87Å |
| 141 | I | 84.9 | Confident | 81.1 | Confident | 32 Ų | 32 | 45.2 Ų | 45.2 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 175.6 | -68.6 | 172.7 | 0 | 0 | 0 | 110.9 | F6 L10 H137 Y138 F143 F144 I145 | F6-I141 HydrophobicContact CE2-CD1 3.54Å; F6-I141 HydrophobicContact CZ-CD1 4.1Å; L10-I141 HydrophobicContact CD2-CG2 4.27Å; H137-I141 WeakPolarHBondContact NE2-CD1 3.49Å; H137-I141 WeakPolarHBondContact O-CG1 3.41Å; H137-I141 PolarHBondContact O-N 2.58Å; Y138-I141 PolarHBondContact O-N 2.95Å; I141-F143 PolarHBondContact O-N 3.04Å; I141-F144 PolarHBondContact O-N 3.42Å; I141-I145 HydrophobicContact CG2-CD1 3.93Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.25Å; I141-I145 VanDerWaalsContact O-N 3.13Å |
| 142 | F | 86.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.4 | -52.9 | 177.6 | 170.1 | -81.8 | 0 | 0 | 0 | 111.2 | V12 S13 F16 W109 K112 L116 Y138 F139 F144 I145 F146 | V12-F142 HydrophobicContact CG1-CD2 4.1Å; V12-F142 HydrophobicContact CG1-CE2 3.93Å; S13-F142 WeakPolarHBondContact OG-CA 3.29Å; F16-F142 HydrophobicContact CB-CE2 3.83Å; F16-F142 HydrophobicContact CB-CZ 3.94Å; F16-F142 AromaticContact CD1-CE2 3.99Å; F16-F142 HydrophobicContact CD1-CE2 3.99Å; F16-F142 AromaticContact CD1-CZ 3.56Å; F16-F142 HydrophobicContact CD1-CZ 3.56Å; F16-F142 HydrophobicContact CD2-CE2 4.03Å; F16-F142 HydrophobicContact CD2-CZ 4.44Å; F16-F142 HydrophobicContact CE1-CZ 4.11Å; F16-F142 AromaticContact CG-CE2 3.69Å; F16-F142 HydrophobicContact CG-CE2 3.69Å; F16-F142 AromaticContact CG-CZ 3.73Å; F16-F142 HydrophobicContact CG-CZ 3.73Å; W109-F142 HydrophobicContact CZ3-CE1 4.09Å; W109-F142 HydrophobicContact CZ3-CZ 4.19Å; K112-F142 HydrophobicContact CD-CE1 4.02Å; K112-F142 HydrophobicContact CD-CE2 3.88Å; K112-F142 HydrophobicContact CD-CZ 3.59Å; K112-F142 HydrophobicContact CG-CD2 4.38Å; K112-F142 HydrophobicContact CG-CE2 3.75Å; K112-F142 HydrophobicContact CG-CZ 3.97Å; L116-F142 HydrophobicContact CD1-CB 3.8Å; L116-F142 HydrophobicContact CD1-CD2 4.16Å; L116-F142 HydrophobicContact CD1-CG 3.95Å; Y138-F142 WeakPolarHBondContact O-CB 3.28Å; Y138-F142 PolarHBondContact O-N 3.45Å; F139-F142 PolarHBondContact O-N 3.11Å; F142-F144 VanDerWaalsContact C-N 3.31Å; F142-F144 PolarHBondContact O-N 3.07Å; F142-I145 PolarHBondContact O-N 2.93Å; F142-F146 HydrophobicContact CD1-CB 4.2Å; F142-F146 HydrophobicContact CE1-CB 3.76Å; F142-F146 HydrophobicContact CE1-CD1 4.21Å; F142-F146 AromaticContact CE1-CG 3.9Å; F142-F146 HydrophobicContact CE1-CG 3.9Å; F142-F146 HydrophobicContact CZ-CB 3.99Å; F142-F146 HydrophobicContact CZ-CD2 4.37Å; F142-F146 HydrophobicContact CZ-CG 4.14Å; F142-F146 WeakPolarHBondContact O-CB 3.46Å; F142-F146 PolarHBondContact O-N 2.94Å |
| 143 | F | 78.5 | Confident | 82.8 | Confident | 82 Ų | 82 | 48 Ų | 48 | 36% | 0.36 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.8 | -35.5 | -174.8 | -83.3 | -65.4 | 0 | 0 | 0 | 111.6 | W109 F139 G140 I141 F146 Q147 | W109-F143 HydrophobicContact CZ3-CE1 4.5Å; F139-F143 HydrophobicContact CD1-CD2 4.46Å; F139-F143 AromaticContact CD1-CE2 3.9Å; F139-F143 HydrophobicContact CD1-CE2 3.9Å; F139-F143 VanDerWaalsContact O-CD2 3.23Å; F139-F143 WeakPolarHBondContact O-CD2 3.19Å; F139-F143 PolarHBondContact O-N 3.43Å; G140-F143 PolarHBondContact O-N 3.41Å; I141-F143 PolarHBondContact O-N 3.04Å; F143-F146 AromaticContact CD1-CD1 4Å; F143-F146 HydrophobicContact CD1-CD1 4Å; F143-F146 HydrophobicContact CD1-CE1 4.48Å; F143-Q147 WeakPolarHBondContact O-CB 3.35Å; F143-Q147 PolarHBondContact O-N 3.26Å |
| 144 | F | 79.9 | Confident | 83.6 | Confident | 141 Ų | 141 | 43.4 Ų | 43.4 | 62% | 0.618 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -58.5 | -49 | 173.9 | 177 | -102.3 | 0 | 0 | 0 | 112.3 | G140 I141 F142 | G140-F144 WeakPolarHBondContact O-CB 3.14Å; G140-F144 PolarHBondContact O-N 2.87Å; I141-F144 PolarHBondContact O-N 3.42Å; F142-F144 VanDerWaalsContact C-N 3.31Å; F142-F144 PolarHBondContact O-N 3.07Å |
| 145 | I | 86.9 | Confident | 84.1 | Confident | 31 Ų | 31 | 44.8 Ų | 44.8 | 16% | 0.159 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.2 | -47.6 | 179.8 | -64.2 | 171.9 | 0 | 0 | 0 | 110.4 | L10 L17 I141 F142 Q147 S148 | L10-I145 HydrophobicContact CD2-CD1 3.91Å; L17-I145 HydrophobicContact CB-CG2 4.14Å; L17-I145 HydrophobicContact CD2-CG2 3.91Å; I141-I145 HydrophobicContact CG2-CD1 3.93Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.25Å; I141-I145 VanDerWaalsContact O-N 3.13Å; F142-I145 PolarHBondContact O-N 2.93Å; I145-Q147 PolarHBondContact O-N 3.47Å; I145-S148 PolarHBondContact O-N 3.5Å; I145-S148 PolarHBondContact O-OG 3.48Å |
| 146 | F | 83.5 | Confident | 84.8 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 8% | 0.083 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | -178.7 | 157.3 | -97.3 | 0 | 0 | 0 | 112.6 | F16 F20 W109 F142 F143 S148 S149 | F16-F146 HydrophobicContact CB-CD2 4.13Å; F16-F146 HydrophobicContact CD1-CD2 4.44Å; F20-F146 HydrophobicContact CB-CD2 4.36Å; F20-F146 HydrophobicContact CB-CE2 3.85Å; F20-F146 AromaticContact CD1-CE2 3.73Å; F20-F146 HydrophobicContact CD1-CE2 3.73Å; F20-F146 HydrophobicContact CD1-CZ 4.16Å; F20-F146 HydrophobicContact CD2-CD2 4.12Å; F20-F146 AromaticContact CD2-CE2 3.53Å; F20-F146 HydrophobicContact CD2-CE2 3.53Å; F20-F146 HydrophobicContact CE1-CE2 4.12Å; F20-F146 HydrophobicContact CE1-CZ 4.38Å; F20-F146 AromaticContact CE2-CE2 3.91Å; F20-F146 HydrophobicContact CE2-CE2 3.91Å; F20-F146 HydrophobicContact CG-CD2 4.24Å; F20-F146 AromaticContact CG-CE2 3.42Å; F20-F146 HydrophobicContact CG-CE2 3.42Å; F20-F146 VanDerWaalsContact CG-CE2 3.42Å; F20-F146 HydrophobicContact CG-CZ 4.28Å; F20-F146 HydrophobicContact CZ-CE2 4.2Å; W109-F146 HydrophobicContact CH2-CD1 4.4Å; W109-F146 HydrophobicContact CH2-CD2 4.25Å; W109-F146 AromaticContact CH2-CE1 3.84Å; W109-F146 HydrophobicContact CH2-CE1 3.84Å; W109-F146 AromaticContact CH2-CE2 3.61Å; W109-F146 HydrophobicContact CH2-CE2 3.61Å; W109-F146 AromaticContact CH2-CZ 3.41Å; W109-F146 HydrophobicContact CH2-CZ 3.41Å; W109-F146 VanDerWaalsContact CH2-CZ 3.41Å; W109-F146 AromaticContact CZ2-CE2 3.94Å; W109-F146 HydrophobicContact CZ2-CE2 3.94Å; W109-F146 AromaticContact CZ2-CZ 3.78Å; W109-F146 HydrophobicContact CZ2-CZ 3.78Å; F142-F146 HydrophobicContact CD1-CB 4.2Å; F142-F146 HydrophobicContact CE1-CB 3.76Å; F142-F146 HydrophobicContact CE1-CD1 4.21Å; F142-F146 AromaticContact CE1-CG 3.9Å; F142-F146 HydrophobicContact CE1-CG 3.9Å; F142-F146 HydrophobicContact CZ-CB 3.99Å; F142-F146 HydrophobicContact CZ-CD2 4.37Å; F142-F146 HydrophobicContact CZ-CG 4.14Å; F142-F146 WeakPolarHBondContact O-CB 3.46Å; F142-F146 PolarHBondContact O-N 2.94Å; F143-F146 AromaticContact CD1-CD1 4Å; F143-F146 HydrophobicContact CD1-CD1 4Å; F143-F146 HydrophobicContact CD1-CE1 4.48Å; F146-S148 PolarHBondContact O-N 3.27Å; F146-S149 WeakPolarHBondContact O-CB 3.27Å; F146-S149 PolarHBondContact O-N 3.2Å; F146-S149 PolarHBondContact O-OG 3Å |
| 147 | Q | 80.3 | Confident | 85.5 | Confident | 41 Ų | 41 | 42.3 Ų | 42.3 | 19% | 0.192 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.6 | -27.5 | -175.1 | -158.8 | 69.8 | 21.7 | 0 | 0 | 111.9 | F143 I145 S149 A150 N309 S310 | F143-Q147 WeakPolarHBondContact O-CB 3.35Å; F143-Q147 PolarHBondContact O-N 3.26Å; I145-Q147 PolarHBondContact O-N 3.47Å; Q147-S149 PolarHBondContact O-N 2.99Å; Q147-S149 VanDerWaalsContact O-N 3.1Å; Q147-A150 PolarHBondContact O-N 3.35Å; Q147-N309 PolarHBondContact NE2-ND2 3.25Å; Q147-S310 WeakPolarHBondContact CB-OG 3.4Å; Q147-S310 WeakPolarHBondContact CG-OG 3.32Å |
| 148 | S | 84.4 | Confident | 85.9 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.4 | 173.8 | 79 | 0 | 0 | 0 | 0 | 113.5 | L17 I145 F146 A150 V151 W152 | L17-S148 WeakPolarHBondContact CD1-OG 3.34Å; I145-S148 PolarHBondContact O-N 3.5Å; I145-S148 PolarHBondContact O-OG 3.48Å; F146-S148 PolarHBondContact O-N 3.27Å; S148-A150 PolarHBondContact O-N 2.98Å; S148-V151 WeakPolarHBondContact O-CB 3.29Å; S148-V151 PolarHBondContact O-N 3.03Å; S148-W152 PolarHBondContact O-N 3.04Å |
| 149 | S | 89.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 41 Ų | 41 | 4% | 0.035 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.9 | -33 | 174.4 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | L17 F20 F146 Q147 V151 W152 G153 | L17-S149 VanDerWaalsContact CD1-CA 3.45Å; L17-S149 WeakPolarHBondContact O-CB 3.44Å; F20-S149 WeakPolarHBondContact CB-OG 3.37Å; F146-S149 WeakPolarHBondContact O-CB 3.27Å; F146-S149 PolarHBondContact O-N 3.2Å; F146-S149 PolarHBondContact O-OG 3Å; Q147-S149 PolarHBondContact O-N 2.99Å; Q147-S149 VanDerWaalsContact O-N 3.1Å; S149-V151 PolarHBondContact O-N 3.18Å; S149-W152 PolarHBondContact O-N 3.27Å; S149-G153 PolarHBondContact O-N 3.16Å |
| 150 | A | 86.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 39.9 Ų | 39.9 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -29.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q147 S148 N154 | Q147-A150 PolarHBondContact O-N 3.35Å; S148-A150 PolarHBondContact O-N 2.98Å; A150-N154 VanDerWaalsContact O-CB 3.32Å; A150-N154 WeakPolarHBondContact O-CB 3.34Å; A150-N154 PolarHBondContact O-ND2 3.17Å |
| 151 | V | 88.9 | Confident | 87.1 | Confident | 32 Ų | 32 | 38 Ų | 38 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.4 | -54 | 175.4 | 173.6 | 0 | 0 | 0 | 0 | 109.6 | S148 S149 G153 L155 M303 A307 | S148-V151 WeakPolarHBondContact O-CB 3.29Å; S148-V151 PolarHBondContact O-N 3.03Å; S149-V151 PolarHBondContact O-N 3.18Å; V151-G153 PolarHBondContact O-N 3.26Å; V151-L155 WeakPolarHBondContact O-CB 3.36Å; V151-L155 PolarHBondContact O-N 3.13Å; V151-M303 HydrophobicContact CB-CG 4.29Å; V151-M303 HydrophobicContact CG1-CG 3.81Å; V151-M303 HydrophobicContact CG1-SD 4.18Å; V151-M303 HydrophobicContact CG2-CG 4.41Å; V151-A307 HydrophobicContact CG2-CB 4.22Å |
| 152 | W | 91.3 | Very high | 86.9 | Confident | 141 Ų | 141 | 38.6 Ų | 38.6 | 53% | 0.534 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -66.1 | -40.4 | -174.8 | -58.8 | 113 | 0 | 0 | 0 | 113.2 | T21 S148 S149 L155 M156 | T21-W152 HydrophobicContact CG2-CB 3.89Å; S148-W152 PolarHBondContact O-N 3.04Å; S149-W152 PolarHBondContact O-N 3.27Å; W152-L155 HydrophobicContact CE3-CD2 4.34Å; W152-L155 HydrophobicContact CZ3-CD2 4.38Å; W152-L155 PolarHBondContact O-N 3.38Å; W152-M156 WeakPolarHBondContact O-CB 3.45Å; W152-M156 PolarHBondContact O-N 2.87Å |
| 153 | G | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -42.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | T21 S149 V151 S157 Y214 | T21-G153 WeakPolarHBondContact O-CA 3.46Å; S149-G153 PolarHBondContact O-N 3.16Å; V151-G153 PolarHBondContact O-N 3.26Å; G153-S157 PolarHBondContact O-N 3.36Å; G153-S157 PolarHBondContact O-OG 2.74Å; G153-Y214 PolarHBondContact O-OH 3.43Å |
| 154 | N | 90.9 | Very high | 86.7 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -79 | -30.6 | 179.3 | -75.6 | -55.9 | 0 | 0 | 0 | 112.9 | S28 A150 S157 S158 G299 M302 M303 | S28-N154 WeakPolarHBondContact CB-OD1 3.43Å; S28-N154 PolarHBondContact OG-OD1 3.24Å; A150-N154 VanDerWaalsContact O-CB 3.32Å; A150-N154 WeakPolarHBondContact O-CB 3.34Å; A150-N154 PolarHBondContact O-ND2 3.17Å; N154-S157 WeakPolarHBondContact CA-OG 3.49Å; N154-S157 PolarHBondContact O-OG 3.34Å; N154-S158 PolarHBondContact O-N 2.92Å; N154-S158 PolarHBondContact O-OG 2.76Å; N154-G299 VanDerWaalsContact CB-O 3.31Å; N154-G299 WeakPolarHBondContact CB-O 3.43Å; N154-G299 CarbonylContact O-C 3.58Å; N154-G299 VanDerWaalsContact O-CA 3.3Å; N154-G299 WeakPolarHBondContact O-CA 3.43Å; N154-M302 HydrophobicContact CB-CB 4.28Å; N154-M303 HydrophobicContact CB-CB 4.39Å |
| 155 | L | 90.1 | Very high | 85.8 | Confident | 43 Ų | 43 | 41.1 Ų | 41.1 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 170 | -178.9 | 61.4 | 0 | 0 | 0 | 110.8 | V151 W152 S157 S158 L159 Y300 M303 | V151-L155 WeakPolarHBondContact O-CB 3.36Å; V151-L155 PolarHBondContact O-N 3.13Å; W152-L155 HydrophobicContact CE3-CD2 4.34Å; W152-L155 HydrophobicContact CZ3-CD2 4.38Å; W152-L155 PolarHBondContact O-N 3.38Å; L155-S157 PolarHBondContact O-N 3.33Å; L155-S158 PolarHBondContact O-N 2.95Å; L155-L159 HydrophobicContact CD1-CD1 3.99Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 3.89Å; L155-L159 HydrophobicContact CG-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CB 3.14Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.45Å; L155-Y300 HydrophobicContact CD1-CE1 4.26Å; L155-M303 HydrophobicContact CB-SD 4.26Å; L155-M303 HydrophobicContact CD1-SD 4.2Å |
| 156 | M | 91.1 | Very high | 84.6 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 35% | 0.345 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 177.9 | -176.1 | 69.9 | 84.9 | 0 | 0 | 111.9 | W152 I160 L210 Y214 | W152-M156 WeakPolarHBondContact O-CB 3.45Å; W152-M156 PolarHBondContact O-N 2.87Å; M156-I160 HydrophobicContact CG-CD1 4.01Å; M156-I160 WeakPolarHBondContact O-CG1 3.3Å; M156-I160 PolarHBondContact O-N 2.83Å; M156-I160 HydrophobicContact SD-CD1 3.93Å; M156-L210 HydrophobicContact CG-CD1 4.3Å; M156-Y214 HydrophobicContact CB-CE1 4.41Å; M156-Y214 HydrophobicContact CG-CE1 4.24Å |
| 157 | S | 89.5 | Confident | 83.6 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 177.9 | 48.2 | 0 | 0 | 0 | 0 | 113 | G153 N154 L155 I160 F161 Y214 | G153-S157 PolarHBondContact O-N 3.36Å; G153-S157 PolarHBondContact O-OG 2.74Å; N154-S157 WeakPolarHBondContact CA-OG 3.49Å; N154-S157 PolarHBondContact O-OG 3.34Å; L155-S157 PolarHBondContact O-N 3.33Å; S157-I160 PolarHBondContact O-N 3.46Å; S157-F161 WeakPolarHBondContact O-CB 3.43Å; S157-F161 PolarHBondContact O-N 3.33Å; S157-Y214 WeakPolarHBondContact CB-OH 3.45Å |
| 158 | S | 88.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | -177.6 | -49.9 | 0 | 0 | 0 | 0 | 112.3 | N154 L155 I160 G162 H296 G299 Y300 | N154-S158 PolarHBondContact O-N 2.92Å; N154-S158 PolarHBondContact O-OG 2.76Å; L155-S158 PolarHBondContact O-N 2.95Å; S158-I160 VanDerWaalsContact C-N 3.35Å; S158-G162 WeakPolarHBondContact O-CA 3.39Å; S158-G162 PolarHBondContact O-N 3.36Å; S158-H296 WeakPolarHBondContact CB-O 3.34Å; S158-G299 WeakPolarHBondContact OG-CA 3.37Å; S158-G299 PolarHBondContact OG-N 2.99Å; S158-Y300 PolarHBondContact OG-N 2.98Å |
| 159 | L | 89.6 | Confident | 81.6 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 177.4 | -70.8 | 175.8 | 0 | 0 | 0 | 112.4 | L155 | L155-L159 HydrophobicContact CD1-CD1 3.99Å; L155-L159 HydrophobicContact CD1-CG 4.02Å; L155-L159 HydrophobicContact CG-CD1 3.89Å; L155-L159 HydrophobicContact CG-CG 4.34Å; L155-L159 WeakPolarHBondContact O-CB 3.14Å; L155-L159 WeakPolarHBondContact O-CG 3.28Å; L155-L159 PolarHBondContact O-N 3.45Å |
| 160 | I | 90.4 | Very high | 80.7 | Confident | 13 Ų | 13 | 57.8 Ų | 57.8 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -74.3 | -47.4 | 178 | -68.7 | 171.9 | 0 | 0 | 0 | 110.5 | M156 S157 S158 G162 Q163 L206 T209 L210 | M156-I160 HydrophobicContact CG-CD1 4.01Å; M156-I160 WeakPolarHBondContact O-CG1 3.3Å; M156-I160 PolarHBondContact O-N 2.83Å; M156-I160 HydrophobicContact SD-CD1 3.93Å; S157-I160 PolarHBondContact O-N 3.46Å; S158-I160 VanDerWaalsContact C-N 3.35Å; I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 PolarHBondContact O-N 3.5Å; I160-Q163 WeakPolarHBondContact O-CB 3.47Å; I160-Q163 PolarHBondContact O-N 3.31Å; I160-L206 HydrophobicContact CG2-CB 4.29Å; I160-L206 HydrophobicContact CG2-CD2 4.35Å; I160-T209 HydrophobicContact CD1-CG2 4.45Å; I160-L210 HydrophobicContact CD1-CB 4.27Å; I160-L210 HydrophobicContact CD1-CD1 3.78Å; I160-L210 HydrophobicContact CG2-CB 4.19Å |
| 161 | F | 86.4 | Confident | 80.1 | Confident | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.3 | -23.8 | 179.2 | -68.1 | -25.6 | 0 | 0 | 0 | 113.7 | L29 L33 S157 Q163 D164 P202 L206 I207 L210 I295 H296 | L29-F161 HydrophobicContact CD1-CD2 4.44Å; L29-F161 HydrophobicContact CD1-CE2 3.62Å; L29-F161 HydrophobicContact CD1-CZ 4.36Å; L29-F161 HydrophobicContact CD2-CD2 4.33Å; L29-F161 HydrophobicContact CD2-CE2 3.95Å; L29-F161 HydrophobicContact CG-CE2 4.41Å; L33-F161 HydrophobicContact CD1-CZ 4.2Å; S157-F161 WeakPolarHBondContact O-CB 3.43Å; S157-F161 PolarHBondContact O-N 3.33Å; F161-Q163 PolarHBondContact O-N 3.4Å; F161-D164 WeakPolarHBondContact O-CB 3.21Å; F161-D164 PolarHBondContact O-N 3.27Å; F161-D164 VanDerWaalsContact O-N 3.15Å; F161-P202 HydrophobicContact CD1-CB 4.04Å; F161-P202 HydrophobicContact CD1-CG 4.25Å; F161-P202 HydrophobicContact CE1-CB 4.04Å; F161-P202 HydrophobicContact CE1-CG 4.23Å; F161-P202 HydrophobicContact CG-CG 4.46Å; F161-P202 HydrophobicContact CZ-CG 4.39Å; F161-L206 HydrophobicContact CD1-CB 4.09Å; F161-L206 HydrophobicContact CE1-CB 4.29Å; F161-I207 HydrophobicContact CE1-CG1 4.17Å; F161-I207 HydrophobicContact CZ-CG1 4.44Å; F161-L210 HydrophobicContact CE1-CD2 3.99Å; F161-L210 HydrophobicContact CE2-CD2 3.73Å; F161-L210 HydrophobicContact CZ-CD2 3.4Å; F161-I295 HydrophobicContact CD2-CG1 4.43Å; F161-I295 HydrophobicContact CE2-CD1 4.32Å; F161-I295 HydrophobicContact CE2-CG1 4.44Å; F161-H296 HydrophobicContact CB-CB 4.05Å |
| 162 | G | 82.3 | Confident | 79.5 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -8.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | S158 I160 D164 | S158-G162 WeakPolarHBondContact O-CA 3.39Å; S158-G162 PolarHBondContact O-N 3.36Å; I160-G162 VanDerWaalsContact C-N 3.33Å; I160-G162 PolarHBondContact O-N 3.5Å; G162-D164 VanDerWaalsContact C-N 3.29Å |
| 163 | Q | 82.1 | Confident | 78.6 | Confident | 140 Ų | 140 | 64.7 Ų | 64.7 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -7.6 | 173 | -62.3 | 176.5 | 8.2 | 0 | 0 | 113 | I160 F161 S165 L206 | I160-Q163 WeakPolarHBondContact O-CB 3.47Å; I160-Q163 PolarHBondContact O-N 3.31Å; F161-Q163 PolarHBondContact O-N 3.4Å; Q163-S165 PolarHBondContact O-N 3.34Å; Q163-L206 HydrophobicContact CB-CD2 4.26Å |
| 164 | D | 77.4 | Confident | 77.8 | Confident | 27 Ų | 27 | 67.4 Ų | 67.4 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | trans | -70.5 | 117 | 177.8 | -153.9 | -27.9 | 0 | 0 | 0 | 109.9 | F161 G162 N166 A203 L206 | F161-D164 WeakPolarHBondContact O-CB 3.21Å; F161-D164 PolarHBondContact O-N 3.27Å; F161-D164 VanDerWaalsContact O-N 3.15Å; G162-D164 VanDerWaalsContact C-N 3.29Å; D164-N166 PolarHBondContact O-N 2.94Å; D164-N166 PolarHBondContact OD1-N 3.02Å; D164-N166 PolarHBondContact OD1-ND2 3.12Å; D164-A203 PolarHBondContact OD2-N 3.28Å; D164-L206 HydrophobicContact CB-CD1 3.71Å | ||
| 165 | S | 61.8 | Low | 77.3 | Confident | 110 Ų | 110 | 68 Ų | 68 | 77% | 0.769 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -78.8 | -8.6 | 179.8 | 58.6 | 0 | 0 | 0 | 0 | 113 | Q163 I167 | Q163-S165 PolarHBondContact O-N 3.34Å; S165-I167 VanDerWaalsContact C-N 3.34Å; S165-I167 PolarHBondContact O-N 3.41Å |
| 166 | N | 61.8 | Low | 76.7 | Confident | 110 Ų | 110 | 69.3 Ų | 69.3 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | trans | -94.1 | 58.4 | 179.5 | -57.4 | -62.2 | 0 | 0 | 0 | 111 | D164 A168 | D164-N166 PolarHBondContact O-N 2.94Å; D164-N166 PolarHBondContact OD1-N 3.02Å; D164-N166 PolarHBondContact OD1-ND2 3.12Å; N166-A168 VanDerWaalsContact C-N 3.31Å; N166-A168 PolarHBondContact O-N 2.93Å | ||
| 167 | I | 61.3 | Low | 76.3 | Confident | 114 Ų | 114 | 69.3 Ų | 69.3 | 59% | 0.585 | 39% | 0.394 | S | S | * | . | trans | -73.3 | 94.1 | 170.3 | -55.3 | 175.6 | 0 | 0 | 0 | 106.7 | S165 N169 | S165-I167 VanDerWaalsContact C-N 3.34Å; S165-I167 PolarHBondContact O-N 3.41Å; I167-N169 PolarHBondContact O-N 3.15Å | ||
| 168 | A | 58.5 | Low | 76.2 | Confident | 42 Ų | 42 | 69.4 Ų | 69.4 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 128.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | N166 I170 | N166-A168 VanDerWaalsContact C-N 3.31Å; N166-A168 PolarHBondContact O-N 2.93Å; A168-I170 PolarHBondContact O-N 3.43Å |
| 169 | N | 64.6 | Low | 76.1 | Confident | 154 Ų | 154 | 69.4 Ų | 69.4 | 82% | 0.824 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 117.8 | 166.4 | -76.9 | -27.4 | 0 | 0 | 0 | 107.8 | I167 P171 | I167-N169 PolarHBondContact O-N 3.15Å; N169-P171 WeakPolarHBondContact O-CD 3.36Å |
| 170 | I | 71 | Confident | 76 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 117.3 | 179.6 | -60.5 | 159.7 | 0 | 0 | 0 | 106.9 | A168 I174 A292 | A168-I170 PolarHBondContact O-N 3.43Å; I170-I174 HydrophobicContact CG2-CB 4.23Å; I170-I174 HydrophobicContact CG2-CG2 4.16Å; I170-A292 VanDerWaalsContact CD1-O 3.29Å; I170-A292 WeakPolarHBondContact CD1-O 3.27Å |
| 171 | P | 74.3 | Confident | 75.6 | Confident | 47 Ų | 47 | 69.8 Ų | 69.8 | 31% | 0.305 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 146.9 | -179.3 | 24.2 | -31.9 | 0 | 0 | 0 | 111.3 | N169 D173 I174 L175 | N169-P171 WeakPolarHBondContact O-CD 3.36Å; P171-D173 PolarHBondContact O-N 3.01Å; P171-D173 VanDerWaalsContact O-N 3.14Å; P171-I174 HydrophobicContact CG-CB 4.38Å; P171-I174 HydrophobicContact CG-CD1 3.64Å; P171-I174 HydrophobicContact CG-CG1 3.92Å; P171-I174 PolarHBondContact O-N 3.31Å; P171-I174 VanDerWaalsContact O-N 3.08Å; P171-L175 PolarHBondContact O-N 3.26Å |
| 172 | E | 75.1 | Confident | 75.1 | Confident | 155 Ų | 155 | 70 Ų | 70 | 72% | 0.724 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -57.1 | -31 | -177 | -71.5 | -175.3 | 177 | 0 | 0 | 112.9 | I174 L175 S176 | E172-I174 PolarHBondContact O-N 3.37Å; E172-L175 WeakPolarHBondContact O-CB 3.4Å; E172-L175 PolarHBondContact O-N 3.19Å; E172-S176 PolarHBondContact O-N 2.99Å |
| 173 | D | 72 | Confident | 74.6 | Confident | 132 Ų | 132 | 70.5 Ų | 70.5 | 71% | 0.706 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.3 | -42.7 | 178.1 | -54.4 | -41.9 | 0 | 0 | 0 | 111.9 | P171 S176 | P171-D173 PolarHBondContact O-N 3.01Å; P171-D173 VanDerWaalsContact O-N 3.14Å; D173-S176 PolarHBondContact O-OG 3.11Å |
| 174 | I | 75.5 | Confident | 73.6 | Confident | 56 Ų | 56 | 66.8 Ų | 66.8 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -70 | -40.6 | 177 | -64.8 | 178.2 | 0 | 0 | 0 | 109.7 | I170 P171 E172 S176 T177 C178 | I170-I174 HydrophobicContact CG2-CB 4.23Å; I170-I174 HydrophobicContact CG2-CG2 4.16Å; P171-I174 HydrophobicContact CG-CB 4.38Å; P171-I174 HydrophobicContact CG-CD1 3.64Å; P171-I174 HydrophobicContact CG-CG1 3.92Å; P171-I174 PolarHBondContact O-N 3.31Å; P171-I174 VanDerWaalsContact O-N 3.08Å; E172-I174 PolarHBondContact O-N 3.37Å; I174-S176 PolarHBondContact O-N 3.5Å; I174-T177 PolarHBondContact O-N 2.84Å; I174-T177 PolarHBondContact O-OG1 3.2Å; I174-C178 PolarHBondContact O-N 3.02Å; I174-C178 PolarHBondContact O-SG 3.37Å |
| 175 | L | 80.6 | Confident | 72.1 | Confident | 16 Ų | 16 | 71 Ų | 71 | 8% | 0.084 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61 | -33.5 | -179.5 | -166.4 | 64.7 | 0 | 0 | 0 | 112.6 | P171 E172 T177 C178 A292 P348 H349 P350 | P171-L175 PolarHBondContact O-N 3.26Å; E172-L175 WeakPolarHBondContact O-CB 3.4Å; E172-L175 PolarHBondContact O-N 3.19Å; L175-T177 PolarHBondContact O-N 2.64Å; L175-C178 WeakPolarHBondContact O-CB 3.13Å; L175-C178 PolarHBondContact O-N 3.1Å; L175-A292 HydrophobicContact CD1-CB 3.62Å; L175-P348 VanDerWaalsContact CD1-O 3.26Å; L175-P348 WeakPolarHBondContact CD1-O 3.37Å; L175-H349 HydrophobicContact CD2-CB 4.48Å; L175-H349 WeakPolarHBondContact CD2-CD2 3.27Å; L175-P350 HydrophobicContact CD2-CG 4.46Å |
| 176 | S | 77.6 | Confident | 71.2 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -23.3 | 175.9 | 80.9 | 0 | 0 | 0 | 0 | 113.9 | E172 D173 I174 | E172-S176 PolarHBondContact O-N 2.99Å; D173-S176 PolarHBondContact O-OG 3.11Å; I174-S176 PolarHBondContact O-N 3.5Å |
| 177 | T | 81.5 | Confident | 70 | Confident | 70 Ų | 70 | 72.1 Ų | 72.1 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -8 | 179.5 | 66.9 | 0 | 0 | 0 | 0 | 113.6 | I174 L175 H181 G182 | I174-T177 PolarHBondContact O-N 2.84Å; I174-T177 PolarHBondContact O-OG1 3.2Å; L175-T177 PolarHBondContact O-N 2.64Å; T177-H181 CarbonylContact O-C 3.58Å; T177-G182 WeakPolarHBondContact O-CA 3.46Å; T177-G182 PolarHBondContact O-N 2.92Å |
| 178 | C | 87.1 | Confident | 68.6 | Low | 3 Ų | 3 | 74.7 Ų | 74.7 | 2% | 0.02 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -70.4 | 160.3 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 112.1 | I174 L175 C291 P348 | I174-C178 PolarHBondContact O-N 3.02Å; I174-C178 PolarHBondContact O-SG 3.37Å; L175-C178 WeakPolarHBondContact O-CB 3.13Å; L175-C178 PolarHBondContact O-N 3.1Å; C178-C291 WeakPolarHBondContact CA-SG 3.34Å; C178-C291 HydrophobicContact CB-CB 3.76Å; C178-C291 WeakPolarHBondContact CB-SG 3.46Å; C178-C291 WeakPolarHBondContact SG-CB 3.25Å; C178-C291 PolarHBondContact SG-O 3.42Å; C178-C291 CovalentContact SG-SG 2.03Å; C178-C291 PolarHBondContact SG-SG 3.42Å; C178-P348 HydrophobicContact CB-CG 3.53Å |
| 179 | G | 88.1 | Confident | 67.3 | Low | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | 81.2 | -137.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | H181 G182 N287 Y288 | G179-H181 PolarHBondContact O-N 2.91Å; G179-G182 PolarHBondContact O-N 3.45Å; G179-G182 VanDerWaalsContact O-N 3.08Å; G179-N287 PolarHBondContact N-O 3.5Å; G179-Y288 VanDerWaalsContact CA-CZ 3.47Å |
| 180 | A | 86.9 | Confident | 65.8 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 3% | 0.025 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -61.7 | -29.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G182 Y288 E414 L417 | A180-G182 PolarHBondContact O-N 3.42Å; A180-Y288 PolarHBondContact N-OH 3.43Å; A180-Y288 VanDerWaalsContact N-OH 3.16Å; A180-E414 WeakPolarHBondContact O-CB 3.29Å; A180-E414 PolarHBondContact O-N 3.47Å; A180-L417 HydrophobicContact CB-CD1 4.34Å |
| 181 | H | 80.9 | Confident | 64.1 | Low | 110 Ų | 110 | 78.5 Ų | 78.5 | 51% | 0.509 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -81.3 | -1.2 | 179.7 | -63.1 | 78.4 | 0 | 0 | 0 | 113.2 | T177 G179 C183 | T177-H181 CarbonylContact O-C 3.58Å; G179-H181 PolarHBondContact O-N 2.91Å; H181-C183 PolarHBondContact O-N 3.27Å |
| 182 | G | 76.7 | Confident | 62.2 | Low | 9 Ų | 9 | 84.3 Ų | 84.3 | 9% | 0.093 | 48% | 0.479 | C | S | . | . | trans | -64.6 | 102 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T177 G179 A180 V413 | T177-G182 WeakPolarHBondContact O-CA 3.46Å; T177-G182 PolarHBondContact O-N 2.92Å; G179-G182 PolarHBondContact O-N 3.45Å; G179-G182 VanDerWaalsContact O-N 3.08Å; A180-G182 PolarHBondContact O-N 3.42Å; G182-V413 VanDerWaalsContact O-CG2 3.29Å; G182-V413 WeakPolarHBondContact O-CG2 3.21Å; G182-V413 PolarHBondContact O-N 3.06Å | ||
| 183 | C | 72.6 | Confident | 60.1 | Low | 54 Ų | 54 | 80.7 Ų | 80.7 | 37% | 0.365 | 47% | 0.471 | S | S | . | . | trans | -94.2 | 151.1 | 160.5 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | H181 I185 C412 | H181-C183 PolarHBondContact O-N 3.27Å; C183-I185 HydrophobicContact CB-CD1 4.28Å; C183-I185 HydrophobicContact CB-CG1 4.02Å; C183-I185 PolarHBondContact O-N 2.9Å; C183-C412 HydrophobicContact CB-CB 3.95Å; C183-C412 WeakPolarHBondContact CB-SG 3.41Å; C183-C412 WeakPolarHBondContact SG-CB 3.32Å; C183-C412 CovalentContact SG-SG 2.02Å; C183-C412 PolarHBondContact SG-SG 3.22Å | ||
| 184 | G | 60.8 | Low | 58.5 | Low | 62 Ų | 62 | 80.9 Ų | 80.9 | 64% | 0.639 | 48% | 0.477 | S | S | * | . | trans | -65.3 | 53.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T186 | G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å | ||
| 185 | I | 46 | Very low | 56.7 | Low | 114 Ų | 114 | 85.7 Ų | 85.7 | 59% | 0.585 | 50% | 0.503 | S | S | * | . | trans | -75.1 | 101.5 | -177.6 | -57 | 169.1 | 0 | 0 | 0 | 107 | C183 L187 | C183-I185 HydrophobicContact CB-CD1 4.28Å; C183-I185 HydrophobicContact CB-CG1 4.02Å; C183-I185 PolarHBondContact O-N 2.9Å; I185-L187 VanDerWaalsContact C-N 3.33Å; I185-L187 HydrophobicContact CG2-CD2 4.16Å; I185-L187 HydrophobicContact CG2-CG 4.33Å; I185-L187 PolarHBondContact O-N 3.46Å; I185-L187 VanDerWaalsContact O-N 3.13Å | ||
| 186 | T | 42 | Very low | 54.5 | Low | 121 Ų | 121 | 87.8 Ų | 87.8 | 74% | 0.742 | 53% | 0.528 | S | S | * | . | trans | -51.9 | 109 | 137 | 38.4 | 0 | 0 | 0 | 0 | 106 | G184 E188 | G184-T186 PolarHBondContact O-N 3.41Å; G184-T186 VanDerWaalsContact O-N 3.12Å; T186-E188 PolarHBondContact O-N 2.87Å | ||
| 187 | L | 37.8 | Very low | 52.6 | Low | 123 Ų | 123 | 88.2 Ų | 88.2 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | trans | -61.8 | 88 | 167.7 | -73.1 | 163.3 | 0 | 0 | 0 | 106.5 | I185 T189 | I185-L187 VanDerWaalsContact C-N 3.33Å; I185-L187 HydrophobicContact CG2-CD2 4.16Å; I185-L187 HydrophobicContact CG2-CG 4.33Å; I185-L187 PolarHBondContact O-N 3.46Å; I185-L187 VanDerWaalsContact O-N 3.13Å; L187-T189 PolarHBondContact O-N 2.98Å | ||
