| 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 | 45.4 | Very low | 68.3 | Low | 198 Ų | 198 | 82.5 Ų | 82.5 | 98% | 0.975 | 39% | 0.389 | S | S | * | . | 0 | 102.9 | 0 | -152.8 | -179.7 | -166.7 | 0 | 0 | 108.1 | T3 | M1-T3 PolarHBondContact O-N 3.23Š| |||
| 2 | L | 51.1 | Low | 69.8 | Low | 76 Ų | 76 | 76.3 Ų | 76.3 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | trans | -61.8 | 104.3 | -175.6 | -76.8 | 95.7 | 0 | 0 | 0 | 110.5 | Y4 L7 K58 Y94 | L2-Y4 HydrophobicContact CB-CD2 4.43Å; L2-Y4 HydrophobicContact CB-CE2 4.38Å; L2-Y4 HydrophobicContact CD2-CE2 4.2Å; L2-Y4 PolarHBondContact O-N 3.27Å; L2-L7 HydrophobicContact CD2-CD1 4.41Å; L2-K58 PolarHBondContact O-NZ 2.88Å; L2-Y94 HydrophobicContact CD2-CD2 3.73Å; L2-Y94 HydrophobicContact CD2-CG 3.91Å; L2-Y94 HydrophobicContact CG-CD2 4.22Å | ||
| 3 | T | 57 | Low | 70.6 | Confident | 46 Ų | 46 | 82.9 Ų | 82.9 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | trans | -86.5 | 97.9 | 160.2 | 43 | 0 | 0 | 0 | 0 | 107.2 | M1 H5 R6 | M1-T3 PolarHBondContact O-N 3.23Å; T3-H5 PolarHBondContact O-N 3.01Å; T3-H5 VanDerWaalsContact O-N 3.07Å; T3-R6 WeakPolarHBondContact O-CB 3.27Å; T3-R6 PolarHBondContact O-N 3.3Å; T3-R6 WeakPolarHBondContact OG1-CD 3.41Å; T3-R6 WeakPolarHBondContact OG1-CG 3.44Å | ||
| 4 | Y | 63.8 | Low | 70.9 | Confident | 5 Ų | 5 | 83.9 Ų | 83.9 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -52.4 | -25.4 | 175.8 | -91.3 | -87.2 | 0 | 0 | 0 | 113.7 | L2 R6 L7 L8 V48 L51 T52 L90 F106 | L2-Y4 HydrophobicContact CB-CD2 4.43Å; L2-Y4 HydrophobicContact CB-CE2 4.38Å; L2-Y4 HydrophobicContact CD2-CE2 4.2Å; L2-Y4 PolarHBondContact O-N 3.27Å; Y4-R6 PolarHBondContact O-N 2.84Å; Y4-L7 HydrophobicContact CD1-CD1 3.48Å; Y4-L7 VanDerWaalsContact CD1-CD1 3.48Å; Y4-L7 HydrophobicContact CE1-CD1 3.6Å; Y4-L7 HydrophobicContact CG-CD1 4.11Å; Y4-L7 WeakPolarHBondContact O-CA 3.48Å; Y4-L7 VanDerWaalsContact O-CB 3.31Å; Y4-L7 WeakPolarHBondContact O-CB 3.25Å; Y4-L7 PolarHBondContact O-N 2.95Å; Y4-L8 PolarHBondContact O-N 3.38Å; Y4-L8 VanDerWaalsContact O-N 3.11Å; Y4-V48 HydrophobicContact CE1-CG1 3.77Å; Y4-L51 HydrophobicContact CD2-CB 3.49Å; Y4-L51 VanDerWaalsContact CD2-CB 3.49Å; Y4-L51 WeakPolarHBondContact CD2-O 3.28Å; Y4-L51 HydrophobicContact CE2-CB 3.28Å; Y4-L51 HydrophobicContact CE2-CD1 3.78Å; Y4-L51 HydrophobicContact CE2-CG 4.13Å; Y4-L51 HydrophobicContact CG-CB 4.46Å; Y4-T52 HydrophobicContact CD1-CG2 3.24Å; Y4-T52 HydrophobicContact CE1-CG2 3.92Å; Y4-T52 HydrophobicContact CG-CG2 3.62Å; Y4-L90 WeakPolarHBondContact OH-CD2 3.43Å; Y4-F106 AromaticContact CD1-CE2 3.64Å; Y4-F106 HydrophobicContact CD1-CE2 3.64Å; Y4-F106 AromaticContact CD1-CZ 3.66Å; Y4-F106 HydrophobicContact CD1-CZ 3.66Å; Y4-F106 AromaticContact CE1-CE2 3.57Å; Y4-F106 HydrophobicContact CE1-CE2 3.57Å; Y4-F106 AromaticContact CE1-CZ 3.45Å; Y4-F106 HydrophobicContact CE1-CZ 3.45Å; Y4-F106 VanDerWaalsContact CE1-CZ 3.45Å |
| 5 | H | 66.9 | Low | 71.5 | Confident | 122 Ų | 122 | 79.3 Ų | 79.3 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -56.1 | -36.6 | 169.3 | -169.6 | -2.1 | 0 | 0 | 0 | 112.7 | T3 L7 L8 K9 | T3-H5 PolarHBondContact O-N 3.01Å; T3-H5 VanDerWaalsContact O-N 3.07Å; H5-L7 VanDerWaalsContact C-N 3.32Å; H5-L8 PolarHBondContact O-N 3.06Å; H5-K9 PolarHBondContact O-N 3.49Å |
| 6 | R | 69.7 | Low | 72.2 | Confident | 184 Ų | 184 | 78.9 Ų | 78.9 | 69% | 0.694 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -67.2 | -33.1 | 173.2 | -68.7 | -176.2 | -176.6 | -176.2 | -0.3 | 112.1 | T3 Y4 K9 I10 | T3-R6 WeakPolarHBondContact O-CB 3.27Å; T3-R6 PolarHBondContact O-N 3.3Å; T3-R6 WeakPolarHBondContact OG1-CD 3.41Å; T3-R6 WeakPolarHBondContact OG1-CG 3.44Å; Y4-R6 PolarHBondContact O-N 2.84Å; R6-K9 WeakPolarHBondContact O-CB 3.42Å; R6-K9 PolarHBondContact O-N 3.25Å; R6-I10 PolarHBondContact O-N 3.06Å |
| 7 | L | 71.8 | Confident | 72.9 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 177.3 | -72.8 | 174.6 | 0 | 0 | 0 | 111.7 | L2 Y4 H5 K9 I10 S11 Y94 L97 F106 | L2-L7 HydrophobicContact CD2-CD1 4.41Å; Y4-L7 HydrophobicContact CD1-CD1 3.48Å; Y4-L7 VanDerWaalsContact CD1-CD1 3.48Å; Y4-L7 HydrophobicContact CE1-CD1 3.6Å; Y4-L7 HydrophobicContact CG-CD1 4.11Å; Y4-L7 WeakPolarHBondContact O-CA 3.48Å; Y4-L7 VanDerWaalsContact O-CB 3.31Å; Y4-L7 WeakPolarHBondContact O-CB 3.25Å; Y4-L7 PolarHBondContact O-N 2.95Å; H5-L7 VanDerWaalsContact C-N 3.32Å; L7-K9 PolarHBondContact O-N 3.12Å; L7-I10 HydrophobicContact CD2-CD1 3.92Å; L7-I10 HydrophobicContact CD2-CG1 4.47Å; L7-I10 VanDerWaalsContact O-CG1 3.24Å; L7-I10 WeakPolarHBondContact O-CG1 3.37Å; L7-I10 PolarHBondContact O-N 3.43Å; L7-I10 VanDerWaalsContact O-N 3.17Å; L7-S11 PolarHBondContact O-N 3.39Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L7-Y94 HydrophobicContact CD1-CD2 4.01Å; L7-Y94 HydrophobicContact CD2-CD2 3.42Å; L7-Y94 VanDerWaalsContact CD2-CD2 3.42Å; L7-Y94 HydrophobicContact CD2-CE2 3.93Å; L7-Y94 HydrophobicContact CD2-CG 4.33Å; L7-Y94 HydrophobicContact CG-CD2 4.01Å; L7-L97 HydrophobicContact CB-CD1 3.98Å; L7-L97 HydrophobicContact CD2-CB 3.91Å; L7-L97 HydrophobicContact CD2-CD1 3.74Å; L7-L97 HydrophobicContact CD2-CG 4.48Å; L7-L97 HydrophobicContact CG-CD1 4.29Å; L7-F106 HydrophobicContact CD1-CE2 4.33Å |
| 8 | L | 74.6 | Confident | 73.7 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 41% | 0.414 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.5 | -23.1 | 173.9 | -70 | 169 | 0 | 0 | 0 | 113.1 | Y4 H5 S11 | Y4-L8 PolarHBondContact O-N 3.38Å; Y4-L8 VanDerWaalsContact O-N 3.11Å; H5-L8 PolarHBondContact O-N 3.06Å; L8-S11 PolarHBondContact O-OG 3.37Å |
| 9 | K | 80.5 | Confident | 74.4 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 58% | 0.583 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -78.1 | -25.8 | 176.5 | -70.2 | -174.1 | -179.8 | -168.9 | 0 | 113.3 | H5 R6 L7 F102 | H5-K9 PolarHBondContact O-N 3.49Å; R6-K9 WeakPolarHBondContact O-CB 3.42Å; R6-K9 PolarHBondContact O-N 3.25Å; L7-K9 PolarHBondContact O-N 3.12Å; K9-F102 WeakPolarHBondContact O-CE1 3.3Å |
| 10 | I | 84 | Confident | 75.3 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -103.2 | -2.2 | -179 | 62.5 | 177.8 | 0 | 0 | 0 | 112.8 | R6 L7 L97 F102 | R6-I10 PolarHBondContact O-N 3.06Å; L7-I10 HydrophobicContact CD2-CD1 3.92Å; L7-I10 HydrophobicContact CD2-CG1 4.47Å; L7-I10 VanDerWaalsContact O-CG1 3.24Å; L7-I10 WeakPolarHBondContact O-CG1 3.37Å; L7-I10 PolarHBondContact O-N 3.43Å; L7-I10 VanDerWaalsContact O-N 3.17Å; I10-L97 HydrophobicContact CD1-CB 3.88Å; I10-L97 WeakPolarHBondContact CD1-O 3.28Å; I10-L97 HydrophobicContact CG1-CB 4.16Å; I10-F102 WeakPolarHBondContact O-CA 3.4Å; I10-F102 PolarHBondContact O-N 2.85Å |
| 11 | S | 86.4 | Confident | 76.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -73.9 | 158.9 | 171.6 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | L7 L8 K13 F104 | L7-S11 PolarHBondContact O-N 3.39Å; L7-S11 VanDerWaalsContact O-N 3.08Å; L8-S11 PolarHBondContact O-OG 3.37Å; S11-K13 PolarHBondContact O-N 3.09Å; S11-F104 WeakPolarHBondContact CA-O 3.38Å |
| 12 | R | 86.9 | Confident | 78.4 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | trans | -53.9 | 134.2 | 171.5 | -152.3 | 179 | 75.2 | -150.9 | 6.1 | 110.1 | D14 A15 F102 F104 T105 E108 D465 | R12-D14 VanDerWaalsContact CD-OD1 3.31Å; R12-D14 WeakPolarHBondContact CD-OD1 3.35Å; R12-D14 WeakPolarHBondContact CG-OD1 3.24Å; R12-D14 IonicContact CZ-OD1 2.63Å; R12-D14 IonicContact NE-OD1 2.8Å; R12-D14 PolarHBondContact NE-OD1 3.07Å; R12-D14 IonicContact NE-OD2 2.89Å; R12-D14 IonicContact NH2-OD1 2.88Å; R12-A15 VanDerWaalsContact NH2-CB 3.28Å; R12-F102 WeakPolarHBondContact CB-O 3.28Å; R12-F102 VanDerWaalsContact CG-O 3.25Å; R12-F102 WeakPolarHBondContact CG-O 3.19Å; R12-F104 PolarHBondContact N-O 3.33Å; R12-T105 HydrophobicContact CB-CG2 4.16Å; R12-E108 IonicContact CZ-OE1 2.73Å; R12-E108 IonicContact NH1-OE1 3.56Å; R12-E108 PolarHBondContact NH1-OE1 3.29Å; R12-E108 VanDerWaalsContact NH1-OE1 3.08Å; R12-E108 IonicContact NH1-OE2 3.31Å; R12-E108 PolarHBondContact NH1-OE2 2.97Å; R12-E108 IonicContact NH2-OE1 2.6Å; R12-D465 PolarHBondContact NH2-O 3.45Å | ||
| 13 | K | 79.2 | Confident | 80.5 | Confident | 163 Ų | 163 | 60.8 Ų | 60.8 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -102.9 | -18.7 | -168.3 | -65.4 | -176.9 | -177.5 | 172.8 | 0 | 114.6 | S11 A15 | S11-K13 PolarHBondContact O-N 3.09Å; K13-A15 VanDerWaalsContact C-N 3.26Å; K13-A15 PolarHBondContact O-N 2.83Å |
| 14 | D | 74.9 | Confident | 82.4 | Confident | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -74.2 | -16.4 | -178.6 | 66.1 | -19.9 | 0 | 0 | 0 | 113.1 | R12 | R12-D14 VanDerWaalsContact CD-OD1 3.31Å; R12-D14 WeakPolarHBondContact CD-OD1 3.35Å; R12-D14 WeakPolarHBondContact CG-OD1 3.24Å; R12-D14 IonicContact CZ-OD1 2.63Å; R12-D14 IonicContact NE-OD1 2.8Å; R12-D14 PolarHBondContact NE-OD1 3.07Å; R12-D14 IonicContact NE-OD2 2.89Å; R12-D14 IonicContact NH2-OD1 2.88Å |
| 15 | A | 79.8 | Confident | 83.9 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -124.7 | 155.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R12 K13 T105 D465 | R12-A15 VanDerWaalsContact NH2-CB 3.28Å; K13-A15 VanDerWaalsContact C-N 3.26Å; K13-A15 PolarHBondContact O-N 2.83Å; A15-T105 HydrophobicContact CB-CG2 3.9Å; A15-D465 HydrophobicContact CB-CB 3.93Å |
| 16 | S | 83.5 | Confident | 85.3 | Confident | 73 Ų | 73 | 52.9 Ų | 52.9 | 51% | 0.51 | 26% | 0.259 | S | S | . | . | trans | -59.8 | 154.5 | 170.8 | 66.6 | 0 | 0 | 0 | 0 | 111.2 | G18 Q466 | S16-G18 PolarHBondContact O-N 2.91Å; S16-Q466 PolarHBondContact O-NE2 3.11Å; S16-Q466 VanDerWaalsContact O-NE2 3.07Å; S16-Q466 PolarHBondContact OG-NE2 3.39Å | ||
| 17 | S | 83.8 | Confident | 86.5 | Confident | 61 Ų | 61 | 45.6 Ų | 45.6 | 43% | 0.427 | 24% | 0.238 | S | C | . | . | trans | -54 | -20.7 | -175.2 | 68.2 | 0 | 0 | 0 | 0 | 114.7 | L19 G107 | S17-L19 PolarHBondContact O-N 3.36Å; S17-L19 VanDerWaalsContact O-N 3.15Å; S17-G107 WeakPolarHBondContact O-CA 3.09Å; S17-G107 PolarHBondContact O-N 3.29Å | ||
| 18 | G | 87.3 | Confident | 87.5 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | 64.8 | 17.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S16 W20 L21 G107 | S16-G18 PolarHBondContact O-N 2.91Å; G18-W20 PolarHBondContact O-N 3.1Å; G18-L21 WeakPolarHBondContact O-CB 3.45Å; G18-L21 WeakPolarHBondContact O-CG 3.29Å; G18-L21 PolarHBondContact O-N 3.35Å; G18-G107 VanDerWaalsContact O-CA 3.27Å; G18-G107 WeakPolarHBondContact O-CA 3.32Å | ||
| 19 | L | 87.5 | Confident | 88.4 | Confident | 40 Ų | 40 | 41.9 Ų | 41.9 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -53.4 | -32.5 | -170.5 | -176.8 | 75.9 | 0 | 0 | 0 | 114 | S17 L21 G22 L49 F106 | S17-L19 PolarHBondContact O-N 3.36Å; S17-L19 VanDerWaalsContact O-N 3.15Å; L19-L21 PolarHBondContact O-N 3.46Å; L19-L21 VanDerWaalsContact O-N 3.13Å; L19-G22 PolarHBondContact O-N 2.87Å; L19-L49 HydrophobicContact CD2-CD1 4.26Å; L19-L49 HydrophobicContact CD2-CD2 3.18Å; L19-L49 HydrophobicContact CD2-CG 3.69Å; L19-L49 HydrophobicContact CG-CD2 4.47Å; L19-F106 HydrophobicContact CD1-CD1 3.53Å; L19-F106 HydrophobicContact CD1-CE1 3.42Å; L19-F106 VanDerWaalsContact CD1-CE1 3.42Å |