| 188 | E | 31.8 | Very low | 50.7 | Low | 169 Ų | 169 | 90.1 Ų | 90.1 | 79% | 0.79 | 54% | 0.54 | S | S | * | . | trans | -68.2 | 80.6 | 152.1 | -75.5 | -166 | 165.8 | 0 | 0 | 105.8 | T186 N190 | T186-E188 PolarHBondContact O-N 2.87Å; E188-N190 PolarHBondContact O-N 3.5Å | ||
| 189 | T | 31.5 | Very low | 48.9 | Very low | 101 Ų | 101 | 94 Ų | 94 | 62% | 0.62 | 57% | 0.567 | S | S | * | * | trans | -68.6 | 90.5 | 165.5 | -26 | 0 | 0 | 0 | 0 | 106.4 | L187 S191 | L187-T189 PolarHBondContact O-N 2.98Å; T189-S191 PolarHBondContact O-N 3.41Å | ||
| 190 | N | 32.4 | Very low | 47.5 | Very low | 139 Ų | 139 | 96.7 Ų | 96.7 | 74% | 0.743 | 59% | 0.586 | S | S | * | * | trans | -60.2 | 119.9 | 158.1 | -85.9 | -37.7 | 0 | 0 | 0 | 107.6 | E188 | E188-N190 PolarHBondContact O-N 3.5Š| ||
| 191 | S | 35.1 | Very low | 46.9 | Very low | 93 Ų | 93 | 101.4 Ų | 101.4 | 65% | 0.65 | 60% | 0.603 | S | S | * | * | S | Bend | trans | 83.4 | 109 | 160 | -6.3 | 0 | 0 | 0 | 0 | 118.4 | T189 | T189-S191 PolarHBondContact O-N 3.41Š|
| 192 | N | 34.8 | Very low | 46.8 | Very low | 170 Ų | 170 | 96.5 Ų | 96.5 | 91% | 0.909 | 58% | 0.581 | S | S | * | * | trans | 63.5 | 49.4 | 137.7 | -62.7 | -5.4 | 0 | 0 | 0 | 119.9 | ||||
| 193 | S | 31.1 | Very low | 47.2 | Very low | 78 Ų | 78 | 98.2 Ų | 98.2 | 55% | 0.545 | 60% | 0.595 | S | S | . | * | trans | -137.3 | 92.5 | 154.5 | 57.7 | 0 | 0 | 0 | 0 | 110.2 | N195 | S193-N195 PolarHBondContact O-N 2.92Š| ||
| 194 | T | 37.3 | Very low | 47.8 | Very low | 136 Ų | 136 | 99.2 Ų | 99.2 | 83% | 0.834 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -51.9 | 126.7 | 153 | 27.3 | 0 | 0 | 0 | 0 | 108 | ||
| 195 | N | 38.4 | Very low | 49.2 | Very low | 157 Ų | 157 | 104.1 Ų | 104.1 | 84% | 0.84 | 60% | 0.597 | S | S | * | * | trans | 98.3 | 38 | -177.8 | -48.6 | -16.3 | 0 | 0 | 0 | 116.7 | S193 T197 | S193-N195 PolarHBondContact O-N 2.92Å; N195-T197 PolarHBondContact O-N 2.73Å | ||
| 196 | G | 33.5 | Very low | 51.3 | Low | 60 Ų | 60 | 99.6 Ų | 99.6 | 62% | 0.619 | 57% | 0.574 | S | S | * | * | trans | -76.3 | 99.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T198 | G196-T198 VanDerWaalsContact C-N 3.29Å; G196-T198 PolarHBondContact O-N 3.5Å | ||
| 197 | T | 37.9 | Very low | 53.6 | Low | 81 Ų | 81 | 94 Ų | 94 | 50% | 0.497 | 54% | 0.54 | S | S | . | . | trans | -67.4 | 85.2 | 170.8 | 47.4 | 0 | 0 | 0 | 0 | 109.9 | N195 | N195-T197 PolarHBondContact O-N 2.73Š| ||
| 198 | T | 42.9 | Very low | 56.2 | Low | 110 Ų | 110 | 93.9 Ų | 93.9 | 68% | 0.675 | 53% | 0.531 | S | S | * | . | trans | -58.8 | 137.7 | 159.6 | 43.2 | 0 | 0 | 0 | 0 | 108.2 | G196 S200 | G196-T198 VanDerWaalsContact C-N 3.29Å; G196-T198 PolarHBondContact O-N 3.5Å; T198-S200 WeakPolarHBondContact O-CA 3.27Å; T198-S200 PolarHBondContact O-N 3.15Å | ||
| 199 | S | 48 | Very low | 59.1 | Low | 83 Ų | 83 | 89 Ų | 89 | 58% | 0.58 | 51% | 0.513 | S | S | * | . | trans | -38.5 | 101.8 | 171.4 | 168.4 | 0 | 0 | 0 | 0 | 109.4 | R201 | S199-R201 PolarHBondContact O-N 3.4Š| ||
| 200 | S | 58.5 | Low | 62 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 41% | 0.406 | 48% | 0.483 | S | S | . | . | trans | -69 | 114.4 | -164.3 | 52.1 | 0 | 0 | 0 | 0 | 108.4 | T198 | T198-S200 WeakPolarHBondContact O-CA 3.27Å; T198-S200 PolarHBondContact O-N 3.15Å | ||
| 201 | R | 74 | Confident | 65 | Low | 101 Ų | 101 | 77.6 Ų | 77.6 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | trans | -45.4 | 130.6 | 168.3 | -179.9 | 177.7 | 178.5 | 151.9 | 4.8 | 108.2 | S199 I207 | S199-R201 PolarHBondContact O-N 3.4Å; R201-I207 HydrophobicContact CG-CD1 4.08Å | ||
| 202 | P | 80.7 | Confident | 67.9 | Low | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.052 | 44% | 0.436 | C | S | . | . | trans | -53.3 | 152.5 | -176.9 | -28.8 | 35.4 | 0 | 0 | 0 | 112.4 | F161 Q204 I207 I295 | F161-P202 HydrophobicContact CD1-CB 4.04Å; F161-P202 HydrophobicContact CD1-CG 4.25Å; F161-P202 HydrophobicContact CE1-CB 4.04Å; F161-P202 HydrophobicContact CE1-CG 4.23Å; F161-P202 HydrophobicContact CG-CG 4.46Å; F161-P202 HydrophobicContact CZ-CG 4.39Å; P202-Q204 PolarHBondContact O-N 3.31Å; P202-I207 HydrophobicContact CB-CD1 4.45Å; P202-I207 HydrophobicContact CB-CG1 4.17Å; P202-I207 WeakPolarHBondContact O-CD1 3.43Å; P202-I295 HydrophobicContact CG-CD1 4.31Å; P202-I295 HydrophobicContact CG-CG2 3.46Å; P202-I295 VanDerWaalsContact CG-CG2 3.46Å | ||
| 203 | A | 84.5 | Confident | 70.7 | Confident | 45 Ų | 45 | 69.1 Ų | 69.1 | 37% | 0.372 | 41% | 0.408 | S | S | . | . | trans | -49.8 | 132.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D164 K205 L206 I207 | D164-A203 PolarHBondContact OD2-N 3.28Å; A203-K205 PolarHBondContact O-N 2.66Å; A203-L206 HydrophobicContact CB-CD1 4.34Å; A203-L206 HydrophobicContact CB-CG 4.35Å; A203-L206 WeakPolarHBondContact O-CB 3.23Å; A203-L206 PolarHBondContact O-N 2.83Å; A203-I207 PolarHBondContact O-N 3.29Å | ||
| 204 | Q | 85.8 | Confident | 73.8 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -53.6 | -33.9 | -174.4 | -170.2 | 63.8 | 26.5 | 0 | 0 | 112.8 | P202 L206 I207 W208 | P202-Q204 PolarHBondContact O-N 3.31Å; Q204-L206 PolarHBondContact O-N 3.09Å; Q204-I207 PolarHBondContact O-N 3.23Å; Q204-W208 HydrophobicContact CG-CD2 4.2Å; Q204-W208 HydrophobicContact CG-CH2 4.38Å; Q204-W208 HydrophobicContact CG-CZ2 3.98Å; Q204-W208 PolarHBondContact O-N 2.98Å |
| 205 | K | 89 | Confident | 76.6 | Confident | 164 Ų | 164 | 60 Ų | 60 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -58.4 | -45 | 174.8 | -173.2 | -178.6 | 177.9 | -174.1 | 0 | 112.1 | A203 W208 T209 | A203-K205 PolarHBondContact O-N 2.66Å; K205-W208 PolarHBondContact O-N 3.33Å; K205-T209 PolarHBondContact O-N 2.78Å; K205-T209 PolarHBondContact O-OG1 2.97Å |
| 206 | L | 89.5 | Confident | 79.4 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 10% | 0.099 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 179.6 | -62.7 | 177.2 | 0 | 0 | 0 | 111.3 | I160 F161 Q163 D164 A203 Q204 T209 L210 | I160-L206 HydrophobicContact CG2-CB 4.29Å; I160-L206 HydrophobicContact CG2-CD2 4.35Å; F161-L206 HydrophobicContact CD1-CB 4.09Å; F161-L206 HydrophobicContact CE1-CB 4.29Å; Q163-L206 HydrophobicContact CB-CD2 4.26Å; D164-L206 HydrophobicContact CB-CD1 3.71Å; A203-L206 HydrophobicContact CB-CD1 4.34Å; A203-L206 HydrophobicContact CB-CG 4.35Å; A203-L206 WeakPolarHBondContact O-CB 3.23Å; A203-L206 PolarHBondContact O-N 2.83Å; Q204-L206 PolarHBondContact O-N 3.09Å; L206-T209 PolarHBondContact O-N 2.93Å; L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 PolarHBondContact O-N 3.46Å |
| 207 | I | 90.4 | Very high | 82.4 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.4 | -48.6 | 175.4 | -59.8 | 176 | 0 | 0 | 0 | 110.1 | L33 F161 R201 P202 A203 Q204 L210 L211 | L33-I207 HydrophobicContact CD1-CD1 3.81Å; L33-I207 HydrophobicContact CD1-CG1 4Å; L33-I207 HydrophobicContact CD1-CG2 4.47Å; L33-I207 HydrophobicContact CD2-CG2 4.46Å; F161-I207 HydrophobicContact CE1-CG1 4.17Å; F161-I207 HydrophobicContact CZ-CG1 4.44Å; R201-I207 HydrophobicContact CG-CD1 4.08Å; P202-I207 HydrophobicContact CB-CD1 4.45Å; P202-I207 HydrophobicContact CB-CG1 4.17Å; P202-I207 WeakPolarHBondContact O-CD1 3.43Å; A203-I207 PolarHBondContact O-N 3.29Å; Q204-I207 PolarHBondContact O-N 3.23Å; I207-L210 PolarHBondContact O-N 2.98Å; I207-L211 HydrophobicContact CG2-CD1 3.81Å; I207-L211 HydrophobicContact CG2-CG 4.39Å; I207-L211 WeakPolarHBondContact O-CB 3.23Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.47Å; I207-L211 PolarHBondContact O-N 2.74Å |
| 208 | W | 92.5 | Very high | 85.2 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 45% | 0.451 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.3 | -37.5 | 177.3 | -72.7 | -15.4 | 0 | 0 | 0 | 113.2 | L87 Y88 Q204 K205 G212 | L87-W208 PolarHBondContact O-NE1 3.35Å; Y88-W208 HydrophobicContact CE1-CZ2 4.43Å; Q204-W208 HydrophobicContact CG-CD2 4.2Å; Q204-W208 HydrophobicContact CG-CH2 4.38Å; Q204-W208 HydrophobicContact CG-CZ2 3.98Å; Q204-W208 PolarHBondContact O-N 2.98Å; K205-W208 PolarHBondContact O-N 3.33Å; W208-G212 PolarHBondContact O-N 3.48Å |
| 209 | T | 93.3 | Very high | 87.8 | Confident | 66 Ų | 66 | 47 Ų | 47 | 41% | 0.405 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -48.1 | 173.4 | -59.9 | 0 | 0 | 0 | 0 | 111 | I160 K205 L206 G212 C213 | I160-T209 HydrophobicContact CD1-CG2 4.45Å; K205-T209 PolarHBondContact O-N 2.78Å; K205-T209 PolarHBondContact O-OG1 2.97Å; L206-T209 PolarHBondContact O-N 2.93Å; T209-G212 PolarHBondContact O-N 3.45Å; T209-C213 PolarHBondContact O-N 3.3Å; T209-C213 PolarHBondContact O-SG 3.29Å |
| 210 | L | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.5 | -50.9 | 178.1 | 179.8 | 63.8 | 0 | 0 | 0 | 112 | L29 M156 I160 F161 L206 I207 G212 C213 Y214 | L29-L210 HydrophobicContact CD1-CD2 3.6Å; M156-L210 HydrophobicContact CG-CD1 4.3Å; I160-L210 HydrophobicContact CD1-CB 4.27Å; I160-L210 HydrophobicContact CD1-CD1 3.78Å; I160-L210 HydrophobicContact CG2-CB 4.19Å; F161-L210 HydrophobicContact CE1-CD2 3.99Å; F161-L210 HydrophobicContact CE2-CD2 3.73Å; F161-L210 HydrophobicContact CZ-CD2 3.4Å; L206-L210 WeakPolarHBondContact O-CB 3.4Å; L206-L210 PolarHBondContact O-N 3.46Å; I207-L210 PolarHBondContact O-N 2.98Å; L210-G212 VanDerWaalsContact C-N 3.33Å; L210-G212 PolarHBondContact O-N 3.49Å; L210-C213 WeakPolarHBondContact O-CB 3.34Å; L210-C213 PolarHBondContact O-N 3.24Å; L210-Y214 HydrophobicContact CD1-CD1 4.43Å; L210-Y214 HydrophobicContact CD1-CD2 4.29Å; L210-Y214 HydrophobicContact CD1-CE1 3.89Å; L210-Y214 HydrophobicContact CD1-CE2 3.7Å; L210-Y214 VanDerWaalsContact CD1-CZ 3.49Å; L210-Y214 HydrophobicContact CD2-CE2 3.99Å; L210-Y214 HydrophobicContact CG-CD2 4.06Å; L210-Y214 HydrophobicContact CG-CE2 3.65Å; L210-Y214 PolarHBondContact O-N 3.49Å |
| 211 | L | 94.2 | Very high | 91.9 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -37.8 | -179.9 | -67.7 | 173.4 | 0 | 0 | 0 | 111.8 | L26 N86 L87 I207 Y214 I215 | L26-L211 HydrophobicContact CD1-CD2 3.71Å; N86-L211 VanDerWaalsContact C-CD1 3.49Å; N86-L211 HydrophobicContact CB-CD1 4.12Å; N86-L211 HydrophobicContact CB-CD2 3.72Å; N86-L211 WeakPolarHBondContact O-CD1 3.07Å; L87-L211 HydrophobicContact CD2-CB 3.7Å; L87-L211 HydrophobicContact CD2-CD1 4.09Å; I207-L211 HydrophobicContact CG2-CD1 3.81Å; I207-L211 HydrophobicContact CG2-CG 4.39Å; I207-L211 WeakPolarHBondContact O-CB 3.23Å; I207-L211 VanDerWaalsContact O-CG 3.28Å; I207-L211 WeakPolarHBondContact O-CG 3.47Å; I207-L211 PolarHBondContact O-N 2.74Å; L211-Y214 PolarHBondContact O-N 3.49Å; L211-I215 WeakPolarHBondContact O-CB 3.13Å; L211-I215 VanDerWaalsContact O-CG1 3.25Å; L211-I215 WeakPolarHBondContact O-CG1 3.28Å; L211-I215 PolarHBondContact O-N 2.86Å |
| 212 | G | 95.3 | Very high | 93.1 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 39% | 0.392 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -45 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | W208 T209 L210 I215 G216 | W208-G212 PolarHBondContact O-N 3.48Å; T209-G212 PolarHBondContact O-N 3.45Å; L210-G212 VanDerWaalsContact C-N 3.33Å; L210-G212 PolarHBondContact O-N 3.49Å; G212-I215 PolarHBondContact O-N 3.25Å; G212-G216 PolarHBondContact O-N 3.47Å |
| 213 | C | 95.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 45 Ų | 45 | 32% | 0.318 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.5 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | T209 L210 I215 G216 V217 | T209-C213 PolarHBondContact O-N 3.3Å; T209-C213 PolarHBondContact O-SG 3.29Å; L210-C213 WeakPolarHBondContact O-CB 3.34Å; L210-C213 PolarHBondContact O-N 3.24Å; C213-I215 PolarHBondContact O-N 3.29Å; C213-G216 PolarHBondContact O-N 3.35Å; C213-V217 WeakPolarHBondContact O-CG2 3.49Å; C213-V217 PolarHBondContact O-N 3.41Å |
| 214 | Y | 95.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.2 | -73.5 | -17.1 | 0 | 0 | 0 | 113.1 | A22 G25 L26 G153 M156 S157 L210 L211 G218 | A22-Y214 HydrophobicContact CB-CD1 4.13Å; A22-Y214 HydrophobicContact CB-CG 4.11Å; A22-Y214 VanDerWaalsContact CB-O 3.27Å; A22-Y214 WeakPolarHBondContact CB-O 3.26Å; G25-Y214 WeakPolarHBondContact CA-OH 3.36Å; L26-Y214 HydrophobicContact CB-CD2 4.05Å; L26-Y214 HydrophobicContact CB-CE2 3.98Å; G153-Y214 PolarHBondContact O-OH 3.43Å; M156-Y214 HydrophobicContact CB-CE1 4.41Å; M156-Y214 HydrophobicContact CG-CE1 4.24Å; S157-Y214 WeakPolarHBondContact CB-OH 3.45Å; L210-Y214 HydrophobicContact CD1-CD1 4.43Å; L210-Y214 HydrophobicContact CD1-CD2 4.29Å; L210-Y214 HydrophobicContact CD1-CE1 3.89Å; L210-Y214 HydrophobicContact CD1-CE2 3.7Å; L210-Y214 VanDerWaalsContact CD1-CZ 3.49Å; L210-Y214 HydrophobicContact CD2-CE2 3.99Å; L210-Y214 HydrophobicContact CG-CD2 4.06Å; L210-Y214 HydrophobicContact CG-CE2 3.65Å; L210-Y214 PolarHBondContact O-N 3.49Å; L211-Y214 PolarHBondContact O-N 3.49Å; Y214-G218 PolarHBondContact O-N 3.18Å |
| 215 | I | 96.7 | Very high | 94.9 | Very high | 18 Ų | 18 | 40.6 Ų | 40.6 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -46.7 | 174.1 | -69.9 | 164.7 | 0 | 0 | 0 | 110.2 | F84 L87 L211 G212 C213 V217 G218 V219 | F84-I215 HydrophobicContact CD1-CD1 3.87Å; F84-I215 HydrophobicContact CD2-CD1 4.36Å; F84-I215 HydrophobicContact CD2-CG1 4.35Å; F84-I215 HydrophobicContact CD2-CG2 4.29Å; F84-I215 HydrophobicContact CE1-CD1 4.03Å; F84-I215 HydrophobicContact CE1-CG2 4.08Å; F84-I215 HydrophobicContact CE2-CG1 4.4Å; F84-I215 HydrophobicContact CE2-CG2 3.53Å; F84-I215 HydrophobicContact CG-CD1 4.04Å; F84-I215 HydrophobicContact CG-CG1 4.49Å; F84-I215 HydrophobicContact CZ-CD1 4.36Å; F84-I215 HydrophobicContact CZ-CG2 3.4Å; F84-I215 VanDerWaalsContact CZ-CG2 3.4Å; L87-I215 HydrophobicContact CD1-CD1 3.73Å; L87-I215 HydrophobicContact CD2-CD1 4.17Å; L87-I215 HydrophobicContact CG-CD1 3.95Å; L211-I215 WeakPolarHBondContact O-CB 3.13Å; L211-I215 VanDerWaalsContact O-CG1 3.25Å; L211-I215 WeakPolarHBondContact O-CG1 3.28Å; L211-I215 PolarHBondContact O-N 2.86Å; G212-I215 PolarHBondContact O-N 3.25Å; C213-I215 PolarHBondContact O-N 3.29Å; I215-V217 PolarHBondContact O-N 2.92Å; I215-G218 PolarHBondContact O-N 3.48Å; I215-V219 HydrophobicContact CG2-CG2 4.3Å; I215-V219 WeakPolarHBondContact O-CG2 3.25Å; I215-V219 PolarHBondContact O-N 2.99Å |
| 216 | G | 96.8 | Very high | 95.2 | Very high | 40 Ų | 40 | 34.1 Ų | 34.1 | 41% | 0.412 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.1 | -46.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G212 C213 V219 L220 | G212-G216 PolarHBondContact O-N 3.47Å; C213-G216 PolarHBondContact O-N 3.35Å; G216-V219 PolarHBondContact O-N 2.83Å; G216-L220 WeakPolarHBondContact O-CB 3.43Å; G216-L220 PolarHBondContact O-N 3.31Å |
| 217 | V | 96.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.8 | -37.5 | 177 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | S18 C213 I215 L220 A221 | S18-V217 VanDerWaalsContact O-CG1 3.24Å; S18-V217 WeakPolarHBondContact O-CG1 3.39Å; C213-V217 WeakPolarHBondContact O-CG2 3.49Å; C213-V217 PolarHBondContact O-N 3.41Å; I215-V217 PolarHBondContact O-N 2.92Å; V217-L220 WeakPolarHBondContact O-CB 3.41Å; V217-L220 PolarHBondContact O-N 2.97Å; V217-A221 PolarHBondContact O-N 3.28Å |
| 218 | G | 96.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.6 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y214 I215 L220 A221 I222 | Y214-G218 PolarHBondContact O-N 3.18Å; I215-G218 PolarHBondContact O-N 3.48Å; G218-L220 VanDerWaalsContact C-N 3.35Å; G218-A221 VanDerWaalsContact O-CB 3.3Å; G218-A221 WeakPolarHBondContact O-CB 3.42Å; G218-A221 PolarHBondContact O-N 3.15Å; G218-I222 PolarHBondContact O-N 3.48Å |
| 219 | V | 97.4 | Very high | 95.7 | Very high | 59 Ų | 59 | 38 Ų | 38 | 36% | 0.358 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | V80 I215 G216 A221 I222 L223 | V80-V219 HydrophobicContact CG1-CG2 4.14Å; I215-V219 HydrophobicContact CG2-CG2 4.3Å; I215-V219 WeakPolarHBondContact O-CG2 3.25Å; I215-V219 PolarHBondContact O-N 2.99Å; G216-V219 PolarHBondContact O-N 2.83Å; V219-A221 VanDerWaalsContact C-N 3.28Å; V219-A221 PolarHBondContact O-N 3.44Å; V219-I222 WeakPolarHBondContact O-CB 3.46Å; V219-I222 PolarHBondContact O-N 2.8Å; V219-I222 VanDerWaalsContact O-N 3.16Å; V219-L223 HydrophobicContact CG1-CD1 4.34Å; V219-L223 WeakPolarHBondContact O-CG 3.31Å; V219-L223 PolarHBondContact O-N 3.31Å |
| 220 | L | 96.7 | Very high | 95.5 | Very high | 90 Ų | 90 | 37.6 Ų | 37.6 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -41.1 | 172.8 | -179.7 | 65.1 | 0 | 0 | 0 | 111.5 | G216 V217 G218 I222 L223 I224 | G216-L220 WeakPolarHBondContact O-CB 3.43Å; G216-L220 PolarHBondContact O-N 3.31Å; V217-L220 WeakPolarHBondContact O-CB 3.41Å; V217-L220 PolarHBondContact O-N 2.97Å; G218-L220 VanDerWaalsContact C-N 3.35Å; L220-I222 VanDerWaalsContact C-N 3.34Å; L220-I222 PolarHBondContact O-N 3.46Å; L220-L223 PolarHBondContact O-N 2.84Å; L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CD1-CG1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 HydrophobicContact CG-CG1 4.41Å; L220-I224 VanDerWaalsContact O-CG1 3.27Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 3.46Å |
| 221 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.5 | -44.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G15 L19 M76 V217 G218 V219 L223 I224 I225 | G15-A221 WeakPolarHBondContact O-CB 3.38Å; L19-A221 HydrophobicContact CB-CB 4.12Å; M76-A221 HydrophobicContact SD-CB 4.15Å; V217-A221 PolarHBondContact O-N 3.28Å; G218-A221 VanDerWaalsContact O-CB 3.3Å; G218-A221 WeakPolarHBondContact O-CB 3.42Å; G218-A221 PolarHBondContact O-N 3.15Å; V219-A221 VanDerWaalsContact C-N 3.28Å; V219-A221 PolarHBondContact O-N 3.44Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.47Å; A221-I224 PolarHBondContact O-N 3.29Å; A221-I225 WeakPolarHBondContact O-CG1 3.24Å; A221-I225 PolarHBondContact O-N 2.86Å; A221-I225 VanDerWaalsContact O-N 3.08Å |
| 222 | I | 97.5 | Very high | 94.4 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 16% | 0.164 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -43.4 | 176.2 | -66.3 | 169.2 | 0 | 0 | 0 | 110.8 | V73 M76 A77 V80 G218 V219 L220 I225 S226 | V73-I222 HydrophobicContact CG1-CG2 4.2Å; M76-I222 HydrophobicContact CB-CD1 4.37Å; M76-I222 HydrophobicContact CB-CG1 3.61Å; A77-I222 HydrophobicContact CB-CD1 4.19Å; V80-I222 HydrophobicContact CB-CD1 4.32Å; V80-I222 HydrophobicContact CG2-CD1 3.79Å; G218-I222 PolarHBondContact O-N 3.48Å; V219-I222 WeakPolarHBondContact O-CB 3.46Å; V219-I222 PolarHBondContact O-N 2.8Å; V219-I222 VanDerWaalsContact O-N 3.16Å; L220-I222 VanDerWaalsContact C-N 3.34Å; L220-I222 PolarHBondContact O-N 3.46Å; I222-I225 PolarHBondContact O-N 3.11Å; I222-S226 VanDerWaalsContact O-CB 3.23Å; I222-S226 WeakPolarHBondContact O-CB 3.42Å; I222-S226 PolarHBondContact O-N 2.98Å; I222-S226 PolarHBondContact O-OG 3.03Å |
| 223 | L | 97.1 | Very high | 93.3 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 44% | 0.44 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 177.6 | -67.5 | 175.3 | 0 | 0 | 0 | 111.7 | V219 L220 A221 I225 S226 I227 | V219-L223 HydrophobicContact CG1-CD1 4.34Å; V219-L223 WeakPolarHBondContact O-CG 3.31Å; V219-L223 PolarHBondContact O-N 3.31Å; L220-L223 PolarHBondContact O-N 2.84Å; A221-L223 VanDerWaalsContact C-N 3.34Å; A221-L223 PolarHBondContact O-N 3.47Å; L223-I225 PolarHBondContact O-N 3.35Å; L223-S226 WeakPolarHBondContact CA-OG 3.49Å; L223-S226 PolarHBondContact O-N 2.86Å; L223-S226 PolarHBondContact O-OG 3.29Å; L223-I227 HydrophobicContact CB-CD1 4.48Å; L223-I227 WeakPolarHBondContact O-CB 3.32Å; L223-I227 WeakPolarHBondContact O-CG1 3.43Å; L223-I227 PolarHBondContact O-N 3.28Å |
| 224 | I | 96.2 | Very high | 92.1 | Very high | 28 Ų | 28 | 44.5 Ų | 44.5 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -49.1 | 177.9 | -72.2 | 167 | 0 | 0 | 0 | 110.4 | V11 I14 L220 A221 F228 | V11-I224 HydrophobicContact CG1-CG2 3.99Å; I14-I224 HydrophobicContact CG2-CD1 4.21Å; L220-I224 HydrophobicContact CD1-CD1 4.36Å; L220-I224 HydrophobicContact CD1-CG1 4.4Å; L220-I224 HydrophobicContact CG-CD1 3.93Å; L220-I224 HydrophobicContact CG-CG1 4.41Å; L220-I224 VanDerWaalsContact O-CG1 3.27Å; L220-I224 WeakPolarHBondContact O-CG1 3.41Å; L220-I224 PolarHBondContact O-N 3.46Å; A221-I224 PolarHBondContact O-N 3.29Å; I224-F228 WeakPolarHBondContact O-CB 3.34Å; I224-F228 PolarHBondContact O-N 3.41Å |
| 225 | I | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.9 | -43.9 | -179.5 | -63.4 | -60.1 | 0 | 0 | 0 | 111.8 | V11 K69 I72 V73 M76 A221 I222 L223 I227 L229 | V11-I225 HydrophobicContact CG1-CD1 4.17Å; K69-I225 WeakPolarHBondContact CE-O 3.05Å; I72-I225 HydrophobicContact CB-CG2 4.48Å; I72-I225 HydrophobicContact CG2-CG1 4.46Å; I72-I225 HydrophobicContact CG2-CG2 4Å; V73-I225 HydrophobicContact CG2-CB 4.36Å; V73-I225 HydrophobicContact CG2-CG2 3.7Å; M76-I225 HydrophobicContact CE-CD1 4.32Å; M76-I225 HydrophobicContact CE-CG1 3.64Å; M76-I225 HydrophobicContact SD-CB 4.38Å; M76-I225 HydrophobicContact SD-CG1 3.73Å; A221-I225 WeakPolarHBondContact O-CG1 3.24Å; A221-I225 PolarHBondContact O-N 2.86Å; A221-I225 VanDerWaalsContact O-N 3.08Å; I222-I225 PolarHBondContact O-N 3.11Å; L223-I225 PolarHBondContact O-N 3.35Å; I225-I227 VanDerWaalsContact C-N 3.34Å; I225-I227 PolarHBondContact O-N 2.98Å; I225-L229 HydrophobicContact CD1-CD2 4.47Å; I225-L229 HydrophobicContact CG2-CB 4.18Å; I225-L229 HydrophobicContact CG2-CD2 3.81Å; I225-L229 WeakPolarHBondContact O-CB 3.48Å; I225-L229 PolarHBondContact O-N 2.75Å |
| 226 | S | 94.7 | Very high | 88.8 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.203 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.9 | -37.2 | -176.1 | 59.7 | 0 | 0 | 0 | 0 | 112.4 | K69 I222 L223 | K69-S226 WeakPolarHBondContact CE-O 3.37Å; K69-S226 PolarHBondContact NZ-O 2.92Å; I222-S226 VanDerWaalsContact O-CB 3.23Å; I222-S226 WeakPolarHBondContact O-CB 3.42Å; I222-S226 PolarHBondContact O-N 2.98Å; I222-S226 PolarHBondContact O-OG 3.03Å; L223-S226 WeakPolarHBondContact CA-OG 3.49Å; L223-S226 PolarHBondContact O-N 2.86Å; L223-S226 PolarHBondContact O-OG 3.29Å |
| 227 | I | 95 | Very high | 87 | Confident | 114 Ų | 114 | 55.1 Ų | 55.1 | 59% | 0.585 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -87 | -50.4 | -178.2 | -60.4 | 171.3 | 0 | 0 | 0 | 111.9 | L223 I225 | L223-I227 HydrophobicContact CB-CD1 4.48Å; L223-I227 WeakPolarHBondContact O-CB 3.32Å; L223-I227 WeakPolarHBondContact O-CG1 3.43Å; L223-I227 PolarHBondContact O-N 3.28Å; I225-I227 VanDerWaalsContact C-N 3.34Å; I225-I227 PolarHBondContact O-N 2.98Å |
| 228 | F | 94.6 | Very high | 85.1 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 48% | 0.482 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -96.3 | -14.8 | -166.8 | -61.4 | -72.2 | 0 | 0 | 0 | 115.1 | V11 I224 | V11-F228 HydrophobicContact CG1-CB 3.89Å; V11-F228 HydrophobicContact CG2-CB 4Å; I224-F228 WeakPolarHBondContact O-CB 3.34Å; I224-F228 PolarHBondContact O-N 3.41Å |
| 229 | L | 93.3 | Very high | 83.2 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -82.4 | 124.7 | 178.8 | -167.2 | 62.4 | 0 | 0 | 0 | 110.4 | N8 V11 V12 K69 I72 Y115 I225 | N8-L229 HydrophobicContact CB-CD1 4.02Å; V11-L229 HydrophobicContact CB-CD1 4.43Å; V11-L229 HydrophobicContact CG1-CB 4.16Å; V11-L229 HydrophobicContact CG1-CD1 4.26Å; V12-L229 HydrophobicContact CG2-CD1 3.41Å; V12-L229 VanDerWaalsContact CG2-CD1 3.41Å; V12-L229 HydrophobicContact CG2-CD2 3.8Å; V12-L229 HydrophobicContact CG2-CG 4.27Å; K69-L229 HydrophobicContact CB-CD2 4.39Å; K69-L229 VanDerWaalsContact CD-O 3.25Å; K69-L229 WeakPolarHBondContact CD-O 3.37Å; K69-L229 WeakPolarHBondContact CE-O 3.44Å; K69-L229 HydrophobicContact CG-CB 4.48Å; K69-L229 HydrophobicContact CG-CD2 4.26Å; K69-L229 PolarHBondContact NZ-O 3.18Å; I72-L229 HydrophobicContact CD1-CD2 4.36Å; Y115-L229 HydrophobicContact CD2-CD2 4.38Å; Y115-L229 HydrophobicContact CE1-CD1 3.78Å; Y115-L229 HydrophobicContact CE2-CD1 4.11Å; Y115-L229 HydrophobicContact CE2-CD2 3.89Å; Y115-L229 HydrophobicContact CE2-CG 3.94Å; Y115-L229 VanDerWaalsContact CZ-CD1 3.42Å; Y115-L229 WeakPolarHBondContact OH-CD1 3.16Å; I225-L229 HydrophobicContact CD1-CD2 4.47Å; I225-L229 HydrophobicContact CG2-CB 4.18Å; I225-L229 HydrophobicContact CG2-CD2 3.81Å; I225-L229 WeakPolarHBondContact O-CB 3.48Å; I225-L229 PolarHBondContact O-N 2.75Å |
| 230 | D | 90.1 | Very high | 81.2 | Confident | 56 Ų | 56 | 65 Ų | 65 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | -72.7 | 146 | 174.4 | -61.3 | -33.3 | 0 | 0 | 0 | 111.2 | R4 N8 Y115 I232 | R4-D230 WeakPolarHBondContact CD-OD2 3.49Å; R4-D230 VanDerWaalsContact CG-OD2 3.28Å; R4-D230 WeakPolarHBondContact CG-OD2 3.49Å; N8-D230 WeakPolarHBondContact ND2-CB 3.48Å; N8-D230 PolarHBondContact ND2-OD2 2.9Å; N8-D230 PolarHBondContact OD1-OD2 2.83Å; Y115-D230 WeakPolarHBondContact CE2-O 3.45Å; Y115-D230 PolarHBondContact OH-O 3.05Å; D230-I232 HydrophobicContact CB-CG2 4.45Å; D230-I232 PolarHBondContact O-N 3.39Å | ||
| 231 | N | 85.9 | Confident | 79.3 | Confident | 57 Ų | 57 | 68.8 Ų | 68.8 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | trans | -83.6 | 96.8 | 172.6 | -165.4 | -3.4 | 0 | 0 | 0 | 109.7 | K69 D233 | K69-N231 HydrophobicContact CD-CB 4.26Å; N231-D233 PolarHBondContact OD1-OD1 3.31Å | ||
| 232 | I | 78.9 | Confident | 77.2 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | trans | -86.1 | -20.9 | -172.4 | 63.1 | 176.4 | 0 | 0 | 0 | 113.6 | Y115 I118 S119 D230 | Y115-I232 HydrophobicContact CD1-CD1 3.94Å; Y115-I232 HydrophobicContact CD2-CD1 3.54Å; Y115-I232 HydrophobicContact CD2-CG1 3.81Å; Y115-I232 HydrophobicContact CE1-CD1 3.89Å; Y115-I232 HydrophobicContact CE2-CB 4.4Å; Y115-I232 HydrophobicContact CE2-CD1 3.52Å; Y115-I232 HydrophobicContact CE2-CG1 3.52Å; Y115-I232 HydrophobicContact CE2-CG2 4.17Å; Y115-I232 HydrophobicContact CG-CD1 3.75Å; Y115-I232 WeakPolarHBondContact OH-CG2 3.26Å; I118-I232 HydrophobicContact CB-CD1 4Å; I118-I232 HydrophobicContact CG2-CD1 3.85Å; I118-I232 HydrophobicContact CG2-CG1 4.38Å; S119-I232 WeakPolarHBondContact OG-CD1 3.48Å; D230-I232 HydrophobicContact CB-CG2 4.45Å; D230-I232 PolarHBondContact O-N 3.39Å | ||
| 233 | D | 71.4 | Confident | 75 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.037 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -109.9 | 14 | -171.9 | 59.3 | -42.5 | 0 | 0 | 0 | 112.9 | G67 C68 I118 N231 E235 Q236 T237 | G67-D233 VanDerWaalsContact CA-OD2 3.23Å; G67-D233 WeakPolarHBondContact CA-OD2 3.25Å; C68-D233 PolarHBondContact N-OD1 2.97Å; C68-D233 PolarHBondContact N-OD2 2.79Å; C68-D233 PolarHBondContact SG-OD2 3.32Å; I118-D233 HydrophobicContact CD1-CB 4.4Å; N231-D233 PolarHBondContact OD1-OD1 3.31Å; D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 3.25Å; D233-Q236 PolarHBondContact O-N 3.44Å; D233-T237 VanDerWaalsContact O-CB 3.23Å; D233-T237 WeakPolarHBondContact O-CB 3.21Å; D233-T237 PolarHBondContact O-N 2.72Å; D233-T237 PolarHBondContact O-OG1 3.41Å; D233-T237 PolarHBondContact OD2-OG1 3.31Å |
| 234 | H | 70.9 | Confident | 73 | Confident | 124 Ų | 124 | 83.8 Ų | 83.8 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.8 | -43.2 | -177.1 | -172.5 | -89.4 | 0 | 0 | 0 | 113.2 | S238 | H234-S238 WeakPolarHBondContact O-CB 3.35Å; H234-S238 PolarHBondContact O-N 3Å; H234-S238 PolarHBondContact O-OG 3.46Å |
| 235 | E | 61.8 | Low | 71 | Confident | 155 Ų | 155 | 88.8 Ų | 88.8 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -72.9 | -39 | 179.2 | -72.6 | -176.8 | 166.3 | 0 | 0 | 113.2 | D233 S238 Q239 | D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 3.25Å; E235-S238 PolarHBondContact O-N 2.97Å; E235-S238 PolarHBondContact O-OG 3.36Å; E235-Q239 WeakPolarHBondContact O-CG 3.5Å; E235-Q239 PolarHBondContact O-N 3.43Å; E235-Q239 VanDerWaalsContact O-N 3.09Å |
| 236 | Q | 60.6 | Low | 69 | Low | 111 Ų | 111 | 93.3 Ų | 93.3 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 175.2 | -71.5 | -179 | -16.9 | 0 | 0 | 111.1 | D233 Q239 F240 | D233-Q236 PolarHBondContact O-N 3.44Å; Q236-Q239 PolarHBondContact O-N 2.97Å; Q236-F240 WeakPolarHBondContact O-CD2 3.26Å; Q236-F240 PolarHBondContact O-N 2.97Å |
| 237 | T | 58.3 | Low | 67.2 | Low | 17 Ų | 17 | 96.3 Ų | 96.3 | 10% | 0.104 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.1 | -40.2 | 176.4 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | K64 D233 F240 R241 | K64-T237 VanDerWaalsContact O-CG2 3.31Å; K64-T237 WeakPolarHBondContact O-CG2 3.35Å; D233-T237 VanDerWaalsContact O-CB 3.23Å; D233-T237 WeakPolarHBondContact O-CB 3.21Å; D233-T237 PolarHBondContact O-N 2.72Å; D233-T237 PolarHBondContact O-OG1 3.41Å; D233-T237 PolarHBondContact OD2-OG1 3.31Å; T237-F240 PolarHBondContact O-N 2.96Å; T237-R241 PolarHBondContact O-N 3.27Å |