| 20 | W | 91.4 | Very high | 88.9 | Confident | 105 Ų | 105 | 40.2 Ų | 40.2 | 40% | 0.398 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -57 | -23.5 | 176 | 67 | -94.2 | 0 | 0 | 0 | 113.4 | G18 G22 L23 I24 I460 I464 V471 I475 | G18-W20 PolarHBondContact O-N 3.1Å; W20-G22 PolarHBondContact O-N 3.33Å; W20-L23 WeakPolarHBondContact O-CB 3.28Å; W20-L23 PolarHBondContact O-N 2.9Å; W20-I24 HydrophobicContact CZ3-CD1 4.03Å; W20-I24 HydrophobicContact CZ3-CG1 4.41Å; W20-I460 HydrophobicContact CH2-CG2 4.36Å; W20-I464 HydrophobicContact CH2-CD1 4.27Å; W20-I464 HydrophobicContact CZ2-CD1 4.19Å; W20-V471 HydrophobicContact CH2-CG1 3.82Å; W20-V471 HydrophobicContact CZ3-CG1 4.43Å; W20-I475 HydrophobicContact CZ3-CD1 4.13Å |
| 21 | L | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.9 | 174.2 | -65.3 | 178.3 | 0 | 0 | 0 | 112.7 | G18 L19 L23 I24 E108 L111 Q466 V471 | G18-L21 WeakPolarHBondContact O-CB 3.45Å; G18-L21 WeakPolarHBondContact O-CG 3.29Å; G18-L21 PolarHBondContact O-N 3.35Å; L19-L21 PolarHBondContact O-N 3.46Å; L19-L21 VanDerWaalsContact O-N 3.13Å; L21-L23 PolarHBondContact O-N 3.44Å; L21-L23 VanDerWaalsContact O-N 3.17Å; L21-I24 HydrophobicContact CB-CD1 4.46Å; L21-I24 HydrophobicContact CD2-CD1 3.67Å; L21-I24 WeakPolarHBondContact O-CB 3.39Å; L21-I24 WeakPolarHBondContact O-CG1 3.02Å; L21-I24 PolarHBondContact O-N 2.79Å; L21-E108 HydrophobicContact CD1-CG 3.91Å; L21-L111 HydrophobicContact CB-CB 4.25Å; L21-L111 HydrophobicContact CB-CD2 4.5Å; L21-Q466 HydrophobicContact CD1-CB 4.18Å; L21-Q466 HydrophobicContact CD1-CG 3.97Å; L21-V471 HydrophobicContact CD1-CG2 4.28Å; L21-V471 HydrophobicContact CD2-CB 4.23Å; L21-V471 HydrophobicContact CD2-CG1 3.55Å; L21-V471 HydrophobicContact CD2-CG2 3.56Å |
| 22 | G | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -64.5 | -13.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L19 W20 P26 V45 H114 | L19-G22 PolarHBondContact O-N 2.87Å; W20-G22 PolarHBondContact O-N 3.33Å; G22-P26 WeakPolarHBondContact O-CD 3.42Å; G22-P26 WeakPolarHBondContact O-CG 3.36Å; G22-V45 WeakPolarHBondContact O-CG2 3.25Å; G22-H114 PolarHBondContact O-CE1 3.43Å; G22-H114 PolarHBondContact O-ND1 3.08Å |
| 23 | L | 95.2 | Very high | 88.9 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -87.6 | -14.1 | 177.6 | -61.1 | 175.2 | 0 | 0 | 0 | 113.2 | W20 L21 P26 A27 F42 V45 | W20-L23 WeakPolarHBondContact O-CB 3.28Å; W20-L23 PolarHBondContact O-N 2.9Å; L21-L23 PolarHBondContact O-N 3.44Å; L21-L23 VanDerWaalsContact O-N 3.17Å; L23-P26 WeakPolarHBondContact O-CD 3.22Å; L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.88Å; L23-A27 VanDerWaalsContact O-N 3.08Å; L23-F42 HydrophobicContact CD2-CD2 4.01Å; L23-F42 HydrophobicContact CD2-CE2 4.01Å; L23-V45 HydrophobicContact CD2-CG1 4.23Å |
| 24 | I | 96 | Very high | 89.2 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.3 | -51.8 | -176.5 | -64.6 | 176.5 | 0 | 0 | 0 | 110.8 | W20 L21 A27 L28 L111 V471 L474 I475 | W20-I24 HydrophobicContact CZ3-CD1 4.03Å; W20-I24 HydrophobicContact CZ3-CG1 4.41Å; L21-I24 HydrophobicContact CB-CD1 4.46Å; L21-I24 HydrophobicContact CD2-CD1 3.67Å; L21-I24 WeakPolarHBondContact O-CB 3.39Å; L21-I24 WeakPolarHBondContact O-CG1 3.02Å; L21-I24 PolarHBondContact O-N 2.79Å; I24-A27 PolarHBondContact O-N 3.33Å; I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.36Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.33Å; I24-L28 PolarHBondContact O-N 3.39Å; I24-L111 HydrophobicContact CB-CD1 4.19Å; I24-L111 HydrophobicContact CG2-CD1 4.38Å; I24-V471 HydrophobicContact CD1-CG1 3.91Å; I24-L474 HydrophobicContact CG2-CB 3.88Å; I24-L474 HydrophobicContact CG2-CD1 4.42Å; I24-I475 HydrophobicContact CD1-CD1 3.89Å; I24-I475 HydrophobicContact CD1-CG1 4.29Å; I24-I475 HydrophobicContact CG1-CD1 3.9Å |
| 25 | V | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65 | -47.6 | -178.3 | 168.9 | 0 | 0 | 0 | 0 | 112.8 | A27 L28 L29 F41 L111 H114 L115 V118 W363 | V25-A27 VanDerWaalsContact C-N 3.27Å; V25-A27 PolarHBondContact O-N 3.42Å; V25-L28 PolarHBondContact O-N 3.45Å; V25-L29 HydrophobicContact CG1-CD1 3.79Å; V25-L29 HydrophobicContact CG1-CG 4.3Å; V25-L29 WeakPolarHBondContact O-CB 3.23Å; V25-L29 WeakPolarHBondContact O-CG 3.34Å; V25-L29 PolarHBondContact O-N 3.03Å; V25-F41 HydrophobicContact CG1-CD2 4.39Å; V25-F41 HydrophobicContact CG1-CG 4.36Å; V25-L111 HydrophobicContact CG2-CD1 4.03Å; V25-H114 HydrophobicContact CB-CB 3.67Å; V25-H114 HydrophobicContact CG1-CB 3.83Å; V25-H114 HydrophobicContact CG2-CB 3.63Å; V25-L115 HydrophobicContact CG2-CD2 3.76Å; V25-L115 HydrophobicContact CG2-CG 4.02Å; V25-V118 HydrophobicContact CG1-CG2 3.66Å; V25-W363 HydrophobicContact CG1-CH2 4.16Å; V25-W363 HydrophobicContact CG2-CH2 4.45Å |
| 26 | P | 94.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -51.3 | -44.9 | 170.7 | -27.1 | 31.4 | 0 | 0 | 0 | 113.3 | G22 L23 L29 L30 A38 F41 F42 | G22-P26 WeakPolarHBondContact O-CD 3.42Å; G22-P26 WeakPolarHBondContact O-CG 3.36Å; L23-P26 WeakPolarHBondContact O-CD 3.22Å; P26-L29 PolarHBondContact O-N 2.96Å; P26-L30 WeakPolarHBondContact O-CG 3.31Å; P26-L30 PolarHBondContact O-N 3.04Å; P26-A38 WeakPolarHBondContact O-CB 3.4Å; P26-F41 HydrophobicContact CG-CB 3.79Å; P26-F42 HydrophobicContact CB-CB 4.23Å; P26-F42 HydrophobicContact CG-CB 4.47Å |
| 27 | A | 95 | Very high | 90.2 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 26% | 0.256 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L23 I24 V25 L29 L30 K31 L478 | L23-A27 WeakPolarHBondContact O-CB 3.23Å; L23-A27 PolarHBondContact O-N 2.88Å; L23-A27 VanDerWaalsContact O-N 3.08Å; I24-A27 PolarHBondContact O-N 3.33Å; V25-A27 VanDerWaalsContact C-N 3.27Å; V25-A27 PolarHBondContact O-N 3.42Å; A27-L29 VanDerWaalsContact C-N 3.33Å; A27-L29 PolarHBondContact O-N 3.49Å; A27-L30 PolarHBondContact O-N 3.29Å; A27-K31 PolarHBondContact O-N 2.91Å; A27-L478 HydrophobicContact CB-CD1 3.68Å; A27-L478 HydrophobicContact CB-CD2 3.81Å; A27-L478 HydrophobicContact CB-CG 4.42Å |
| 28 | L | 94 | Very high | 90.6 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.6 | -71.1 | 168.3 | 0 | 0 | 0 | 112.6 | I24 V25 K31 T32 W363 L474 M477 L478 | I24-L28 HydrophobicContact CG2-CD1 3.76Å; I24-L28 HydrophobicContact CG2-CG 4.36Å; I24-L28 VanDerWaalsContact O-CG 3.29Å; I24-L28 WeakPolarHBondContact O-CG 3.33Å; I24-L28 PolarHBondContact O-N 3.39Å; V25-L28 PolarHBondContact O-N 3.45Å; L28-K31 PolarHBondContact O-N 2.94Å; L28-T32 PolarHBondContact O-N 3.41Å; L28-T32 VanDerWaalsContact O-N 3.13Å; L28-T32 PolarHBondContact O-OG1 3.06Å; L28-W363 HydrophobicContact CB-CH2 3.76Å; L28-W363 HydrophobicContact CB-CZ2 3.29Å; L28-W363 HydrophobicContact CD1-CH2 3.91Å; L28-W363 HydrophobicContact CD1-CZ2 4.2Å; L28-W363 HydrophobicContact CD1-CZ3 4.1Å; L28-W363 HydrophobicContact CG-CZ2 4.36Å; L28-L474 HydrophobicContact CD1-CD2 4.38Å; L28-M477 HydrophobicContact CD1-CE 3.2Å; L28-M477 HydrophobicContact CD2-CE 3.3Å; L28-M477 HydrophobicContact CD2-CG 4.21Å; L28-M477 HydrophobicContact CG-CE 3.79Å; L28-L478 HydrophobicContact CD2-CB 3.63Å; L28-L478 HydrophobicContact CD2-CD1 3.87Å; L28-L478 HydrophobicContact CD2-CG 4.36Å; L28-L478 HydrophobicContact CG-CB 4.37Å; L28-L478 HydrophobicContact CG-CD1 4.22Å |
| 29 | L | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70 | -39.4 | 175.9 | -72.4 | 169.4 | 0 | 0 | 0 | 111.8 | V25 P26 A27 K31 T32 D33 N34 L37 A38 F41 V118 W363 | V25-L29 HydrophobicContact CG1-CD1 3.79Å; V25-L29 HydrophobicContact CG1-CG 4.3Å; V25-L29 WeakPolarHBondContact O-CB 3.23Å; V25-L29 WeakPolarHBondContact O-CG 3.34Å; V25-L29 PolarHBondContact O-N 3.03Å; P26-L29 PolarHBondContact O-N 2.96Å; A27-L29 VanDerWaalsContact C-N 3.33Å; A27-L29 PolarHBondContact O-N 3.49Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.91Å; L29-T32 WeakPolarHBondContact CA-OG1 3.39Å; L29-T32 CarbonylContact O-C 2.92Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.97Å; L29-D33 PolarHBondContact O-N 3.26Å; L29-N34 HydrophobicContact CB-CB 4.2Å; L29-N34 HydrophobicContact CD2-CB 3.87Å; L29-N34 WeakPolarHBondContact O-CA 3.39Å; L29-N34 PolarHBondContact O-N 3.18Å; L29-L37 HydrophobicContact CD1-CB 3.97Å; L29-L37 HydrophobicContact CD2-CB 4.41Å; L29-A38 HydrophobicContact CB-CB 3.73Å; L29-F41 HydrophobicContact CD1-CD2 3.31Å; L29-F41 HydrophobicContact CD1-CE2 3.74Å; L29-F41 HydrophobicContact CD1-CG 4.27Å; L29-V118 HydrophobicContact CD1-CG2 4.05Å; L29-V118 HydrophobicContact CD2-CG2 4.43Å; L29-W363 HydrophobicContact CD2-CZ2 3.9Å; L29-W363 HydrophobicContact CG-CH2 4.43Å; L29-W363 HydrophobicContact CG-CZ2 3.95Å |
| 30 | L | 91.3 | Very high | 90.7 | Very high | 99 Ų | 99 | 39 Ų | 39 | 52% | 0.518 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.8 | -43 | 172.4 | -75.3 | 173.7 | 0 | 0 | 0 | 111.3 | P26 A27 T32 D33 K35 A38 | P26-L30 WeakPolarHBondContact O-CG 3.31Å; P26-L30 PolarHBondContact O-N 3.04Å; A27-L30 PolarHBondContact O-N 3.29Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 3.42Å; L30-D33 PolarHBondContact O-N 3.48Å; L30-D33 VanDerWaalsContact O-N 3.17Å; L30-K35 HydrophobicContact CD2-CG 4.45Å; L30-A38 HydrophobicContact CB-CB 4.44Å; L30-A38 HydrophobicContact CD2-CB 3.62Å; L30-A38 HydrophobicContact CG-CB 3.59Å |
| 31 | K | 87.8 | Confident | 90.8 | Very high | 52 Ų | 52 | 34 Ų | 34 | 23% | 0.226 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -65.3 | -30 | 179 | 179.9 | 179.1 | 172.7 | -175.9 | 0 | 113.5 | A27 L28 L29 D33 M477 L478 F480 | A27-K31 PolarHBondContact O-N 2.91Å; L28-K31 PolarHBondContact O-N 2.94Å; L29-K31 VanDerWaalsContact C-N 3.27Å; L29-K31 PolarHBondContact O-N 2.91Å; K31-D33 VanDerWaalsContact C-N 3.27Å; K31-M477 PolarHBondContact NZ-O 3.32Å; K31-L478 HydrophobicContact CD-CD1 4.34Å; K31-L478 VanDerWaalsContact CD-O 3.32Å; K31-L478 WeakPolarHBondContact CD-O 3.19Å; K31-L478 PolarHBondContact NZ-O 2.91Å; K31-F480 WeakPolarHBondContact CE-O 3.3Å; K31-F480 PolarHBondContact NZ-O 2.92Å |
| 32 | T | 85.7 | Confident | 90.7 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 19.8 | 176.6 | 49.1 | 0 | 0 | 0 | 0 | 112.8 | L28 L29 L30 N34 | L28-T32 PolarHBondContact O-N 3.41Å; L28-T32 VanDerWaalsContact O-N 3.13Å; L28-T32 PolarHBondContact O-OG1 3.06Å; L29-T32 WeakPolarHBondContact CA-OG1 3.39Å; L29-T32 CarbonylContact O-C 2.92Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.97Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 3.42Å; T32-N34 PolarHBondContact O-N 2.96Å; T32-N34 PolarHBondContact O-ND2 3.3Å; T32-N34 PolarHBondContact OG1-ND2 3.39Å; T32-N34 VanDerWaalsContact OG1-ND2 3.1Å |
| 33 | D | 84.2 | Confident | 90.4 | Very high | 96 Ų | 96 | 38.7 Ų | 38.7 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 14.6 | -178 | -72.4 | -46.3 | 0 | 0 | 0 | 115.4 | L29 L30 K31 K35 | L29-D33 PolarHBondContact O-N 3.26Å; L30-D33 PolarHBondContact O-N 3.48Å; L30-D33 VanDerWaalsContact O-N 3.17Å; K31-D33 VanDerWaalsContact C-N 3.27Å; D33-K35 PolarHBondContact O-N 2.98Å |