| 238 | S | 58 | Low | 65.3 | Low | 63 Ų | 63 | 94.6 Ų | 94.6 | 44% | 0.441 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -38.3 | 178.1 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | H234 E235 G242 | H234-S238 WeakPolarHBondContact O-CB 3.35Å; H234-S238 PolarHBondContact O-N 3Å; H234-S238 PolarHBondContact O-OG 3.46Å; E235-S238 PolarHBondContact O-N 2.97Å; E235-S238 PolarHBondContact O-OG 3.36Å; S238-G242 PolarHBondContact O-N 3.13Å |
| 239 | Q | 56.6 | Low | 63.7 | Low | 147 Ų | 147 | 95.2 Ų | 95.2 | 69% | 0.687 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 173.6 | -75.3 | -176.9 | -12 | 0 | 0 | 112.6 | E235 Q236 G242 N243 | E235-Q239 WeakPolarHBondContact O-CG 3.5Å; E235-Q239 PolarHBondContact O-N 3.43Å; E235-Q239 VanDerWaalsContact O-N 3.09Å; Q236-Q239 PolarHBondContact O-N 2.97Å; Q239-G242 WeakPolarHBondContact O-CA 3.05Å; Q239-G242 PolarHBondContact O-N 3.47Å; Q239-G242 VanDerWaalsContact O-N 3.07Å; Q239-N243 PolarHBondContact O-N 3.2Å; Q239-N243 VanDerWaalsContact O-N 3.13Å |
| 240 | F | 54.3 | Low | 61.9 | Low | 96 Ų | 96 | 97.4 Ų | 97.4 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.3 | -32.6 | 175.9 | -98.3 | -79.1 | 0 | 0 | 0 | 113.6 | Q236 T237 G242 N243 | Q236-F240 WeakPolarHBondContact O-CD2 3.26Å; Q236-F240 PolarHBondContact O-N 2.97Å; T237-F240 PolarHBondContact O-N 2.96Å; F240-G242 PolarHBondContact O-N 3.06Å; F240-N243 CarbonylContact O-C 3.51Å; F240-N243 PolarHBondContact O-N 3.47Å |
| 241 | R | 56.8 | Low | 60.5 | Low | 168 Ų | 168 | 97.5 Ų | 97.5 | 63% | 0.634 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.1 | -27.2 | 169.4 | -82.1 | -177.6 | 177.6 | -170.2 | -0.5 | 112.2 | N65 T237 | N65-R241 PolarHBondContact O-NE 3.23Å; N65-R241 PolarHBondContact O-NH2 3.24Å; T237-R241 PolarHBondContact O-N 3.27Å |
| 242 | G | 52.8 | Low | 59.5 | Low | 62 Ų | 62 | 98.6 Ų | 98.6 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78 | -39.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114 | S238 Q239 F240 | S238-G242 PolarHBondContact O-N 3.13Å; Q239-G242 WeakPolarHBondContact O-CA 3.05Å; Q239-G242 PolarHBondContact O-N 3.47Å; Q239-G242 VanDerWaalsContact O-N 3.07Å; F240-G242 PolarHBondContact O-N 3.06Å |
| 243 | N | 52 | Low | 58.9 | Low | 124 Ų | 124 | 98 Ų | 98 | 66% | 0.663 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -101.8 | 99.9 | 177.8 | -89.3 | -5.1 | 0 | 0 | 0 | 111.7 | Q239 F240 E245 | Q239-N243 PolarHBondContact O-N 3.2Å; Q239-N243 VanDerWaalsContact O-N 3.13Å; F240-N243 CarbonylContact O-C 3.51Å; F240-N243 PolarHBondContact O-N 3.47Å; N243-E245 PolarHBondContact O-N 3.33Å |
| 244 | R | 54.4 | Low | 58.8 | Low | 245 Ų | 245 | 98.7 Ų | 98.7 | 93% | 0.925 | 50% | 0.497 | S | S | * | . | trans | -68.8 | 74.2 | 172.2 | -74.8 | -177.8 | 169.7 | -177.7 | -2.4 | 111.5 | ||||
| 245 | E | 54.1 | Low | 59.1 | Low | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 49% | 0.488 | S | S | * | . | trans | -65 | 134.3 | 163 | -76.5 | -161.2 | 163.2 | 0 | 0 | 110 | N243 F247 | N243-E245 PolarHBondContact O-N 3.33Å; E245-F247 PolarHBondContact O-N 3.17Å | ||
| 246 | P | 54.7 | Low | 60 | Low | 96 Ų | 96 | 96 Ų | 96 | 62% | 0.623 | 48% | 0.477 | S | S | * | . | trans | -69.9 | 118.5 | -172.8 | 23.8 | -30.2 | 0 | 0 | 0 | 111.6 | C248 H249 | P246-C248 PolarHBondContact O-N 2.99Å; P246-H249 PolarHBondContact O-N 2.99Å | ||
| 247 | F | 56.1 | Low | 61 | Low | 91 Ų | 91 | 91.7 Ų | 91.7 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.9 | -34.1 | 170.2 | 171.3 | -106.5 | 0 | 0 | 0 | 114.7 | F57 I61 E245 H249 T250 F251 | F57-F247 HydrophobicContact CB-CZ 4.16Å; F57-F247 AromaticContact CD1-CZ 3.98Å; F57-F247 HydrophobicContact CD1-CZ 3.98Å; I61-F247 HydrophobicContact CD1-CD2 4.35Å; I61-F247 HydrophobicContact CD1-CE2 3.62Å; I61-F247 HydrophobicContact CD1-CZ 3.88Å; I61-F247 HydrophobicContact CG1-CD2 3.94Å; I61-F247 HydrophobicContact CG1-CE2 3.54Å; I61-F247 HydrophobicContact CG1-CZ 4.32Å; E245-F247 PolarHBondContact O-N 3.17Å; F247-H249 PolarHBondContact O-N 3.24Å; F247-T250 PolarHBondContact O-N 3.21Å; F247-F251 PolarHBondContact O-N 2.76Å |
| 248 | C | 55.9 | Low | 62.2 | Low | 78 Ų | 78 | 92.6 Ų | 92.6 | 53% | 0.527 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61 | -29.4 | -179 | -157 | 0 | 0 | 0 | 0 | 112.9 | P246 L252 | P246-C248 PolarHBondContact O-N 2.99Å; C248-L252 VanDerWaalsContact O-CB 3.26Å; C248-L252 WeakPolarHBondContact O-CB 3.34Å; C248-L252 PolarHBondContact O-N 3.47Å |
| 249 | H | 59.7 | Low | 63.3 | Low | 124 Ų | 124 | 98.2 Ų | 98.2 | 57% | 0.574 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.9 | -42.4 | -176.8 | -168.1 | -99.1 | 0 | 0 | 0 | 112.9 | P246 F247 A253 | P246-H249 PolarHBondContact O-N 2.99Å; F247-H249 PolarHBondContact O-N 3.24Å; H249-A253 PolarHBondContact O-N 2.69Å; H249-A253 VanDerWaalsContact O-N 3.13Å |
| 250 | T | 56.8 | Low | 64.8 | Low | 46 Ų | 46 | 93.1 Ų | 93.1 | 28% | 0.282 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 177.6 | -48.5 | 0 | 0 | 0 | 0 | 111.6 | P60 F247 A253 T254 | P60-T250 HydrophobicContact CG-CG2 4.35Å; F247-T250 PolarHBondContact O-N 3.21Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.06Å; T250-T254 PolarHBondContact O-N 3.44Å |
| 251 | F | 61.2 | Low | 66.3 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 25% | 0.254 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 174.5 | 173.5 | -100.4 | 0 | 0 | 0 | 111.8 | M56 F57 F247 A253 T254 F255 | M56-F251 HydrophobicContact CE-CE2 3.96Å; M56-F251 HydrophobicContact CE-CZ 4.49Å; F57-F251 AromaticContact CD1-CD2 3.93Å; F57-F251 HydrophobicContact CD1-CD2 3.93Å; F57-F251 AromaticContact CD1-CE2 3.96Å; F57-F251 HydrophobicContact CD1-CE2 3.96Å; F57-F251 AromaticContact CE1-CD2 3.66Å; F57-F251 HydrophobicContact CE1-CD2 3.66Å; F57-F251 AromaticContact CE1-CE2 3.21Å; F57-F251 HydrophobicContact CE1-CE2 3.21Å; F57-F251 HydrophobicContact CE1-CZ 4.01Å; F57-F251 AromaticContact CZ-CE2 3.88Å; F57-F251 HydrophobicContact CZ-CE2 3.88Å; F247-F251 PolarHBondContact O-N 2.76Å; F251-A253 PolarHBondContact O-N 3.36Å; F251-T254 PolarHBondContact O-N 3.17Å; F251-F255 HydrophobicContact CD1-CD2 4.47Å; F251-F255 HydrophobicContact CD2-CD2 4.41Å; F251-F255 HydrophobicContact CD2-CE2 4.18Å; F251-F255 AromaticContact CE1-CD2 3.99Å; F251-F255 HydrophobicContact CE1-CD2 3.99Å; F251-F255 HydrophobicContact CE1-CE2 4.07Å; F251-F255 AromaticContact CE2-CD2 3.93Å; F251-F255 HydrophobicContact CE2-CD2 3.93Å; F251-F255 AromaticContact CE2-CE2 3.37Å; F251-F255 HydrophobicContact CE2-CE2 3.37Å; F251-F255 HydrophobicContact CE2-CZ 4.42Å; F251-F255 AromaticContact CZ-CD2 3.7Å; F251-F255 HydrophobicContact CZ-CD2 3.7Å; F251-F255 AromaticContact CZ-CE2 3.3Å; F251-F255 HydrophobicContact CZ-CE2 3.3Å; F251-F255 HydrophobicContact CZ-CZ 4.24Å |
| 252 | L | 64.8 | Low | 67.8 | Low | 80 Ų | 80 | 91.5 Ų | 91.5 | 42% | 0.419 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -27 | 178.7 | -147.9 | 103.7 | 0 | 0 | 0 | 111.4 | C248 R256 | C248-L252 VanDerWaalsContact O-CB 3.26Å; C248-L252 WeakPolarHBondContact O-CB 3.34Å; C248-L252 PolarHBondContact O-N 3.47Å; L252-R256 VanDerWaalsContact CD2-NH2 3.26Å; L252-R256 WeakPolarHBondContact O-CA 3.47Å; L252-R256 WeakPolarHBondContact O-CB 3.27Å; L252-R256 PolarHBondContact O-N 2.97Å |
| 253 | A | 65.3 | Low | 69.5 | Low | 34 Ų | 34 | 88.5 Ų | 88.5 | 28% | 0.281 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.7 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H249 T250 F251 R256 L257 | H249-A253 PolarHBondContact O-N 2.69Å; H249-A253 VanDerWaalsContact O-N 3.13Å; T250-A253 WeakPolarHBondContact O-CB 3.4Å; T250-A253 PolarHBondContact O-N 3.06Å; F251-A253 PolarHBondContact O-N 3.36Å; A253-R256 PolarHBondContact O-N 3.34Å; A253-L257 PolarHBondContact O-N 3.2Å |
| 254 | T | 70.4 | Confident | 71.4 | Confident | 20 Ų | 20 | 86.1 Ų | 86.1 | 12% | 0.123 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.6 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | T250 F251 L257 A391 N392 | T250-T254 PolarHBondContact O-N 3.44Å; F251-T254 PolarHBondContact O-N 3.17Å; T254-L257 PolarHBondContact O-N 3.3Å; T254-A391 HydrophobicContact CG2-CB 4.37Å; T254-N392 WeakPolarHBondContact CG2-ND2 3.16Å; T254-N392 PolarHBondContact O-ND2 2.93Å |
| 255 | F | 77.1 | Confident | 73.1 | Confident | 86 Ų | 86 | 75 Ų | 75 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.1 | -30.6 | 176.3 | -78.5 | -79.8 | 0 | 0 | 0 | 113.4 | M56 F251 L257 L258 | M56-F255 HydrophobicContact CE-CE2 3.64Å; M56-F255 HydrophobicContact CE-CZ 3.43Å; M56-F255 VanDerWaalsContact CE-CZ 3.43Å; F251-F255 HydrophobicContact CD1-CD2 4.47Å; F251-F255 HydrophobicContact CD2-CD2 4.41Å; F251-F255 HydrophobicContact CD2-CE2 4.18Å; F251-F255 AromaticContact CE1-CD2 3.99Å; F251-F255 HydrophobicContact CE1-CD2 3.99Å; F251-F255 HydrophobicContact CE1-CE2 4.07Å; F251-F255 AromaticContact CE2-CD2 3.93Å; F251-F255 HydrophobicContact CE2-CD2 3.93Å; F251-F255 AromaticContact CE2-CE2 3.37Å; F251-F255 HydrophobicContact CE2-CE2 3.37Å; F251-F255 HydrophobicContact CE2-CZ 4.42Å; F251-F255 AromaticContact CZ-CD2 3.7Å; F251-F255 HydrophobicContact CZ-CD2 3.7Å; F251-F255 AromaticContact CZ-CE2 3.3Å; F251-F255 HydrophobicContact CZ-CE2 3.3Å; F251-F255 HydrophobicContact CZ-CZ 4.24Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 2.77Å; F255-L258 HydrophobicContact CD1-CD1 3.86Å; F255-L258 HydrophobicContact CE1-CD1 4.27Å; F255-L258 WeakPolarHBondContact O-CB 3.24Å; F255-L258 PolarHBondContact O-N 3.49Å |
| 256 | R | 79.8 | Confident | 75 | Confident | 136 Ų | 136 | 68.7 Ų | 68.7 | 51% | 0.513 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.2 | -34.6 | 174.1 | -171.6 | -176.3 | -63.7 | 175.8 | -1.1 | 110.5 | L252 A253 L258 K259 | L252-R256 VanDerWaalsContact CD2-NH2 3.26Å; L252-R256 WeakPolarHBondContact O-CA 3.47Å; L252-R256 WeakPolarHBondContact O-CB 3.27Å; L252-R256 PolarHBondContact O-N 2.97Å; A253-R256 PolarHBondContact O-N 3.34Å; R256-L258 VanDerWaalsContact C-N 3.29Å; R256-L258 PolarHBondContact O-N 3.29Å; R256-K259 WeakPolarHBondContact O-CB 3.47Å; R256-K259 PolarHBondContact O-N 3.33Å; R256-K259 VanDerWaalsContact O-N 3.15Å |
| 257 | L | 81.5 | Confident | 76.8 | Confident | 22 Ų | 22 | 65.1 Ų | 65.1 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -28 | 176.5 | -160.6 | 68.7 | 0 | 0 | 0 | 112.7 | A253 T254 F255 K259 D260 L263 F382 A385 A388 A389 | A253-L257 PolarHBondContact O-N 3.2Å; T254-L257 PolarHBondContact O-N 3.3Å; F255-L257 VanDerWaalsContact C-N 3.27Å; F255-L257 PolarHBondContact O-N 2.77Å; L257-K259 PolarHBondContact O-N 3.04Å; L257-K259 VanDerWaalsContact O-N 3.13Å; L257-D260 VanDerWaalsContact O-CB 3.28Å; L257-D260 WeakPolarHBondContact O-CB 3.38Å; L257-D260 PolarHBondContact O-N 3.38Å; L257-L263 HydrophobicContact CB-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CD2 4.03Å; L257-L263 HydrophobicContact CG-CD2 3.84Å; L257-F382 HydrophobicContact CD1-CD1 3.76Å; L257-F382 HydrophobicContact CD1-CE1 3.99Å; L257-F382 HydrophobicContact CD2-CD1 4.4Å; L257-F382 HydrophobicContact CD2-CG 4.44Å; L257-F382 HydrophobicContact CG-CD1 4.43Å; L257-F382 HydrophobicContact CG-CE1 4.43Å; L257-A385 HydrophobicContact CD1-CB 4.39Å; L257-A388 HydrophobicContact CD2-CB 4.1Å; L257-A389 HydrophobicContact CD2-CB 3.91Å |
| 258 | L | 82.9 | Confident | 78.7 | Confident | 35 Ų | 35 | 62.1 Ų | 62.1 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -14.7 | 172.5 | -69.9 | 172.7 | 0 | 0 | 0 | 113.5 | F255 R256 D260 L263 L264 N392 W396 | F255-L258 HydrophobicContact CD1-CD1 3.86Å; F255-L258 HydrophobicContact CE1-CD1 4.27Å; F255-L258 WeakPolarHBondContact O-CB 3.24Å; F255-L258 PolarHBondContact O-N 3.49Å; R256-L258 VanDerWaalsContact C-N 3.29Å; R256-L258 PolarHBondContact O-N 3.29Å; L258-D260 VanDerWaalsContact C-N 3.27Å; L258-L263 HydrophobicContact CD2-CD2 3.94Å; L258-L264 WeakPolarHBondContact O-CD1 3.25Å; L258-L264 WeakPolarHBondContact O-CD2 3.29Å; L258-L264 VanDerWaalsContact O-CG 3.32Å; L258-L264 WeakPolarHBondContact O-CG 3.28Å; L258-N392 VanDerWaalsContact CD2-OD1 3.25Å; L258-N392 WeakPolarHBondContact CD2-OD1 3.38Å; L258-W396 HydrophobicContact CD2-CZ2 3.71Å |
| 259 | K | 82.9 | Confident | 80.5 | Confident | 182 Ų | 182 | 58.5 Ų | 58.5 | 79% | 0.791 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -16.1 | 170.7 | -62.5 | -174.6 | 175 | -174.1 | 0 | 112.7 | R256 L257 W261 | R256-K259 WeakPolarHBondContact O-CB 3.47Å; R256-K259 PolarHBondContact O-N 3.33Å; R256-K259 VanDerWaalsContact O-N 3.15Å; L257-K259 PolarHBondContact O-N 3.04Å; L257-K259 VanDerWaalsContact O-N 3.13Å; K259-W261 PolarHBondContact O-N 3.41Å |
| 260 | D | 86.3 | Confident | 82.2 | Confident | 40 Ų | 40 | 52.6 Ų | 52.6 | 21% | 0.214 | 25% | 0.246 | C | C | . | . | trans | -74.7 | 117.8 | 175.7 | -165.4 | -38.1 | 0 | 0 | 0 | 109.3 | L257 L258 R262 L263 L264 F382 | L257-D260 VanDerWaalsContact O-CB 3.28Å; L257-D260 WeakPolarHBondContact O-CB 3.38Å; L257-D260 PolarHBondContact O-N 3.38Å; L258-D260 VanDerWaalsContact C-N 3.27Å; D260-R262 PolarHBondContact O-N 2.83Å; D260-R262 VanDerWaalsContact OD1-CB 3.28Å; D260-R262 WeakPolarHBondContact OD1-CB 3.49Å; D260-R262 WeakPolarHBondContact OD1-CG 3.49Å; D260-R262 PolarHBondContact OD1-N 2.9Å; D260-R262 IonicContact OD1-NE 2.79Å; D260-R262 PolarHBondContact OD1-NE 2.77Å; D260-R262 IonicContact OD2-CZ 3.66Å; D260-R262 IonicContact OD2-NE 3.48Å; D260-R262 PolarHBondContact OD2-NE 3.37Å; D260-R262 IonicContact OD2-NH2 3.64Å; D260-R262 PolarHBondContact OD2-NH2 2.92Å; D260-L263 HydrophobicContact CB-CB 4.49Å; D260-L263 PolarHBondContact O-N 3.19Å; D260-L264 PolarHBondContact O-N 2.9Å; D260-F382 HydrophobicContact CB-CE1 4.31Å; D260-F382 WeakPolarHBondContact OD2-CE1 3.37Å | ||
| 261 | W | 87.3 | Confident | 84 | Confident | 184 Ų | 184 | 52 Ų | 52 | 70% | 0.697 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -55.9 | -33.2 | 178.9 | 177.3 | -96.7 | 0 | 0 | 0 | 112.8 | K259 L263 L264 T265 | K259-W261 PolarHBondContact O-N 3.41Å; W261-L263 VanDerWaalsContact C-N 3.31Å; W261-L263 PolarHBondContact O-N 3.48Å; W261-L264 PolarHBondContact O-N 2.95Å; W261-T265 PolarHBondContact NE1-OG1 3.27Å; W261-T265 WeakPolarHBondContact O-CB 3.17Å; W261-T265 PolarHBondContact O-N 3.12Å; W261-T265 PolarHBondContact O-OG1 2.8Å |
| 262 | R | 88.6 | Confident | 85.7 | Confident | 45 Ų | 45 | 49.2 Ų | 49.2 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 178.3 | -61.3 | 176.2 | -68.4 | 171.7 | 3.2 | 110.9 | D260 L266 F382 V434 Y437 E438 T443 | D260-R262 PolarHBondContact O-N 2.83Å; D260-R262 VanDerWaalsContact OD1-CB 3.28Å; D260-R262 WeakPolarHBondContact OD1-CB 3.49Å; D260-R262 WeakPolarHBondContact OD1-CG 3.49Å; D260-R262 PolarHBondContact OD1-N 2.9Å; D260-R262 IonicContact OD1-NE 2.79Å; D260-R262 PolarHBondContact OD1-NE 2.77Å; D260-R262 IonicContact OD2-CZ 3.66Å; D260-R262 IonicContact OD2-NE 3.48Å; D260-R262 PolarHBondContact OD2-NE 3.37Å; D260-R262 IonicContact OD2-NH2 3.64Å; D260-R262 PolarHBondContact OD2-NH2 2.92Å; R262-L266 WeakPolarHBondContact O-CG 3.4Å; R262-L266 PolarHBondContact O-N 2.84Å; R262-F382 HydrophobicContact CB-CZ 4.27Å; R262-V434 HydrophobicContact CB-CG1 4.49Å; R262-Y437 HydrophobicContact CG-CD1 4.24Å; R262-Y437 HydrophobicContact CG-CE1 4.37Å; R262-E438 IonicContact NH1-OE2 3.33Å; R262-T443 PolarHBondContact NH1-OG1 2.85Å |
| 263 | L | 88.5 | Confident | 87 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.9 | -46.6 | 177.4 | -179.8 | 62.1 | 0 | 0 | 0 | 111 | L257 L258 D260 W261 T265 L266 I267 Y378 F382 N392 | L257-L263 HydrophobicContact CB-CD2 4.17Å; L257-L263 HydrophobicContact CD2-CD2 4.03Å; L257-L263 HydrophobicContact CG-CD2 3.84Å; L258-L263 HydrophobicContact CD2-CD2 3.94Å; D260-L263 HydrophobicContact CB-CB 4.49Å; D260-L263 PolarHBondContact O-N 3.19Å; W261-L263 VanDerWaalsContact C-N 3.31Å; W261-L263 PolarHBondContact O-N 3.48Å; L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 PolarHBondContact O-N 3.33Å; L263-L266 PolarHBondContact O-N 2.72Å; L263-I267 PolarHBondContact O-N 2.79Å; L263-Y378 HydrophobicContact CD1-CE1 3.48Å; L263-Y378 VanDerWaalsContact CD1-CE1 3.48Å; L263-Y378 WeakPolarHBondContact CD1-OH 3.49Å; L263-F382 HydrophobicContact CB-CE2 4.46Å; L263-F382 HydrophobicContact CB-CZ 3.85Å; L263-F382 HydrophobicContact CD1-CE2 4.4Å; L263-N392 HydrophobicContact CD1-CB 4.14Å; L263-N392 HydrophobicContact CD2-CB 3.96Å |
| 264 | L | 90.3 | Very high | 88.4 | Confident | 73 Ų | 73 | 43.9 Ų | 43.9 | 38% | 0.382 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 179.4 | -71 | 173.2 | 0 | 0 | 0 | 112.2 | L258 D260 W261 L266 I267 | L258-L264 WeakPolarHBondContact O-CD1 3.25Å; L258-L264 WeakPolarHBondContact O-CD2 3.29Å; L258-L264 VanDerWaalsContact O-CG 3.32Å; L258-L264 WeakPolarHBondContact O-CG 3.28Å; D260-L264 PolarHBondContact O-N 2.9Å; W261-L264 PolarHBondContact O-N 2.95Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 3.13Å; L264-I267 HydrophobicContact CD2-CD1 3.83Å; L264-I267 WeakPolarHBondContact O-CB 3.43Å; L264-I267 PolarHBondContact O-N 3.45Å |
| 265 | T | 91.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 43.2 Ų | 43.2 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.4 | -23.2 | -179.7 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | W261 L263 P268 T430 L433 V434 | W261-T265 PolarHBondContact NE1-OG1 3.27Å; W261-T265 WeakPolarHBondContact O-CB 3.17Å; W261-T265 PolarHBondContact O-N 3.12Å; W261-T265 PolarHBondContact O-OG1 2.8Å; L263-T265 VanDerWaalsContact C-N 3.26Å; L263-T265 PolarHBondContact O-N 3.33Å; T265-P268 WeakPolarHBondContact O-CD 3.41Å; T265-T430 HydrophobicContact CG2-CG2 4.38Å; T265-T430 WeakPolarHBondContact CG2-O 3.39Å; T265-T430 WeakPolarHBondContact O-CB 3.42Å; T265-T430 PolarHBondContact O-OG1 3.29Å; T265-L433 HydrophobicContact CG2-CB 4.46Å; T265-V434 HydrophobicContact CG2-CG2 3.55Å |
| 266 | L | 92.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -84.6 | -11.2 | 174.9 | -70.5 | 175.3 | 0 | 0 | 0 | 114.3 | R262 L263 L264 L269 T270 L377 Y378 L381 Y431 V434 | R262-L266 WeakPolarHBondContact O-CG 3.4Å; R262-L266 PolarHBondContact O-N 2.84Å; L263-L266 PolarHBondContact O-N 2.72Å; L264-L266 VanDerWaalsContact C-N 3.28Å; L264-L266 PolarHBondContact O-N 3.13Å; L266-L269 HydrophobicContact CD2-CD2 4.12Å; L266-L269 WeakPolarHBondContact O-CB 3.33Å; L266-L269 PolarHBondContact O-N 3.46Å; L266-L269 VanDerWaalsContact O-N 3.16Å; L266-T270 PolarHBondContact O-N 3.49Å; L266-T270 VanDerWaalsContact O-N 3.08Å; L266-T270 PolarHBondContact O-OG1 3.46Å; L266-L377 HydrophobicContact CD1-CD2 4.01Å; L266-L377 HydrophobicContact CD1-CG 4.29Å; L266-L377 HydrophobicContact CD2-CD2 3.65Å; L266-Y378 HydrophobicContact CB-CE2 4.37Å; L266-Y378 HydrophobicContact CD1-CE2 4.07Å; L266-L381 HydrophobicContact CD1-CD1 3.48Å; L266-L381 VanDerWaalsContact CD1-CD1 3.48Å; L266-Y431 HydrophobicContact CD2-CD2 4.34Å; L266-V434 HydrophobicContact CD1-CG1 4.32Å; L266-V434 HydrophobicContact CD2-CB 4.22Å; L266-V434 HydrophobicContact CD2-CG1 4.22Å; L266-V434 HydrophobicContact CD2-CG2 4.11Å; L266-V434 HydrophobicContact CG-CG1 4.24Å; L266-V434 HydrophobicContact CG-CG2 4.13Å |
| 267 | I | 93.9 | Very high | 91 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 11% | 0.113 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.7 | -49.6 | -179 | -68.3 | 172.4 | 0 | 0 | 0 | 111.9 | L263 L264 L269 T270 M271 W396 | L263-I267 PolarHBondContact O-N 2.79Å; L264-I267 HydrophobicContact CD2-CD1 3.83Å; L264-I267 WeakPolarHBondContact O-CB 3.43Å; L264-I267 PolarHBondContact O-N 3.45Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 3.01Å; I267-T270 WeakPolarHBondContact CA-OG1 3.47Å; I267-T270 PolarHBondContact O-N 3.13Å; I267-T270 VanDerWaalsContact O-N 3.11Å; I267-T270 PolarHBondContact O-OG1 2.95Å; I267-M271 HydrophobicContact CG2-CG 4.01Å; I267-M271 HydrophobicContact CG2-SD 3.57Å; I267-M271 VanDerWaalsContact CG2-SD 3.57Å; I267-M271 WeakPolarHBondContact O-CG 2.96Å; I267-M271 PolarHBondContact O-N 3.3Å; I267-W396 HydrophobicContact CB-CD2 4.43Å; I267-W396 HydrophobicContact CD1-CD2 4.07Å; I267-W396 HydrophobicContact CD1-CE3 4.46Å; I267-W396 HydrophobicContact CD1-CH2 3.96Å; I267-W396 HydrophobicContact CD1-CZ2 3.49Å; I267-W396 VanDerWaalsContact CD1-CZ2 3.49Å; I267-W396 HydrophobicContact CD1-CZ3 4.41Å; I267-W396 HydrophobicContact CG1-CD2 3.92Å; I267-W396 HydrophobicContact CG1-CG 4.1Å; I267-W396 HydrophobicContact CG1-CZ2 4.23Å; I267-W396 HydrophobicContact CG2-CD2 3.74Å; I267-W396 HydrophobicContact CG2-CE3 3.59Å; I267-W396 HydrophobicContact CG2-CG 4.16Å; I267-W396 HydrophobicContact CG2-CZ3 4.07Å |
| 268 | P | 95.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 33.5 Ų | 33.5 | 18% | 0.175 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 179.7 | -27.2 | 37 | 0 | 0 | 0 | 113.2 | T265 T270 M271 Y272 I426 S427 T430 | T265-P268 WeakPolarHBondContact O-CD 3.41Å; P268-T270 PolarHBondContact O-N 2.94Å; P268-M271 PolarHBondContact O-N 3.25Å; P268-Y272 WeakPolarHBondContact O-CB 3.17Å; P268-Y272 PolarHBondContact O-N 3.07Å; P268-I426 HydrophobicContact CB-CG2 3.75Å; P268-I426 HydrophobicContact CG-CG2 3.88Å; P268-S427 PolarHBondContact O-OG 3.2Å; P268-S427 VanDerWaalsContact O-OG 3.05Å; P268-T430 HydrophobicContact CG-CG2 4.22Å |
| 269 | L | 94.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 177.6 | -178.7 | 72.6 | 0 | 0 | 0 | 111.5 | L266 I267 Y272 S273 F329 W370 T374 L377 S427 Y431 | L266-L269 HydrophobicContact CD2-CD2 4.12Å; L266-L269 WeakPolarHBondContact O-CB 3.33Å; L266-L269 PolarHBondContact O-N 3.46Å; L266-L269 VanDerWaalsContact O-N 3.16Å; I267-L269 VanDerWaalsContact C-N 3.3Å; I267-L269 PolarHBondContact O-N 3.01Å; L269-Y272 WeakPolarHBondContact O-CB 3.29Å; L269-Y272 PolarHBondContact O-N 3.27Å; L269-S273 PolarHBondContact O-N 3.49Å; L269-F329 HydrophobicContact CD1-CE1 4.5Å; L269-F329 HydrophobicContact CD2-CE1 4.45Å; L269-F329 HydrophobicContact CD2-CZ 4.1Å; L269-W370 HydrophobicContact CD1-CE3 3.83Å; L269-W370 HydrophobicContact CD1-CZ3 3.57Å; L269-T374 HydrophobicContact CD2-CG2 4.38Å; L269-L377 HydrophobicContact CD2-CD2 4.36Å; L269-S427 WeakPolarHBondContact CA-OG 3.5Å; L269-S427 PolarHBondContact N-OG 3.43Å; L269-Y431 HydrophobicContact CD2-CD2 4.08Å; L269-Y431 HydrophobicContact CD2-CG 4.45Å |
| 270 | T | 93.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | 177.6 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | L266 I267 P268 Y272 S273 T374 Y378 Y393 W396 E397 | L266-T270 PolarHBondContact O-N 3.49Å; L266-T270 VanDerWaalsContact O-N 3.08Å; L266-T270 PolarHBondContact O-OG1 3.46Å; I267-T270 WeakPolarHBondContact CA-OG1 3.47Å; I267-T270 PolarHBondContact O-N 3.13Å; I267-T270 VanDerWaalsContact O-N 3.11Å; I267-T270 PolarHBondContact O-OG1 2.95Å; P268-T270 PolarHBondContact O-N 2.94Å; T270-Y272 VanDerWaalsContact C-N 3.32Å; T270-S273 PolarHBondContact O-N 3.24Å; T270-T374 HydrophobicContact CG2-CG2 3.95Å; T270-Y378 HydrophobicContact CG2-CE2 3.54Å; T270-Y378 WeakPolarHBondContact CG2-OH 3.22Å; T270-Y393 HydrophobicContact CG2-CD2 3.74Å; T270-Y393 HydrophobicContact CG2-CE2 4.41Å; T270-W396 WeakPolarHBondContact OG1-CB 3.15Å; T270-E397 WeakPolarHBondContact O-CA 3.24Å |
| 271 | M | 95.4 | Very high | 92.7 | Very high | 33 Ų | 33 | 22 Ų | 22 | 16% | 0.163 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.7 | -39.3 | 174.7 | -73 | -179.1 | 64.3 | 0 | 0 | 110.9 | I267 P268 S273 G274 F275 W396 L399 I403 | I267-M271 HydrophobicContact CG2-CG 4.01Å; I267-M271 HydrophobicContact CG2-SD 3.57Å; I267-M271 VanDerWaalsContact CG2-SD 3.57Å; I267-M271 WeakPolarHBondContact O-CG 2.96Å; I267-M271 PolarHBondContact O-N 3.3Å; P268-M271 PolarHBondContact O-N 3.25Å; M271-S273 VanDerWaalsContact C-N 3.25Å; M271-S273 PolarHBondContact O-N 3.39Å; M271-G274 WeakPolarHBondContact O-CA 3.22Å; M271-G274 PolarHBondContact O-N 3.44Å; M271-F275 HydrophobicContact CB-CD2 4.35Å; M271-F275 HydrophobicContact CB-CE2 4.34Å; M271-F275 HydrophobicContact CE-CE2 3.99Å; M271-F275 VanDerWaalsContact O-CD2 3.26Å; M271-F275 WeakPolarHBondContact O-CD2 3.31Å; M271-F275 PolarHBondContact O-N 2.98Å; M271-W396 HydrophobicContact CG-CB 4.31Å; M271-W396 WeakPolarHBondContact CG-O 3.3Å; M271-W396 HydrophobicContact SD-CE3 4.27Å; M271-L399 HydrophobicContact CE-CD2 4.17Å; M271-L399 HydrophobicContact CE-CG 4.33Å; M271-L399 HydrophobicContact SD-CD2 4.31Å; M271-I403 HydrophobicContact CE-CD1 3.6Å |
| 272 | Y | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -54.6 | -41.2 | 178.1 | -179.4 | -107.8 | 0 | 0 | 0 | 112.4 | P268 L269 T270 G274 F275 E276 N336 W370 V420 V423 L424 | P268-Y272 WeakPolarHBondContact O-CB 3.17Å; P268-Y272 PolarHBondContact O-N 3.07Å; L269-Y272 WeakPolarHBondContact O-CB 3.29Å; L269-Y272 PolarHBondContact O-N 3.27Å; T270-Y272 VanDerWaalsContact C-N 3.32Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.5Å; Y272-F275 WeakPolarHBondContact O-CB 3.32Å; Y272-F275 PolarHBondContact O-N 2.84Å; Y272-F275 VanDerWaalsContact O-N 3.11Å; Y272-E276 HydrophobicContact CE1-CB 4.41Å; Y272-E276 PolarHBondContact O-N 3.26Å; Y272-N336 VanDerWaalsContact OH-CB 3.29Å; Y272-N336 WeakPolarHBondContact OH-CB 3.26Å; Y272-N336 PolarHBondContact OH-ND2 2.77Å; Y272-W370 HydrophobicContact CD1-CD2 4.36Å; Y272-W370 HydrophobicContact CD1-CZ2 4.44Å; Y272-W370 HydrophobicContact CE1-CD2 4.29Å; Y272-W370 AromaticContact CE1-CE2 3.7Å; Y272-W370 AromaticContact CE1-CZ2 3.93Å; Y272-W370 HydrophobicContact CE1-CZ2 3.93Å; Y272-W370 AromaticContact CE1-NE1 3.64Å; Y272-V420 HydrophobicContact CE2-CG1 3.85Å; Y272-V423 HydrophobicContact CD2-CB 4.34Å; Y272-V423 HydrophobicContact CD2-CG1 4.1Å; Y272-L424 HydrophobicContact CD1-CD1 4.29Å; Y272-L424 HydrophobicContact CD2-CB 3.97Å; Y272-L424 HydrophobicContact CE1-CD1 3.75Å; Y272-L424 HydrophobicContact CE2-CB 3.48Å; Y272-L424 VanDerWaalsContact CE2-CB 3.48Å; Y272-L424 HydrophobicContact CE2-CD1 4.06Å; Y272-L424 HydrophobicContact CE2-CG 4.23Å |
| 273 | S | 93.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.014 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.3 | -39.8 | 175.3 | -177.3 | 0 | 0 | 0 | 0 | 112.6 | L269 T270 M271 E276 Q277 Q371 | L269-S273 PolarHBondContact O-N 3.49Å; T270-S273 PolarHBondContact O-N 3.24Å; M271-S273 VanDerWaalsContact C-N 3.25Å; M271-S273 PolarHBondContact O-N 3.39Å; S273-E276 WeakPolarHBondContact O-CG 3.13Å; S273-Q277 WeakPolarHBondContact O-CB 3.42Å; S273-Q277 WeakPolarHBondContact O-CG 3.36Å; S273-Q277 PolarHBondContact O-N 3.43Å; S273-Q277 PolarHBondContact OG-NE2 2.66Å; S273-Q371 PolarHBondContact OG-OE1 2.86Å; S273-Q371 VanDerWaalsContact OG-OE1 3.04Å |
| 274 | G | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -69 | -39.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M271 Y272 S278 | M271-G274 WeakPolarHBondContact O-CA 3.22Å; M271-G274 PolarHBondContact O-N 3.44Å; Y272-G274 VanDerWaalsContact C-N 3.29Å; Y272-G274 PolarHBondContact O-N 3.5Å; G274-S278 VanDerWaalsContact O-CB 3.3Å; G274-S278 WeakPolarHBondContact O-CB 3.29Å; G274-S278 PolarHBondContact O-N 2.94Å; G274-S278 PolarHBondContact O-OG 3.02Å |
| 275 | F | 95.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 8.1 Ų | 8.1 | 3% | 0.026 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -63.3 | -44.6 | 176.5 | -86 | -77.5 | 0 | 0 | 0 | 112.8 | M271 Y272 S278 F279 I403 A404 Y407 I419 V420 V423 | M271-F275 HydrophobicContact CB-CD2 4.35Å; M271-F275 HydrophobicContact CB-CE2 4.34Å; M271-F275 HydrophobicContact CE-CE2 3.99Å; M271-F275 VanDerWaalsContact O-CD2 3.26Å; M271-F275 WeakPolarHBondContact O-CD2 3.31Å; M271-F275 PolarHBondContact O-N 2.98Å; Y272-F275 WeakPolarHBondContact O-CB 3.32Å; Y272-F275 PolarHBondContact O-N 2.84Å; Y272-F275 VanDerWaalsContact O-N 3.11Å; F275-S278 WeakPolarHBondContact CA-OG 3.38Å; F275-S278 PolarHBondContact O-OG 3.27Å; F275-F279 VanDerWaalsContact O-CB 3.32Å; F275-F279 WeakPolarHBondContact O-CB 3.31Å; F275-F279 PolarHBondContact O-N 3.12Å; F275-I403 HydrophobicContact CE1-CB 4.32Å; F275-I403 HydrophobicContact CE1-CG2 3.95Å; F275-I403 HydrophobicContact CZ-CB 3.87Å; F275-I403 HydrophobicContact CZ-CD1 4.39Å; F275-I403 HydrophobicContact CZ-CG2 3.62Å; F275-A404 HydrophobicContact CD1-CB 3.89Å; F275-A404 HydrophobicContact CE1-CB 4.14Å; F275-Y407 WeakPolarHBondContact CD1-OH 3.45Å; F275-Y407 AromaticContact CE1-CE1 3.88Å; F275-Y407 HydrophobicContact CE1-CE1 3.88Å; F275-Y407 WeakPolarHBondContact CE1-OH 3.26Å; F275-I419 HydrophobicContact CD1-CG2 4.43Å; F275-I419 HydrophobicContact CE1-CG2 3.96Å; F275-V420 HydrophobicContact CB-CG2 4.44Å; F275-V423 HydrophobicContact CD2-CB 4.49Å; F275-V423 HydrophobicContact CD2-CG1 4.01Å; F275-V423 HydrophobicContact CD2-CG2 4.21Å; F275-V423 HydrophobicContact CE2-CG1 4.4Å; F275-V423 HydrophobicContact CE2-CG2 4.09Å; F275-V423 HydrophobicContact CZ-CG2 4.39Å |