| 34 | N | 86.2 | Confident | 90.1 | Very high | 43 Ų | 43 | 34.8 Ų | 34.8 | 23% | 0.23 | 18% | 0.179 | C | C | . | . | trans | -81.9 | 53.1 | 174.2 | -69.7 | -58.1 | 0 | 0 | 0 | 110.9 | L29 T32 A36 L37 A38 | L29-N34 HydrophobicContact CB-CB 4.2Å; L29-N34 HydrophobicContact CD2-CB 3.87Å; L29-N34 WeakPolarHBondContact O-CA 3.39Å; L29-N34 PolarHBondContact O-N 3.18Å; T32-N34 PolarHBondContact O-N 2.96Å; T32-N34 PolarHBondContact O-ND2 3.3Å; T32-N34 PolarHBondContact OG1-ND2 3.39Å; T32-N34 VanDerWaalsContact OG1-ND2 3.1Å; N34-A36 VanDerWaalsContact C-N 3.32Å; N34-A36 PolarHBondContact O-N 2.96Å; N34-L37 HydrophobicContact CB-CB 4.44Å; N34-L37 HydrophobicContact CB-CD1 4.44Å; N34-L37 PolarHBondContact O-N 3.34Å; N34-A38 PolarHBondContact O-N 3.18Å | ||
| 35 | K | 87.2 | Confident | 89.7 | Confident | 137 Ų | 137 | 34.9 Ų | 34.9 | 60% | 0.596 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -57.1 | -39.8 | -169.8 | -64.4 | -178.5 | -175.7 | 175.6 | 0 | 113.6 | L30 D33 A38 Y39 | L30-K35 HydrophobicContact CD2-CG 4.45Å; D33-K35 PolarHBondContact O-N 2.98Å; K35-A38 WeakPolarHBondContact O-CB 3.44Å; K35-A38 PolarHBondContact O-N 3Å; K35-Y39 PolarHBondContact O-N 3.32Å |
| 36 | A | 85.3 | Confident | 89.3 | Confident | 39 Ų | 39 | 37 Ų | 37 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -53 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N34 A38 Y39 E40 F73 | N34-A36 VanDerWaalsContact C-N 3.32Å; N34-A36 PolarHBondContact O-N 2.96Å; A36-A38 VanDerWaalsContact C-N 3.33Å; A36-A38 PolarHBondContact O-N 3.06Å; A36-Y39 PolarHBondContact O-N 2.99Å; A36-E40 WeakPolarHBondContact O-CG 3.46Å; A36-E40 PolarHBondContact O-N 3.27Å; A36-F73 HydrophobicContact CB-CE1 4.19Å |
| 37 | L | 87.3 | Confident | 88.7 | Confident | 30 Ų | 30 | 37 Ų | 37 | 16% | 0.157 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 177.5 | -71.1 | 172.6 | 0 | 0 | 0 | 111.3 | L29 N34 Y39 E40 F41 F121 | L29-L37 HydrophobicContact CD1-CB 3.97Å; L29-L37 HydrophobicContact CD2-CB 4.41Å; N34-L37 HydrophobicContact CB-CB 4.44Å; N34-L37 HydrophobicContact CB-CD1 4.44Å; N34-L37 PolarHBondContact O-N 3.34Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.22Å; L37-E40 WeakPolarHBondContact O-CB 3.32Å; L37-E40 PolarHBondContact O-N 3.07Å; L37-E40 VanDerWaalsContact O-N 3.15Å; L37-F41 HydrophobicContact CB-CD2 4.5Å; L37-F41 HydrophobicContact CB-CE2 4.5Å; L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 PolarHBondContact O-N 3.23Å; L37-F121 HydrophobicContact CD2-CD2 4.18Å |
| 38 | A | 90.9 | Very high | 88 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -53.6 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P26 L29 L30 N34 K35 A36 F41 F42 | P26-A38 WeakPolarHBondContact O-CB 3.4Å; L29-A38 HydrophobicContact CB-CB 3.73Å; L30-A38 HydrophobicContact CB-CB 4.44Å; L30-A38 HydrophobicContact CD2-CB 3.62Å; L30-A38 HydrophobicContact CG-CB 3.59Å; N34-A38 PolarHBondContact O-N 3.18Å; K35-A38 WeakPolarHBondContact O-CB 3.44Å; K35-A38 PolarHBondContact O-N 3Å; A36-A38 VanDerWaalsContact C-N 3.33Å; A36-A38 PolarHBondContact O-N 3.06Å; A38-F41 PolarHBondContact O-N 2.87Å; A38-F42 VanDerWaalsContact O-CB 3.3Å; A38-F42 WeakPolarHBondContact O-CB 3.05Å; A38-F42 PolarHBondContact O-N 3.3Å |
| 39 | Y | 89.2 | Confident | 87.4 | Confident | 64 Ų | 64 | 39 Ų | 39 | 25% | 0.251 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -64.1 | -42.5 | 177.1 | -176.5 | -95.8 | 0 | 0 | 0 | 112 | K35 A36 L37 F41 F42 L43 H72 F73 | K35-Y39 PolarHBondContact O-N 3.32Å; A36-Y39 PolarHBondContact O-N 2.99Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.22Å; Y39-F41 PolarHBondContact O-N 2.68Å; Y39-F42 PolarHBondContact O-N 3.42Å; Y39-L43 HydrophobicContact CE1-CD2 4.2Å; Y39-L43 WeakPolarHBondContact O-CB 3.02Å; Y39-L43 PolarHBondContact O-N 2.92Å; Y39-H72 HydrophobicContact CD1-CB 4.4Å; Y39-H72 AromaticContact CD1-CD2 3.55Å; Y39-H72 HydrophobicContact CE1-CB 3.83Å; Y39-H72 AromaticContact CE1-CD2 3.86Å; Y39-H72 AromaticContact CE1-CG 3.86Å; Y39-H72 AromaticContact CG-CD2 3.95Å; Y39-F73 HydrophobicContact CD1-CE2 4.09Å; Y39-F73 HydrophobicContact CD1-CZ 4.13Å; Y39-F73 HydrophobicContact CE1-CE2 4.46Å |
| 40 | E | 88.9 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -47.5 | 176.4 | -62.8 | 175.2 | -159.6 | 0 | 0 | 111.4 | A36 L37 L43 S44 F73 R81 T85 | A36-E40 WeakPolarHBondContact O-CG 3.46Å; A36-E40 PolarHBondContact O-N 3.27Å; L37-E40 WeakPolarHBondContact O-CB 3.32Å; L37-E40 PolarHBondContact O-N 3.07Å; L37-E40 VanDerWaalsContact O-N 3.15Å; E40-L43 PolarHBondContact O-N 2.84Å; E40-S44 PolarHBondContact O-N 2.8Å; E40-F73 HydrophobicContact CG-CE2 3.98Å; E40-F73 HydrophobicContact CG-CZ 3.67Å; E40-R81 IonicContact OE1-CZ 2.74Å; E40-R81 VanDerWaalsContact OE1-CZ 3.25Å; E40-R81 IonicContact OE1-NE 2.75Å; E40-R81 PolarHBondContact OE1-NE 3.43Å; E40-R81 IonicContact OE1-NH2 2.78Å; E40-R81 PolarHBondContact OE1-NH2 2.86Å; E40-R81 IonicContact OE2-NE 3.44Å; E40-T85 HydrophobicContact CB-CG2 4.24Å; E40-T85 PolarHBondContact OE2-OG1 2.96Å; E40-T85 VanDerWaalsContact OE2-OG1 3.08Å |
| 41 | F | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -69.5 | -38.7 | 178.1 | -75.2 | -70.5 | 0 | 0 | 0 | 112.4 | V25 P26 L29 L37 A38 Y39 L43 S44 V45 T85 V89 H114 A117 V118 F121 | V25-F41 HydrophobicContact CG1-CD2 4.39Å; V25-F41 HydrophobicContact CG1-CG 4.36Å; P26-F41 HydrophobicContact CG-CB 3.79Å; L29-F41 HydrophobicContact CD1-CD2 3.31Å; L29-F41 HydrophobicContact CD1-CE2 3.74Å; L29-F41 HydrophobicContact CD1-CG 4.27Å; L37-F41 HydrophobicContact CB-CD2 4.5Å; L37-F41 HydrophobicContact CB-CE2 4.5Å; L37-F41 WeakPolarHBondContact O-CD2 3.4Å; L37-F41 PolarHBondContact O-N 3.23Å; A38-F41 PolarHBondContact O-N 2.87Å; Y39-F41 PolarHBondContact O-N 2.68Å; F41-L43 VanDerWaalsContact C-N 3.33Å; F41-L43 PolarHBondContact O-N 3.46Å; F41-S44 WeakPolarHBondContact O-CB 3.07Å; F41-S44 PolarHBondContact O-N 2.94Å; F41-S44 PolarHBondContact O-OG 3.27Å; F41-V45 PolarHBondContact O-N 2.89Å; F41-V45 VanDerWaalsContact O-N 3.15Å; F41-T85 HydrophobicContact CD1-CG2 3.8Å; F41-T85 HydrophobicContact CD2-CG2 4.48Å; F41-T85 HydrophobicContact CE1-CG2 3.56Å; F41-T85 HydrophobicContact CE2-CG2 4.27Å; F41-T85 HydrophobicContact CG-CG2 4.27Å; F41-T85 HydrophobicContact CZ-CG2 3.82Å; F41-V89 HydrophobicContact CD1-CG2 4.3Å; F41-V89 HydrophobicContact CE1-CG2 4.11Å; F41-H114 HydrophobicContact CD1-CB 4.17Å; F41-H114 AromaticContact CD1-CD2 3.35Å; F41-H114 WeakPolarHBondContact CD1-CD2 3.46Å; F41-H114 AromaticContact CD1-CG 3.81Å; F41-H114 AromaticContact CD1-NE2 3.8Å; F41-H114 HydrophobicContact CE1-CB 4.27Å; F41-H114 AromaticContact CE1-CD2 3.88Å; F41-A117 HydrophobicContact CE1-CB 3.56Å; F41-A117 HydrophobicContact CZ-CB 3.54Å; F41-V118 HydrophobicContact CD2-CG2 4.42Å; F41-V118 HydrophobicContact CE2-CG2 3.63Å; F41-V118 HydrophobicContact CZ-CG2 3.72Å; F41-F121 HydrophobicContact CE2-CD2 4.48Å; F41-F121 HydrophobicContact CE2-CE2 4.42Å; F41-F121 HydrophobicContact CZ-CD2 4.23Å; F41-F121 AromaticContact CZ-CE2 3.98Å; F41-F121 HydrophobicContact CZ-CE2 3.98Å |
| 42 | F | 92 | Very high | 85.1 | Confident | 95 Ų | 95 | 39.7 Ų | 39.7 | 42% | 0.417 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.3 | -44 | 174.2 | -178.2 | -107.2 | 0 | 0 | 0 | 111.7 | L23 P26 A38 Y39 S44 V45 I46 | L23-F42 HydrophobicContact CD2-CD2 4.01Å; L23-F42 HydrophobicContact CD2-CE2 4.01Å; P26-F42 HydrophobicContact CB-CB 4.23Å; P26-F42 HydrophobicContact CG-CB 4.47Å; A38-F42 VanDerWaalsContact O-CB 3.3Å; A38-F42 WeakPolarHBondContact O-CB 3.05Å; A38-F42 PolarHBondContact O-N 3.3Å; Y39-F42 PolarHBondContact O-N 3.42Å; F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 PolarHBondContact O-N 2.86Å; F42-V45 WeakPolarHBondContact O-CB 3.1Å; F42-V45 PolarHBondContact O-N 3.19Å; F42-V45 VanDerWaalsContact O-N 3.15Å; F42-I46 HydrophobicContact CD1-CD1 3.78Å; F42-I46 HydrophobicContact CE1-CD1 3.28Å; F42-I46 HydrophobicContact CE1-CG1 4.25Å; F42-I46 HydrophobicContact CZ-CD1 3.74Å; F42-I46 HydrophobicContact CZ-CG1 4.39Å; F42-I46 PolarHBondContact O-N 3.4Å; F42-I46 VanDerWaalsContact O-N 3.11Å |
| 43 | L | 88.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.016 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -33.6 | 176.3 | -173 | 58 | 0 | 0 | 0 | 112 | Y39 E40 F41 V45 I46 T47 L68 N69 I86 | Y39-L43 HydrophobicContact CE1-CD2 4.2Å; Y39-L43 WeakPolarHBondContact O-CB 3.02Å; Y39-L43 PolarHBondContact O-N 2.92Å; E40-L43 PolarHBondContact O-N 2.84Å; F41-L43 VanDerWaalsContact C-N 3.33Å; F41-L43 PolarHBondContact O-N 3.46Å; L43-V45 VanDerWaalsContact C-N 3.34Å; L43-V45 PolarHBondContact O-N 3.42Å; L43-I46 PolarHBondContact O-N 2.82Å; L43-T47 WeakPolarHBondContact O-CB 3.12Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.3Å; L43-L68 HydrophobicContact CD1-CB 4.32Å; L43-L68 HydrophobicContact CD1-CD1 3.8Å; L43-L68 HydrophobicContact CD2-CB 4.23Å; L43-N69 WeakPolarHBondContact CD2-ND2 3.38Å; L43-N69 VanDerWaalsContact CD2-OD1 3.31Å; L43-N69 WeakPolarHBondContact CD2-OD1 3.46Å; L43-I86 HydrophobicContact CD2-CD1 4.03Å; L43-I86 HydrophobicContact CG-CD1 4.02Å |
| 44 | S | 88.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.2 | -40.2 | 172.5 | 82.3 | 0 | 0 | 0 | 0 | 112.2 | E40 F41 F42 T47 V48 H114 | E40-S44 PolarHBondContact O-N 2.8Å; F41-S44 WeakPolarHBondContact O-CB 3.07Å; F41-S44 PolarHBondContact O-N 2.94Å; F41-S44 PolarHBondContact O-OG 3.27Å; F42-S44 VanDerWaalsContact C-N 3.29Å; F42-S44 PolarHBondContact O-N 2.86Å; S44-T47 PolarHBondContact O-N 3.03Å; S44-V48 WeakPolarHBondContact O-CG2 3.49Å; S44-V48 PolarHBondContact O-N 2.97Å; S44-H114 PolarHBondContact OG-NE2 2.92Å |
| 45 | V | 88.6 | Confident | 82.1 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.8 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | G22 L23 F41 F42 L43 T47 V48 L49 H114 | G22-V45 WeakPolarHBondContact O-CG2 3.25Å; L23-V45 HydrophobicContact CD2-CG1 4.23Å; F41-V45 PolarHBondContact O-N 2.89Å; F41-V45 VanDerWaalsContact O-N 3.15Å; F42-V45 WeakPolarHBondContact O-CB 3.1Å; F42-V45 PolarHBondContact O-N 3.19Å; F42-V45 VanDerWaalsContact O-N 3.15Å; L43-V45 VanDerWaalsContact C-N 3.34Å; L43-V45 PolarHBondContact O-N 3.42Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.03Å; V45-V48 PolarHBondContact O-N 3.09Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.9Å; V45-H114 VanDerWaalsContact CG2-CE1 3.48Å; V45-H114 WeakPolarHBondContact CG2-CE1 3.18Å |
| 46 | I | 86 | Confident | 81 | Confident | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -46 | 177.6 | -70.7 | 177.6 | 0 | 0 | 0 | 110.5 | F42 L43 V48 L49 F50 | F42-I46 HydrophobicContact CD1-CD1 3.78Å; F42-I46 HydrophobicContact CE1-CD1 3.28Å; F42-I46 HydrophobicContact CE1-CG1 4.25Å; F42-I46 HydrophobicContact CZ-CD1 3.74Å; F42-I46 HydrophobicContact CZ-CG1 4.39Å; F42-I46 PolarHBondContact O-N 3.4Å; F42-I46 VanDerWaalsContact O-N 3.11Å; L43-I46 PolarHBondContact O-N 2.82Å; I46-V48 VanDerWaalsContact C-N 3.29Å; I46-V48 PolarHBondContact O-N 3.48Å; I46-L49 WeakPolarHBondContact O-CB 3.4Å; I46-L49 PolarHBondContact O-N 2.88Å; I46-F50 HydrophobicContact CG2-CD2 3.54Å; I46-F50 HydrophobicContact CG2-CE2 3.44Å; I46-F50 VanDerWaalsContact CG2-CE2 3.44Å; I46-F50 VanDerWaalsContact O-CD2 3.23Å; I46-F50 WeakPolarHBondContact O-CD2 3.49Å; I46-F50 PolarHBondContact O-N 2.84Å |