| 276 | E | 95 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -69.2 | -39.3 | -179.3 | 74.3 | 172.1 | 170.4 | 0 | 0 | 111.8 | Y272 S273 F279 L280 N336 W363 W370 | Y272-E276 HydrophobicContact CE1-CB 4.41Å; Y272-E276 PolarHBondContact O-N 3.26Å; S273-E276 WeakPolarHBondContact O-CG 3.13Å; E276-F279 PolarHBondContact O-N 2.91Å; E276-L280 PolarHBondContact O-N 3.32Å; E276-N336 PolarHBondContact OE2-ND2 2.95Å; E276-W363 HydrophobicContact CB-CZ2 3.87Å; E276-W363 PolarHBondContact O-NE1 3.48Å; E276-W370 VanDerWaalsContact CD-CD1 3.42Å; E276-W370 PolarHBondContact OE2-NE1 2.53Å |
| 277 | Q | 92.5 | Very high | 92.5 | Very high | 37 Ų | 37 | 11.5 Ų | 11.5 | 17% | 0.173 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.1 | -38 | -179.1 | -75.5 | 174.6 | 37.9 | 0 | 0 | 111.5 | S273 L280 S281 D367 F401 | S273-Q277 WeakPolarHBondContact O-CB 3.42Å; S273-Q277 WeakPolarHBondContact O-CG 3.36Å; S273-Q277 PolarHBondContact O-N 3.43Å; S273-Q277 PolarHBondContact OG-NE2 2.66Å; Q277-L280 PolarHBondContact O-N 3.2Å; Q277-S281 WeakPolarHBondContact O-CB 3.33Å; Q277-S281 PolarHBondContact O-N 3.42Å; Q277-S281 PolarHBondContact O-OG 3.49Å; Q277-D367 VanDerWaalsContact CG-OD1 3.3Å; Q277-D367 WeakPolarHBondContact CG-OD1 3.38Å; Q277-D367 PolarHBondContact NE2-OD1 3.44Å; Q277-F401 HydrophobicContact CB-CE1 3.65Å; Q277-F401 HydrophobicContact CB-CZ 3.48Å; Q277-F401 VanDerWaalsContact CB-CZ 3.48Å; Q277-F401 HydrophobicContact CG-CZ 4.34Å; Q277-F401 VanDerWaalsContact OE1-CZ 3.28Å |
| 278 | S | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.021 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 173 | 53.6 | 0 | 0 | 0 | 0 | 112.3 | G274 F275 G282 A404 | G274-S278 VanDerWaalsContact O-CB 3.3Å; G274-S278 WeakPolarHBondContact O-CB 3.29Å; G274-S278 PolarHBondContact O-N 2.94Å; G274-S278 PolarHBondContact O-OG 3.02Å; F275-S278 WeakPolarHBondContact CA-OG 3.38Å; F275-S278 PolarHBondContact O-OG 3.27Å; S278-G282 WeakPolarHBondContact O-CA 3.18Å; S278-G282 PolarHBondContact O-N 3.35Å; S278-A404 WeakPolarHBondContact OG-CB 3.47Å |
| 279 | F | 94.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 9.2 Ų | 9.2 | 2% | 0.018 | 5% | 0.045 | C | C | . | . | I | π-helix | trans | -58.8 | -49.4 | 173.1 | 176.9 | -94.3 | 0 | 0 | 0 | 110.8 | F275 E276 E283 Y284 Y288 L343 W363 V413 L417 V420 | F275-F279 VanDerWaalsContact O-CB 3.32Å; F275-F279 WeakPolarHBondContact O-CB 3.31Å; F275-F279 PolarHBondContact O-N 3.12Å; E276-F279 PolarHBondContact O-N 2.91Å; F279-E283 HydrophobicContact CD2-CB 3.85Å; F279-E283 HydrophobicContact CD2-CG 4.19Å; F279-E283 HydrophobicContact CE2-CB 3.96Å; F279-E283 HydrophobicContact CG-CB 4.49Å; F279-E283 CarbonylContact O-C 3.56Å; F279-E283 WeakPolarHBondContact O-CA 3.44Å; F279-E283 WeakPolarHBondContact O-CB 3.33Å; F279-E283 PolarHBondContact O-N 3.05Å; F279-Y284 PolarHBondContact O-N 3.49Å; F279-Y288 HydrophobicContact CZ-CE2 4.4Å; F279-L343 HydrophobicContact CE1-CD1 3.84Å; F279-L343 HydrophobicContact CZ-CD1 4.13Å; F279-W363 AromaticContact CD1-CH2 3.48Å; F279-W363 HydrophobicContact CD1-CH2 3.48Å; F279-W363 VanDerWaalsContact CD1-CH2 3.48Å; F279-W363 AromaticContact CD1-CZ2 3.66Å; F279-W363 HydrophobicContact CD1-CZ2 3.66Å; F279-W363 HydrophobicContact CD1-CZ3 4.19Å; F279-W363 AromaticContact CE1-CH2 3.8Å; F279-W363 HydrophobicContact CE1-CH2 3.8Å; F279-W363 HydrophobicContact CE1-CZ2 4.39Å; F279-W363 HydrophobicContact CE1-CZ3 4.12Å; F279-W363 HydrophobicContact CG-CH2 4.42Å; F279-W363 HydrophobicContact CG-CZ2 4.44Å; F279-V413 HydrophobicContact CE2-CG1 4.47Å; F279-L417 HydrophobicContact CD2-CD2 4.37Å; F279-L417 HydrophobicContact CE1-CD2 4.01Å; F279-L417 HydrophobicContact CE2-CD2 3.5Å; F279-L417 HydrophobicContact CE2-CG 3.79Å; F279-L417 HydrophobicContact CZ-CD2 3.3Å; F279-L417 HydrophobicContact CZ-CG 3.97Å; F279-V420 HydrophobicContact CB-CG2 4.21Å; F279-V420 HydrophobicContact CD2-CG2 4.49Å |
| 280 | L | 93.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -63.9 | -54.1 | -179.7 | -174.1 | 70.8 | 0 | 0 | 0 | 111.9 | E276 Q277 Y284 T285 M302 F305 T360 W363 | E276-L280 PolarHBondContact O-N 3.32Å; Q277-L280 PolarHBondContact O-N 3.2Å; L280-Y284 HydrophobicContact CD1-CD1 3.72Å; L280-Y284 HydrophobicContact CD1-CE1 4.38Å; L280-Y284 HydrophobicContact CD1-CG 4.04Å; L280-Y284 WeakPolarHBondContact O-CB 3.46Å; L280-T285 WeakPolarHBondContact O-CG2 3.49Å; L280-T285 PolarHBondContact O-N 3.22Å; L280-M302 HydrophobicContact CD2-CE 4.19Å; L280-M302 HydrophobicContact CD2-SD 4.14Å; L280-M302 HydrophobicContact CG-CE 4.37Å; L280-M302 HydrophobicContact CG-SD 4.02Å; L280-F305 HydrophobicContact CD2-CB 4.26Å; L280-F305 HydrophobicContact CD2-CD1 4.17Å; L280-F305 HydrophobicContact CD2-CD2 3.19Å; L280-F305 HydrophobicContact CD2-CE1 4.35Å; L280-F305 HydrophobicContact CD2-CE2 3.41Å; L280-F305 VanDerWaalsContact CD2-CE2 3.41Å; L280-F305 HydrophobicContact CD2-CG 3.62Å; L280-F305 HydrophobicContact CD2-CZ 4.01Å; L280-T360 HydrophobicContact CD1-CG2 3.88Å; L280-W363 HydrophobicContact CD1-CB 4.5Å; L280-W363 HydrophobicContact CD1-CG 4.27Å; L280-W363 HydrophobicContact CD2-CG 4.33Å |
| 281 | S | 87.3 | Confident | 91.4 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 5% | 0.049 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -73.6 | -26.6 | -174.5 | 59.8 | 0 | 0 | 0 | 0 | 114.2 | S31 Q277 T285 | S31-S281 PolarHBondContact OG-O 2.86Å; Q277-S281 WeakPolarHBondContact O-CB 3.33Å; Q277-S281 PolarHBondContact O-N 3.42Å; Q277-S281 PolarHBondContact O-OG 3.49Å; S281-T285 PolarHBondContact O-OG1 3.43Å |
| 282 | G | 85.7 | Confident | 91 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | I | π-helix | trans | -100.9 | -52.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | S31 S278 K286 | S31-G282 WeakPolarHBondContact CB-O 3.01Å; S31-G282 PolarHBondContact OG-O 3.31Å; S31-G282 VanDerWaalsContact OG-O 3.08Å; S278-G282 WeakPolarHBondContact O-CA 3.18Å; S278-G282 PolarHBondContact O-N 3.35Å; G282-K286 VanDerWaalsContact O-CB 3.31Å; G282-K286 WeakPolarHBondContact O-CB 3.37Å |
| 283 | E | 90.6 | Very high | 90.5 | Very high | 9 Ų | 9 | 10.3 Ų | 10.3 | 4% | 0.042 | 5% | 0.054 | C | C | . | . | I | π-helix | trans | -94.9 | -43.6 | -168.8 | -59.8 | -62.6 | 164.7 | 0 | 0 | 112.8 | F279 K286 N287 S408 K416 | F279-E283 HydrophobicContact CD2-CB 3.85Å; F279-E283 HydrophobicContact CD2-CG 4.19Å; F279-E283 HydrophobicContact CE2-CB 3.96Å; F279-E283 HydrophobicContact CG-CB 4.49Å; F279-E283 CarbonylContact O-C 3.56Å; F279-E283 WeakPolarHBondContact O-CA 3.44Å; F279-E283 WeakPolarHBondContact O-CB 3.33Å; F279-E283 PolarHBondContact O-N 3.05Å; E283-K286 PolarHBondContact O-N 3.43Å; E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.1Å; E283-N287 PolarHBondContact O-ND2 3.5Å; E283-N287 PolarHBondContact OE2-ND2 3.47Å; E283-S408 WeakPolarHBondContact OE1-CA 3.34Å; E283-S408 WeakPolarHBondContact OE1-CB 3.41Å; E283-S408 PolarHBondContact OE1-OG 2.86Å; E283-K416 VanDerWaalsContact CD-CD 3.42Å; E283-K416 HydrophobicContact CG-CD 3.85Å; E283-K416 WeakPolarHBondContact OE1-CD 3.24Å; E283-K416 WeakPolarHBondContact OE1-CE 3.15Å; E283-K416 IonicContact OE1-NZ 3.17Å; E283-K416 PolarHBondContact OE1-NZ 2.65Å; E283-K416 IonicContact OE2-NZ 3.27Å; E283-K416 PolarHBondContact OE2-NZ 3.27Å |
| 284 | Y | 92.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | I | π-helix | trans | -68.4 | -47.4 | -179 | 180 | -96.9 | 0 | 0 | 0 | 111.4 | F279 L280 K286 Y288 V289 V301 L343 F356 F359 T360 | F279-Y284 PolarHBondContact O-N 3.49Å; L280-Y284 HydrophobicContact CD1-CD1 3.72Å; L280-Y284 HydrophobicContact CD1-CE1 4.38Å; L280-Y284 HydrophobicContact CD1-CG 4.04Å; L280-Y284 WeakPolarHBondContact O-CB 3.46Å; Y284-K286 VanDerWaalsContact C-N 3.29Å; Y284-K286 PolarHBondContact O-N 2.97Å; Y284-Y288 HydrophobicContact CD2-CD1 4.5Å; Y284-Y288 AromaticContact CD2-CD2 3.84Å; Y284-Y288 HydrophobicContact CD2-CD2 3.84Å; Y284-Y288 AromaticContact CD2-CG 3.82Å; Y284-Y288 HydrophobicContact CD2-CG 3.82Å; Y284-Y288 HydrophobicContact CE2-CD1 4.41Å; Y284-Y288 HydrophobicContact CE2-CD2 4.49Å; Y284-Y288 HydrophobicContact CE2-CG 4.03Å; Y284-Y288 WeakPolarHBondContact O-CB 3.3Å; Y284-Y288 PolarHBondContact O-N 3.21Å; Y284-Y288 VanDerWaalsContact O-N 3.09Å; Y284-V289 HydrophobicContact CD1-CG2 3.9Å; Y284-V289 HydrophobicContact CE1-CG2 3.49Å; Y284-V289 VanDerWaalsContact CE1-CG2 3.49Å; Y284-V289 PolarHBondContact O-N 3.16Å; Y284-V289 VanDerWaalsContact O-N 3.08Å; Y284-V301 HydrophobicContact CE1-CG1 3.78Å; Y284-L343 HydrophobicContact CD2-CD2 4.19Å; Y284-L343 HydrophobicContact CE2-CD2 3.87Å; Y284-F356 VanDerWaalsContact OH-CA 3.28Å; Y284-F356 WeakPolarHBondContact OH-CA 3.37Å; Y284-F356 PolarHBondContact OH-O 2.85Å; Y284-F359 HydrophobicContact CE2-CB 4.4Å; Y284-T360 HydrophobicContact CD1-CG2 3.92Å; Y284-T360 HydrophobicContact CE1-CG2 3.23Å |
| 285 | T | 90.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.006 | 6% | 0.063 | C | C | . | . | I | π-helix | trans | -56.6 | -41.6 | 175 | 52.8 | 0 | 0 | 0 | 0 | 112.2 | S31 L280 S281 T290 V298 M302 | S31-T285 PolarHBondContact OG-OG1 3.08Å; S31-T285 VanDerWaalsContact OG-OG1 3.1Å; L280-T285 WeakPolarHBondContact O-CG2 3.49Å; L280-T285 PolarHBondContact O-N 3.22Å; S281-T285 PolarHBondContact O-OG1 3.43Å; T285-T290 WeakPolarHBondContact O-CB 3.24Å; T285-T290 PolarHBondContact O-N 3.38Å; T285-T290 PolarHBondContact O-OG1 3.42Å; T285-V298 HydrophobicContact CG2-CG1 3.79Å; T285-M302 HydrophobicContact CG2-CG 3.93Å; T285-M302 HydrophobicContact CG2-SD 3.98Å |
| 286 | K | 87.1 | Confident | 89.1 | Confident | 60 Ų | 60 | 12.9 Ų | 12.9 | 26% | 0.261 | 7% | 0.069 | S | C | . | . | I | π-helix | trans | -78.7 | -57.5 | -177.8 | -173.3 | -175.3 | -179 | 178.2 | 0 | 112.9 | S31 G282 E283 Y284 T290 C291 | S31-K286 WeakPolarHBondContact O-CD 3.3Å; G282-K286 VanDerWaalsContact O-CB 3.31Å; G282-K286 WeakPolarHBondContact O-CB 3.37Å; E283-K286 PolarHBondContact O-N 3.43Å; Y284-K286 VanDerWaalsContact C-N 3.29Å; Y284-K286 PolarHBondContact O-N 2.97Å; K286-T290 WeakPolarHBondContact O-CB 3.3Å; K286-C291 PolarHBondContact O-N 2.86Å; K286-C291 VanDerWaalsContact O-N 3.13Å |
| 287 | N | 89.2 | Confident | 88.8 | Confident | 23 Ų | 23 | 16.2 Ų | 16.2 | 12% | 0.123 | 8% | 0.082 | C | C | . | . | I | π-helix | trans | -89.4 | -18.4 | -166 | -53.5 | -73.1 | 0 | 0 | 0 | 113.7 | G179 E283 C291 V413 | G179-N287 PolarHBondContact N-O 3.5Å; E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.1Å; E283-N287 PolarHBondContact O-ND2 3.5Å; E283-N287 PolarHBondContact OE2-ND2 3.47Å; N287-C291 VanDerWaalsContact O-CB 3.22Å; N287-C291 WeakPolarHBondContact O-CB 3.33Å; N287-V413 HydrophobicContact CB-CG2 3.8Å; N287-V413 VanDerWaalsContact CG-CG2 3.48Å; N287-V413 WeakPolarHBondContact ND2-CG2 3.07Å |
| 288 | Y | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -104.8 | -59.7 | 174.7 | -66.3 | -102.7 | 0 | 0 | 0 | 110.3 | G179 A180 F279 Y284 A292 L343 W346 P348 V413 | G179-Y288 VanDerWaalsContact CA-CZ 3.47Å; A180-Y288 PolarHBondContact N-OH 3.43Å; A180-Y288 VanDerWaalsContact N-OH 3.16Å; F279-Y288 HydrophobicContact CZ-CE2 4.4Å; Y284-Y288 HydrophobicContact CD2-CD1 4.5Å; Y284-Y288 AromaticContact CD2-CD2 3.84Å; Y284-Y288 HydrophobicContact CD2-CD2 3.84Å; Y284-Y288 AromaticContact CD2-CG 3.82Å; Y284-Y288 HydrophobicContact CD2-CG 3.82Å; Y284-Y288 HydrophobicContact CE2-CD1 4.41Å; Y284-Y288 HydrophobicContact CE2-CD2 4.49Å; Y284-Y288 HydrophobicContact CE2-CG 4.03Å; Y284-Y288 WeakPolarHBondContact O-CB 3.3Å; Y284-Y288 PolarHBondContact O-N 3.21Å; Y284-Y288 VanDerWaalsContact O-N 3.09Å; Y288-A292 VanDerWaalsContact O-CB 3.29Å; Y288-A292 WeakPolarHBondContact O-CB 3.5Å; Y288-A292 PolarHBondContact O-N 2.99Å; Y288-L343 HydrophobicContact CD1-CD2 4.02Å; Y288-L343 HydrophobicContact CE1-CB 4.38Å; Y288-L343 HydrophobicContact CE1-CD2 3.68Å; Y288-L343 PolarHBondContact OH-O 3.42Å; Y288-L343 VanDerWaalsContact OH-O 3.13Å; Y288-W346 AromaticContact CD1-CE3 3.99Å; Y288-W346 HydrophobicContact CD1-CE3 3.99Å; Y288-W346 AromaticContact CD1-CZ3 3.83Å; Y288-W346 HydrophobicContact CD1-CZ3 3.83Å; Y288-W346 HydrophobicContact CE1-CE3 4.23Å; Y288-P348 HydrophobicContact CD1-CB 4.37Å; Y288-P348 HydrophobicContact CD1-CG 4.22Å; Y288-V413 HydrophobicContact CE2-CG1 3.82Å |
| 289 | V | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | I | π-helix | trans | -73.9 | -60.3 | -171.7 | -174.6 | 0 | 0 | 0 | 0 | 111.7 | Y284 C291 A292 L293 G294 V298 V301 F356 | Y284-V289 HydrophobicContact CD1-CG2 3.9Å; Y284-V289 HydrophobicContact CE1-CG2 3.49Å; Y284-V289 VanDerWaalsContact CE1-CG2 3.49Å; Y284-V289 PolarHBondContact O-N 3.16Å; Y284-V289 VanDerWaalsContact O-N 3.08Å; V289-C291 VanDerWaalsContact C-N 3.29Å; V289-C291 PolarHBondContact O-N 2.88Å; V289-A292 PolarHBondContact O-N 2.8Å; V289-L293 WeakPolarHBondContact O-CA 3.23Å; V289-L293 WeakPolarHBondContact O-CB 3.48Å; V289-L293 PolarHBondContact O-N 2.99Å; V289-G294 PolarHBondContact O-N 3.18Å; V289-V298 HydrophobicContact CB-CG2 4.44Å; V289-V298 HydrophobicContact CG1-CG2 4.07Å; V289-V301 HydrophobicContact CG1-CB 4.43Å; V289-V301 HydrophobicContact CG1-CG2 4.04Å; V289-V301 HydrophobicContact CG2-CB 4.33Å; V289-V301 HydrophobicContact CG2-CG1 3.92Å; V289-V301 HydrophobicContact CG2-CG2 4.33Å; V289-F356 HydrophobicContact CG2-CD1 4.21Å |
| 290 | T | 87.8 | Confident | 88.4 | Confident | 11 Ų | 11 | 17.2 Ų | 17.2 | 7% | 0.067 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -62.4 | -38.9 | -178.7 | -64.4 | 0 | 0 | 0 | 0 | 111.3 | S32 T285 K286 G294 I295 V298 | S32-T290 WeakPolarHBondContact CB-OG1 3.48Å; S32-T290 PolarHBondContact OG-OG1 3.31Å; T285-T290 WeakPolarHBondContact O-CB 3.24Å; T285-T290 PolarHBondContact O-N 3.38Å; T285-T290 PolarHBondContact O-OG1 3.42Å; K286-T290 WeakPolarHBondContact O-CB 3.3Å; T290-G294 WeakPolarHBondContact O-CA 3.35Å; T290-G294 PolarHBondContact O-N 2.73Å; T290-I295 HydrophobicContact CG2-CB 4.25Å; T290-V298 WeakPolarHBondContact OG1-CG2 3.37Å |
| 291 | C | 85.5 | Confident | 88.4 | Confident | 32 Ų | 32 | 17.1 Ų | 17.1 | 22% | 0.216 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.2 | -41 | 179.4 | -164.4 | 0 | 0 | 0 | 0 | 113.2 | C178 K286 N287 V289 | C178-C291 WeakPolarHBondContact CA-SG 3.34Å; C178-C291 HydrophobicContact CB-CB 3.76Å; C178-C291 WeakPolarHBondContact CB-SG 3.46Å; C178-C291 WeakPolarHBondContact SG-CB 3.25Å; C178-C291 PolarHBondContact SG-O 3.42Å; C178-C291 CovalentContact SG-SG 2.03Å; C178-C291 PolarHBondContact SG-SG 3.42Å; K286-C291 PolarHBondContact O-N 2.86Å; K286-C291 VanDerWaalsContact O-N 3.13Å; N287-C291 VanDerWaalsContact O-CB 3.22Å; N287-C291 WeakPolarHBondContact O-CB 3.33Å; V289-C291 VanDerWaalsContact C-N 3.29Å; V289-C291 PolarHBondContact O-N 2.88Å |
| 292 | A | 86.8 | Confident | 88.6 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.008 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -97.2 | -33.7 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | I170 L175 Y288 V289 P348 F356 | I170-A292 VanDerWaalsContact CD1-O 3.29Å; I170-A292 WeakPolarHBondContact CD1-O 3.27Å; L175-A292 HydrophobicContact CD1-CB 3.62Å; Y288-A292 VanDerWaalsContact O-CB 3.29Å; Y288-A292 WeakPolarHBondContact O-CB 3.5Å; Y288-A292 PolarHBondContact O-N 2.99Å; V289-A292 PolarHBondContact O-N 2.8Å; A292-P348 HydrophobicContact CB-CB 3.95Å; A292-P348 HydrophobicContact CB-CG 4.46Å; A292-F356 HydrophobicContact CB-CE1 4.09Å; A292-F356 HydrophobicContact CB-CZ 3.79Å |
| 293 | L | 85.4 | Confident | 88.9 | Confident | 14 Ų | 14 | 19.7 Ų | 19.7 | 7% | 0.073 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -115.5 | -15.2 | -173.2 | -56 | -178 | 0 | 0 | 0 | 113.3 | V289 H296 Y297 P350 L353 F356 | V289-L293 WeakPolarHBondContact O-CA 3.23Å; V289-L293 WeakPolarHBondContact O-CB 3.48Å; V289-L293 PolarHBondContact O-N 2.99Å; L293-H296 PolarHBondContact O-CE1 3.2Å; L293-Y297 HydrophobicContact CB-CD2 3.75Å; L293-Y297 HydrophobicContact CB-CG 3.95Å; L293-Y297 HydrophobicContact CD1-CD1 4.44Å; L293-Y297 HydrophobicContact CD1-CG 4.16Å; L293-Y297 WeakPolarHBondContact O-CD2 3.2Å; L293-P350 HydrophobicContact CD2-CB 4.2Å; L293-L353 HydrophobicContact CD1-CD2 3.95Å; L293-L353 HydrophobicContact CD2-CD2 3.44Å; L293-L353 VanDerWaalsContact CD2-CD2 3.44Å; L293-L353 HydrophobicContact CG-CD2 4.36Å; L293-F356 HydrophobicContact CD1-CB 4.41Å; L293-F356 HydrophobicContact CD1-CD1 3.99Å; L293-F356 HydrophobicContact CD1-CD2 3.84Å; L293-F356 HydrophobicContact CD1-CE1 4.16Å; L293-F356 HydrophobicContact CD1-CE2 4.01Å; L293-F356 HydrophobicContact CD1-CG 3.82Å; L293-F356 HydrophobicContact CD1-CZ 4.16Å; L293-F356 HydrophobicContact CD2-CE2 4.17Å; L293-F356 HydrophobicContact CD2-CZ 4.27Å; L293-F356 HydrophobicContact CG-CE1 4.2Å; L293-F356 HydrophobicContact CG-CE2 4.19Å; L293-F356 HydrophobicContact CG-CZ 4.01Å |
| 294 | G | 84.1 | Confident | 89 | Confident | 11 Ų | 11 | 21 Ų | 21 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | trans | 86.1 | 165.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | V289 T290 H296 Y297 | V289-G294 PolarHBondContact O-N 3.18Å; T290-G294 WeakPolarHBondContact O-CA 3.35Å; T290-G294 PolarHBondContact O-N 2.73Å; G294-H296 PolarHBondContact O-N 3.05Å; G294-Y297 PolarHBondContact O-N 3.32Å | ||
| 295 | I | 84.3 | Confident | 89 | Confident | 18 Ų | 18 | 22 Ų | 22 | 9% | 0.092 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -65.5 | -23 | -171.5 | -166.9 | 169.8 | 0 | 0 | 0 | 114 | L29 L33 F161 P202 T290 Y297 V298 | L29-I295 HydrophobicContact CD2-CD1 4.22Å; L29-I295 HydrophobicContact CD2-CG1 3.81Å; L33-I295 HydrophobicContact CB-CD1 4.18Å; L33-I295 HydrophobicContact CD1-CD1 4.23Å; F161-I295 HydrophobicContact CD2-CG1 4.43Å; F161-I295 HydrophobicContact CE2-CD1 4.32Å; F161-I295 HydrophobicContact CE2-CG1 4.44Å; P202-I295 HydrophobicContact CG-CD1 4.31Å; P202-I295 HydrophobicContact CG-CG2 3.46Å; P202-I295 VanDerWaalsContact CG-CG2 3.46Å; T290-I295 HydrophobicContact CG2-CB 4.25Å; I295-Y297 PolarHBondContact O-N 3.4Å; I295-V298 HydrophobicContact CG1-CG2 4.41Å; I295-V298 WeakPolarHBondContact O-CB 3.4Å; I295-V298 PolarHBondContact O-N 3.18Å |
| 296 | H | 85.7 | Confident | 88.9 | Confident | 34 Ų | 34 | 21.9 Ų | 21.9 | 16% | 0.157 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -68.8 | -21.4 | 179.4 | 60.6 | -83.3 | 0 | 0 | 0 | 113 | S158 F161 L293 G294 | S158-H296 WeakPolarHBondContact CB-O 3.34Å; F161-H296 HydrophobicContact CB-CB 4.05Å; L293-H296 PolarHBondContact O-CE1 3.2Å; G294-H296 PolarHBondContact O-N 3.05Å |
| 297 | Y | 88.8 | Confident | 89.1 | Confident | 70 Ų | 70 | 21.3 Ų | 21.3 | 28% | 0.275 | 12% | 0.116 | S | C | . | . | G | 310 helix | trans | -86.8 | -14.1 | 175 | -85.6 | -80.5 | 0 | 0 | 0 | 114.4 | L293 G294 I295 G299 Y300 V301 | L293-Y297 HydrophobicContact CB-CD2 3.75Å; L293-Y297 HydrophobicContact CB-CG 3.95Å; L293-Y297 HydrophobicContact CD1-CD1 4.44Å; L293-Y297 HydrophobicContact CD1-CG 4.16Å; L293-Y297 WeakPolarHBondContact O-CD2 3.2Å; G294-Y297 PolarHBondContact O-N 3.32Å; I295-Y297 PolarHBondContact O-N 3.4Å; Y297-G299 VanDerWaalsContact C-N 3.31Å; Y297-G299 PolarHBondContact O-N 3.48Å; Y297-Y300 AromaticContact CD1-CD2 3.95Å; Y297-Y300 HydrophobicContact CD1-CD2 3.95Å; Y297-Y300 HydrophobicContact CE1-CD2 4.32Å; Y297-Y300 PolarHBondContact O-N 3.36Å; Y297-V301 WeakPolarHBondContact O-CG2 3.37Å; Y297-V301 PolarHBondContact O-N 3.13Å |
| 298 | V | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -56 | -46.4 | -176.7 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | S28 L29 T285 V289 T290 I295 V301 M302 | S28-V298 WeakPolarHBondContact O-CG1 3.3Å; L29-V298 HydrophobicContact CD2-CB 4.09Å; L29-V298 HydrophobicContact CD2-CG1 4.02Å; T285-V298 HydrophobicContact CG2-CG1 3.79Å; V289-V298 HydrophobicContact CB-CG2 4.44Å; V289-V298 HydrophobicContact CG1-CG2 4.07Å; T290-V298 WeakPolarHBondContact OG1-CG2 3.37Å; I295-V298 HydrophobicContact CG1-CG2 4.41Å; I295-V298 WeakPolarHBondContact O-CB 3.4Å; I295-V298 PolarHBondContact O-N 3.18Å; V298-V301 PolarHBondContact O-N 3.16Å; V298-M302 HydrophobicContact CG1-CG 4.46Å; V298-M302 WeakPolarHBondContact O-CB 3.37Å; V298-M302 WeakPolarHBondContact O-CG 3.44Å; V298-M302 PolarHBondContact O-N 3.5Å |
| 299 | G | 89.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -72.1 | -35.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | N154 S158 Y297 V301 M302 M303 | N154-G299 VanDerWaalsContact CB-O 3.31Å; N154-G299 WeakPolarHBondContact CB-O 3.43Å; N154-G299 CarbonylContact O-C 3.58Å; N154-G299 VanDerWaalsContact O-CA 3.3Å; N154-G299 WeakPolarHBondContact O-CA 3.43Å; S158-G299 WeakPolarHBondContact OG-CA 3.37Å; S158-G299 PolarHBondContact OG-N 2.99Å; Y297-G299 VanDerWaalsContact C-N 3.31Å; Y297-G299 PolarHBondContact O-N 3.48Å; G299-V301 VanDerWaalsContact C-N 3.29Å; G299-V301 PolarHBondContact O-N 2.92Å; G299-M302 PolarHBondContact O-N 3.1Å; G299-M303 WeakPolarHBondContact O-CB 3.39Å; G299-M303 PolarHBondContact O-N 3Å |
| 300 | Y | 91 | Very high | 88.7 | Confident | 65 Ų | 65 | 22.4 Ų | 22.4 | 26% | 0.255 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -60.7 | -42.2 | 174.3 | -68.4 | -55.3 | 0 | 0 | 0 | 111.4 | L155 S158 Y297 M303 C304 | L155-Y300 HydrophobicContact CD1-CE1 4.26Å; S158-Y300 PolarHBondContact OG-N 2.98Å; Y297-Y300 AromaticContact CD1-CD2 3.95Å; Y297-Y300 HydrophobicContact CD1-CD2 3.95Å; Y297-Y300 HydrophobicContact CE1-CD2 4.32Å; Y297-Y300 PolarHBondContact O-N 3.36Å; Y300-M303 WeakPolarHBondContact O-CB 3.36Å; Y300-M303 PolarHBondContact O-N 2.97Å; Y300-C304 PolarHBondContact O-N 3.25Å |
| 301 | V | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 179.7 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | Y284 V289 Y297 V298 G299 C304 F305 F356 F357 T360 | Y284-V301 HydrophobicContact CE1-CG1 3.78Å; V289-V301 HydrophobicContact CG1-CB 4.43Å; V289-V301 HydrophobicContact CG1-CG2 4.04Å; V289-V301 HydrophobicContact CG2-CB 4.33Å; V289-V301 HydrophobicContact CG2-CG1 3.92Å; V289-V301 HydrophobicContact CG2-CG2 4.33Å; Y297-V301 WeakPolarHBondContact O-CG2 3.37Å; Y297-V301 PolarHBondContact O-N 3.13Å; V298-V301 PolarHBondContact O-N 3.16Å; G299-V301 VanDerWaalsContact C-N 3.29Å; G299-V301 PolarHBondContact O-N 2.92Å; V301-C304 WeakPolarHBondContact O-CB 3.33Å; V301-C304 PolarHBondContact O-N 3.48Å; V301-F305 PolarHBondContact O-N 3.41Å; V301-F356 HydrophobicContact CG2-CB 4.22Å; V301-F357 HydrophobicContact CG2-CD1 4.27Å; V301-F357 HydrophobicContact CG2-CE1 3.93Å; V301-F357 HydrophobicContact CG2-CE2 4.41Å; V301-F357 HydrophobicContact CG2-CZ 4Å; V301-T360 HydrophobicContact CG1-CG2 3.25Å; V301-T360 PolarHBondContact O-OG1 3.24Å |
| 302 | M | 92.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 26.3 Ų | 26.3 | 4% | 0.044 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.9 | -24 | 176.5 | -70.8 | -61 | -72.1 | 0 | 0 | 113.7 | N154 L280 T285 V298 G299 C304 F305 G306 | N154-M302 HydrophobicContact CB-CB 4.28Å; L280-M302 HydrophobicContact CD2-CE 4.19Å; L280-M302 HydrophobicContact CD2-SD 4.14Å; L280-M302 HydrophobicContact CG-CE 4.37Å; L280-M302 HydrophobicContact CG-SD 4.02Å; T285-M302 HydrophobicContact CG2-CG 3.93Å; T285-M302 HydrophobicContact CG2-SD 3.98Å; V298-M302 HydrophobicContact CG1-CG 4.46Å; V298-M302 WeakPolarHBondContact O-CB 3.37Å; V298-M302 WeakPolarHBondContact O-CG 3.44Å; V298-M302 PolarHBondContact O-N 3.5Å; G299-M302 PolarHBondContact O-N 3.1Å; M302-C304 VanDerWaalsContact C-N 3.3Å; M302-F305 HydrophobicContact CE-CD1 4.11Å; M302-F305 WeakPolarHBondContact O-CB 3.49Å; M302-F305 PolarHBondContact O-N 2.87Å; M302-G306 PolarHBondContact O-N 3.13Å |
| 303 | M | 91.8 | Very high | 88.6 | Confident | 53 Ų | 53 | 27.7 Ų | 27.7 | 26% | 0.261 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 169.2 | 179.7 | -175.4 | 69.8 | 0 | 0 | 110.5 | V151 N154 L155 G299 Y300 G306 A307 | V151-M303 HydrophobicContact CB-CG 4.29Å; V151-M303 HydrophobicContact CG1-CG 3.81Å; V151-M303 HydrophobicContact CG1-SD 4.18Å; V151-M303 HydrophobicContact CG2-CG 4.41Å; N154-M303 HydrophobicContact CB-CB 4.39Å; L155-M303 HydrophobicContact CB-SD 4.26Å; L155-M303 HydrophobicContact CD1-SD 4.2Å; G299-M303 WeakPolarHBondContact O-CB 3.39Å; G299-M303 PolarHBondContact O-N 3Å; Y300-M303 WeakPolarHBondContact O-CB 3.36Å; Y300-M303 PolarHBondContact O-N 2.97Å; M303-G306 PolarHBondContact O-N 3.28Å; M303-A307 WeakPolarHBondContact O-CB 3.26Å; M303-A307 PolarHBondContact O-N 3.5Å |
| 304 | C | 93.1 | Very high | 88.3 | Confident | 36 Ų | 36 | 32.1 Ų | 32.1 | 24% | 0.243 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.3 | -164 | 0 | 0 | 0 | 0 | 111.7 | Y300 V301 M302 G306 A307 A308 F357 | Y300-C304 PolarHBondContact O-N 3.25Å; V301-C304 WeakPolarHBondContact O-CB 3.33Å; V301-C304 PolarHBondContact O-N 3.48Å; M302-C304 VanDerWaalsContact C-N 3.3Å; C304-G306 PolarHBondContact O-N 3.29Å; C304-A307 PolarHBondContact O-N 2.97Å; C304-A308 WeakPolarHBondContact O-CB 3.26Å; C304-A308 PolarHBondContact O-N 2.88Å; C304-F357 HydrophobicContact CB-CD1 4.06Å |
| 305 | F | 92.3 | Very high | 88.3 | Confident | 22 Ų | 22 | 35.1 Ų | 35.1 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -54.5 | -52.5 | 169.9 | 167.1 | -98.2 | 0 | 0 | 0 | 111.7 | L280 V301 M302 A307 A308 N309 T360 G364 D367 | L280-F305 HydrophobicContact CD2-CB 4.26Å; L280-F305 HydrophobicContact CD2-CD1 4.17Å; L280-F305 HydrophobicContact CD2-CD2 3.19Å; L280-F305 HydrophobicContact CD2-CE1 4.35Å; L280-F305 HydrophobicContact CD2-CE2 3.41Å; L280-F305 VanDerWaalsContact CD2-CE2 3.41Å; L280-F305 HydrophobicContact CD2-CG 3.62Å; L280-F305 HydrophobicContact CD2-CZ 4.01Å; V301-F305 PolarHBondContact O-N 3.41Å; M302-F305 HydrophobicContact CE-CD1 4.11Å; M302-F305 WeakPolarHBondContact O-CB 3.49Å; M302-F305 PolarHBondContact O-N 2.87Å; F305-A307 VanDerWaalsContact C-N 3.35Å; F305-A307 PolarHBondContact O-N 2.83Å; F305-A308 PolarHBondContact O-N 2.71Å; F305-N309 WeakPolarHBondContact O-CB 3.38Å; F305-N309 PolarHBondContact O-N 3.01Å; F305-T360 WeakPolarHBondContact CA-O 3.3Å; F305-G364 VanDerWaalsContact CE2-CA 3.45Å; F305-D367 HydrophobicContact CE2-CB 3.92Å; F305-D367 HydrophobicContact CZ-CB 4.2Å |
| 306 | G | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61.1 | -40.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | M302 M303 C304 S310 | M302-G306 PolarHBondContact O-N 3.13Å; M303-G306 PolarHBondContact O-N 3.28Å; C304-G306 PolarHBondContact O-N 3.29Å; G306-S310 WeakPolarHBondContact O-CB 3.34Å; G306-S310 PolarHBondContact O-N 3.01Å; G306-S310 PolarHBondContact O-OG 2.9Å |
| 307 | A | 90.3 | Very high | 87.6 | Confident | 48 Ų | 48 | 35.8 Ų | 35.8 | 40% | 0.397 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.3 | -48.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V151 M303 C304 F305 N309 S310 L311 | V151-A307 HydrophobicContact CG2-CB 4.22Å; M303-A307 WeakPolarHBondContact O-CB 3.26Å; M303-A307 PolarHBondContact O-N 3.5Å; C304-A307 PolarHBondContact O-N 2.97Å; F305-A307 VanDerWaalsContact C-N 3.35Å; F305-A307 PolarHBondContact O-N 2.83Å; A307-N309 PolarHBondContact O-N 3.28Å; A307-S310 PolarHBondContact O-N 3.35Å; A307-L311 WeakPolarHBondContact O-CB 3.33Å; A307-L311 PolarHBondContact O-N 3.39Å |
| 308 | A | 92.1 | Very high | 87.2 | Confident | 18 Ų | 18 | 39 Ų | 39 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C304 F305 S310 L311 C312 A361 | C304-A308 WeakPolarHBondContact O-CB 3.26Å; C304-A308 PolarHBondContact O-N 2.88Å; F305-A308 PolarHBondContact O-N 2.71Å; A308-S310 PolarHBondContact O-N 2.96Å; A308-L311 PolarHBondContact O-N 3.35Å; A308-C312 WeakPolarHBondContact O-CB 2.94Å; A308-C312 PolarHBondContact O-N 3.35Å; A308-C312 PolarHBondContact O-SG 3.42Å; A308-A361 HydrophobicContact CB-CB 4.26Å; A308-A361 WeakPolarHBondContact CB-O 3.47Å |
| 309 | N | 88.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.7 | -172.1 | 3.4 | 0 | 0 | 0 | 112.1 | Q147 F305 A307 S313 G364 D367 A368 | Q147-N309 PolarHBondContact NE2-ND2 3.25Å; F305-N309 WeakPolarHBondContact O-CB 3.38Å; F305-N309 PolarHBondContact O-N 3.01Å; A307-N309 PolarHBondContact O-N 3.28Å; N309-S313 WeakPolarHBondContact O-CB 3.35Å; N309-S313 PolarHBondContact O-N 3.24Å; N309-S313 PolarHBondContact O-OG 3Å; N309-S313 PolarHBondContact OD1-OG 3.08Å; N309-G364 VanDerWaalsContact CA-O 3.29Å; N309-G364 WeakPolarHBondContact CA-O 3.43Å; N309-G364 WeakPolarHBondContact CB-O 3.37Å; N309-D367 PolarHBondContact ND2-OD2 2.88Å; N309-A368 WeakPolarHBondContact OD1-CA 3.37Å; N309-A368 VanDerWaalsContact OD1-CB 3.23Å; N309-A368 WeakPolarHBondContact OD1-CB 3.43Å; N309-A368 PolarHBondContact OD1-N 3.4Å |