| 47 | T | 83.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 110.6 | L43 S44 V45 F50 L51 V61 C65 I86 L90 | L43-T47 WeakPolarHBondContact O-CB 3.12Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.3Å; S44-T47 PolarHBondContact O-N 3.03Å; V45-T47 VanDerWaalsContact C-N 3.32Å; V45-T47 PolarHBondContact O-N 2.03Å; T47-F50 PolarHBondContact O-N 3.15Å; T47-L51 HydrophobicContact CG2-CD1 4.04Å; T47-L51 VanDerWaalsContact O-CG 3.24Å; T47-L51 WeakPolarHBondContact O-CG 3.33Å; T47-L51 PolarHBondContact O-N 3.36Å; T47-V61 HydrophobicContact CG2-CG1 4.42Å; T47-C65 PolarHBondContact OG1-SG 3.38Å; T47-I86 HydrophobicContact CG2-CG2 4.1Å; T47-L90 HydrophobicContact CG2-CD1 4.16Å |
| 48 | V | 80.8 | Confident | 78.9 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 178.6 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | Y4 S44 V45 I46 F50 L51 T52 L90 F106 M110 | Y4-V48 HydrophobicContact CE1-CG1 3.77Å; S44-V48 WeakPolarHBondContact O-CG2 3.49Å; S44-V48 PolarHBondContact O-N 2.97Å; V45-V48 PolarHBondContact O-N 3.09Å; I46-V48 VanDerWaalsContact C-N 3.29Å; I46-V48 PolarHBondContact O-N 3.48Å; V48-F50 VanDerWaalsContact C-N 3.28Å; V48-F50 PolarHBondContact O-N 2.93Å; V48-L51 PolarHBondContact O-N 3.45Å; V48-L51 VanDerWaalsContact O-N 3.12Å; V48-T52 HydrophobicContact CG1-CG2 4.22Å; V48-T52 WeakPolarHBondContact O-CG2 3.37Å; V48-T52 PolarHBondContact O-N 3.1Å; V48-T52 PolarHBondContact O-OG1 3.25Å; V48-L90 HydrophobicContact CB-CD2 4.4Å; V48-L90 HydrophobicContact CG2-CD2 3.38Å; V48-L90 HydrophobicContact CG2-CG 4.39Å; V48-F106 HydrophobicContact CG1-CE1 3.54Å; V48-F106 HydrophobicContact CG1-CE2 4.46Å; V48-F106 HydrophobicContact CG1-CZ 3.25Å; V48-M110 HydrophobicContact CB-CE 3.54Å; V48-M110 HydrophobicContact CG1-CE 3.37Å; V48-M110 HydrophobicContact CG2-CE 3.27Å; V48-M110 HydrophobicContact CG2-SD 4.09Å |
| 49 | L | 80.4 | Confident | 77.7 | Confident | 75 Ų | 75 | 59.7 Ų | 59.7 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -55.2 | -42.5 | 177.6 | -99.1 | 171.3 | 0 | 0 | 0 | 112.8 | L19 V45 I46 T52 K53 | L19-L49 HydrophobicContact CD2-CD1 4.26Å; L19-L49 HydrophobicContact CD2-CD2 3.18Å; L19-L49 HydrophobicContact CD2-CG 3.69Å; L19-L49 HydrophobicContact CG-CD2 4.47Å; V45-L49 HydrophobicContact CG1-CD1 4.22Å; V45-L49 WeakPolarHBondContact O-CB 3.46Å; V45-L49 PolarHBondContact O-N 2.9Å; I46-L49 WeakPolarHBondContact O-CB 3.4Å; I46-L49 PolarHBondContact O-N 2.88Å; L49-T52 PolarHBondContact O-OG1 3.06Å; L49-K53 PolarHBondContact O-N 2.81Å |
| 50 | F | 77.9 | Confident | 76.7 | Confident | 108 Ų | 108 | 58.5 Ų | 58.5 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.1 | -37.4 | 177.4 | -84.5 | -65.9 | 0 | 0 | 0 | 112.4 | I46 T47 V48 T52 V61 | I46-F50 HydrophobicContact CG2-CD2 3.54Å; I46-F50 HydrophobicContact CG2-CE2 3.44Å; I46-F50 VanDerWaalsContact CG2-CE2 3.44Å; I46-F50 VanDerWaalsContact O-CD2 3.23Å; I46-F50 WeakPolarHBondContact O-CD2 3.49Å; I46-F50 PolarHBondContact O-N 2.84Å; T47-F50 PolarHBondContact O-N 3.15Å; V48-F50 VanDerWaalsContact C-N 3.28Å; V48-F50 PolarHBondContact O-N 2.93Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 3.24Å; F50-V61 HydrophobicContact CB-CB 4.12Å; F50-V61 HydrophobicContact CB-CG1 3.45Å; F50-V61 VanDerWaalsContact CB-CG1 3.45Å; F50-V61 HydrophobicContact CB-CG2 3.5Å; F50-V61 HydrophobicContact CD1-CG2 4.13Å; F50-V61 HydrophobicContact CD2-CG1 4.49Å; F50-V61 HydrophobicContact CG-CG1 4.2Å; F50-V61 HydrophobicContact CG-CG2 3.91Å |
| 51 | L | 74.8 | Confident | 75.7 | Confident | 17 Ų | 17 | 58.7 Ų | 58.7 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.4 | -25.6 | 178 | -67.5 | 170.9 | 0 | 0 | 0 | 113.2 | Y4 T47 V48 K58 V61 L90 | Y4-L51 HydrophobicContact CD2-CB 3.49Å; Y4-L51 VanDerWaalsContact CD2-CB 3.49Å; Y4-L51 WeakPolarHBondContact CD2-O 3.28Å; Y4-L51 HydrophobicContact CE2-CB 3.28Å; Y4-L51 HydrophobicContact CE2-CD1 3.78Å; Y4-L51 HydrophobicContact CE2-CG 4.13Å; Y4-L51 HydrophobicContact CG-CB 4.46Å; T47-L51 HydrophobicContact CG2-CD1 4.04Å; T47-L51 VanDerWaalsContact O-CG 3.24Å; T47-L51 WeakPolarHBondContact O-CG 3.33Å; T47-L51 PolarHBondContact O-N 3.36Å; V48-L51 PolarHBondContact O-N 3.45Å; V48-L51 VanDerWaalsContact O-N 3.12Å; L51-K58 HydrophobicContact CD2-CB 4.31Å; L51-K58 HydrophobicContact CD2-CG 4.03Å; L51-V61 HydrophobicContact CG-CG1 4.46Å; L51-L90 HydrophobicContact CD1-CD1 4.3Å; L51-L90 HydrophobicContact CD1-CD2 3.74Å |
| 52 | T | 70.5 | Confident | 74.6 | Confident | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77.8 | -42.7 | 175.7 | 57 | 0 | 0 | 0 | 0 | 112.8 | Y4 V48 L49 F50 F106 | Y4-T52 HydrophobicContact CD1-CG2 3.24Å; Y4-T52 HydrophobicContact CE1-CG2 3.92Å; Y4-T52 HydrophobicContact CG-CG2 3.62Å; V48-T52 HydrophobicContact CG1-CG2 4.22Å; V48-T52 WeakPolarHBondContact O-CG2 3.37Å; V48-T52 PolarHBondContact O-N 3.1Å; V48-T52 PolarHBondContact O-OG1 3.25Å; L49-T52 PolarHBondContact O-OG1 3.06Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 3.24Å; T52-F106 HydrophobicContact CG2-CE1 4.01Å; T52-F106 HydrophobicContact CG2-CE2 4.38Å; T52-F106 HydrophobicContact CG2-CZ 3.6Å |
| 53 | K | 67.8 | Low | 73.5 | Confident | 192 Ų | 192 | 61.9 Ų | 61.9 | 84% | 0.835 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79.1 | -32.8 | -169 | -167.1 | 173.1 | -178.7 | 177.9 | 0 | 114.2 | L49 | L49-K53 PolarHBondContact O-N 2.81Å |