| 310 | S | 83.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -48.1 | 178 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Q147 G306 A307 A308 F314 | Q147-S310 WeakPolarHBondContact CB-OG 3.4Å; Q147-S310 WeakPolarHBondContact CG-OG 3.32Å; G306-S310 WeakPolarHBondContact O-CB 3.34Å; G306-S310 PolarHBondContact O-N 3.01Å; G306-S310 PolarHBondContact O-OG 2.9Å; A307-S310 PolarHBondContact O-N 3.35Å; A308-S310 PolarHBondContact O-N 2.96Å; S310-F314 PolarHBondContact O-N 3.18Å |
| 311 | L | 87 | Confident | 86.1 | Confident | 109 Ų | 109 | 48.3 Ų | 48.3 | 57% | 0.571 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.8 | -46.2 | -179.3 | -178.7 | 63 | 0 | 0 | 0 | 111.2 | A307 A308 F314 L315 | A307-L311 WeakPolarHBondContact O-CB 3.33Å; A307-L311 PolarHBondContact O-N 3.39Å; A308-L311 PolarHBondContact O-N 3.35Å; L311-F314 PolarHBondContact O-N 2.77Å; L311-L315 HydrophobicContact CD1-CD1 4.18Å; L311-L315 HydrophobicContact CG-CD1 3.92Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.09Å; L311-L315 VanDerWaalsContact O-N 3.1Å |
| 312 | C | 88.4 | Confident | 85.7 | Confident | 16 Ų | 16 | 57.4 Ų | 57.4 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.8 | -36.6 | -178.9 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | A308 F314 L315 F316 M365 A368 | A308-C312 WeakPolarHBondContact O-CB 2.94Å; A308-C312 PolarHBondContact O-N 3.35Å; A308-C312 PolarHBondContact O-SG 3.42Å; C312-F314 VanDerWaalsContact C-N 3.26Å; C312-F314 PolarHBondContact O-N 2.93Å; C312-L315 PolarHBondContact O-N 2.97Å; C312-F316 HydrophobicContact CB-CD2 3.72Å; C312-F316 HydrophobicContact CB-CE2 3.61Å; C312-F316 WeakPolarHBondContact O-CB 3.35Å; C312-F316 VanDerWaalsContact O-CD2 3.31Å; C312-F316 WeakPolarHBondContact O-CD2 3.38Å; C312-F316 PolarHBondContact O-N 3.1Å; C312-M365 HydrophobicContact CB-CG 4.37Å; C312-A368 HydrophobicContact CB-CB 3.67Å |
| 313 | S | 82.6 | Confident | 85.4 | Confident | 31 Ų | 31 | 60.4 Ų | 60.4 | 22% | 0.217 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.1 | -38.6 | 176.4 | -73.2 | 0 | 0 | 0 | 0 | 111.9 | N309 G317 A368 | N309-S313 WeakPolarHBondContact O-CB 3.35Å; N309-S313 PolarHBondContact O-N 3.24Å; N309-S313 PolarHBondContact O-OG 3Å; N309-S313 PolarHBondContact OD1-OG 3.08Å; S313-G317 PolarHBondContact O-N 2.69Å; S313-A368 WeakPolarHBondContact OG-CB 3.44Å |
| 314 | F | 78.6 | Confident | 85.1 | Confident | 106 Ų | 106 | 59.4 Ų | 59.4 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.6 | -44.7 | 175.1 | 179.7 | -99 | 0 | 0 | 0 | 112.6 | S310 L311 C312 R318 | S310-F314 PolarHBondContact O-N 3.18Å; L311-F314 PolarHBondContact O-N 2.77Å; C312-F314 VanDerWaalsContact C-N 3.26Å; C312-F314 PolarHBondContact O-N 2.93Å; F314-R318 VanDerWaalsContact CZ-CZ 3.44Å |
| 315 | L | 84.5 | Confident | 84.7 | Confident | 75 Ų | 75 | 60 Ų | 60 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -53.1 | -177.8 | -71.3 | 171.8 | 0 | 0 | 0 | 112 | L311 C312 G317 R318 I319 | L311-L315 HydrophobicContact CD1-CD1 4.18Å; L311-L315 HydrophobicContact CG-CD1 3.92Å; L311-L315 WeakPolarHBondContact O-CG 3.3Å; L311-L315 PolarHBondContact O-N 3.09Å; L311-L315 VanDerWaalsContact O-N 3.1Å; C312-L315 PolarHBondContact O-N 2.97Å; L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.82Å; L315-R318 WeakPolarHBondContact O-CB 3.4Å; L315-R318 PolarHBondContact O-N 3.33Å; L315-I319 HydrophobicContact CB-CD1 4.39Å; L315-I319 WeakPolarHBondContact O-CG1 3.25Å; L315-I319 PolarHBondContact O-N 3.48Å |
| 316 | F | 82.4 | Confident | 84.6 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 11% | 0.114 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -69.9 | -26.8 | -176.6 | -63.8 | -48.4 | 0 | 0 | 0 | 113.1 | C312 R318 I319 A320 L328 F331 M365 I369 | C312-F316 HydrophobicContact CB-CD2 3.72Å; C312-F316 HydrophobicContact CB-CE2 3.61Å; C312-F316 WeakPolarHBondContact O-CB 3.35Å; C312-F316 VanDerWaalsContact O-CD2 3.31Å; C312-F316 WeakPolarHBondContact O-CD2 3.38Å; C312-F316 PolarHBondContact O-N 3.1Å; F316-R318 PolarHBondContact O-N 2.74Å; F316-I319 HydrophobicContact CD1-CB 4.45Å; F316-I319 HydrophobicContact CD1-CD1 3.84Å; F316-I319 HydrophobicContact CE1-CD1 4.15Å; F316-I319 PolarHBondContact O-N 3.31Å; F316-A320 VanDerWaalsContact O-CB 3.26Å; F316-A320 WeakPolarHBondContact O-CB 3.43Å; F316-A320 PolarHBondContact O-N 2.92Å; F316-L328 HydrophobicContact CB-CD1 4.36Å; F316-L328 HydrophobicContact CD1-CD2 3.89Å; F316-L328 HydrophobicContact CE1-CD2 4.48Å; F316-L328 HydrophobicContact CG-CD2 4.43Å; F316-F331 HydrophobicContact CZ-CE1 4.14Å; F316-M365 HydrophobicContact CE2-CG 3.58Å; F316-M365 HydrophobicContact CE2-SD 4.43Å; F316-M365 HydrophobicContact CZ-CG 3.96Å; F316-M365 HydrophobicContact CZ-SD 4.21Å; F316-I369 HydrophobicContact CB-CG1 4.33Å; F316-I369 HydrophobicContact CD2-CD1 3.81Å; F316-I369 HydrophobicContact CD2-CG1 3.41Å; F316-I369 VanDerWaalsContact CD2-CG1 3.41Å; F316-I369 HydrophobicContact CE2-CD1 3.72Å; F316-I369 HydrophobicContact CE2-CG1 3.82Å; F316-I369 HydrophobicContact CG-CD1 4.33Å; F316-I369 HydrophobicContact CG-CG1 3.97Å; F316-I369 HydrophobicContact CZ-CD1 4.2Å |
| 317 | G | 72.6 | Confident | 84.7 | Confident | 39 Ų | 39 | 62.9 Ų | 62.9 | 40% | 0.402 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.9 | -34.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | S313 L315 | S313-G317 PolarHBondContact O-N 2.69Å; L315-G317 VanDerWaalsContact C-N 3.3Å; L315-G317 PolarHBondContact O-N 2.82Å |
| 318 | R | 79.1 | Confident | 84.8 | Confident | 137 Ų | 137 | 61 Ų | 61 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -83.6 | -41.3 | 175.3 | -69.8 | -175.2 | 174.2 | -174 | -1.7 | 112.7 | F314 L315 F316 A320 R321 | F314-R318 VanDerWaalsContact CZ-CZ 3.44Å; L315-R318 WeakPolarHBondContact O-CB 3.4Å; L315-R318 PolarHBondContact O-N 3.33Å; F316-R318 PolarHBondContact O-N 2.74Å; R318-A320 VanDerWaalsContact C-N 3.3Å; R318-A320 PolarHBondContact O-N 3.27Å; R318-R321 WeakPolarHBondContact O-CB 3.29Å; R318-R321 PolarHBondContact O-N 2.79Å |
| 319 | I | 84.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 60.1 Ų | 60.1 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -34.2 | -178.1 | -66.1 | 166.1 | 0 | 0 | 0 | 111.1 | L315 F316 R321 Y322 T323 L328 | L315-I319 HydrophobicContact CB-CD1 4.39Å; L315-I319 WeakPolarHBondContact O-CG1 3.25Å; L315-I319 PolarHBondContact O-N 3.48Å; F316-I319 HydrophobicContact CD1-CB 4.45Å; F316-I319 HydrophobicContact CD1-CD1 3.84Å; F316-I319 HydrophobicContact CE1-CD1 4.15Å; F316-I319 PolarHBondContact O-N 3.31Å; I319-R321 PolarHBondContact O-N 2.92Å; I319-Y322 PolarHBondContact O-N 3.26Å; I319-T323 HydrophobicContact CG2-CG2 3.66Å; I319-T323 PolarHBondContact O-N 3.04Å; I319-T323 PolarHBondContact O-OG1 3.43Å; I319-L328 HydrophobicContact CG2-CD2 4.34Å |
| 320 | A | 81.6 | Confident | 85.2 | Confident | 19 Ų | 19 | 65.2 Ų | 65.2 | 16% | 0.157 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -52.6 | -28.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | F316 R318 Y322 G324 L328 | F316-A320 VanDerWaalsContact O-CB 3.26Å; F316-A320 WeakPolarHBondContact O-CB 3.43Å; F316-A320 PolarHBondContact O-N 2.92Å; R318-A320 VanDerWaalsContact C-N 3.3Å; R318-A320 PolarHBondContact O-N 3.27Å; A320-Y322 VanDerWaalsContact C-N 3.26Å; A320-Y322 PolarHBondContact O-N 3.02Å; A320-G324 VanDerWaalsContact O-CA 3.29Å; A320-G324 WeakPolarHBondContact O-CA 3.33Å; A320-G324 PolarHBondContact O-N 2.87Å; A320-L328 HydrophobicContact CB-CD1 3.56Å |
| 321 | R | 81 | Confident | 85.8 | Confident | 180 Ų | 180 | 68.6 Ų | 68.6 | 68% | 0.679 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -69.1 | -23.2 | 176.7 | -63.1 | -174.8 | -66.9 | 177.4 | -0 | 113.5 | R318 I319 | R318-R321 WeakPolarHBondContact O-CB 3.29Å; R318-R321 PolarHBondContact O-N 2.79Å; I319-R321 PolarHBondContact O-N 2.92Å |
| 322 | Y | 85.3 | Confident | 86.2 | Confident | 193 Ų | 193 | 63.4 Ų | 63.4 | 76% | 0.757 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -102.3 | -42.3 | -178.7 | -59.2 | -73.1 | 0 | 0 | 0 | 112.2 | I319 A320 | I319-Y322 PolarHBondContact O-N 3.26Å; A320-Y322 VanDerWaalsContact C-N 3.26Å; A320-Y322 PolarHBondContact O-N 3.02Å |
| 323 | T | 86.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 63 Ų | 63 | 44% | 0.436 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -91.2 | -15.7 | -175.3 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | I319 | I319-T323 HydrophobicContact CG2-CG2 3.66Å; I319-T323 PolarHBondContact O-N 3.04Å; I319-T323 PolarHBondContact O-OG1 3.43Å |
| 324 | G | 85.4 | Confident | 87.3 | Confident | 33 Ų | 33 | 64.2 Ų | 64.2 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | trans | 75.9 | 165.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A320 | A320-G324 VanDerWaalsContact O-CA 3.29Å; A320-G324 WeakPolarHBondContact O-CA 3.33Å; A320-G324 PolarHBondContact O-N 2.87Å | ||
| 325 | R | 85.3 | Confident | 88.2 | Confident | 47 Ų | 47 | 60 Ų | 60 | 18% | 0.177 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.2 | -42.6 | -176.6 | -171.1 | -177.4 | -55.6 | 137.4 | -0.3 | 112.8 | A327 L328 F329 Q373 | R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 3Å; R325-L328 WeakPolarHBondContact O-CB 3.44Å; R325-L328 PolarHBondContact O-N 2.79Å; R325-L328 VanDerWaalsContact O-N 3.12Å; R325-F329 VanDerWaalsContact CD-CE2 3.48Å; R325-F329 HydrophobicContact CG-CD2 3.76Å; R325-F329 HydrophobicContact CG-CE2 3.5Å; R325-F329 HydrophobicContact CG-CZ 4.38Å; R325-F329 PolarHBondContact O-N 3.24Å; R325-F329 VanDerWaalsContact O-N 3.12Å; R325-Q373 HydrophobicContact CG-CB 3.86Å; R325-Q373 HydrophobicContact CG-CG 4.23Å |
| 326 | A | 89.4 | Confident | 88.8 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 26% | 0.256 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L328 F329 F330 Y431 | A326-L328 VanDerWaalsContact C-N 3.28Å; A326-L328 PolarHBondContact O-N 2.97Å; A326-F329 PolarHBondContact O-N 3.18Å; A326-F329 VanDerWaalsContact O-N 3.17Å; A326-F330 WeakPolarHBondContact O-CD2 3.44Å; A326-F330 PolarHBondContact O-N 3.21Å; A326-Y431 WeakPolarHBondContact CA-OH 3.37Å; A326-Y431 HydrophobicContact CB-CE1 4.23Å |
| 327 | A | 91.6 | Very high | 89.5 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R325 F330 F331 | R325-A327 VanDerWaalsContact C-N 3.34Å; R325-A327 PolarHBondContact O-N 3Å; A327-F330 PolarHBondContact O-N 3.34Å; A327-F331 WeakPolarHBondContact O-CB 3.35Å; A327-F331 PolarHBondContact O-N 3.38Å |
| 328 | L | 91.9 | Very high | 90.6 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 5% | 0.047 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67 | -43 | 177.1 | -64.9 | 176.3 | 0 | 0 | 0 | 111.5 | F316 I319 A320 R325 A326 F330 F331 A332 I369 Q373 | F316-L328 HydrophobicContact CB-CD1 4.36Å; F316-L328 HydrophobicContact CD1-CD2 3.89Å; F316-L328 HydrophobicContact CE1-CD2 4.48Å; F316-L328 HydrophobicContact CG-CD2 4.43Å; I319-L328 HydrophobicContact CG2-CD2 4.34Å; A320-L328 HydrophobicContact CB-CD1 3.56Å; R325-L328 WeakPolarHBondContact O-CB 3.44Å; R325-L328 PolarHBondContact O-N 2.79Å; R325-L328 VanDerWaalsContact O-N 3.12Å; A326-L328 VanDerWaalsContact C-N 3.28Å; A326-L328 PolarHBondContact O-N 2.97Å; L328-F330 PolarHBondContact O-N 3.2Å; L328-F331 WeakPolarHBondContact O-CB 3.17Å; L328-F331 PolarHBondContact O-N 2.85Å; L328-A332 PolarHBondContact O-N 3.25Å; L328-I369 HydrophobicContact CB-CG2 3.85Å; L328-Q373 HydrophobicContact CB-CG 4.45Å; L328-Q373 HydrophobicContact CD1-CG 4.2Å |
| 329 | F | 93.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -41.4 | 176.1 | -77.4 | -51.4 | 0 | 0 | 0 | 112.7 | L269 R325 A326 F331 A332 A333 I369 W370 Q373 Y431 | L269-F329 HydrophobicContact CD1-CE1 4.5Å; L269-F329 HydrophobicContact CD2-CE1 4.45Å; L269-F329 HydrophobicContact CD2-CZ 4.1Å; R325-F329 VanDerWaalsContact CD-CE2 3.48Å; R325-F329 HydrophobicContact CG-CD2 3.76Å; R325-F329 HydrophobicContact CG-CE2 3.5Å; R325-F329 HydrophobicContact CG-CZ 4.38Å; R325-F329 PolarHBondContact O-N 3.24Å; R325-F329 VanDerWaalsContact O-N 3.12Å; A326-F329 PolarHBondContact O-N 3.18Å; A326-F329 VanDerWaalsContact O-N 3.17Å; F329-F331 VanDerWaalsContact C-N 3.31Å; F329-F331 PolarHBondContact O-N 3.33Å; F329-A332 PolarHBondContact O-N 3.46Å; F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.16Å; F329-I369 HydrophobicContact CD1-CG2 4.22Å; F329-W370 HydrophobicContact CB-CZ3 4.12Å; F329-W370 HydrophobicContact CD1-CD2 4.42Å; F329-W370 AromaticContact CD1-CE3 3.32Å; F329-W370 HydrophobicContact CD1-CE3 3.32Å; F329-W370 HydrophobicContact CD1-CH2 4.3Å; F329-W370 AromaticContact CD1-CZ3 3.23Å; F329-W370 HydrophobicContact CD1-CZ3 3.23Å; F329-W370 AromaticContact CE1-CE3 3.58Å; F329-W370 HydrophobicContact CE1-CE3 3.58Å; F329-W370 AromaticContact CE1-CZ3 3.89Å; F329-W370 HydrophobicContact CE1-CZ3 3.89Å; F329-W370 HydrophobicContact CG-CE3 4.49Å; F329-W370 HydrophobicContact CG-CZ3 4.03Å; F329-W370 WeakPolarHBondContact O-CH2 3.42Å; F329-Q373 HydrophobicContact CD1-CB 4.39Å; F329-Q373 HydrophobicContact CE1-CB 3.71Å; F329-Q373 HydrophobicContact CE2-CB 3.98Å; F329-Q373 HydrophobicContact CZ-CB 3.5Å; F329-Q373 VanDerWaalsContact CZ-CB 3.5Å; F329-Y431 HydrophobicContact CB-CD1 4.34Å; F329-Y431 HydrophobicContact CB-CE1 4.02Å; F329-Y431 HydrophobicContact CD2-CD1 4.09Å; F329-Y431 HydrophobicContact CD2-CD2 4.28Å; F329-Y431 AromaticContact CD2-CE1 3.46Å; F329-Y431 HydrophobicContact CD2-CE1 3.46Å; F329-Y431 VanDerWaalsContact CD2-CE1 3.46Å; F329-Y431 AromaticContact CD2-CE2 3.71Å; F329-Y431 HydrophobicContact CD2-CE2 3.71Å; F329-Y431 HydrophobicContact CD2-CG 4.47Å; F329-Y431 AromaticContact CD2-CZ 3.27Å; F329-Y431 WeakPolarHBondContact CD2-OH 3.1Å; F329-Y431 HydrophobicContact CE2-CD2 4.16Å; F329-Y431 HydrophobicContact CE2-CE1 4.22Å; F329-Y431 AromaticContact CE2-CE2 3.59Å; F329-Y431 HydrophobicContact CE2-CE2 3.59Å; F329-Y431 AromaticContact CE2-CZ 3.64Å; F329-Y431 HydrophobicContact CG-CE1 4.14Å |
| 330 | F | 94.9 | Very high | 92 | Very high | 109 Ų | 109 | 50.3 Ų | 50.3 | 48% | 0.478 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62 | -39.6 | 173.5 | -79 | -70.6 | 0 | 0 | 0 | 112.2 | A326 A327 L328 A333 A334 M428 P432 | A326-F330 WeakPolarHBondContact O-CD2 3.44Å; A326-F330 PolarHBondContact O-N 3.21Å; A327-F330 PolarHBondContact O-N 3.34Å; L328-F330 PolarHBondContact O-N 3.2Å; F330-A333 PolarHBondContact O-N 3.18Å; F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 2.66Å; F330-M428 HydrophobicContact CB-CE 4.49Å; F330-M428 HydrophobicContact CD1-CE 3.15Å; F330-M428 HydrophobicContact CE1-CE 3.28Å; F330-M428 HydrophobicContact CG-CE 3.85Å; F330-M428 HydrophobicContact CZ-CE 4.06Å; F330-P432 HydrophobicContact CZ-CG 4.04Å |
| 331 | F | 95.4 | Very high | 92.7 | Very high | 95 Ų | 95 | 53.1 Ų | 53.1 | 42% | 0.417 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.8 | -43.6 | 176 | 177.3 | -110.7 | 0 | 0 | 0 | 112.6 | F316 A327 L328 F329 A334 T335 M365 I369 | F316-F331 HydrophobicContact CZ-CE1 4.14Å; A327-F331 WeakPolarHBondContact O-CB 3.35Å; A327-F331 PolarHBondContact O-N 3.38Å; L328-F331 WeakPolarHBondContact O-CB 3.17Å; L328-F331 PolarHBondContact O-N 2.85Å; F329-F331 VanDerWaalsContact C-N 3.31Å; F329-F331 PolarHBondContact O-N 3.33Å; F331-A334 PolarHBondContact O-N 2.85Å; F331-T335 WeakPolarHBondContact O-CB 3.16Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3.06Å; F331-M365 HydrophobicContact CE1-CE 3.6Å; F331-M365 HydrophobicContact CE1-SD 3.7Å; F331-M365 HydrophobicContact CZ-CE 3.65Å; F331-M365 HydrophobicContact CZ-SD 3.94Å; F331-I369 HydrophobicContact CD1-CD1 3.77Å; F331-I369 HydrophobicContact CE1-CD1 4.34Å |
| 332 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L328 F329 T335 N336 A366 I369 W370 | L328-A332 PolarHBondContact O-N 3.25Å; F329-A332 PolarHBondContact O-N 3.46Å; A332-T335 PolarHBondContact O-N 3.46Å; A332-N336 PolarHBondContact O-N 3.44Å; A332-A366 HydrophobicContact CB-CB 4.26Å; A332-I369 HydrophobicContact CB-CB 3.89Å; A332-I369 HydrophobicContact CB-CD1 3.94Å; A332-I369 HydrophobicContact CB-CG2 3.84Å; A332-W370 HydrophobicContact CB-CD2 4.11Å; A332-W370 HydrophobicContact CB-CH2 4.13Å; A332-W370 HydrophobicContact CB-CZ2 3.55Å |
| 333 | A | 96.7 | Very high | 93.8 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F329 F330 T335 N336 L337 W370 L424 M428 | F329-A333 WeakPolarHBondContact O-CB 3.42Å; F329-A333 PolarHBondContact O-N 3.16Å; F330-A333 PolarHBondContact O-N 3.18Å; A333-T335 VanDerWaalsContact C-N 3.3Å; A333-T335 PolarHBondContact O-N 3.19Å; A333-N336 PolarHBondContact O-N 3.33Å; A333-L337 WeakPolarHBondContact O-CB 3.43Å; A333-L337 PolarHBondContact O-N 2.82Å; A333-W370 HydrophobicContact CB-CH2 3.92Å; A333-W370 HydrophobicContact CB-CZ2 4.05Å; A333-W370 VanDerWaalsContact N-CZ2 3.33Å; A333-L424 HydrophobicContact CB-CD1 4Å; A333-M428 HydrophobicContact CB-CE 3.78Å; A333-M428 HydrophobicContact CB-CG 3.74Å; A333-M428 HydrophobicContact CB-SD 3.4Å; A333-M428 WeakPolarHBondContact CB-SD 3.36Å |
| 334 | A | 97.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 35.4 Ų | 35.4 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -40.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F330 F331 A338 | F330-A334 WeakPolarHBondContact O-CB 3.48Å; F330-A334 PolarHBondContact O-N 2.66Å; F331-A334 PolarHBondContact O-N 2.85Å; A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 3.28Å |
| 335 | T | 97.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.9 | -52.2 | 176.5 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | F331 A332 A333 L337 A338 C339 L362 M365 | F331-T335 WeakPolarHBondContact O-CB 3.16Å; F331-T335 PolarHBondContact O-N 3.34Å; F331-T335 PolarHBondContact O-OG1 3.06Å; A332-T335 PolarHBondContact O-N 3.46Å; A333-T335 VanDerWaalsContact C-N 3.3Å; A333-T335 PolarHBondContact O-N 3.19Å; T335-L337 VanDerWaalsContact C-N 3.35Å; T335-L337 PolarHBondContact O-N 3.12Å; T335-A338 PolarHBondContact O-N 3.12Å; T335-C339 PolarHBondContact O-N 3.35Å; T335-C339 PolarHBondContact O-SG 3.27Å; T335-C339 VanDerWaalsContact O-SG 3.33Å; T335-L362 HydrophobicContact CG2-CB 3.93Å; T335-L362 HydrophobicContact CG2-CD2 4.22Å; T335-M365 HydrophobicContact CG2-CE 3.64Å |
| 336 | N | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -37.7 | 179.5 | -81.6 | -6.5 | 0 | 0 | 0 | 112.3 | Y272 E276 A332 A333 C339 I340 A366 W370 L424 | Y272-N336 VanDerWaalsContact OH-CB 3.29Å; Y272-N336 WeakPolarHBondContact OH-CB 3.26Å; Y272-N336 PolarHBondContact OH-ND2 2.77Å; E276-N336 PolarHBondContact OE2-ND2 2.95Å; A332-N336 PolarHBondContact O-N 3.44Å; A333-N336 PolarHBondContact O-N 3.33Å; N336-C339 PolarHBondContact O-N 2.81Å; N336-I340 WeakPolarHBondContact O-CB 3.08Å; N336-I340 WeakPolarHBondContact O-CD1 3.25Å; N336-I340 WeakPolarHBondContact O-CG1 3.48Å; N336-I340 PolarHBondContact O-N 3.49Å; N336-A366 WeakPolarHBondContact OD1-CB 3.43Å; N336-W370 PolarHBondContact ND2-NE1 3.14Å; N336-L424 HydrophobicContact CB-CD2 4.22Å |
| 337 | L | 96.9 | Very high | 94.9 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 173.5 | 176.2 | 64.9 | 0 | 0 | 0 | 111.1 | A333 T335 C339 I340 I341 L421 L424 | A333-L337 WeakPolarHBondContact O-CB 3.43Å; A333-L337 PolarHBondContact O-N 2.82Å; T335-L337 VanDerWaalsContact C-N 3.35Å; T335-L337 PolarHBondContact O-N 3.12Å; L337-C339 PolarHBondContact O-N 3.39Å; L337-I340 PolarHBondContact O-N 3Å; L337-I341 HydrophobicContact CD1-CD1 3.86Å; L337-I341 HydrophobicContact CD1-CG1 4.37Å; L337-I341 HydrophobicContact CG-CD1 3.97Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.48Å; L337-I341 PolarHBondContact O-N 3.32Å; L337-L421 HydrophobicContact CD1-CD1 3.33Å; L337-L424 HydrophobicContact CB-CD2 4.26Å |
| 338 | A | 97 | Very high | 94.8 | Very high | 60 Ų | 60 | 42.1 Ų | 42.1 | 50% | 0.496 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62 | -43.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A334 T335 I341 A342 | A334-A338 WeakPolarHBondContact O-CB 3.27Å; A334-A338 PolarHBondContact O-N 3.28Å; T335-A338 PolarHBondContact O-N 3.12Å; A338-I341 PolarHBondContact O-N 3.49Å; A338-A342 VanDerWaalsContact O-CB 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.41Å; A338-A342 PolarHBondContact O-N 2.79Å |
| 339 | C | 96.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.027 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 175.8 | -71.7 | 0 | 0 | 0 | 0 | 112 | T335 N336 L337 A342 L343 F359 W363 | T335-C339 PolarHBondContact O-N 3.35Å; T335-C339 PolarHBondContact O-SG 3.27Å; T335-C339 VanDerWaalsContact O-SG 3.33Å; N336-C339 PolarHBondContact O-N 2.81Å; L337-C339 PolarHBondContact O-N 3.39Å; C339-A342 PolarHBondContact O-N 3.18Å; C339-L343 WeakPolarHBondContact O-CB 3.45Å; C339-L343 VanDerWaalsContact O-CG 3.24Å; C339-L343 WeakPolarHBondContact O-CG 3.29Å; C339-L343 PolarHBondContact O-N 3.48Å; C339-F359 HydrophobicContact CB-CD1 4.18Å; C339-F359 HydrophobicContact CB-CE1 4.39Å; C339-W363 HydrophobicContact CB-CE3 4.1Å; C339-W363 HydrophobicContact CB-CZ3 4.1Å |
| 340 | I | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | -179.8 | -71.3 | 162.7 | 0 | 0 | 0 | 111 | N336 L337 A342 L343 L344 W363 L417 V420 L421 L424 | N336-I340 WeakPolarHBondContact O-CB 3.08Å; N336-I340 WeakPolarHBondContact O-CD1 3.25Å; N336-I340 WeakPolarHBondContact O-CG1 3.48Å; N336-I340 PolarHBondContact O-N 3.49Å; L337-I340 PolarHBondContact O-N 3Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.19Å; I340-L343 PolarHBondContact O-N 3.02Å; I340-L344 HydrophobicContact CG2-CD1 4.41Å; I340-L344 WeakPolarHBondContact O-CG 3.12Å; I340-L344 PolarHBondContact O-N 3.25Å; I340-W363 HydrophobicContact CD1-CH2 4.49Å; I340-W363 HydrophobicContact CG1-CH2 3.98Å; I340-W363 HydrophobicContact CG1-CZ3 4.21Å; I340-L417 HydrophobicContact CG1-CD2 4.4Å; I340-L417 HydrophobicContact CG2-CB 4.37Å; I340-L417 HydrophobicContact CG2-CD2 4.12Å; I340-V420 HydrophobicContact CD1-CG1 3.89Å; I340-L421 HydrophobicContact CG2-CB 4.19Å; I340-L424 HydrophobicContact CD1-CD2 4.48Å |
| 341 | I | 95.3 | Very high | 93.8 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 41% | 0.405 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62 | -44 | 177 | -66.8 | 167.7 | 0 | 0 | 0 | 110.4 | L337 A338 L343 L344 I345 | L337-I341 HydrophobicContact CD1-CD1 3.86Å; L337-I341 HydrophobicContact CD1-CG1 4.37Å; L337-I341 HydrophobicContact CG-CD1 3.97Å; L337-I341 VanDerWaalsContact O-CG1 3.31Å; L337-I341 WeakPolarHBondContact O-CG1 3.48Å; L337-I341 PolarHBondContact O-N 3.32Å; A338-I341 PolarHBondContact O-N 3.49Å; I341-L343 PolarHBondContact O-N 2.94Å; I341-L344 WeakPolarHBondContact O-CB 3.26Å; I341-L344 PolarHBondContact O-N 3.38Å; I341-I345 HydrophobicContact CG2-CD1 3.94Å; I341-I345 WeakPolarHBondContact O-CG1 3.46Å; I341-I345 PolarHBondContact O-N 3.49Å |
| 342 | A | 95.3 | Very high | 93.5 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 31% | 0.306 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.2 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A338 C339 I340 L344 I345 W346 F359 | A338-A342 VanDerWaalsContact O-CB 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.41Å; A338-A342 PolarHBondContact O-N 2.79Å; C339-A342 PolarHBondContact O-N 3.18Å; I340-A342 VanDerWaalsContact C-N 3.33Å; I340-A342 PolarHBondContact O-N 3.19Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 PolarHBondContact O-N 3.03Å; A342-I345 PolarHBondContact O-N 3.07Å; A342-W346 WeakPolarHBondContact O-CB 3.41Å; A342-W346 PolarHBondContact O-N 2.92Å; A342-F359 HydrophobicContact CB-CE1 3.72Å; A342-F359 HydrophobicContact CB-CZ 3.65Å |
| 343 | L | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66 | -31.5 | 175.5 | -72.2 | 171.8 | 0 | 0 | 0 | 113 | F279 Y284 Y288 C339 I340 I341 I345 W346 F359 W363 L417 | F279-L343 HydrophobicContact CE1-CD1 3.84Å; F279-L343 HydrophobicContact CZ-CD1 4.13Å; Y284-L343 HydrophobicContact CD2-CD2 4.19Å; Y284-L343 HydrophobicContact CE2-CD2 3.87Å; Y288-L343 HydrophobicContact CD1-CD2 4.02Å; Y288-L343 HydrophobicContact CE1-CB 4.38Å; Y288-L343 HydrophobicContact CE1-CD2 3.68Å; Y288-L343 PolarHBondContact OH-O 3.42Å; Y288-L343 VanDerWaalsContact OH-O 3.13Å; C339-L343 WeakPolarHBondContact O-CB 3.45Å; C339-L343 VanDerWaalsContact O-CG 3.24Å; C339-L343 WeakPolarHBondContact O-CG 3.29Å; C339-L343 PolarHBondContact O-N 3.48Å; I340-L343 PolarHBondContact O-N 3.02Å; I341-L343 PolarHBondContact O-N 2.94Å; L343-I345 VanDerWaalsContact C-N 3.33Å; L343-W346 HydrophobicContact CD2-CE3 4.15Å; L343-W346 HydrophobicContact CD2-CZ3 4.44Å; L343-F359 HydrophobicContact CD2-CD1 4.33Å; L343-F359 HydrophobicContact CD2-CD2 3.92Å; L343-F359 HydrophobicContact CD2-CE1 4.34Å; L343-F359 HydrophobicContact CD2-CE2 3.89Å; L343-F359 HydrophobicContact CD2-CG 4.15Å; L343-F359 HydrophobicContact CD2-CZ 4.12Å; L343-F359 HydrophobicContact CG-CD1 4.33Å; L343-F359 HydrophobicContact CG-CE1 4.19Å; L343-F359 HydrophobicContact CG-CZ 4.31Å; L343-W363 HydrophobicContact CD1-CZ3 3.94Å; L343-L417 HydrophobicContact CB-CD1 4.27Å; L343-L417 HydrophobicContact CB-CD2 4.35Å; L343-L417 HydrophobicContact CD1-CD2 4.38Å |
| 344 | L | 93.6 | Very high | 93.1 | Very high | 35 Ų | 35 | 54.6 Ų | 54.6 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | 173.6 | -75.5 | 168.1 | 0 | 0 | 0 | 112.4 | I340 I341 A342 E414 L417 Y418 | I340-L344 HydrophobicContact CG2-CD1 4.41Å; I340-L344 WeakPolarHBondContact O-CG 3.12Å; I340-L344 PolarHBondContact O-N 3.25Å; I341-L344 WeakPolarHBondContact O-CB 3.26Å; I341-L344 PolarHBondContact O-N 3.38Å; A342-L344 VanDerWaalsContact C-N 3.32Å; A342-L344 PolarHBondContact O-N 3.03Å; L344-E414 HydrophobicContact CD2-CG 3.8Å; L344-L417 HydrophobicContact CD2-CB 3.79Å; L344-L417 HydrophobicContact CD2-CD1 3.62Å; L344-L417 HydrophobicContact CD2-CG 4.35Å; L344-L417 HydrophobicContact CG-CB 4.2Å; L344-L417 HydrophobicContact CG-CD1 3.91Å; L344-Y418 HydrophobicContact CD1-CD1 4.32Å; L344-Y418 HydrophobicContact CD1-CE1 3.8Å; L344-Y418 HydrophobicContact CD2-CE1 4.25Å |
| 345 | I | 92.9 | Very high | 93 | Very high | 134 Ų | 134 | 54 Ų | 54 | 69% | 0.687 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -90.5 | -35.3 | -175.3 | -60 | 166.6 | 0 | 0 | 0 | 111.3 | I341 A342 L343 | I341-I345 HydrophobicContact CG2-CD1 3.94Å; I341-I345 WeakPolarHBondContact O-CG1 3.46Å; I341-I345 PolarHBondContact O-N 3.49Å; A342-I345 PolarHBondContact O-N 3.07Å; L343-I345 VanDerWaalsContact C-N 3.33Å |
| 346 | W | 93.2 | Very high | 92.8 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 13% | 0.129 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 130.1 | -171.6 | 179.6 | 59.4 | 0 | 0 | 0 | 112.2 | Y288 A342 L343 P348 V355 F356 F359 | Y288-W346 AromaticContact CD1-CE3 3.99Å; Y288-W346 HydrophobicContact CD1-CE3 3.99Å; Y288-W346 AromaticContact CD1-CZ3 3.83Å; Y288-W346 HydrophobicContact CD1-CZ3 3.83Å; Y288-W346 HydrophobicContact CE1-CE3 4.23Å; A342-W346 WeakPolarHBondContact O-CB 3.41Å; A342-W346 PolarHBondContact O-N 2.92Å; L343-W346 HydrophobicContact CD2-CE3 4.15Å; L343-W346 HydrophobicContact CD2-CZ3 4.44Å; W346-P348 HydrophobicContact CE3-CB 4.45Å; W346-P348 HydrophobicContact CH2-CB 3.89Å; W346-P348 HydrophobicContact CZ2-CB 4.19Å; W346-P348 HydrophobicContact CZ3-CB 4.02Å; W346-V355 HydrophobicContact CD2-CG1 4.04Å; W346-V355 HydrophobicContact CE3-CG1 4.38Å; W346-V355 HydrophobicContact CH2-CB 4.23Å; W346-V355 HydrophobicContact CH2-CG1 3.86Å; W346-V355 HydrophobicContact CZ2-CB 3.74Å; W346-V355 HydrophobicContact CZ2-CG1 3.5Å; W346-V355 VanDerWaalsContact CZ2-CG1 3.5Å; W346-V355 HydrophobicContact CZ3-CG1 4.29Å; W346-F356 AromaticContact CH2-CD1 3.74Å; W346-F356 HydrophobicContact CH2-CD1 3.74Å; W346-F356 AromaticContact CH2-CD2 3.88Å; W346-F356 HydrophobicContact CH2-CD2 3.88Å; W346-F356 AromaticContact CH2-CE1 3.57Å; W346-F356 HydrophobicContact CH2-CE1 3.57Å; W346-F356 AromaticContact CH2-CE2 3.72Å; W346-F356 HydrophobicContact CH2-CE2 3.72Å; W346-F356 AromaticContact CH2-CG 3.9Å; W346-F356 HydrophobicContact CH2-CG 3.9Å; W346-F356 AromaticContact CH2-CZ 3.57Å; W346-F356 HydrophobicContact CH2-CZ 3.57Å; W346-F356 HydrophobicContact CZ2-CD2 4.26Å; W346-F356 HydrophobicContact CZ2-CE1 4.45Å; W346-F356 AromaticContact CZ2-CE2 3.9Å; W346-F356 HydrophobicContact CZ2-CE2 3.9Å; W346-F356 HydrophobicContact CZ2-CZ 4.01Å; W346-F356 HydrophobicContact CZ3-CD1 4.39Å; W346-F356 HydrophobicContact CZ3-CE1 4.27Å; W346-F359 HydrophobicContact CD2-CE2 4.07Å; W346-F359 HydrophobicContact CE3-CD2 4.24Å; W346-F359 AromaticContact CE3-CE2 3.66Å; W346-F359 HydrophobicContact CE3-CE2 3.66Å; W346-F359 HydrophobicContact CZ3-CD2 4.09Å; W346-F359 AromaticContact CZ3-CE2 3.97Å; W346-F359 HydrophobicContact CZ3-CE2 3.97Å |
| 347 | K | 89.1 | Confident | 92.7 | Very high | 133 Ų | 133 | 56 Ų | 56 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -97.6 | 116.9 | 170.2 | -65.7 | -173.3 | 179 | -173.3 | 0 | 108.8 | H349 | K347-H349 PolarHBondContact O-N 2.7Š|
| 348 | P | 89 | Confident | 92.7 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 130.4 | -175.9 | 28.1 | -34.1 | 0 | 0 | 0 | 110.3 | L175 C178 Y288 A292 W346 F356 | L175-P348 VanDerWaalsContact CD1-O 3.26Å; L175-P348 WeakPolarHBondContact CD1-O 3.37Å; C178-P348 HydrophobicContact CB-CG 3.53Å; Y288-P348 HydrophobicContact CD1-CB 4.37Å; Y288-P348 HydrophobicContact CD1-CG 4.22Å; A292-P348 HydrophobicContact CB-CB 3.95Å; A292-P348 HydrophobicContact CB-CG 4.46Å; W346-P348 HydrophobicContact CE3-CB 4.45Å; W346-P348 HydrophobicContact CH2-CB 3.89Å; W346-P348 HydrophobicContact CZ2-CB 4.19Å; W346-P348 HydrophobicContact CZ3-CB 4.02Å; P348-F356 HydrophobicContact CB-CE1 3.87Å; P348-F356 HydrophobicContact CB-CZ 3.73Å |
| 349 | H | 88 | Confident | 92.6 | Very high | 60 Ų | 60 | 54.6 Ų | 54.6 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | trans | -138.2 | 139.3 | 179 | -166.3 | -82.2 | 0 | 0 | 0 | 110.4 | L175 K347 D351 Q352 | L175-H349 HydrophobicContact CD2-CB 4.48Å; L175-H349 WeakPolarHBondContact CD2-CD2 3.27Å; K347-H349 PolarHBondContact O-N 2.7Å; H349-D351 VanDerWaalsContact C-N 3.28Å; H349-D351 VanDerWaalsContact CE1-CG 3.45Å; H349-D351 IonicContact CE1-OD1 3.64Å; H349-D351 IonicContact CE1-OD2 3.91Å; H349-D351 PolarHBondContact CE1-OD2 2.93Å; H349-D351 WeakPolarHBondContact ND1-CB 3.29Å; H349-D351 PolarHBondContact ND1-N 3.33Å; H349-D351 IonicContact ND1-OD2 3.47Å; H349-D351 PolarHBondContact ND1-OD2 3.31Å; H349-D351 PolarHBondContact O-N 3.23Å; H349-Q352 PolarHBondContact O-N 3.45Å | ||
| 350 | P | 85.6 | Confident | 92.5 | Very high | 47 Ų | 47 | 54.4 Ų | 54.4 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -52.8 | -40.3 | -179.9 | -28.1 | 34.1 | 0 | 0 | 0 | 114.2 | L175 L293 Q352 L353 | L175-P350 HydrophobicContact CD2-CG 4.46Å; L293-P350 HydrophobicContact CD2-CB 4.2Å; P350-Q352 PolarHBondContact O-N 3.28Å; P350-L353 VanDerWaalsContact O-CD2 3.29Å; P350-L353 WeakPolarHBondContact O-CD2 3.32Å; P350-L353 WeakPolarHBondContact O-CG 3.49Å; P350-L353 PolarHBondContact O-N 2.92Å |
| 351 | D | 87.1 | Confident | 92.5 | Very high | 137 Ų | 137 | 55.8 Ų | 55.8 | 73% | 0.733 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -59 | -18.7 | 178.7 | -60.9 | -17.5 | 0 | 0 | 0 | 114.3 | H349 | H349-D351 VanDerWaalsContact C-N 3.28Å; H349-D351 VanDerWaalsContact CE1-CG 3.45Å; H349-D351 IonicContact CE1-OD1 3.64Å; H349-D351 IonicContact CE1-OD2 3.91Å; H349-D351 PolarHBondContact CE1-OD2 2.93Å; H349-D351 WeakPolarHBondContact ND1-CB 3.29Å; H349-D351 PolarHBondContact ND1-N 3.33Å; H349-D351 IonicContact ND1-OD2 3.47Å; H349-D351 PolarHBondContact ND1-OD2 3.31Å; H349-D351 PolarHBondContact O-N 3.23Å |
| 352 | Q | 89.5 | Confident | 92.5 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 39% | 0.393 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -101.4 | 37.1 | -179.9 | -58.9 | -177.3 | 11.5 | 0 | 0 | 112 | H349 P350 P354 V355 F356 | H349-Q352 PolarHBondContact O-N 3.45Å; P350-Q352 PolarHBondContact O-N 3.28Å; Q352-P354 VanDerWaalsContact C-N 3.3Å; Q352-P354 VanDerWaalsContact O-N 3.11Å; Q352-V355 HydrophobicContact CB-CB 4.47Å; Q352-V355 HydrophobicContact CB-CG2 4Å; Q352-V355 WeakPolarHBondContact O-CB 3.33Å; Q352-V355 PolarHBondContact O-N 2.96Å; Q352-F356 WeakPolarHBondContact O-CD2 3.49Å |
| 353 | L | 89.9 | Confident | 92.6 | Very high | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.346 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -42 | -46.7 | 178.6 | -66.7 | -177.9 | 0 | 0 | 0 | 114.4 | L293 P350 V355 F356 F357 | L293-L353 HydrophobicContact CD1-CD2 3.95Å; L293-L353 HydrophobicContact CD2-CD2 3.44Å; L293-L353 VanDerWaalsContact CD2-CD2 3.44Å; L293-L353 HydrophobicContact CG-CD2 4.36Å; P350-L353 VanDerWaalsContact O-CD2 3.29Å; P350-L353 WeakPolarHBondContact O-CD2 3.32Å; P350-L353 WeakPolarHBondContact O-CG 3.49Å; P350-L353 PolarHBondContact O-N 2.92Å; L353-V355 PolarHBondContact O-N 3.47Å; L353-V355 VanDerWaalsContact O-N 3.16Å; L353-F356 PolarHBondContact O-N 2.94Å; L353-F357 VanDerWaalsContact O-CD2 3.28Å; L353-F357 WeakPolarHBondContact O-CD2 3.19Å |
| 354 | P | 93.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 58% | 0.584 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.5 | -30.5 | -176.1 | -24.3 | 36 | 0 | 0 | 0 | 113.7 | Q352 F356 F357 V358 | Q352-P354 VanDerWaalsContact C-N 3.3Å; Q352-P354 VanDerWaalsContact O-N 3.11Å; P354-F356 VanDerWaalsContact C-N 3.29Å; P354-F356 PolarHBondContact O-N 3.3Å; P354-F357 PolarHBondContact O-N 2.93Å; P354-V358 WeakPolarHBondContact O-CG2 3.48Å; P354-V358 PolarHBondContact O-N 3.5Å |
| 355 | V | 94.1 | Very high | 92.6 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | -176.3 | -178.9 | 0 | 0 | 0 | 0 | 111 | W346 Q352 L353 F357 V358 F359 | W346-V355 HydrophobicContact CD2-CG1 4.04Å; W346-V355 HydrophobicContact CE3-CG1 4.38Å; W346-V355 HydrophobicContact CH2-CB 4.23Å; W346-V355 HydrophobicContact CH2-CG1 3.86Å; W346-V355 HydrophobicContact CZ2-CB 3.74Å; W346-V355 HydrophobicContact CZ2-CG1 3.5Å; W346-V355 VanDerWaalsContact CZ2-CG1 3.5Å; W346-V355 HydrophobicContact CZ3-CG1 4.29Å; Q352-V355 HydrophobicContact CB-CB 4.47Å; Q352-V355 HydrophobicContact CB-CG2 4Å; Q352-V355 WeakPolarHBondContact O-CB 3.33Å; Q352-V355 PolarHBondContact O-N 2.96Å; L353-V355 PolarHBondContact O-N 3.47Å; L353-V355 VanDerWaalsContact O-N 3.16Å; V355-F357 VanDerWaalsContact C-N 3.28Å; V355-F357 PolarHBondContact O-N 3.21Å; V355-V358 PolarHBondContact O-N 3.11Å; V355-F359 HydrophobicContact CG1-CD2 3.7Å; V355-F359 HydrophobicContact CG1-CE2 3.35Å; V355-F359 HydrophobicContact CG1-CZ 4.34Å; V355-F359 VanDerWaalsContact O-CD2 3.26Å; V355-F359 WeakPolarHBondContact O-CD2 3.37Å; V355-F359 PolarHBondContact O-N 3.22Å; V355-F359 VanDerWaalsContact O-N 3.13Å |
| 356 | F | 94.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -36.3 | 178.2 | -65.1 | -93.9 | 0 | 0 | 0 | 112.8 | Y284 V289 A292 L293 V301 W346 P348 Q352 L353 P354 T360 | Y284-F356 VanDerWaalsContact OH-CA 3.28Å; Y284-F356 WeakPolarHBondContact OH-CA 3.37Å; Y284-F356 PolarHBondContact OH-O 2.85Å; V289-F356 HydrophobicContact CG2-CD1 4.21Å; A292-F356 HydrophobicContact CB-CE1 4.09Å; A292-F356 HydrophobicContact CB-CZ 3.79Å; L293-F356 HydrophobicContact CD1-CB 4.41Å; L293-F356 HydrophobicContact CD1-CD1 3.99Å; L293-F356 HydrophobicContact CD1-CD2 3.84Å; L293-F356 HydrophobicContact CD1-CE1 4.16Å; L293-F356 HydrophobicContact CD1-CE2 4.01Å; L293-F356 HydrophobicContact CD1-CG 3.82Å; L293-F356 HydrophobicContact CD1-CZ 4.16Å; L293-F356 HydrophobicContact CD2-CE2 4.17Å; L293-F356 HydrophobicContact CD2-CZ 4.27Å; L293-F356 HydrophobicContact CG-CE1 4.2Å; L293-F356 HydrophobicContact CG-CE2 4.19Å; L293-F356 HydrophobicContact CG-CZ 4.01Å; V301-F356 HydrophobicContact CG2-CB 4.22Å; W346-F356 AromaticContact CH2-CD1 3.74Å; W346-F356 HydrophobicContact CH2-CD1 3.74Å; W346-F356 AromaticContact CH2-CD2 3.88Å; W346-F356 HydrophobicContact CH2-CD2 3.88Å; W346-F356 AromaticContact CH2-CE1 3.57Å; W346-F356 HydrophobicContact CH2-CE1 3.57Å; W346-F356 AromaticContact CH2-CE2 3.72Å; W346-F356 HydrophobicContact CH2-CE2 3.72Å; W346-F356 AromaticContact CH2-CG 3.9Å; W346-F356 HydrophobicContact CH2-CG 3.9Å; W346-F356 AromaticContact CH2-CZ 3.57Å; W346-F356 HydrophobicContact CH2-CZ 3.57Å; W346-F356 HydrophobicContact CZ2-CD2 4.26Å; W346-F356 HydrophobicContact CZ2-CE1 4.45Å; W346-F356 AromaticContact CZ2-CE2 3.9Å; W346-F356 HydrophobicContact CZ2-CE2 3.9Å; W346-F356 HydrophobicContact CZ2-CZ 4.01Å; W346-F356 HydrophobicContact CZ3-CD1 4.39Å; W346-F356 HydrophobicContact CZ3-CE1 4.27Å; P348-F356 HydrophobicContact CB-CE1 3.87Å; P348-F356 HydrophobicContact CB-CZ 3.73Å; Q352-F356 WeakPolarHBondContact O-CD2 3.49Å; L353-F356 PolarHBondContact O-N 2.94Å; P354-F356 VanDerWaalsContact C-N 3.29Å; P354-F356 PolarHBondContact O-N 3.3Å; F356-T360 PolarHBondContact O-OG1 2.89Å |
| 357 | F | 95.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 45.6 Ų | 45.6 | 25% | 0.254 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -81.7 | -35.6 | 179.7 | -64.2 | -88 | 0 | 0 | 0 | 112.3 | V301 C304 L353 P354 V355 T360 A361 | V301-F357 HydrophobicContact CG2-CD1 4.27Å; V301-F357 HydrophobicContact CG2-CE1 3.93Å; V301-F357 HydrophobicContact CG2-CE2 4.41Å; V301-F357 HydrophobicContact CG2-CZ 4Å; C304-F357 HydrophobicContact CB-CD1 4.06Å; L353-F357 VanDerWaalsContact O-CD2 3.28Å; L353-F357 WeakPolarHBondContact O-CD2 3.19Å; P354-F357 PolarHBondContact O-N 2.93Å; V355-F357 VanDerWaalsContact C-N 3.28Å; V355-F357 PolarHBondContact O-N 3.21Å; F357-T360 PolarHBondContact O-N 3.13Å; F357-T360 PolarHBondContact O-OG1 3.19Å; F357-A361 WeakPolarHBondContact O-CB 3.34Å; F357-A361 PolarHBondContact O-N 3.44Å |
| 358 | V | 95.8 | Very high | 92.8 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 50% | 0.497 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.4 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | P354 V355 T360 A361 L362 | P354-V358 WeakPolarHBondContact O-CG2 3.48Å; P354-V358 PolarHBondContact O-N 3.5Å; V355-V358 PolarHBondContact O-N 3.11Å; V358-T360 PolarHBondContact O-N 3.38Å; V358-A361 PolarHBondContact O-N 3.08Å; V358-L362 HydrophobicContact CG1-CD1 3.92Å; V358-L362 HydrophobicContact CG1-CG 4.37Å; V358-L362 WeakPolarHBondContact O-CB 3.32Å; V358-L362 WeakPolarHBondContact O-CG 3.23Å; V358-L362 PolarHBondContact O-N 3.07Å |
| 359 | F | 95.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59 | -46.1 | 177.1 | -81.1 | -56.2 | 0 | 0 | 0 | 112.2 | Y284 C339 A342 L343 W346 V355 L362 W363 | Y284-F359 HydrophobicContact CE2-CB 4.4Å; C339-F359 HydrophobicContact CB-CD1 4.18Å; C339-F359 HydrophobicContact CB-CE1 4.39Å; A342-F359 HydrophobicContact CB-CE1 3.72Å; A342-F359 HydrophobicContact CB-CZ 3.65Å; L343-F359 HydrophobicContact CD2-CD1 4.33Å; L343-F359 HydrophobicContact CD2-CD2 3.92Å; L343-F359 HydrophobicContact CD2-CE1 4.34Å; L343-F359 HydrophobicContact CD2-CE2 3.89Å; L343-F359 HydrophobicContact CD2-CG 4.15Å; L343-F359 HydrophobicContact CD2-CZ 4.12Å; L343-F359 HydrophobicContact CG-CD1 4.33Å; L343-F359 HydrophobicContact CG-CE1 4.19Å; L343-F359 HydrophobicContact CG-CZ 4.31Å; W346-F359 HydrophobicContact CD2-CE2 4.07Å; W346-F359 HydrophobicContact CE3-CD2 4.24Å; W346-F359 AromaticContact CE3-CE2 3.66Å; W346-F359 HydrophobicContact CE3-CE2 3.66Å; W346-F359 HydrophobicContact CZ3-CD2 4.09Å; W346-F359 AromaticContact CZ3-CE2 3.97Å; W346-F359 HydrophobicContact CZ3-CE2 3.97Å; V355-F359 HydrophobicContact CG1-CD2 3.7Å; V355-F359 HydrophobicContact CG1-CE2 3.35Å; V355-F359 HydrophobicContact CG1-CZ 4.34Å; V355-F359 VanDerWaalsContact O-CD2 3.26Å; V355-F359 WeakPolarHBondContact O-CD2 3.37Å; V355-F359 PolarHBondContact O-N 3.22Å; V355-F359 VanDerWaalsContact O-N 3.13Å; F359-L362 PolarHBondContact O-N 3.25Å; F359-W363 VanDerWaalsContact O-CB 3.29Å; F359-W363 WeakPolarHBondContact O-CB 3.44Å; F359-W363 PolarHBondContact O-N 3.48Å |
| 360 | T | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73 | -30.4 | -178.6 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | L280 Y284 V301 F305 F356 F357 V358 G364 | L280-T360 HydrophobicContact CD1-CG2 3.88Å; Y284-T360 HydrophobicContact CD1-CG2 3.92Å; Y284-T360 HydrophobicContact CE1-CG2 3.23Å; V301-T360 HydrophobicContact CG1-CG2 3.25Å; V301-T360 PolarHBondContact O-OG1 3.24Å; F305-T360 WeakPolarHBondContact CA-O 3.3Å; F356-T360 PolarHBondContact O-OG1 2.89Å; F357-T360 PolarHBondContact O-N 3.13Å; F357-T360 PolarHBondContact O-OG1 3.19Å; V358-T360 PolarHBondContact O-N 3.38Å; T360-G364 PolarHBondContact O-N 2.96Å |
| 361 | A | 95.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 35.7 Ų | 35.7 | 24% | 0.24 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -47.9 | 171 | 0 | 0 | 0 | 0 | 0 | 111.7 | A308 F357 V358 G364 M365 | A308-A361 HydrophobicContact CB-CB 4.26Å; A308-A361 WeakPolarHBondContact CB-O 3.47Å; F357-A361 WeakPolarHBondContact O-CB 3.34Å; F357-A361 PolarHBondContact O-N 3.44Å; V358-A361 PolarHBondContact O-N 3.08Å; A361-G364 PolarHBondContact O-N 3.34Å; A361-M365 PolarHBondContact O-N 3.48Å |
| 362 | L | 96.7 | Very high | 92.9 | Very high | 65 Ų | 65 | 31 Ų | 31 | 34% | 0.34 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.7 | -70.7 | 175.7 | 0 | 0 | 0 | 111.6 | T335 V358 F359 G364 M365 A366 | T335-L362 HydrophobicContact CG2-CB 3.93Å; T335-L362 HydrophobicContact CG2-CD2 4.22Å; V358-L362 HydrophobicContact CG1-CD1 3.92Å; V358-L362 HydrophobicContact CG1-CG 4.37Å; V358-L362 WeakPolarHBondContact O-CB 3.32Å; V358-L362 WeakPolarHBondContact O-CG 3.23Å; V358-L362 PolarHBondContact O-N 3.07Å; F359-L362 PolarHBondContact O-N 3.25Å; L362-G364 VanDerWaalsContact C-N 3.34Å; L362-M365 HydrophobicContact CD2-CE 3.94Å; L362-M365 WeakPolarHBondContact O-CB 3.29Å; L362-M365 PolarHBondContact O-N 3.24Å; L362-A366 PolarHBondContact O-N 3.26Å |
| 363 | W | 96 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.4 Ų | 27.4 | 2% | 0.015 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 175 | -151.5 | -70.8 | 0 | 0 | 0 | 111.6 | E276 F279 L280 C339 I340 L343 F359 M365 A366 D367 | E276-W363 HydrophobicContact CB-CZ2 3.87Å; E276-W363 PolarHBondContact O-NE1 3.48Å; F279-W363 AromaticContact CD1-CH2 3.48Å; F279-W363 HydrophobicContact CD1-CH2 3.48Å; F279-W363 VanDerWaalsContact CD1-CH2 3.48Å; F279-W363 AromaticContact CD1-CZ2 3.66Å; F279-W363 HydrophobicContact CD1-CZ2 3.66Å; F279-W363 HydrophobicContact CD1-CZ3 4.19Å; F279-W363 AromaticContact CE1-CH2 3.8Å; F279-W363 HydrophobicContact CE1-CH2 3.8Å; F279-W363 HydrophobicContact CE1-CZ2 4.39Å; F279-W363 HydrophobicContact CE1-CZ3 4.12Å; F279-W363 HydrophobicContact CG-CH2 4.42Å; F279-W363 HydrophobicContact CG-CZ2 4.44Å; L280-W363 HydrophobicContact CD1-CB 4.5Å; L280-W363 HydrophobicContact CD1-CG 4.27Å; L280-W363 HydrophobicContact CD2-CG 4.33Å; C339-W363 HydrophobicContact CB-CE3 4.1Å; C339-W363 HydrophobicContact CB-CZ3 4.1Å; I340-W363 HydrophobicContact CD1-CH2 4.49Å; I340-W363 HydrophobicContact CG1-CH2 3.98Å; I340-W363 HydrophobicContact CG1-CZ3 4.21Å; L343-W363 HydrophobicContact CD1-CZ3 3.94Å; F359-W363 VanDerWaalsContact O-CB 3.29Å; F359-W363 WeakPolarHBondContact O-CB 3.44Å; F359-W363 PolarHBondContact O-N 3.48Å; W363-M365 VanDerWaalsContact C-N 3.35Å; W363-A366 PolarHBondContact O-N 3.2Å; W363-D367 WeakPolarHBondContact O-CB 3.47Å; W363-D367 PolarHBondContact O-N 3.22Å |
| 364 | G | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.9 | -36.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F305 N309 T360 A361 L362 A368 | F305-G364 VanDerWaalsContact CE2-CA 3.45Å; N309-G364 VanDerWaalsContact CA-O 3.29Å; N309-G364 WeakPolarHBondContact CA-O 3.43Å; N309-G364 WeakPolarHBondContact CB-O 3.37Å; T360-G364 PolarHBondContact O-N 2.96Å; A361-G364 PolarHBondContact O-N 3.34Å; L362-G364 VanDerWaalsContact C-N 3.34Å; G364-A368 WeakPolarHBondContact O-CB 3.27Å; G364-A368 PolarHBondContact O-N 3.02Å |
| 365 | M | 94.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 22.1 Ų | 22.1 | 15% | 0.148 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.5 | -45.1 | 172.3 | -179.4 | -172.8 | 66 | 0 | 0 | 111.7 | C312 F316 F331 T335 A361 L362 W363 A368 I369 | C312-M365 HydrophobicContact CB-CG 4.37Å; F316-M365 HydrophobicContact CE2-CG 3.58Å; F316-M365 HydrophobicContact CE2-SD 4.43Å; F316-M365 HydrophobicContact CZ-CG 3.96Å; F316-M365 HydrophobicContact CZ-SD 4.21Å; F331-M365 HydrophobicContact CE1-CE 3.6Å; F331-M365 HydrophobicContact CE1-SD 3.7Å; F331-M365 HydrophobicContact CZ-CE 3.65Å; F331-M365 HydrophobicContact CZ-SD 3.94Å; T335-M365 HydrophobicContact CG2-CE 3.64Å; A361-M365 PolarHBondContact O-N 3.48Å; L362-M365 HydrophobicContact CD2-CE 3.94Å; L362-M365 WeakPolarHBondContact O-CB 3.29Å; L362-M365 PolarHBondContact O-N 3.24Å; W363-M365 VanDerWaalsContact C-N 3.35Å; M365-A368 WeakPolarHBondContact O-CB 3.48Å; M365-I369 PolarHBondContact O-N 3.26Å |
| 366 | A | 95.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -66.2 | -47.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A332 N336 L362 W363 A368 I369 W370 | A332-A366 HydrophobicContact CB-CB 4.26Å; N336-A366 WeakPolarHBondContact OD1-CB 3.43Å; L362-A366 PolarHBondContact O-N 3.26Å; W363-A366 PolarHBondContact O-N 3.2Å; A366-A368 VanDerWaalsContact C-N 3.27Å; A366-A368 PolarHBondContact O-N 3.24Å; A366-I369 WeakPolarHBondContact O-CA 3.41Å; A366-I369 WeakPolarHBondContact O-CB 3.42Å; A366-I369 PolarHBondContact O-N 2.73Å; A366-W370 PolarHBondContact O-N 3.48Å |
| 367 | D | 93.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 3% | 0.027 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.2 | -41.3 | 176.1 | 179.3 | 73.6 | 0 | 0 | 0 | 111.8 | Q277 F305 N309 W363 I369 W370 Q371 | Q277-D367 VanDerWaalsContact CG-OD1 3.3Å; Q277-D367 WeakPolarHBondContact CG-OD1 3.38Å; Q277-D367 PolarHBondContact NE2-OD1 3.44Å; F305-D367 HydrophobicContact CE2-CB 3.92Å; F305-D367 HydrophobicContact CZ-CB 4.2Å; N309-D367 PolarHBondContact ND2-OD2 2.88Å; W363-D367 WeakPolarHBondContact O-CB 3.47Å; W363-D367 PolarHBondContact O-N 3.22Å; D367-I369 VanDerWaalsContact C-N 3.25Å; D367-I369 PolarHBondContact O-N 2.66Å; D367-W370 PolarHBondContact O-N 2.84Å; D367-Q371 WeakPolarHBondContact O-CB 3.38Å; D367-Q371 WeakPolarHBondContact O-CG 3.46Å; D367-Q371 PolarHBondContact O-N 3.26Å |
| 368 | A | 90 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -56.4 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N309 C312 S313 G364 M365 A366 T372 | N309-A368 WeakPolarHBondContact OD1-CA 3.37Å; N309-A368 VanDerWaalsContact OD1-CB 3.23Å; N309-A368 WeakPolarHBondContact OD1-CB 3.43Å; N309-A368 PolarHBondContact OD1-N 3.4Å; C312-A368 HydrophobicContact CB-CB 3.67Å; S313-A368 WeakPolarHBondContact OG-CB 3.44Å; G364-A368 WeakPolarHBondContact O-CB 3.27Å; G364-A368 PolarHBondContact O-N 3.02Å; M365-A368 WeakPolarHBondContact O-CB 3.48Å; A366-A368 VanDerWaalsContact C-N 3.27Å; A366-A368 PolarHBondContact O-N 3.24Å; A368-T372 VanDerWaalsContact O-CB 3.29Å; A368-T372 WeakPolarHBondContact O-CB 3.47Å; A368-T372 VanDerWaalsContact O-CG2 3.24Å; A368-T372 WeakPolarHBondContact O-CG2 3.31Å; A368-T372 PolarHBondContact O-N 3Å; A368-T372 PolarHBondContact O-OG1 3.42Å |
| 369 | I | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -70.6 | -50.8 | 177.9 | -64.5 | 169.1 | 0 | 0 | 0 | 109.7 | F316 L328 F329 F331 A332 M365 A366 D367 Q371 T372 Q373 | F316-I369 HydrophobicContact CB-CG1 4.33Å; F316-I369 HydrophobicContact CD2-CD1 3.81Å; F316-I369 HydrophobicContact CD2-CG1 3.41Å; F316-I369 VanDerWaalsContact CD2-CG1 3.41Å; F316-I369 HydrophobicContact CE2-CD1 3.72Å; F316-I369 HydrophobicContact CE2-CG1 3.82Å; F316-I369 HydrophobicContact CG-CD1 4.33Å; F316-I369 HydrophobicContact CG-CG1 3.97Å; F316-I369 HydrophobicContact CZ-CD1 4.2Å; L328-I369 HydrophobicContact CB-CG2 3.85Å; F329-I369 HydrophobicContact CD1-CG2 4.22Å; F331-I369 HydrophobicContact CD1-CD1 3.77Å; F331-I369 HydrophobicContact CE1-CD1 4.34Å; A332-I369 HydrophobicContact CB-CB 3.89Å; A332-I369 HydrophobicContact CB-CD1 3.94Å; A332-I369 HydrophobicContact CB-CG2 3.84Å; M365-I369 PolarHBondContact O-N 3.26Å; A366-I369 WeakPolarHBondContact O-CA 3.41Å; A366-I369 WeakPolarHBondContact O-CB 3.42Å; A366-I369 PolarHBondContact O-N 2.73Å; D367-I369 VanDerWaalsContact C-N 3.25Å; D367-I369 PolarHBondContact O-N 2.66Å; I369-Q371 VanDerWaalsContact C-N 3.27Å; I369-Q371 PolarHBondContact O-N 2.82Å; I369-T372 PolarHBondContact O-N 2.83Å; I369-Q373 HydrophobicContact CG2-CG 3.9Å; I369-Q373 WeakPolarHBondContact O-CB 3.49Å; I369-Q373 WeakPolarHBondContact O-CG 2.9Å; I369-Q373 PolarHBondContact O-N 2.91Å |
| 370 | W | 92.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 19.3 Ų | 19.3 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.4 | -46.2 | 179.8 | -62.5 | 125.9 | 0 | 0 | 0 | 111.3 | L269 Y272 E276 F329 A332 A333 N336 A366 D367 T374 L424 M428 | L269-W370 HydrophobicContact CD1-CE3 3.83Å; L269-W370 HydrophobicContact CD1-CZ3 3.57Å; Y272-W370 HydrophobicContact CD1-CD2 4.36Å; Y272-W370 HydrophobicContact CD1-CZ2 4.44Å; Y272-W370 HydrophobicContact CE1-CD2 4.29Å; Y272-W370 AromaticContact CE1-CE2 3.7Å; Y272-W370 AromaticContact CE1-CZ2 3.93Å; Y272-W370 HydrophobicContact CE1-CZ2 3.93Å; Y272-W370 AromaticContact CE1-NE1 3.64Å; E276-W370 VanDerWaalsContact CD-CD1 3.42Å; E276-W370 PolarHBondContact OE2-NE1 2.53Å; F329-W370 HydrophobicContact CB-CZ3 4.12Å; F329-W370 HydrophobicContact CD1-CD2 4.42Å; F329-W370 AromaticContact CD1-CE3 3.32Å; F329-W370 HydrophobicContact CD1-CE3 3.32Å; F329-W370 HydrophobicContact CD1-CH2 4.3Å; F329-W370 AromaticContact CD1-CZ3 3.23Å; F329-W370 HydrophobicContact CD1-CZ3 3.23Å; F329-W370 AromaticContact CE1-CE3 3.58Å; F329-W370 HydrophobicContact CE1-CE3 3.58Å; F329-W370 AromaticContact CE1-CZ3 3.89Å; F329-W370 HydrophobicContact CE1-CZ3 3.89Å; F329-W370 HydrophobicContact CG-CE3 4.49Å; F329-W370 HydrophobicContact CG-CZ3 4.03Å; F329-W370 WeakPolarHBondContact O-CH2 3.42Å; A332-W370 HydrophobicContact CB-CD2 4.11Å; A332-W370 HydrophobicContact CB-CH2 4.13Å; A332-W370 HydrophobicContact CB-CZ2 3.55Å; A333-W370 HydrophobicContact CB-CH2 3.92Å; A333-W370 HydrophobicContact CB-CZ2 4.05Å; A333-W370 VanDerWaalsContact N-CZ2 3.33Å; N336-W370 PolarHBondContact ND2-NE1 3.14Å; A366-W370 PolarHBondContact O-N 3.48Å; D367-W370 PolarHBondContact O-N 2.84Å; W370-T374 WeakPolarHBondContact O-CB 3.4Å; W370-T374 PolarHBondContact O-N 3.36Å; W370-T374 PolarHBondContact O-OG1 3.08Å; W370-L424 HydrophobicContact CH2-CD1 4.21Å; W370-L424 HydrophobicContact CZ2-CD1 3.97Å; W370-M428 HydrophobicContact CH2-SD 4.02Å |
| 371 | Q | 85.8 | Confident | 88.4 | Confident | 32 Ų | 32 | 19.4 Ų | 19.4 | 15% | 0.15 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -71.1 | -54.6 | 179.9 | -65.3 | -67.2 | 56 | 0 | 0 | 112.6 | S273 D367 I369 Q373 N375 Y393 E397 | S273-Q371 PolarHBondContact OG-OE1 2.86Å; S273-Q371 VanDerWaalsContact OG-OE1 3.04Å; D367-Q371 WeakPolarHBondContact O-CB 3.38Å; D367-Q371 WeakPolarHBondContact O-CG 3.46Å; D367-Q371 PolarHBondContact O-N 3.26Å; I369-Q371 VanDerWaalsContact C-N 3.27Å; I369-Q371 PolarHBondContact O-N 2.82Å; Q371-Q373 PolarHBondContact O-N 3.13Å; Q371-N375 WeakPolarHBondContact O-CB 3.35Å; Q371-N375 PolarHBondContact O-N 2.93Å; Q371-N375 VanDerWaalsContact O-N 3.11Å; Q371-N375 PolarHBondContact O-ND2 3.47Å; Q371-Y393 PolarHBondContact OE1-OH 3.15Å; Q371-E397 PolarHBondContact NE2-OE1 3.34Å; Q371-E397 PolarHBondContact OE1-OE1 3.33Å |
| 372 | T | 82.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 18.4 Ų | 18.4 | 24% | 0.239 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.4 | -41.8 | -173.9 | 58.5 | 0 | 0 | 0 | 0 | 112.5 | A368 I369 A376 | A368-T372 VanDerWaalsContact O-CB 3.29Å; A368-T372 WeakPolarHBondContact O-CB 3.47Å; A368-T372 VanDerWaalsContact O-CG2 3.24Å; A368-T372 WeakPolarHBondContact O-CG2 3.31Å; A368-T372 PolarHBondContact O-N 3Å; A368-T372 PolarHBondContact O-OG1 3.42Å; I369-T372 PolarHBondContact O-N 2.83Å; T372-A376 WeakPolarHBondContact O-CB 3.35Å; T372-A376 PolarHBondContact O-N 2.03Å; T372-A376 VanDerWaalsContact O-N 3.11Å |
| 373 | Q | 86.2 | Confident | 86.6 | Confident | 9 Ų | 9 | 16.5 Ų | 16.5 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -77.3 | -36.4 | -176 | -61.1 | -49.3 | -54 | 0 | 0 | 112.4 | R325 L328 F329 I369 Q371 A376 L377 | R325-Q373 HydrophobicContact CG-CB 3.86Å; R325-Q373 HydrophobicContact CG-CG 4.23Å; L328-Q373 HydrophobicContact CB-CG 4.45Å; L328-Q373 HydrophobicContact CD1-CG 4.2Å; F329-Q373 HydrophobicContact CD1-CB 4.39Å; F329-Q373 HydrophobicContact CE1-CB 3.71Å; F329-Q373 HydrophobicContact CE2-CB 3.98Å; F329-Q373 HydrophobicContact CZ-CB 3.5Å; F329-Q373 VanDerWaalsContact CZ-CB 3.5Å; I369-Q373 HydrophobicContact CG2-CG 3.9Å; I369-Q373 WeakPolarHBondContact O-CB 3.49Å; I369-Q373 WeakPolarHBondContact O-CG 2.9Å; I369-Q373 PolarHBondContact O-N 2.91Å; Q371-Q373 PolarHBondContact O-N 3.13Å; Q373-A376 PolarHBondContact O-N 3.16Å; Q373-L377 WeakPolarHBondContact O-CB 3.46Å; Q373-L377 PolarHBondContact O-N 2.9Å |
| 374 | T | 87.9 | Confident | 85.3 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -68.3 | -42.9 | 176.2 | -55.2 | 0 | 0 | 0 | 0 | 110.8 | L269 T270 W370 A376 L377 Y378 Y393 | L269-T374 HydrophobicContact CD2-CG2 4.38Å; T270-T374 HydrophobicContact CG2-CG2 3.95Å; W370-T374 WeakPolarHBondContact O-CB 3.4Å; W370-T374 PolarHBondContact O-N 3.36Å; W370-T374 PolarHBondContact O-OG1 3.08Å; T374-A376 VanDerWaalsContact C-N 3.29Å; T374-A376 PolarHBondContact O-N 3.46Å; T374-L377 WeakPolarHBondContact O-CB 3.07Å; T374-L377 PolarHBondContact O-N 3.25Å; T374-Y378 HydrophobicContact CG2-CD2 3.87Å; T374-Y378 HydrophobicContact CG2-CE2 3.83Å; T374-Y378 WeakPolarHBondContact O-CD2 3.47Å; T374-Y378 PolarHBondContact O-N 3.22Å; T374-Y393 HydrophobicContact CG2-CD2 3.89Å; T374-Y393 HydrophobicContact CG2-CE2 3.77Å |
| 375 | N | 82.5 | Confident | 84.3 | Confident | 42 Ų | 42 | 27.4 Ų | 27.4 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -40.7 | 173.8 | -82.1 | -78.1 | 0 | 0 | 0 | 111.8 | Q371 G379 F390 Y393 | Q371-N375 WeakPolarHBondContact O-CB 3.35Å; Q371-N375 PolarHBondContact O-N 2.93Å; Q371-N375 VanDerWaalsContact O-N 3.11Å; Q371-N375 PolarHBondContact O-ND2 3.47Å; N375-G379 PolarHBondContact O-N 3.29Å; N375-F390 HydrophobicContact CB-CE1 4.38Å; N375-Y393 PolarHBondContact ND2-OH 3.41Å; N375-Y393 WeakPolarHBondContact OD1-CE1 3.31Å |
| 376 | A | 81.1 | Confident | 83.1 | Confident | 43 Ų | 43 | 31 Ų | 31 | 36% | 0.355 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T372 Q373 T374 G379 V380 | T372-A376 WeakPolarHBondContact O-CB 3.35Å; T372-A376 PolarHBondContact O-N 2.03Å; T372-A376 VanDerWaalsContact O-N 3.11Å; Q373-A376 PolarHBondContact O-N 3.16Å; T374-A376 VanDerWaalsContact C-N 3.29Å; T374-A376 PolarHBondContact O-N 3.46Å; A376-G379 PolarHBondContact O-N 3.2Å; A376-V380 WeakPolarHBondContact O-CG2 3.38Å; A376-V380 PolarHBondContact O-N 3.04Å; A376-V380 VanDerWaalsContact O-N 3.11Å |
| 377 | L | 84.9 | Confident | 81.8 | Confident | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 177.2 | 175.1 | 64.9 | 0 | 0 | 0 | 111.6 | L266 L269 Q373 T374 G379 V380 L381 Y431 | L266-L377 HydrophobicContact CD1-CD2 4.01Å; L266-L377 HydrophobicContact CD1-CG 4.29Å; L266-L377 HydrophobicContact CD2-CD2 3.65Å; L269-L377 HydrophobicContact CD2-CD2 4.36Å; Q373-L377 WeakPolarHBondContact O-CB 3.46Å; Q373-L377 PolarHBondContact O-N 2.9Å; T374-L377 WeakPolarHBondContact O-CB 3.07Å; T374-L377 PolarHBondContact O-N 3.25Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 2.91Å; L377-V380 PolarHBondContact O-N 3.39Å; L377-L381 HydrophobicContact CD1-CD1 3.59Å; L377-L381 HydrophobicContact CD1-CG 3.85Å; L377-L381 HydrophobicContact CG-CD1 3.85Å; L377-L381 HydrophobicContact CG-CG 4.41Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.24Å; L377-Y431 HydrophobicContact CD2-CD2 4.13Å; L377-Y431 HydrophobicContact CD2-CE2 3.93Å |
| 378 | Y | 84.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.1 | -39.3 | 176 | -89.3 | -107.2 | 0 | 0 | 0 | 112.3 | L263 L266 T270 T374 V380 F382 A389 Y393 | L263-Y378 HydrophobicContact CD1-CE1 3.48Å; L263-Y378 VanDerWaalsContact CD1-CE1 3.48Å; L263-Y378 WeakPolarHBondContact CD1-OH 3.49Å; L266-Y378 HydrophobicContact CB-CE2 4.37Å; L266-Y378 HydrophobicContact CD1-CE2 4.07Å; T270-Y378 HydrophobicContact CG2-CE2 3.54Å; T270-Y378 WeakPolarHBondContact CG2-OH 3.22Å; T374-Y378 HydrophobicContact CG2-CD2 3.87Å; T374-Y378 HydrophobicContact CG2-CE2 3.83Å; T374-Y378 WeakPolarHBondContact O-CD2 3.47Å; T374-Y378 PolarHBondContact O-N 3.22Å; Y378-V380 VanDerWaalsContact C-N 3.32Å; Y378-V380 PolarHBondContact O-N 2.89Å; Y378-F382 HydrophobicContact CD1-CD2 4.43Å; Y378-F382 PolarHBondContact O-N 2.93Å; Y378-A389 HydrophobicContact CD1-CB 4.06Å; Y378-A389 VanDerWaalsContact CD1-O 3.27Å; Y378-A389 WeakPolarHBondContact CD1-O 3.44Å; Y378-A389 WeakPolarHBondContact CE1-O 3.06Å; Y378-Y393 HydrophobicContact CD2-CD2 4.46Å; Y378-Y393 HydrophobicContact CE2-CD2 4.32Å |
| 379 | G | 74.7 | Confident | 80.4 | Confident | 20 Ų | 20 | 38.5 Ų | 38.5 | 21% | 0.206 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.4 | -29.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N375 A376 L377 | N375-G379 PolarHBondContact O-N 3.29Å; A376-G379 PolarHBondContact O-N 3.2Å; L377-G379 VanDerWaalsContact C-N 3.29Å; L377-G379 PolarHBondContact O-N 2.91Å |
| 380 | V | 81.5 | Confident | 79.7 | Confident | 79 Ų | 79 | 42.2 Ų | 42.2 | 48% | 0.479 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -85.1 | -43.2 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | A376 L377 Y378 F382 P383 | A376-V380 WeakPolarHBondContact O-CG2 3.38Å; A376-V380 PolarHBondContact O-N 3.04Å; A376-V380 VanDerWaalsContact O-N 3.11Å; L377-V380 PolarHBondContact O-N 3.39Å; Y378-V380 VanDerWaalsContact C-N 3.32Å; Y378-V380 PolarHBondContact O-N 2.89Å; V380-F382 PolarHBondContact O-N 3.5Å; V380-P383 WeakPolarHBondContact O-CD 3.39Å |
| 381 | L | 83.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.4 | -31.2 | -177.2 | -72.4 | 177.1 | 0 | 0 | 0 | 113.7 | L266 L377 P383 V434 E438 | L266-L381 HydrophobicContact CD1-CD1 3.48Å; L266-L381 VanDerWaalsContact CD1-CD1 3.48Å; L377-L381 HydrophobicContact CD1-CD1 3.59Å; L377-L381 HydrophobicContact CD1-CG 3.85Å; L377-L381 HydrophobicContact CG-CD1 3.85Å; L377-L381 HydrophobicContact CG-CG 4.41Å; L377-L381 WeakPolarHBondContact O-CG 3.38Å; L377-L381 PolarHBondContact O-N 3.24Å; L381-P383 WeakPolarHBondContact O-CD 3.46Å; L381-V434 HydrophobicContact CD1-CG1 3.95Å; L381-E438 HydrophobicContact CD2-CB 4.26Å; L381-E438 HydrophobicContact CD2-CG 3.88Å; L381-E438 VanDerWaalsContact CD2-OE2 3.25Å; L381-E438 WeakPolarHBondContact CD2-OE2 3.23Å |
| 382 | F | 83.3 | Confident | 79 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | trans | -124.2 | 59.3 | -173.2 | -55.4 | -70.2 | 0 | 0 | 0 | 112.5 | L257 D260 R262 L263 Y378 V380 R384 A385 K386 A389 | L257-F382 HydrophobicContact CD1-CD1 3.76Å; L257-F382 HydrophobicContact CD1-CE1 3.99Å; L257-F382 HydrophobicContact CD2-CD1 4.4Å; L257-F382 HydrophobicContact CD2-CG 4.44Å; L257-F382 HydrophobicContact CG-CD1 4.43Å; L257-F382 HydrophobicContact CG-CE1 4.43Å; D260-F382 HydrophobicContact CB-CE1 4.31Å; D260-F382 WeakPolarHBondContact OD2-CE1 3.37Å; R262-F382 HydrophobicContact CB-CZ 4.27Å; L263-F382 HydrophobicContact CB-CE2 4.46Å; L263-F382 HydrophobicContact CB-CZ 3.85Å; L263-F382 HydrophobicContact CD1-CE2 4.4Å; Y378-F382 HydrophobicContact CD1-CD2 4.43Å; Y378-F382 PolarHBondContact O-N 2.93Å; V380-F382 PolarHBondContact O-N 3.5Å; F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.28Å; F382-A385 CarbonylContact O-C 3.59Å; F382-A385 PolarHBondContact O-N 3.34Å; F382-K386 WeakPolarHBondContact O-CG 3.16Å; F382-K386 PolarHBondContact O-N 3.48Å; F382-A389 HydrophobicContact CB-CB 3.58Å; F382-A389 HydrophobicContact CD2-CB 3.76Å; F382-A389 HydrophobicContact CG-CB 3.9Å | ||
| 383 | P | 71.5 | Confident | 79.1 | Confident | 25 Ų | 25 | 40 Ų | 40 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -67.3 | -33.1 | -172.4 | 29 | -34.8 | 0 | 0 | 0 | 112.2 | V380 L381 K386 T443 I446 | V380-P383 WeakPolarHBondContact O-CD 3.39Å; L381-P383 WeakPolarHBondContact O-CD 3.46Å; P383-K386 WeakPolarHBondContact O-CE 3.41Å; P383-K386 WeakPolarHBondContact O-CG 3.2Å; P383-T443 HydrophobicContact CG-CG2 3.94Å; P383-I446 VanDerWaalsContact C-CD1 3.5Å; P383-I446 HydrophobicContact CB-CD1 3.75Å; P383-I446 HydrophobicContact CB-CG1 4.04Å; P383-I446 HydrophobicContact CG-CG1 4.47Å; P383-I446 VanDerWaalsContact O-CD1 3.25Å; P383-I446 WeakPolarHBondContact O-CD1 3.28Å |
| 384 | R | 69.6 | Low | 78.9 | Confident | 197 Ų | 197 | 42.8 Ų | 42.8 | 74% | 0.743 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -80 | -17.8 | 180 | -63.6 | -176.3 | -174 | 170.7 | 1.6 | 113.9 | F382 E444 I446 | F382-R384 VanDerWaalsContact C-N 3.31Å; F382-R384 PolarHBondContact O-N 3.28Å; R384-E444 IonicContact NH2-OE2 3.06Å; R384-I446 HydrophobicContact CG-CD1 4.32Å; R384-I446 HydrophobicContact CG-CG1 4.19Å |
| 385 | A | 72.4 | Confident | 78.9 | Confident | 37 Ų | 37 | 43.8 Ų | 43.8 | 31% | 0.306 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -133.4 | 40.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L257 F382 E387 A388 A389 | L257-A385 HydrophobicContact CD1-CB 4.39Å; F382-A385 CarbonylContact O-C 3.59Å; F382-A385 PolarHBondContact O-N 3.34Å; A385-E387 VanDerWaalsContact C-N 3.31Å; A385-E387 PolarHBondContact O-N 3.48Å; A385-A388 PolarHBondContact O-N 2.8Å; A385-A389 WeakPolarHBondContact O-CB 3.06Å; A385-A389 PolarHBondContact O-N 3Å |
| 386 | K | 69.1 | Low | 79.3 | Confident | 104 Ų | 104 | 44 Ų | 44 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -54.5 | -43.5 | -174.2 | -69.7 | 178.5 | -177.1 | -179.8 | 0 | 113 | F382 P383 A388 A389 F390 | F382-K386 WeakPolarHBondContact O-CG 3.16Å; F382-K386 PolarHBondContact O-N 3.48Å; P383-K386 WeakPolarHBondContact O-CE 3.41Å; P383-K386 WeakPolarHBondContact O-CG 3.2Å; K386-A388 PolarHBondContact O-N 3.41Å; K386-A389 PolarHBondContact O-N 2.87Å; K386-F390 HydrophobicContact CB-CD2 4.36Å; K386-F390 HydrophobicContact CB-CE2 4.36Å; K386-F390 WeakPolarHBondContact O-CD2 3.48Å; K386-F390 PolarHBondContact O-N 2.75Å |
| 387 | E | 68.3 | Low | 79.8 | Confident | 154 Ų | 154 | 42.2 Ų | 42.2 | 72% | 0.72 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -60.4 | -47.2 | -179.7 | -63.7 | -176.7 | 176.1 | 0 | 0 | 112 | A385 A389 A391 | A385-E387 VanDerWaalsContact C-N 3.31Å; A385-E387 PolarHBondContact O-N 3.48Å; E387-A389 VanDerWaalsContact C-N 3.35Å; E387-A389 PolarHBondContact O-N 3.26Å; E387-A391 WeakPolarHBondContact O-CB 3.47Å; E387-A391 PolarHBondContact O-N 3.02Å |
| 388 | A | 74.4 | Confident | 80 | Confident | 10 Ų | 10 | 42.2 Ų | 42.2 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.1 | -35.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 A385 K386 N392 | L257-A388 HydrophobicContact CD2-CB 4.1Å; A385-A388 PolarHBondContact O-N 2.8Å; K386-A388 PolarHBondContact O-N 3.41Å; A388-N392 PolarHBondContact O-N 3.17Å; A388-N392 PolarHBondContact O-ND2 3.25Å |
| 389 | A | 80.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.3 | -48.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L257 Y378 F382 A385 K386 E387 A391 N392 Y393 | L257-A389 HydrophobicContact CD2-CB 3.91Å; Y378-A389 HydrophobicContact CD1-CB 4.06Å; Y378-A389 VanDerWaalsContact CD1-O 3.27Å; Y378-A389 WeakPolarHBondContact CD1-O 3.44Å; Y378-A389 WeakPolarHBondContact CE1-O 3.06Å; F382-A389 HydrophobicContact CB-CB 3.58Å; F382-A389 HydrophobicContact CD2-CB 3.76Å; F382-A389 HydrophobicContact CG-CB 3.9Å; A385-A389 WeakPolarHBondContact O-CB 3.06Å; A385-A389 PolarHBondContact O-N 3Å; K386-A389 PolarHBondContact O-N 2.87Å; E387-A389 VanDerWaalsContact C-N 3.35Å; E387-A389 PolarHBondContact O-N 3.26Å; A389-A391 VanDerWaalsContact C-N 3.33Å; A389-A391 PolarHBondContact O-N 2.97Å; A389-N392 PolarHBondContact O-N 3.22Å; A389-Y393 PolarHBondContact O-N 3.09Å |
| 390 | F | 77.4 | Confident | 81.4 | Confident | 77 Ų | 77 | 43.8 Ų | 43.8 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.3 | -32.7 | 176.9 | -76.3 | -65 | 0 | 0 | 0 | 112.8 | N375 K386 Y393 R394 | N375-F390 HydrophobicContact CB-CE1 4.38Å; K386-F390 HydrophobicContact CB-CD2 4.36Å; K386-F390 HydrophobicContact CB-CE2 4.36Å; K386-F390 WeakPolarHBondContact O-CD2 3.48Å; K386-F390 PolarHBondContact O-N 2.75Å; F390-Y393 PolarHBondContact O-N 2.89Å; F390-R394 PolarHBondContact O-N 3.41Å; F390-R394 VanDerWaalsContact O-N 3.07Å |
| 391 | A | 78 | Confident | 81.9 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 21% | 0.207 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T254 E387 A389 R394 M395 | T254-A391 HydrophobicContact CG2-CB 4.37Å; E387-A391 WeakPolarHBondContact O-CB 3.47Å; E387-A391 PolarHBondContact O-N 3.02Å; A389-A391 VanDerWaalsContact C-N 3.33Å; A389-A391 PolarHBondContact O-N 2.97Å; A391-R394 PolarHBondContact O-N 3.34Å; A391-M395 WeakPolarHBondContact O-CB 3.48Å; A391-M395 PolarHBondContact O-N 3.32Å |
| 392 | N | 84.6 | Confident | 82.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.1 | -45 | 175 | -87.8 | -78.7 | 0 | 0 | 0 | 112 | T254 L258 L263 A388 A389 R394 M395 W396 | T254-N392 WeakPolarHBondContact CG2-ND2 3.16Å; T254-N392 PolarHBondContact O-ND2 2.93Å; L258-N392 VanDerWaalsContact CD2-OD1 3.25Å; L258-N392 WeakPolarHBondContact CD2-OD1 3.38Å; L263-N392 HydrophobicContact CD1-CB 4.14Å; L263-N392 HydrophobicContact CD2-CB 3.96Å; A388-N392 PolarHBondContact O-N 3.17Å; A388-N392 PolarHBondContact O-ND2 3.25Å; A389-N392 PolarHBondContact O-N 3.22Å; N392-R394 PolarHBondContact O-N 3.49Å; N392-M395 WeakPolarHBondContact O-CB 3.31Å; N392-M395 PolarHBondContact O-N 3.38Å; N392-W396 PolarHBondContact O-N 2.79Å |
| 393 | Y | 84.2 | Confident | 82.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.6 | -50.8 | 175.8 | 163.1 | -99.1 | 0 | 0 | 0 | 111.8 | T270 Q371 T374 N375 Y378 A389 F390 M395 W396 E397 | T270-Y393 HydrophobicContact CG2-CD2 3.74Å; T270-Y393 HydrophobicContact CG2-CE2 4.41Å; Q371-Y393 PolarHBondContact OE1-OH 3.15Å; T374-Y393 HydrophobicContact CG2-CD2 3.89Å; T374-Y393 HydrophobicContact CG2-CE2 3.77Å; N375-Y393 PolarHBondContact ND2-OH 3.41Å; N375-Y393 WeakPolarHBondContact OD1-CE1 3.31Å; Y378-Y393 HydrophobicContact CD2-CD2 4.46Å; Y378-Y393 HydrophobicContact CE2-CD2 4.32Å; A389-Y393 PolarHBondContact O-N 3.09Å; F390-Y393 PolarHBondContact O-N 2.89Å; Y393-M395 VanDerWaalsContact C-N 3.34Å; Y393-M395 PolarHBondContact O-N 3.46Å; Y393-W396 PolarHBondContact O-N 3.28Å; Y393-E397 VanDerWaalsContact O-CB 3.27Å; Y393-E397 WeakPolarHBondContact O-CB 3.11Å; Y393-E397 PolarHBondContact O-N 2.94Å |
| 394 | R | 82.8 | Confident | 83.7 | Confident | 69 Ų | 69 | 43 Ų | 43 | 26% | 0.26 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.2 | -35.9 | 178.4 | -72.2 | -56.2 | -169.5 | -178.3 | -0 | 113.3 | F390 A391 N392 E397 S398 | F390-R394 PolarHBondContact O-N 3.41Å; F390-R394 VanDerWaalsContact O-N 3.07Å; A391-R394 PolarHBondContact O-N 3.34Å; N392-R394 PolarHBondContact O-N 3.49Å; R394-E397 VanDerWaalsContact CD-OE2 3.25Å; R394-E397 WeakPolarHBondContact CD-OE2 3.19Å; R394-E397 IonicContact CZ-OE2 3.86Å; R394-E397 IonicContact NE-OE2 2.82Å; R394-E397 IonicContact NH1-OE1 2.69Å; R394-E397 PolarHBondContact NH1-OE1 3.2Å; R394-E397 IonicContact NH1-OE2 2.73Å; R394-E397 PolarHBondContact NH1-OE2 2.64Å; R394-S398 VanDerWaalsContact O-CB 3.24Å; R394-S398 WeakPolarHBondContact O-CB 3.4Å; R394-S398 PolarHBondContact O-N 3.09Å; R394-S398 PolarHBondContact O-OG 2.94Å |
| 395 | M | 87.2 | Confident | 84.6 | Confident | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -50.2 | 177.6 | -175 | -176.8 | 74.5 | 0 | 0 | 111.2 | I52 A391 N392 Y393 S398 L399 | I52-M395 HydrophobicContact CG2-CG 4.15Å; A391-M395 WeakPolarHBondContact O-CB 3.48Å; A391-M395 PolarHBondContact O-N 3.32Å; N392-M395 WeakPolarHBondContact O-CB 3.31Å; N392-M395 PolarHBondContact O-N 3.38Å; Y393-M395 VanDerWaalsContact C-N 3.34Å; Y393-M395 PolarHBondContact O-N 3.46Å; M395-S398 PolarHBondContact O-N 3.34Å; M395-L399 PolarHBondContact O-N 3.32Å |
| 396 | W | 91.1 | Very high | 85.3 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.1 | -36.8 | -178.3 | -65.7 | 117.4 | 0 | 0 | 0 | 112.7 | L258 I267 T270 M271 N392 Y393 L399 G400 | L258-W396 HydrophobicContact CD2-CZ2 3.71Å; I267-W396 HydrophobicContact CB-CD2 4.43Å; I267-W396 HydrophobicContact CD1-CD2 4.07Å; I267-W396 HydrophobicContact CD1-CE3 4.46Å; I267-W396 HydrophobicContact CD1-CH2 3.96Å; I267-W396 HydrophobicContact CD1-CZ2 3.49Å; I267-W396 VanDerWaalsContact CD1-CZ2 3.49Å; I267-W396 HydrophobicContact CD1-CZ3 4.41Å; I267-W396 HydrophobicContact CG1-CD2 3.92Å; I267-W396 HydrophobicContact CG1-CG 4.1Å; I267-W396 HydrophobicContact CG1-CZ2 4.23Å; I267-W396 HydrophobicContact CG2-CD2 3.74Å; I267-W396 HydrophobicContact CG2-CE3 3.59Å; I267-W396 HydrophobicContact CG2-CG 4.16Å; I267-W396 HydrophobicContact CG2-CZ3 4.07Å; T270-W396 WeakPolarHBondContact OG1-CB 3.15Å; M271-W396 HydrophobicContact CG-CB 4.31Å; M271-W396 WeakPolarHBondContact CG-O 3.3Å; M271-W396 HydrophobicContact SD-CE3 4.27Å; N392-W396 PolarHBondContact O-N 2.79Å; Y393-W396 PolarHBondContact O-N 3.28Å; W396-L399 HydrophobicContact CE3-CD2 3.63Å; W396-L399 HydrophobicContact CZ3-CD2 3.55Å; W396-L399 WeakPolarHBondContact O-CB 3.27Å; W396-L399 PolarHBondContact O-N 3.25Å; W396-G400 PolarHBondContact O-N 2.94Å; W396-G400 VanDerWaalsContact O-N 3.13Å |
| 397 | E | 91.7 | Very high | 86.1 | Confident | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 170.2 | -176.1 | -170.7 | -148.6 | 0 | 0 | 110.8 | T270 Q371 Y393 R394 L399 G400 F401 | T270-E397 WeakPolarHBondContact O-CA 3.24Å; Q371-E397 PolarHBondContact NE2-OE1 3.34Å; Q371-E397 PolarHBondContact OE1-OE1 3.33Å; Y393-E397 VanDerWaalsContact O-CB 3.27Å; Y393-E397 WeakPolarHBondContact O-CB 3.11Å; Y393-E397 PolarHBondContact O-N 2.94Å; R394-E397 VanDerWaalsContact CD-OE2 3.25Å; R394-E397 WeakPolarHBondContact CD-OE2 3.19Å; R394-E397 IonicContact CZ-OE2 3.86Å; R394-E397 IonicContact NE-OE2 2.82Å; R394-E397 IonicContact NH1-OE1 2.69Å; R394-E397 PolarHBondContact NH1-OE1 3.2Å; R394-E397 IonicContact NH1-OE2 2.73Å; R394-E397 PolarHBondContact NH1-OE2 2.64Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 3.45Å; E397-G400 PolarHBondContact O-N 3.34Å; E397-G400 VanDerWaalsContact O-N 3.1Å; E397-F401 HydrophobicContact CG-CD2 4.48Å; E397-F401 HydrophobicContact CG-CE2 4.11Å; E397-F401 WeakPolarHBondContact O-CD2 3.39Å; E397-F401 PolarHBondContact O-N 3.07Å |
| 398 | S | 90.8 | Very high | 86.8 | Confident | 4 Ų | 4 | 24 Ų | 24 | 3% | 0.028 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 177.5 | -59.3 | 0 | 0 | 0 | 0 | 112.4 | I51 R394 M395 G400 F401 V402 | I51-S398 WeakPolarHBondContact CG2-OG 3.3Å; R394-S398 VanDerWaalsContact O-CB 3.24Å; R394-S398 WeakPolarHBondContact O-CB 3.4Å; R394-S398 PolarHBondContact O-N 3.09Å; R394-S398 PolarHBondContact O-OG 2.94Å; M395-S398 PolarHBondContact O-N 3.34Å; S398-G400 VanDerWaalsContact C-N 3.33Å; S398-G400 PolarHBondContact O-N 3.09Å; S398-F401 WeakPolarHBondContact O-CB 3.46Å; S398-F401 PolarHBondContact O-N 3.27Å; S398-V402 WeakPolarHBondContact O-CG2 3.44Å; S398-V402 PolarHBondContact O-N 3.36Å |
| 399 | L | 93 | Very high | 87 | Confident | 52 Ų | 52 | 26.4 Ų | 26.4 | 27% | 0.272 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -63.8 | -39.3 | 174.5 | -175 | 64.3 | 0 | 0 | 0 | 111.8 | I52 M271 M395 W396 E397 F401 V402 I403 | I52-L399 HydrophobicContact CD1-CB 4.19Å; I52-L399 HydrophobicContact CD1-CD1 4.22Å; M271-L399 HydrophobicContact CE-CD2 4.17Å; M271-L399 HydrophobicContact CE-CG 4.33Å; M271-L399 HydrophobicContact SD-CD2 4.31Å; M395-L399 PolarHBondContact O-N 3.32Å; W396-L399 HydrophobicContact CE3-CD2 3.63Å; W396-L399 HydrophobicContact CZ3-CD2 3.55Å; W396-L399 WeakPolarHBondContact O-CB 3.27Å; W396-L399 PolarHBondContact O-N 3.25Å; E397-L399 VanDerWaalsContact C-N 3.29Å; E397-L399 PolarHBondContact O-N 3.45Å; L399-F401 VanDerWaalsContact C-N 3.34Å; L399-F401 PolarHBondContact O-N 3.45Å; L399-V402 PolarHBondContact O-N 3.15Å; L399-I403 HydrophobicContact CD1-CD1 4.24Å; L399-I403 HydrophobicContact CD1-CG1 4.35Å; L399-I403 HydrophobicContact CG-CD1 3.92Å; L399-I403 HydrophobicContact CG-CG1 4.44Å; L399-I403 WeakPolarHBondContact O-CG1 3.38Å; L399-I403 PolarHBondContact O-N 3.18Å |
| 400 | G | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.7 | -46.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W396 E397 S398 A404 | W396-G400 PolarHBondContact O-N 2.94Å; W396-G400 VanDerWaalsContact O-N 3.13Å; E397-G400 PolarHBondContact O-N 3.34Å; E397-G400 VanDerWaalsContact O-N 3.1Å; S398-G400 VanDerWaalsContact C-N 3.33Å; S398-G400 PolarHBondContact O-N 3.09Å; G400-A404 WeakPolarHBondContact O-CB 3.46Å; G400-A404 PolarHBondContact O-N 3.33Å; G400-A404 VanDerWaalsContact O-N 3.07Å |
| 401 | F | 91.8 | Very high | 87.5 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 174.1 | -79.2 | -78.4 | 0 | 0 | 0 | 112.9 | Y48 Q277 E397 S398 L399 I403 A404 F405 | Y48-F401 HydrophobicContact CD1-CB 3.92Å; Y48-F401 AromaticContact CD1-CD2 3.8Å; Y48-F401 HydrophobicContact CD1-CD2 3.8Å; Y48-F401 HydrophobicContact CD1-CE2 4.43Å; Y48-F401 AromaticContact CD1-CG 3.88Å; Y48-F401 HydrophobicContact CD1-CG 3.88Å; Y48-F401 HydrophobicContact CD2-CB 3.66Å; Y48-F401 HydrophobicContact CD2-CD1 4.1Å; Y48-F401 AromaticContact CD2-CG 3.93Å; Y48-F401 HydrophobicContact CD2-CG 3.93Å; Y48-F401 HydrophobicContact CE1-CB 4.34Å; Y48-F401 HydrophobicContact CE1-CD1 4.18Å; Y48-F401 AromaticContact CE1-CD2 3.62Å; Y48-F401 HydrophobicContact CE1-CD2 3.62Å; Y48-F401 HydrophobicContact CE1-CE1 4.36Å; Y48-F401 AromaticContact CE1-CE2 3.82Å; Y48-F401 HydrophobicContact CE1-CE2 3.82Å; Y48-F401 AromaticContact CE1-CG 3.81Å; Y48-F401 HydrophobicContact CE1-CG 3.81Å; Y48-F401 HydrophobicContact CE1-CZ 4.17Å; Y48-F401 HydrophobicContact CE2-CB 4.15Å; Y48-F401 AromaticContact CE2-CD1 3.7Å; Y48-F401 HydrophobicContact CE2-CD1 3.7Å; Y48-F401 HydrophobicContact CE2-CE1 4.16Å; Y48-F401 AromaticContact CE2-CG 3.91Å; Y48-F401 HydrophobicContact CE2-CG 3.91Å; Y48-F401 HydrophobicContact CG-CB 3.55Å; Y48-F401 HydrophobicContact CG-CD2 4.32Å; Y48-F401 AromaticContact CG-CG 3.93Å; Y48-F401 HydrophobicContact CG-CG 3.93Å; Y48-F401 AromaticContact CZ-CD1 3.72Å; Y48-F401 AromaticContact CZ-CE1 3.81Å; Y48-F401 AromaticContact CZ-CG 3.82Å; Y48-F401 AromaticContact CZ-CZ 3.98Å; Q277-F401 HydrophobicContact CB-CE1 3.65Å; Q277-F401 HydrophobicContact CB-CZ 3.48Å; Q277-F401 VanDerWaalsContact CB-CZ 3.48Å; Q277-F401 HydrophobicContact CG-CZ 4.34Å; Q277-F401 VanDerWaalsContact OE1-CZ 3.28Å; E397-F401 HydrophobicContact CG-CD2 4.48Å; E397-F401 HydrophobicContact CG-CE2 4.11Å; E397-F401 WeakPolarHBondContact O-CD2 3.39Å; E397-F401 PolarHBondContact O-N 3.07Å; S398-F401 WeakPolarHBondContact O-CB 3.46Å; S398-F401 PolarHBondContact O-N 3.27Å; L399-F401 VanDerWaalsContact C-N 3.34Å; L399-F401 PolarHBondContact O-N 3.45Å; F401-I403 PolarHBondContact O-N 2.95Å; F401-A404 PolarHBondContact O-N 3.23Å; F401-F405 HydrophobicContact CB-CD2 4.35Å; F401-F405 HydrophobicContact CB-CE2 4.2Å; F401-F405 AromaticContact CD1-CE2 3.67Å; F401-F405 HydrophobicContact CD1-CE2 3.67Å; F401-F405 HydrophobicContact CD1-CZ 4.11Å; F401-F405 HydrophobicContact CG-CE2 4.42Å; F401-F405 WeakPolarHBondContact O-CD2 3.42Å; F401-F405 WeakPolarHBondContact O-CG 3.4Å; F401-F405 PolarHBondContact O-N 3.36Å |
| 402 | V | 92.9 | Very high | 88 | Confident | 27 Ų | 27 | 33.6 Ų | 33.6 | 16% | 0.164 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | -177.9 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | A49 I52 S398 L399 A404 F405 A406 | A49-V402 HydrophobicContact CB-CG2 3.98Å; A49-V402 VanDerWaalsContact N-CG2 3.29Å; I52-V402 HydrophobicContact CD1-CG2 4.01Å; S398-V402 WeakPolarHBondContact O-CG2 3.44Å; S398-V402 PolarHBondContact O-N 3.36Å; L399-V402 PolarHBondContact O-N 3.15Å; V402-A404 VanDerWaalsContact C-N 3.34Å; V402-A404 PolarHBondContact O-N 2.95Å; V402-F405 PolarHBondContact O-N 2.84Å; V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.38Å |
| 403 | I | 93.1 | Very high | 88.3 | Confident | 63 Ų | 63 | 33.6 Ų | 33.6 | 32% | 0.323 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -46.9 | -179.9 | -65.7 | 167.5 | 0 | 0 | 0 | 109.9 | M271 F275 L399 F401 F405 A406 Y407 | M271-I403 HydrophobicContact CE-CD1 3.6Å; F275-I403 HydrophobicContact CE1-CB 4.32Å; F275-I403 HydrophobicContact CE1-CG2 3.95Å; F275-I403 HydrophobicContact CZ-CB 3.87Å; F275-I403 HydrophobicContact CZ-CD1 4.39Å; F275-I403 HydrophobicContact CZ-CG2 3.62Å; L399-I403 HydrophobicContact CD1-CD1 4.24Å; L399-I403 HydrophobicContact CD1-CG1 4.35Å; L399-I403 HydrophobicContact CG-CD1 3.92Å; L399-I403 HydrophobicContact CG-CG1 4.44Å; L399-I403 WeakPolarHBondContact O-CG1 3.38Å; L399-I403 PolarHBondContact O-N 3.18Å; F401-I403 PolarHBondContact O-N 2.95Å; I403-F405 PolarHBondContact O-N 3.27Å; I403-A406 PolarHBondContact O-N 2.97Å; I403-Y407 HydrophobicContact CG2-CD1 4.02Å; I403-Y407 HydrophobicContact CG2-CE1 3.87Å; I403-Y407 WeakPolarHBondContact O-CD1 3.43Å; I403-Y407 WeakPolarHBondContact O-CE1 3.38Å; I403-Y407 PolarHBondContact O-N 2.9Å |
| 404 | A | 91.6 | Very high | 88.7 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 4% | 0.041 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F275 S278 G400 F401 V402 Y407 S408 | F275-A404 HydrophobicContact CD1-CB 3.89Å; F275-A404 HydrophobicContact CE1-CB 4.14Å; S278-A404 WeakPolarHBondContact OG-CB 3.47Å; G400-A404 WeakPolarHBondContact O-CB 3.46Å; G400-A404 PolarHBondContact O-N 3.33Å; G400-A404 VanDerWaalsContact O-N 3.07Å; F401-A404 PolarHBondContact O-N 3.23Å; V402-A404 VanDerWaalsContact C-N 3.34Å; V402-A404 PolarHBondContact O-N 2.95Å; A404-Y407 VanDerWaalsContact CA-CZ 3.49Å; A404-Y407 WeakPolarHBondContact O-CD2 3.43Å; A404-Y407 WeakPolarHBondContact O-CE2 3.46Å; A404-S408 PolarHBondContact O-N 3.46Å |
| 405 | F | 87.1 | Confident | 89.1 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 2% | 0.022 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.5 | -30.5 | 176 | -66.6 | -46.4 | 0 | 0 | 0 | 112.8 | V41 L44 Y48 F401 V402 I403 S408 | V41-F405 HydrophobicContact CB-CD1 4.35Å; V41-F405 HydrophobicContact CG1-CD1 4.44Å; L44-F405 HydrophobicContact CB-CD2 3.85Å; L44-F405 HydrophobicContact CB-CE1 4.49Å; L44-F405 HydrophobicContact CB-CE2 3.71Å; L44-F405 HydrophobicContact CB-CG 4.32Å; L44-F405 HydrophobicContact CB-CZ 4.06Å; L44-F405 HydrophobicContact CD1-CE1 4Å; L44-F405 HydrophobicContact CD1-CE2 4.31Å; L44-F405 HydrophobicContact CD1-CZ 3.8Å; Y48-F405 HydrophobicContact CD2-CD2 4.21Å; Y48-F405 AromaticContact CD2-CE2 3.82Å; Y48-F405 HydrophobicContact CD2-CE2 3.82Å; Y48-F405 AromaticContact CE2-CE2 3.76Å; Y48-F405 HydrophobicContact CE2-CE2 3.76Å; F401-F405 HydrophobicContact CB-CD2 4.35Å; F401-F405 HydrophobicContact CB-CE2 4.2Å; F401-F405 AromaticContact CD1-CE2 3.67Å; F401-F405 HydrophobicContact CD1-CE2 3.67Å; F401-F405 HydrophobicContact CD1-CZ 4.11Å; F401-F405 HydrophobicContact CG-CE2 4.42Å; F401-F405 WeakPolarHBondContact O-CD2 3.42Å; F401-F405 WeakPolarHBondContact O-CG 3.4Å; F401-F405 PolarHBondContact O-N 3.36Å; V402-F405 PolarHBondContact O-N 2.84Å; I403-F405 PolarHBondContact O-N 3.27Å; F405-S408 WeakPolarHBondContact O-CB 3.25Å; F405-S408 PolarHBondContact O-N 3.47Å |
| 406 | A | 86.7 | Confident | 89.4 | Confident | 49 Ų | 49 | 38.8 Ų | 38.8 | 41% | 0.405 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V402 I403 S408 F410 | V402-A406 WeakPolarHBondContact O-CB 3.44Å; V402-A406 PolarHBondContact O-N 3.38Å; I403-A406 PolarHBondContact O-N 2.97Å; A406-S408 VanDerWaalsContact C-N 3.34Å; A406-F410 VanDerWaalsContact O-CD2 3.24Å; A406-F410 WeakPolarHBondContact O-CD2 3.28Å; A406-F410 VanDerWaalsContact O-CE2 3.29Å; A406-F410 WeakPolarHBondContact O-CE2 3.46Å |
| 407 | Y | 86.8 | Confident | 89.5 | Confident | 31 Ų | 31 | 36.5 Ų | 36.5 | 12% | 0.122 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -85.4 | -5.5 | 176.6 | 64.8 | -124.2 | 0 | 0 | 0 | 114 | F275 I403 A404 T409 F410 L411 K416 I419 | F275-Y407 WeakPolarHBondContact CD1-OH 3.45Å; F275-Y407 AromaticContact CE1-CE1 3.88Å; F275-Y407 HydrophobicContact CE1-CE1 3.88Å; F275-Y407 WeakPolarHBondContact CE1-OH 3.26Å; I403-Y407 HydrophobicContact CG2-CD1 4.02Å; I403-Y407 HydrophobicContact CG2-CE1 3.87Å; I403-Y407 WeakPolarHBondContact O-CD1 3.43Å; I403-Y407 WeakPolarHBondContact O-CE1 3.38Å; I403-Y407 PolarHBondContact O-N 2.9Å; A404-Y407 VanDerWaalsContact CA-CZ 3.49Å; A404-Y407 WeakPolarHBondContact O-CD2 3.43Å; A404-Y407 WeakPolarHBondContact O-CE2 3.46Å; Y407-T409 PolarHBondContact O-N 2.91Å; Y407-F410 PolarHBondContact O-N 2.02Å; Y407-L411 HydrophobicContact CD1-CD1 4.45Å; Y407-L411 HydrophobicContact CD2-CD1 3.98Å; Y407-L411 HydrophobicContact CG-CD1 3.85Å; Y407-L411 PolarHBondContact O-N 2.97Å; Y407-K416 HydrophobicContact CD2-CD 4.34Å; Y407-K416 HydrophobicContact CD2-CG 3.97Å; Y407-K416 HydrophobicContact CE2-CB 4.12Å; Y407-K416 HydrophobicContact CE2-CD 4.13Å; Y407-K416 HydrophobicContact CE2-CG 3.66Å; Y407-I419 HydrophobicContact CD1-CD1 4.34Å; Y407-I419 HydrophobicContact CE1-CD1 3.98Å; Y407-I419 HydrophobicContact CE1-CG2 4.07Å |
| 408 | S | 83.5 | Confident | 89.7 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -37.8 | -173.7 | 177.3 | 0 | 0 | 0 | 0 | 112.8 | E283 A404 F405 A406 K416 | E283-S408 WeakPolarHBondContact OE1-CA 3.34Å; E283-S408 WeakPolarHBondContact OE1-CB 3.41Å; E283-S408 PolarHBondContact OE1-OG 2.86Å; A404-S408 PolarHBondContact O-N 3.46Å; F405-S408 WeakPolarHBondContact O-CB 3.25Å; F405-S408 PolarHBondContact O-N 3.47Å; A406-S408 VanDerWaalsContact C-N 3.34Å; S408-K416 WeakPolarHBondContact O-CE 3.2Å; S408-K416 PolarHBondContact O-NZ 3.28Å |
| 409 | T | 78.4 | Confident | 89.9 | Confident | 60 Ų | 60 | 43.5 Ų | 43.5 | 37% | 0.368 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -15 | -178.9 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | V41 Y407 | V41-T409 HydrophobicContact CG2-CG2 3.8Å; Y407-T409 PolarHBondContact O-N 2.91Å |
| 410 | F | 81.8 | Confident | 90.1 | Very high | 170 Ų | 170 | 41 Ų | 41 | 75% | 0.746 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | -29 | -170.8 | -57 | -73 | 0 | 0 | 0 | 113.6 | A406 Y407 | A406-F410 VanDerWaalsContact O-CD2 3.24Å; A406-F410 WeakPolarHBondContact O-CD2 3.28Å; A406-F410 VanDerWaalsContact O-CE2 3.29Å; A406-F410 WeakPolarHBondContact O-CE2 3.46Å; Y407-F410 PolarHBondContact O-N 2.02Å |
| 411 | L | 86.7 | Confident | 90.1 | Very high | 57 Ų | 57 | 42.8 Ų | 42.8 | 30% | 0.298 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -102.7 | 152.1 | -178.3 | -61.4 | -178.6 | 0 | 0 | 0 | 111.6 | Y407 K416 I419 | Y407-L411 HydrophobicContact CD1-CD1 4.45Å; Y407-L411 HydrophobicContact CD2-CD1 3.98Å; Y407-L411 HydrophobicContact CG-CD1 3.85Å; Y407-L411 PolarHBondContact O-N 2.97Å; L411-K416 HydrophobicContact CB-CG 4.17Å; L411-K416 WeakPolarHBondContact O-CE 3.36Å; L411-K416 PolarHBondContact O-NZ 3.26Å; L411-I419 HydrophobicContact CD1-CD1 3.6Å |
| 412 | C | 88.5 | Confident | 90.4 | Very high | 26 Ų | 26 | 45 Ų | 45 | 18% | 0.176 | 23% | 0.23 | C | C | . | . | trans | -76.2 | 154.6 | 168.2 | -49.2 | 0 | 0 | 0 | 0 | 111.1 | C183 E414 Y415 K416 | C183-C412 HydrophobicContact CB-CB 3.95Å; C183-C412 WeakPolarHBondContact CB-SG 3.41Å; C183-C412 WeakPolarHBondContact SG-CB 3.32Å; C183-C412 CovalentContact SG-SG 2.02Å; C183-C412 PolarHBondContact SG-SG 3.22Å; C412-E414 PolarHBondContact O-N 3.04Å; C412-Y415 HydrophobicContact CB-CD2 3.95Å; C412-Y415 HydrophobicContact CB-CE2 4.4Å; C412-Y415 PolarHBondContact O-N 2.69Å; C412-Y415 VanDerWaalsContact O-N 3.11Å; C412-K416 WeakPolarHBondContact O-CG 3.44Å; C412-K416 PolarHBondContact O-N 2.7Å | ||
| 413 | V | 90.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.1 | -37.3 | -176.3 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | G182 F279 N287 Y288 Y415 K416 L417 | G182-V413 VanDerWaalsContact O-CG2 3.29Å; G182-V413 WeakPolarHBondContact O-CG2 3.21Å; G182-V413 PolarHBondContact O-N 3.06Å; F279-V413 HydrophobicContact CE2-CG1 4.47Å; N287-V413 HydrophobicContact CB-CG2 3.8Å; N287-V413 VanDerWaalsContact CG-CG2 3.48Å; N287-V413 WeakPolarHBondContact ND2-CG2 3.07Å; Y288-V413 HydrophobicContact CE2-CG1 3.82Å; V413-Y415 PolarHBondContact O-N 3.08Å; V413-K416 WeakPolarHBondContact O-CB 2.99Å; V413-K416 PolarHBondContact O-N 3.48Å; V413-K416 VanDerWaalsContact O-N 3.13Å; V413-L417 HydrophobicContact CG1-CD1 4.17Å; V413-L417 HydrophobicContact CG1-CG 4.49Å; V413-L417 PolarHBondContact O-N 3.23Å |
| 414 | E | 91.8 | Very high | 90.7 | Very high | 63 Ų | 63 | 42 Ų | 42 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -54 | -51 | 174.7 | -165.5 | -169.3 | 165 | 0 | 0 | 112.3 | A180 L344 C412 K416 L417 Y418 | A180-E414 WeakPolarHBondContact O-CB 3.29Å; A180-E414 PolarHBondContact O-N 3.47Å; L344-E414 HydrophobicContact CD2-CG 3.8Å; C412-E414 PolarHBondContact O-N 3.04Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 PolarHBondContact O-N 3.19Å; E414-L417 WeakPolarHBondContact O-CB 3.29Å; E414-L417 PolarHBondContact O-N 3.14Å; E414-Y418 HydrophobicContact CG-CD2 4.33Å; E414-Y418 HydrophobicContact CG-CE2 3.57Å; E414-Y418 WeakPolarHBondContact O-CD2 3.4Å; E414-Y418 PolarHBondContact O-N 3.11Å; E414-Y418 VanDerWaalsContact OE1-CE2 3.3Å; E414-Y418 WeakPolarHBondContact OE1-CE2 3.45Å; E414-Y418 PolarHBondContact OE1-OH 3.29Å |
| 415 | Y | 92.1 | Very high | 90.9 | Very high | 131 Ų | 131 | 45.2 Ų | 45.2 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.6 | -34.1 | 177.9 | -63.4 | -70.9 | 0 | 0 | 0 | 112.4 | C412 V413 Y418 I419 | C412-Y415 HydrophobicContact CB-CD2 3.95Å; C412-Y415 HydrophobicContact CB-CE2 4.4Å; C412-Y415 PolarHBondContact O-N 2.69Å; C412-Y415 VanDerWaalsContact O-N 3.11Å; V413-Y415 PolarHBondContact O-N 3.08Å; Y415-Y418 HydrophobicContact CD1-CD2 4.36Å; Y415-Y418 PolarHBondContact O-N 3.49Å; Y415-I419 VanDerWaalsContact O-CG1 3.31Å; Y415-I419 WeakPolarHBondContact O-CG1 3.49Å; Y415-I419 PolarHBondContact O-N 2.88Å |
| 416 | K | 92.9 | Very high | 91.4 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.2 | -41 | 175.4 | -57.8 | 176.8 | -164.6 | 168.6 | 0 | 111.2 | E283 Y407 S408 L411 C412 V413 E414 Y418 I419 V420 | E283-K416 VanDerWaalsContact CD-CD 3.42Å; E283-K416 HydrophobicContact CG-CD 3.85Å; E283-K416 WeakPolarHBondContact OE1-CD 3.24Å; E283-K416 WeakPolarHBondContact OE1-CE 3.15Å; E283-K416 IonicContact OE1-NZ 3.17Å; E283-K416 PolarHBondContact OE1-NZ 2.65Å; E283-K416 IonicContact OE2-NZ 3.27Å; E283-K416 PolarHBondContact OE2-NZ 3.27Å; Y407-K416 HydrophobicContact CD2-CD 4.34Å; Y407-K416 HydrophobicContact CD2-CG 3.97Å; Y407-K416 HydrophobicContact CE2-CB 4.12Å; Y407-K416 HydrophobicContact CE2-CD 4.13Å; Y407-K416 HydrophobicContact CE2-CG 3.66Å; S408-K416 WeakPolarHBondContact O-CE 3.2Å; S408-K416 PolarHBondContact O-NZ 3.28Å; L411-K416 HydrophobicContact CB-CG 4.17Å; L411-K416 WeakPolarHBondContact O-CE 3.36Å; L411-K416 PolarHBondContact O-NZ 3.26Å; C412-K416 WeakPolarHBondContact O-CG 3.44Å; C412-K416 PolarHBondContact O-N 2.7Å; V413-K416 WeakPolarHBondContact O-CB 2.99Å; V413-K416 PolarHBondContact O-N 3.48Å; V413-K416 VanDerWaalsContact O-N 3.13Å; E414-K416 VanDerWaalsContact C-N 3.28Å; E414-K416 PolarHBondContact O-N 3.19Å; K416-Y418 VanDerWaalsContact C-N 3.35Å; K416-I419 PolarHBondContact O-N 3.4Å; K416-V420 WeakPolarHBondContact O-CG2 3.4Å; K416-V420 PolarHBondContact O-N 2.99Å |
| 417 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 174.3 | -77 | 166.2 | 0 | 0 | 0 | 111.3 | A180 F279 I340 L343 L344 V413 E414 I419 V420 L421 | A180-L417 HydrophobicContact CB-CD1 4.34Å; F279-L417 HydrophobicContact CD2-CD2 4.37Å; F279-L417 HydrophobicContact CE1-CD2 4.01Å; F279-L417 HydrophobicContact CE2-CD2 3.5Å; F279-L417 HydrophobicContact CE2-CG 3.79Å; F279-L417 HydrophobicContact CZ-CD2 3.3Å; F279-L417 HydrophobicContact CZ-CG 3.97Å; I340-L417 HydrophobicContact CG1-CD2 4.4Å; I340-L417 HydrophobicContact CG2-CB 4.37Å; I340-L417 HydrophobicContact CG2-CD2 4.12Å; L343-L417 HydrophobicContact CB-CD1 4.27Å; L343-L417 HydrophobicContact CB-CD2 4.35Å; L343-L417 HydrophobicContact CD1-CD2 4.38Å; L344-L417 HydrophobicContact CD2-CB 3.79Å; L344-L417 HydrophobicContact CD2-CD1 3.62Å; L344-L417 HydrophobicContact CD2-CG 4.35Å; L344-L417 HydrophobicContact CG-CB 4.2Å; L344-L417 HydrophobicContact CG-CD1 3.91Å; V413-L417 HydrophobicContact CG1-CD1 4.17Å; V413-L417 HydrophobicContact CG1-CG 4.49Å; V413-L417 PolarHBondContact O-N 3.23Å; E414-L417 WeakPolarHBondContact O-CB 3.29Å; E414-L417 PolarHBondContact O-N 3.14Å; L417-I419 PolarHBondContact O-N 3Å; L417-V420 PolarHBondContact O-N 3.36Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.45Å; L417-L421 PolarHBondContact O-N 2.84Å |
| 418 | Y | 95.5 | Very high | 92.1 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 41% | 0.408 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 173.8 | -65.1 | -44.7 | 0 | 0 | 0 | 113 | L344 E414 Y415 K416 L421 A422 | L344-Y418 HydrophobicContact CD1-CD1 4.32Å; L344-Y418 HydrophobicContact CD1-CE1 3.8Å; L344-Y418 HydrophobicContact CD2-CE1 4.25Å; E414-Y418 HydrophobicContact CG-CD2 4.33Å; E414-Y418 HydrophobicContact CG-CE2 3.57Å; E414-Y418 WeakPolarHBondContact O-CD2 3.4Å; E414-Y418 PolarHBondContact O-N 3.11Å; E414-Y418 VanDerWaalsContact OE1-CE2 3.3Å; E414-Y418 WeakPolarHBondContact OE1-CE2 3.45Å; E414-Y418 PolarHBondContact OE1-OH 3.29Å; Y415-Y418 HydrophobicContact CD1-CD2 4.36Å; Y415-Y418 PolarHBondContact O-N 3.49Å; K416-Y418 VanDerWaalsContact C-N 3.35Å; Y418-L421 PolarHBondContact O-N 3.07Å; Y418-A422 WeakPolarHBondContact O-CB 3.34Å; Y418-A422 PolarHBondContact O-N 2.6Å |
| 419 | I | 95.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 175.6 | -68.8 | 164.3 | 0 | 0 | 0 | 110.5 | F275 Y407 L411 Y415 K416 L417 L421 A422 V423 | F275-I419 HydrophobicContact CD1-CG2 4.43Å; F275-I419 HydrophobicContact CE1-CG2 3.96Å; Y407-I419 HydrophobicContact CD1-CD1 4.34Å; Y407-I419 HydrophobicContact CE1-CD1 3.98Å; Y407-I419 HydrophobicContact CE1-CG2 4.07Å; L411-I419 HydrophobicContact CD1-CD1 3.6Å; Y415-I419 VanDerWaalsContact O-CG1 3.31Å; Y415-I419 WeakPolarHBondContact O-CG1 3.49Å; Y415-I419 PolarHBondContact O-N 2.88Å; K416-I419 PolarHBondContact O-N 3.4Å; L417-I419 PolarHBondContact O-N 3Å; I419-L421 VanDerWaalsContact C-N 3.26Å; I419-L421 PolarHBondContact O-N 2.69Å; I419-A422 PolarHBondContact O-N 3.24Å; I419-V423 WeakPolarHBondContact O-CG2 3.12Å; I419-V423 PolarHBondContact O-N 3.39Å |
| 420 | V | 95.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | Y272 F275 F279 I340 K416 L417 V423 L424 | Y272-V420 HydrophobicContact CE2-CG1 3.85Å; F275-V420 HydrophobicContact CB-CG2 4.44Å; F279-V420 HydrophobicContact CB-CG2 4.21Å; F279-V420 HydrophobicContact CD2-CG2 4.49Å; I340-V420 HydrophobicContact CD1-CG1 3.89Å; K416-V420 WeakPolarHBondContact O-CG2 3.4Å; K416-V420 PolarHBondContact O-N 2.99Å; L417-V420 PolarHBondContact O-N 3.36Å; V420-V423 PolarHBondContact O-N 3.29Å; V420-L424 WeakPolarHBondContact O-CB 3.4Å; V420-L424 PolarHBondContact O-N 3.05Å |
| 421 | L | 96.2 | Very high | 93.9 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 19% | 0.194 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.4 | -44.8 | 175.4 | -178.6 | 58.9 | 0 | 0 | 0 | 112.6 | L337 I340 L417 Y418 I419 V423 L424 V425 | L337-L421 HydrophobicContact CD1-CD1 3.33Å; I340-L421 HydrophobicContact CG2-CB 4.19Å; L417-L421 VanDerWaalsContact O-CB 3.31Å; L417-L421 WeakPolarHBondContact O-CB 3.45Å; L417-L421 PolarHBondContact O-N 2.84Å; Y418-L421 PolarHBondContact O-N 3.07Å; I419-L421 VanDerWaalsContact C-N 3.26Å; I419-L421 PolarHBondContact O-N 2.69Å; L421-V423 VanDerWaalsContact C-N 3.34Å; L421-V423 PolarHBondContact O-N 3.49Å; L421-L424 WeakPolarHBondContact O-CB 3.33Å; L421-L424 PolarHBondContact O-N 2.88Å; L421-V425 HydrophobicContact CD1-CG2 4.42Å; L421-V425 WeakPolarHBondContact O-CG2 3.25Å; L421-V425 PolarHBondContact O-N 3.21Å |
| 422 | A | 96.4 | Very high | 94.2 | Very high | 50 Ų | 50 | 41 Ų | 41 | 41% | 0.413 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.7 | -44 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y418 I419 L424 V425 I426 | Y418-A422 WeakPolarHBondContact O-CB 3.34Å; Y418-A422 PolarHBondContact O-N 2.6Å; I419-A422 PolarHBondContact O-N 3.24Å; A422-L424 VanDerWaalsContact C-N 3.34Å; A422-L424 PolarHBondContact O-N 2.86Å; A422-V425 PolarHBondContact O-N 3.46Å; A422-I426 VanDerWaalsContact O-CG1 3.28Å; A422-I426 WeakPolarHBondContact O-CG1 3.15Å; A422-I426 PolarHBondContact O-N 3.49Å |
| 423 | V | 96.2 | Very high | 94.3 | Very high | 24 Ų | 24 | 44.7 Ų | 44.7 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.5 | -37.5 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | Y272 F275 I419 V420 L421 I426 S427 | Y272-V423 HydrophobicContact CD2-CB 4.34Å; Y272-V423 HydrophobicContact CD2-CG1 4.1Å; F275-V423 HydrophobicContact CD2-CB 4.49Å; F275-V423 HydrophobicContact CD2-CG1 4.01Å; F275-V423 HydrophobicContact CD2-CG2 4.21Å; F275-V423 HydrophobicContact CE2-CG1 4.4Å; F275-V423 HydrophobicContact CE2-CG2 4.09Å; F275-V423 HydrophobicContact CZ-CG2 4.39Å; I419-V423 WeakPolarHBondContact O-CG2 3.12Å; I419-V423 PolarHBondContact O-N 3.39Å; V420-V423 PolarHBondContact O-N 3.29Å; L421-V423 VanDerWaalsContact C-N 3.34Å; L421-V423 PolarHBondContact O-N 3.49Å; V423-I426 PolarHBondContact O-N 3.02Å; V423-S427 WeakPolarHBondContact O-CB 3.36Å; V423-S427 PolarHBondContact O-N 2.86Å; V423-S427 PolarHBondContact O-OG 3.13Å |
| 424 | L | 96.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -49.9 | 172.6 | 177.8 | 58.1 | 0 | 0 | 0 | 111.2 | Y272 A333 N336 L337 I340 W370 V420 L421 A422 I426 S427 M428 | Y272-L424 HydrophobicContact CD1-CD1 4.29Å; Y272-L424 HydrophobicContact CD2-CB 3.97Å; Y272-L424 HydrophobicContact CE1-CD1 3.75Å; Y272-L424 HydrophobicContact CE2-CB 3.48Å; Y272-L424 VanDerWaalsContact CE2-CB 3.48Å; Y272-L424 HydrophobicContact CE2-CD1 4.06Å; Y272-L424 HydrophobicContact CE2-CG 4.23Å; A333-L424 HydrophobicContact CB-CD1 4Å; N336-L424 HydrophobicContact CB-CD2 4.22Å; L337-L424 HydrophobicContact CB-CD2 4.26Å; I340-L424 HydrophobicContact CD1-CD2 4.48Å; W370-L424 HydrophobicContact CH2-CD1 4.21Å; W370-L424 HydrophobicContact CZ2-CD1 3.97Å; V420-L424 WeakPolarHBondContact O-CB 3.4Å; V420-L424 PolarHBondContact O-N 3.05Å; L421-L424 WeakPolarHBondContact O-CB 3.33Å; L421-L424 PolarHBondContact O-N 2.88Å; A422-L424 VanDerWaalsContact C-N 3.34Å; A422-L424 PolarHBondContact O-N 2.86Å; L424-I426 PolarHBondContact O-N 3.24Å; L424-S427 WeakPolarHBondContact O-CB 3.41Å; L424-S427 PolarHBondContact O-N 2.71Å; L424-S427 VanDerWaalsContact O-N 3.16Å; L424-M428 HydrophobicContact CD1-CG 4.16Å; L424-M428 WeakPolarHBondContact O-CG 3.5Å; L424-M428 PolarHBondContact O-N 3.32Å |
| 425 | V | 96.3 | Very high | 94.1 | Very high | 73 Ų | 73 | 44.7 Ų | 44.7 | 44% | 0.442 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -44.8 | -179.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L421 A422 S427 M428 I429 | L421-V425 HydrophobicContact CD1-CG2 4.42Å; L421-V425 WeakPolarHBondContact O-CG2 3.25Å; L421-V425 PolarHBondContact O-N 3.21Å; A422-V425 PolarHBondContact O-N 3.46Å; V425-S427 VanDerWaalsContact C-N 3.32Å; V425-S427 PolarHBondContact O-N 3.46Å; V425-M428 PolarHBondContact O-N 2.93Å; V425-I429 HydrophobicContact CG1-CD1 4.09Å; V425-I429 WeakPolarHBondContact O-CG1 3.44Å; V425-I429 PolarHBondContact O-N 3.31Å; V425-I429 VanDerWaalsContact O-N 3.11Å |
| 426 | I | 96.3 | Very high | 94 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.3 | -45.5 | 175.6 | -66.2 | 165.8 | 0 | 0 | 0 | 110.3 | P268 A422 V423 L424 M428 I429 T430 | P268-I426 HydrophobicContact CB-CG2 3.75Å; P268-I426 HydrophobicContact CG-CG2 3.88Å; A422-I426 VanDerWaalsContact O-CG1 3.28Å; A422-I426 WeakPolarHBondContact O-CG1 3.15Å; A422-I426 PolarHBondContact O-N 3.49Å; V423-I426 PolarHBondContact O-N 3.02Å; L424-I426 PolarHBondContact O-N 3.24Å; I426-M428 VanDerWaalsContact C-N 3.28Å; I426-M428 PolarHBondContact O-N 2.94Å; I426-I429 WeakPolarHBondContact O-CB 3.26Å; I426-I429 PolarHBondContact O-N 3.18Å; I426-T430 HydrophobicContact CG2-CG2 4.19Å; I426-T430 WeakPolarHBondContact O-CG2 3.29Å; I426-T430 PolarHBondContact O-N 2.85Å; I426-T430 PolarHBondContact O-OG1 3.17Å |
| 427 | S | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -38.7 | 178.5 | -57.1 | 0 | 0 | 0 | 0 | 112.4 | P268 L269 V423 L424 V425 I429 T430 Y431 | P268-S427 PolarHBondContact O-OG 3.2Å; P268-S427 VanDerWaalsContact O-OG 3.05Å; L269-S427 WeakPolarHBondContact CA-OG 3.5Å; L269-S427 PolarHBondContact N-OG 3.43Å; V423-S427 WeakPolarHBondContact O-CB 3.36Å; V423-S427 PolarHBondContact O-N 2.86Å; V423-S427 PolarHBondContact O-OG 3.13Å; L424-S427 WeakPolarHBondContact O-CB 3.41Å; L424-S427 PolarHBondContact O-N 2.71Å; L424-S427 VanDerWaalsContact O-N 3.16Å; V425-S427 VanDerWaalsContact C-N 3.32Å; V425-S427 PolarHBondContact O-N 3.46Å; S427-I429 VanDerWaalsContact C-N 3.27Å; S427-I429 PolarHBondContact O-N 3.28Å; S427-T430 PolarHBondContact O-N 3.01Å; S427-Y431 VanDerWaalsContact O-CB 3.23Å; S427-Y431 WeakPolarHBondContact O-CB 3.44Å; S427-Y431 PolarHBondContact O-N 3.26Å |
| 428 | M | 94.5 | Very high | 93.4 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 16% | 0.163 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.9 | -17.1 | 177.1 | -68.3 | -50.7 | -63.5 | 0 | 0 | 114 | F330 A333 W370 L424 V425 I426 P432 | F330-M428 HydrophobicContact CB-CE 4.49Å; F330-M428 HydrophobicContact CD1-CE 3.15Å; F330-M428 HydrophobicContact CE1-CE 3.28Å; F330-M428 HydrophobicContact CG-CE 3.85Å; F330-M428 HydrophobicContact CZ-CE 4.06Å; A333-M428 HydrophobicContact CB-CE 3.78Å; A333-M428 HydrophobicContact CB-CG 3.74Å; A333-M428 HydrophobicContact CB-SD 3.4Å; A333-M428 WeakPolarHBondContact CB-SD 3.36Å; W370-M428 HydrophobicContact CH2-SD 4.02Å; L424-M428 HydrophobicContact CD1-CG 4.16Å; L424-M428 WeakPolarHBondContact O-CG 3.5Å; L424-M428 PolarHBondContact O-N 3.32Å; V425-M428 PolarHBondContact O-N 2.93Å; I426-M428 VanDerWaalsContact C-N 3.28Å; I426-M428 PolarHBondContact O-N 2.94Å; M428-P432 WeakPolarHBondContact O-CD 3.48Å; M428-P432 WeakPolarHBondContact O-CG 3.3Å |
| 429 | I | 93.9 | Very high | 92.9 | Very high | 107 Ų | 107 | 57.1 Ų | 57.1 | 55% | 0.549 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -85.7 | -44.7 | 170.7 | -65.2 | 164.2 | 0 | 0 | 0 | 110 | V425 I426 S427 L433 | V425-I429 HydrophobicContact CG1-CD1 4.09Å; V425-I429 WeakPolarHBondContact O-CG1 3.44Å; V425-I429 PolarHBondContact O-N 3.31Å; V425-I429 VanDerWaalsContact O-N 3.11Å; I426-I429 WeakPolarHBondContact O-CB 3.26Å; I426-I429 PolarHBondContact O-N 3.18Å; S427-I429 VanDerWaalsContact C-N 3.27Å; S427-I429 PolarHBondContact O-N 3.28Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å |
| 430 | T | 93.9 | Very high | 92.6 | Very high | 23 Ų | 23 | 61.5 Ų | 61.5 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -77.9 | -36.8 | -173.1 | 65.2 | 0 | 0 | 0 | 0 | 113.3 | T265 P268 I426 S427 L433 V434 | T265-T430 HydrophobicContact CG2-CG2 4.38Å; T265-T430 WeakPolarHBondContact CG2-O 3.39Å; T265-T430 WeakPolarHBondContact O-CB 3.42Å; T265-T430 PolarHBondContact O-OG1 3.29Å; P268-T430 HydrophobicContact CG-CG2 4.22Å; I426-T430 HydrophobicContact CG2-CG2 4.19Å; I426-T430 WeakPolarHBondContact O-CG2 3.29Å; I426-T430 PolarHBondContact O-N 2.85Å; I426-T430 PolarHBondContact O-OG1 3.17Å; S427-T430 PolarHBondContact O-N 3.01Å; T430-L433 WeakPolarHBondContact O-CB 3.38Å; T430-L433 PolarHBondContact O-N 3.16Å; T430-V434 PolarHBondContact O-N 2.96Å |
| 431 | Y | 93.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -50.3 | -179.3 | 163.9 | -107.2 | 0 | 0 | 0 | 113.4 | L266 L269 A326 F329 L377 S427 L433 V434 E435 | L266-Y431 HydrophobicContact CD2-CD2 4.34Å; L269-Y431 HydrophobicContact CD2-CD2 4.08Å; L269-Y431 HydrophobicContact CD2-CG 4.45Å; A326-Y431 WeakPolarHBondContact CA-OH 3.37Å; A326-Y431 HydrophobicContact CB-CE1 4.23Å; F329-Y431 HydrophobicContact CB-CD1 4.34Å; F329-Y431 HydrophobicContact CB-CE1 4.02Å; F329-Y431 HydrophobicContact CD2-CD1 4.09Å; F329-Y431 HydrophobicContact CD2-CD2 4.28Å; F329-Y431 AromaticContact CD2-CE1 3.46Å; F329-Y431 HydrophobicContact CD2-CE1 3.46Å; F329-Y431 VanDerWaalsContact CD2-CE1 3.46Å; F329-Y431 AromaticContact CD2-CE2 3.71Å; F329-Y431 HydrophobicContact CD2-CE2 3.71Å; F329-Y431 HydrophobicContact CD2-CG 4.47Å; F329-Y431 AromaticContact CD2-CZ 3.27Å; F329-Y431 WeakPolarHBondContact CD2-OH 3.1Å; F329-Y431 HydrophobicContact CE2-CD2 4.16Å; F329-Y431 HydrophobicContact CE2-CE1 4.22Å; F329-Y431 AromaticContact CE2-CE2 3.59Å; F329-Y431 HydrophobicContact CE2-CE2 3.59Å; F329-Y431 AromaticContact CE2-CZ 3.64Å; F329-Y431 HydrophobicContact CG-CE1 4.14Å; L377-Y431 HydrophobicContact CD2-CD2 4.13Å; L377-Y431 HydrophobicContact CD2-CE2 3.93Å; S427-Y431 VanDerWaalsContact O-CB 3.23Å; S427-Y431 WeakPolarHBondContact O-CB 3.44Å; S427-Y431 PolarHBondContact O-N 3.26Å; Y431-L433 PolarHBondContact O-N 3.32Å; Y431-V434 PolarHBondContact O-N 3.34Å; Y431-E435 HydrophobicContact CE2-CB 4.34Å; Y431-E435 WeakPolarHBondContact CE2-OE2 3.39Å; Y431-E435 PolarHBondContact O-N 3.39Å; Y431-E435 VanDerWaalsContact O-N 3.12Å; Y431-E435 PolarHBondContact OH-OE2 3.34Å |
| 432 | P | 92.3 | Very high | 91.5 | Very high | 41 Ų | 41 | 68.1 Ų | 68.1 | 27% | 0.266 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.3 | -28.8 | 179.5 | -26.5 | 36.6 | 0 | 0 | 0 | 113.9 | F330 M428 V434 E435 Y436 | F330-P432 HydrophobicContact CZ-CG 4.04Å; M428-P432 WeakPolarHBondContact O-CD 3.48Å; M428-P432 WeakPolarHBondContact O-CG 3.3Å; P432-V434 VanDerWaalsContact C-N 3.31Å; P432-V434 PolarHBondContact O-N 3.02Å; P432-E435 PolarHBondContact O-N 3.43Å; P432-Y436 VanDerWaalsContact O-CB 3.26Å; P432-Y436 WeakPolarHBondContact O-CB 3.36Å; P432-Y436 PolarHBondContact O-N 3.12Å |
| 433 | L | 91 | Very high | 90.7 | Very high | 105 Ų | 105 | 67.6 Ų | 67.6 | 55% | 0.55 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 175.4 | -63.1 | 173.7 | 0 | 0 | 0 | 111.5 | T265 I429 T430 Y431 Y437 | T265-L433 HydrophobicContact CG2-CB 4.46Å; I429-L433 WeakPolarHBondContact O-CG 3.47Å; T430-L433 WeakPolarHBondContact O-CB 3.38Å; T430-L433 PolarHBondContact O-N 3.16Å; Y431-L433 PolarHBondContact O-N 3.32Å; L433-Y437 WeakPolarHBondContact O-CB 3.49Å; L433-Y437 PolarHBondContact O-N 3.05Å |
| 434 | V | 90.1 | Very high | 89.5 | Confident | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.024 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -70.4 | -44 | 178 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | R262 T265 L266 L381 T430 Y431 P432 Y436 Y437 E438 | R262-V434 HydrophobicContact CB-CG1 4.49Å; T265-V434 HydrophobicContact CG2-CG2 3.55Å; L266-V434 HydrophobicContact CD1-CG1 4.32Å; L266-V434 HydrophobicContact CD2-CB 4.22Å; L266-V434 HydrophobicContact CD2-CG1 4.22Å; L266-V434 HydrophobicContact CD2-CG2 4.11Å; L266-V434 HydrophobicContact CG-CG1 4.24Å; L266-V434 HydrophobicContact CG-CG2 4.13Å; L381-V434 HydrophobicContact CD1-CG1 3.95Å; T430-V434 PolarHBondContact O-N 2.96Å; Y431-V434 PolarHBondContact O-N 3.34Å; P432-V434 VanDerWaalsContact C-N 3.31Å; P432-V434 PolarHBondContact O-N 3.02Å; V434-Y436 PolarHBondContact O-N 3.13Å; V434-Y437 PolarHBondContact O-N 3.34Å; V434-E438 WeakPolarHBondContact O-CB 3.49Å; V434-E438 PolarHBondContact O-N 3.48Å |
| 435 | E | 88.9 | Confident | 88 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 27% | 0.271 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 178.4 | -161.4 | 79.7 | -168 | 0 | 0 | 111.4 | Y431 P432 E438 Y439 | Y431-E435 HydrophobicContact CE2-CB 4.34Å; Y431-E435 WeakPolarHBondContact CE2-OE2 3.39Å; Y431-E435 PolarHBondContact O-N 3.39Å; Y431-E435 VanDerWaalsContact O-N 3.12Å; Y431-E435 PolarHBondContact OH-OE2 3.34Å; P432-E435 PolarHBondContact O-N 3.43Å; E435-E438 PolarHBondContact O-N 2.99Å; E435-Y439 WeakPolarHBondContact O-CB 3.29Å; E435-Y439 PolarHBondContact O-N 2.93Å |
| 436 | Y | 89.1 | Confident | 86.4 | Confident | 156 Ų | 156 | 79.2 Ų | 79.2 | 61% | 0.612 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.2 | -40.9 | 175.5 | 178.6 | -103.2 | 0 | 0 | 0 | 112.3 | P432 V434 Y439 K440 | P432-Y436 VanDerWaalsContact O-CB 3.26Å; P432-Y436 WeakPolarHBondContact O-CB 3.36Å; P432-Y436 PolarHBondContact O-N 3.12Å; V434-Y436 PolarHBondContact O-N 3.13Å; Y436-Y439 PolarHBondContact O-N 3.26Å; Y436-K440 PolarHBondContact O-N 2.77Å; Y436-K440 VanDerWaalsContact O-N 3.11Å |
| 437 | Y | 87.8 | Confident | 84 | Confident | 116 Ų | 116 | 83.2 Ų | 83.2 | 46% | 0.455 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 175.7 | -178.7 | -90.7 | 0 | 0 | 0 | 111.7 | R262 L433 V434 Y439 K440 N441 | R262-Y437 HydrophobicContact CG-CD1 4.24Å; R262-Y437 HydrophobicContact CG-CE1 4.37Å; L433-Y437 WeakPolarHBondContact O-CB 3.49Å; L433-Y437 PolarHBondContact O-N 3.05Å; V434-Y437 PolarHBondContact O-N 3.34Å; Y437-Y439 VanDerWaalsContact C-N 3.35Å; Y437-K440 PolarHBondContact O-N 2.9Å; Y437-N441 HydrophobicContact CE1-CB 4.19Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.47Å; Y437-N441 PolarHBondContact O-N 3.44Å |
| 438 | E | 86.6 | Confident | 81.4 | Confident | 29 Ų | 29 | 91.3 Ų | 91.3 | 14% | 0.136 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 178.1 | -172 | 64 | -164.3 | 0 | 0 | 111.8 | R262 L381 V434 E435 K440 N441 P442 T443 | R262-E438 IonicContact NH1-OE2 3.33Å; L381-E438 HydrophobicContact CD2-CB 4.26Å; L381-E438 HydrophobicContact CD2-CG 3.88Å; L381-E438 VanDerWaalsContact CD2-OE2 3.25Å; L381-E438 WeakPolarHBondContact CD2-OE2 3.23Å; V434-E438 WeakPolarHBondContact O-CB 3.49Å; V434-E438 PolarHBondContact O-N 3.48Å; E435-E438 PolarHBondContact O-N 2.99Å; E438-K440 VanDerWaalsContact C-N 3.29Å; E438-K440 PolarHBondContact O-N 3.28Å; E438-N441 CarbonylContact O-C 3.57Å; E438-N441 VanDerWaalsContact O-C 3.27Å; E438-N441 PolarHBondContact O-N 3.01Å; E438-P442 VanDerWaalsContact O-CA 3.26Å; E438-P442 WeakPolarHBondContact O-CA 3.42Å; E438-P442 VanDerWaalsContact O-N 3.14Å; E438-T443 VanDerWaalsContact CD-OG1 3.28Å; E438-T443 WeakPolarHBondContact OE1-CB 3.32Å; E438-T443 PolarHBondContact OE1-N 2.67Å; E438-T443 PolarHBondContact OE1-OG1 3.37Å; E438-T443 PolarHBondContact OE2-OG1 3.07Å |
| 439 | Y | 86.1 | Confident | 78.6 | Confident | 202 Ų | 202 | 93.7 Ų | 93.7 | 79% | 0.792 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.9 | -38.9 | 172.9 | 176.9 | -100.3 | 0 | 0 | 0 | 112.1 | E435 Y436 Y437 | E435-Y439 WeakPolarHBondContact O-CB 3.29Å; E435-Y439 PolarHBondContact O-N 2.93Å; Y436-Y439 PolarHBondContact O-N 3.26Å; Y437-Y439 VanDerWaalsContact C-N 3.35Å |
| 440 | K | 87.9 | Confident | 75.7 | Confident | 144 Ų | 144 | 92.6 Ų | 92.6 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -78.9 | -34.7 | 179.2 | -170 | 175.7 | 179 | -179.5 | 0 | 113 | Y436 Y437 E438 | Y436-K440 PolarHBondContact O-N 2.77Å; Y436-K440 VanDerWaalsContact O-N 3.11Å; Y437-K440 PolarHBondContact O-N 2.9Å; E438-K440 VanDerWaalsContact C-N 3.29Å; E438-K440 PolarHBondContact O-N 3.28Å |
| 441 | N | 85.8 | Confident | 72.8 | Confident | 75 Ų | 75 | 102.5 Ų | 102.5 | 40% | 0.401 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -130.2 | 75.8 | -177 | -56.8 | -65.6 | 0 | 0 | 0 | 109.9 | Y437 E438 T443 | Y437-N441 HydrophobicContact CE1-CB 4.19Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.47Å; Y437-N441 PolarHBondContact O-N 3.44Å; E438-N441 CarbonylContact O-C 3.57Å; E438-N441 VanDerWaalsContact O-C 3.27Å; E438-N441 PolarHBondContact O-N 3.01Å; N441-T443 PolarHBondContact O-N 3Å |
| 442 | P | 82.3 | Confident | 69.7 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 133.4 | -175 | 23.5 | -32.5 | 0 | 0 | 0 | 111.5 | E438 E444 | E438-P442 VanDerWaalsContact O-CA 3.26Å; E438-P442 WeakPolarHBondContact O-CA 3.42Å; E438-P442 VanDerWaalsContact O-N 3.14Å; P442-E444 PolarHBondContact O-N 3.06Å |
| 443 | T | 80.1 | Confident | 66.9 | Low | 39 Ų | 39 | 115.6 Ų | 115.6 | 24% | 0.239 | 57% | 0.573 | C | S | . | * | P | Polyproline II helix | trans | -65.5 | 126.4 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 109.6 | R262 P383 E438 N441 | R262-T443 PolarHBondContact NH1-OG1 2.85Å; P383-T443 HydrophobicContact CG-CG2 3.94Å; E438-T443 VanDerWaalsContact CD-OG1 3.28Å; E438-T443 WeakPolarHBondContact OE1-CB 3.32Å; E438-T443 PolarHBondContact OE1-N 2.67Å; E438-T443 PolarHBondContact OE1-OG1 3.37Å; E438-T443 PolarHBondContact OE2-OG1 3.07Å; N441-T443 PolarHBondContact O-N 3Å |
| 444 | E | 72.3 | Confident | 63.9 | Low | 137 Ų | 137 | 116.2 Ų | 116.2 | 64% | 0.64 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 129.8 | 179.4 | -68.5 | 179.1 | 168.6 | 0 | 0 | 111.3 | R384 P442 | R384-E444 IonicContact NH2-OE2 3.06Å; P442-E444 PolarHBondContact O-N 3.06Å |
| 445 | P | 64.3 | Low | 61.2 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.8 | 171.7 | 25.5 | -30.7 | 0 | 0 | 0 | 109.8 | E447 | P445-E447 PolarHBondContact O-N 3.3Š|
| 446 | I | 62.8 | Low | 58.7 | Low | 92 Ų | 92 | 128.5 Ų | 128.5 | 47% | 0.472 | 64% | 0.642 | S | S | . | * | trans | -66.5 | 110.7 | 171.7 | -64.3 | 167.3 | 0 | 0 | 0 | 107.5 | P383 R384 Q448 | P383-I446 VanDerWaalsContact C-CD1 3.5Å; P383-I446 HydrophobicContact CB-CD1 3.75Å; P383-I446 HydrophobicContact CB-CG1 4.04Å; P383-I446 HydrophobicContact CG-CG1 4.47Å; P383-I446 VanDerWaalsContact O-CD1 3.25Å; P383-I446 WeakPolarHBondContact O-CD1 3.28Å; R384-I446 HydrophobicContact CG-CD1 4.32Å; R384-I446 HydrophobicContact CG-CG1 4.19Å; I446-Q448 PolarHBondContact O-N 2.92Å | ||
| 447 | E | 45.3 | Very low | 56.1 | Low | 169 Ų | 169 | 131.5 Ų | 131.5 | 79% | 0.79 | 66% | 0.658 | S | S | * | * | trans | -53.6 | 130.7 | 162.6 | -105.9 | -179.5 | 163.2 | 0 | 0 | 108.3 | P445 A449 | P445-E447 PolarHBondContact O-N 3.3Å; E447-A449 PolarHBondContact O-N 3.28Å | ||
| 448 | Q | 40.1 | Very low | 53.6 | Low | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | trans | -69.6 | 46.1 | 179.2 | -67.4 | -178.6 | -38.5 | 0 | 0 | 112.3 | I446 | I446-Q448 PolarHBondContact O-N 2.92Š| ||
| 449 | A | 36 | Very low | 51.1 | Low | 82 Ų | 82 | 134.8 Ų | 134.8 | 68% | 0.678 | 70% | 0.695 | S | S | * | * | trans | -83.3 | 120.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | E447 | E447-A449 PolarHBondContact O-N 3.28Š| ||
| 450 | A | 33.8 | Very low | 48.6 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 76.3 | 63.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 451 | Y | 33.8 | Very low | 46 | Very low | 230 Ų | 230 | 132.9 Ų | 132.9 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | trans | -97.8 | 49.7 | 131.5 | -90.9 | -83.2 | 0 | 0 | 0 | 108.8 | I453 | Y451-I453 PolarHBondContact O-N 2.91Å; Y451-I453 VanDerWaalsContact O-N 3.17Å | ||
| 452 | E | 26.4 | Very low | 43.5 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -74 | 102.9 | 157 | -74.8 | -169.4 | 165.3 | 0 | 0 | 106.1 | ||||
| 453 | I | 33.7 | Very low | 41.4 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | trans | -44.6 | 126.7 | 155.1 | -59.5 | 167.7 | 0 | 0 | 0 | 105.3 | Y451 K455 | Y451-I453 PolarHBondContact O-N 2.91Å; Y451-I453 VanDerWaalsContact O-N 3.17Å; I453-K455 VanDerWaalsContact C-N 3.29Å; I453-K455 PolarHBondContact O-N 2.74Å | ||
| 454 | P | 29.7 | Very low | 39.2 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | trans | -58.7 | 101.1 | 173.5 | 22.9 | -30 | 0 | 0 | 0 | 107.1 | N456 | P454-N456 PolarHBondContact O-N 3.38Š| ||
| 455 | K | 33.1 | Very low | 37.2 | Very low | 194 Ų | 194 | 139.6 Ų | 139.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -58.3 | 124.4 | 166 | -92.9 | -178.8 | 173.6 | 177.3 | 0 | 105.7 | I453 K457 | I453-K455 VanDerWaalsContact C-N 3.29Å; I453-K455 PolarHBondContact O-N 2.74Å; K455-K457 PolarHBondContact O-N 3.21Å | ||
| 456 | N | 36.4 | Very low | 35.6 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 78% | 0.776 | S | S | * | * | trans | -20.9 | 104.4 | 170.6 | -75.2 | -9.4 | 0 | 0 | 0 | 113.3 | P454 A458 | P454-N456 PolarHBondContact O-N 3.38Å; N456-A458 PolarHBondContact O-N 3.22Å | ||
| 457 | K | 33.2 | Very low | 34.1 | Very low | 219 Ų | 219 | 144 Ų | 144 | 95% | 0.952 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 55.9 | 151 | -81.1 | -168.3 | 174.2 | -176.6 | 0 | 109.1 | K455 | K455-K457 PolarHBondContact O-N 3.21Š|
| 458 | A | 35.1 | Very low | 33.4 | Very low | 76 Ų | 76 | 147 Ų | 147 | 63% | 0.628 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | -7.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N456 | N456-A458 PolarHBondContact O-N 3.22Š|
| 459 | D | 35.9 | Very low | 32.9 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -115.9 | 14.9 | -172.7 | -66.3 | -35.7 | 0 | 0 | 0 | 115.2 | ||
| 460 | E | 33.1 | Very low | 32.8 | Very low | 200 Ų | 200 | 154.2 Ų | 154.2 | 94% | 0.935 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -122.7 | 19.8 | 178.7 | -100.1 | -176.3 | 176.8 | 0 | 0 | 115.1 | ||
| 461 | A | 33.9 | Very low | 32.7 | Very low | 106 Ų | 106 | 157.8 Ų | 157.8 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -129 | 69.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 462 | G | 33.3 | Very low | 32.7 | Very low | 71 Ų | 71 | 153.8 Ų | 153.8 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -177.5 | 21.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 463 | I | 38 | Very low | 33 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 86% | 0.862 | 82% | 0.816 | S | S | * | * | trans | -136.9 | 81.5 | 167.4 | -51 | 178.5 | 0 | 0 | 0 | 108.5 | ||||
| 464 | I | 34.3 | Very low | 33 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 82% | 0.821 | 82% | 0.822 | S | S | * | * | trans | -128.3 | 113 | 150.2 | -60.8 | -178.5 | 0 | 0 | 0 | 106.6 | ||||
| 465 | S | 30.3 | Very low | 33.2 | Very low | 93 Ų | 93 | 155.5 Ų | 155.5 | 65% | 0.65 | 83% | 0.825 | S | S | * | * | trans | -56.4 | 132.3 | 169.1 | 57.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 466 | Q | 30.3 | Very low | 33.2 | Very low | 199 Ų | 199 | 152.8 Ų | 152.8 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -126.3 | 103.7 | 147.2 | -80.4 | -165.8 | -17.3 | 0 | 0 | 109.1 | ||||
| 467 | T | 30.5 | Very low | 33 | Very low | 102 Ų | 102 | 154.8 Ų | 154.8 | 63% | 0.626 | 84% | 0.835 | S | S | * | * | trans | -97.8 | 133.5 | 167.1 | 7.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 468 | W | 31.4 | Very low | 33 | Very low | 231 Ų | 231 | 149.5 Ų | 149.5 | 88% | 0.875 | 83% | 0.825 | S | S | * | * | trans | 66.5 | 105.6 | 159.2 | -50.4 | 107.3 | 0 | 0 | 0 | 118.8 | ||||
| 469 | M | 29.5 | Very low | 32.8 | Very low | 251 Ų | 251 | 156.2 Ų | 156.2 | 100% | 1.236 | 84% | 0.843 | S | S | * | * | 150.4 | 0 | 100.3 | -161.8 | 168.8 | -79.5 | 0 | 0 | 110.8 |
Retrieved 469 of 469 residues in 985.4 ms
(Link to these results)