| 54 | N | 62.3 | Low | 72.7 | Confident | 61 Ų | 61 | 65.5 Ų | 65.5 | 33% | 0.326 | 33% | 0.328 | S | S | . | . | trans | -142.5 | 110.9 | -167.2 | -152.3 | -21.9 | 0 | 0 | 0 | 113.7 | H56 F57 | N54-H56 PolarHBondContact O-N 3.24Å; N54-H56 PolarHBondContact OD1-N 3.1Å; N54-F57 HydrophobicContact CB-CB 4.23Å; N54-F57 HydrophobicContact CB-CD2 4.39Å; N54-F57 VanDerWaalsContact ND2-CD2 3.31Å; N54-F57 WeakPolarHBondContact ND2-CD2 3.27Å; N54-F57 PolarHBondContact O-N 3.24Å | ||
| 55 | N | 63.5 | Low | 71.8 | Confident | 101 Ų | 101 | 65.8 Ų | 65.8 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -32 | 175.9 | -85.5 | -19.3 | 0 | 0 | 0 | 112.3 | K58 | N55-K58 WeakPolarHBondContact OD1-CE 3.32Å; N55-K58 PolarHBondContact OD1-NZ 3.09Å |
| 56 | H | 63.9 | Low | 70.8 | Confident | 168 Ų | 168 | 68.8 Ų | 68.8 | 78% | 0.778 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -32.5 | -177.9 | -71.9 | -77.3 | 0 | 0 | 0 | 113.1 | N54 | N54-H56 PolarHBondContact O-N 3.24Å; N54-H56 PolarHBondContact OD1-N 3.1Å |
| 57 | F | 62.8 | Low | 70.1 | Confident | 109 Ų | 109 | 73.7 Ų | 73.7 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -3.9 | -176.7 | -88.2 | -92.9 | 0 | 0 | 0 | 114.4 | N54 H59 A60 V61 | N54-F57 HydrophobicContact CB-CB 4.23Å; N54-F57 HydrophobicContact CB-CD2 4.39Å; N54-F57 VanDerWaalsContact ND2-CD2 3.31Å; N54-F57 WeakPolarHBondContact ND2-CD2 3.27Å; N54-F57 PolarHBondContact O-N 3.24Å; F57-H59 PolarHBondContact O-N 3.28Å; F57-H59 VanDerWaalsContact O-N 3.08Å; F57-A60 HydrophobicContact CD1-CB 4.1Å; F57-A60 PolarHBondContact O-N 2.86Å; F57-V61 HydrophobicContact CB-CG2 3.97Å; F57-V61 WeakPolarHBondContact O-CG2 3.06Å; F57-V61 PolarHBondContact O-N 2.78Å |
| 58 | K | 65.1 | Low | 69.4 | Low | 23 Ų | 23 | 76.1 Ų | 76.1 | 10% | 0.1 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -52.2 | -38.8 | -178.5 | -69.3 | -176.8 | 179.8 | 172.1 | 0 | 113.1 | L2 L51 N55 | L2-K58 PolarHBondContact O-NZ 2.88Å; L51-K58 HydrophobicContact CD2-CB 4.31Å; L51-K58 HydrophobicContact CD2-CG 4.03Å; N55-K58 WeakPolarHBondContact OD1-CE 3.32Å; N55-K58 PolarHBondContact OD1-NZ 3.09Å |
| 59 | H | 66 | Low | 68.7 | Low | 142 Ų | 142 | 76 Ų | 76 | 66% | 0.657 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -73 | -26 | 179.6 | -67.1 | -70.5 | 0 | 0 | 0 | 113.6 | F57 P63 | F57-H59 PolarHBondContact O-N 3.28Å; F57-H59 VanDerWaalsContact O-N 3.08Å; H59-P63 WeakPolarHBondContact O-CD 3.31Å; H59-P63 WeakPolarHBondContact O-CG 3.39Å |
| 60 | A | 68 | Low | 68.1 | Low | 39 Ų | 39 | 75.3 Ų | 75.3 | 32% | 0.322 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -88.7 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F57 P63 I64 | F57-A60 HydrophobicContact CD1-CB 4.1Å; F57-A60 PolarHBondContact O-N 2.86Å; A60-P63 WeakPolarHBondContact O-CD 3.42Å; A60-I64 HydrophobicContact CB-CD1 4.23Å; A60-I64 WeakPolarHBondContact O-CB 3.33Å; A60-I64 WeakPolarHBondContact O-CD1 3.21Å; A60-I64 WeakPolarHBondContact O-CG1 3.22Å; A60-I64 PolarHBondContact O-N 3.21Å |
| 61 | V | 68.5 | Low | 67.5 | Low | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.024 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.1 | -45.9 | -173.9 | 169.5 | 0 | 0 | 0 | 0 | 112 | T47 F50 L51 F57 I64 C65 | T47-V61 HydrophobicContact CG2-CG1 4.42Å; F50-V61 HydrophobicContact CB-CB 4.12Å; F50-V61 HydrophobicContact CB-CG1 3.45Å; F50-V61 VanDerWaalsContact CB-CG1 3.45Å; F50-V61 HydrophobicContact CB-CG2 3.5Å; F50-V61 HydrophobicContact CD1-CG2 4.13Å; F50-V61 HydrophobicContact CD2-CG1 4.49Å; F50-V61 HydrophobicContact CG-CG1 4.2Å; F50-V61 HydrophobicContact CG-CG2 3.91Å; L51-V61 HydrophobicContact CG-CG1 4.46Å; F57-V61 HydrophobicContact CB-CG2 3.97Å; F57-V61 WeakPolarHBondContact O-CG2 3.06Å; F57-V61 PolarHBondContact O-N 2.78Å; V61-I64 PolarHBondContact O-N 3.34Å; V61-C65 WeakPolarHBondContact O-CB 3.4Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.42Å |
| 62 | I | 69.1 | Low | 67 | Low | 90 Ų | 90 | 79.5 Ų | 79.5 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.6 | -50.4 | 179.6 | -64.5 | 169.5 | 0 | 0 | 0 | 110.4 | I64 C65 I66 | I62-I64 PolarHBondContact O-N 2.99Å; I62-C65 PolarHBondContact O-N 3.47Å; I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.47Å; I62-I66 VanDerWaalsContact O-CG1 3.24Å; I62-I66 WeakPolarHBondContact O-CG1 3.44Å; I62-I66 PolarHBondContact O-N 2.95Å |
| 63 | P | 67.4 | Low | 66.7 | Low | 71 Ų | 71 | 78.4 Ų | 78.4 | 46% | 0.461 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 171.7 | -27.3 | 34.2 | 0 | 0 | 0 | 114.7 | H59 A60 C65 I66 W67 | H59-P63 WeakPolarHBondContact O-CD 3.31Å; H59-P63 WeakPolarHBondContact O-CG 3.39Å; A60-P63 WeakPolarHBondContact O-CD 3.42Å; P63-C65 VanDerWaalsContact C-N 3.34Å; P63-C65 PolarHBondContact O-N 3.31Å; P63-I66 PolarHBondContact O-N 3.42Å; P63-W67 VanDerWaalsContact O-CB 3.25Å; P63-W67 WeakPolarHBondContact O-CB 3.33Å; P63-W67 PolarHBondContact O-N 3.18Å |
| 64 | I | 72 | Confident | 66.6 | Low | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.405 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 178 | -70.7 | 163.2 | 0 | 0 | 0 | 110.5 | A60 V61 I62 W67 L68 | A60-I64 HydrophobicContact CB-CD1 4.23Å; A60-I64 WeakPolarHBondContact O-CB 3.33Å; A60-I64 WeakPolarHBondContact O-CD1 3.21Å; A60-I64 WeakPolarHBondContact O-CG1 3.22Å; A60-I64 PolarHBondContact O-N 3.21Å; V61-I64 PolarHBondContact O-N 3.34Å; I62-I64 PolarHBondContact O-N 2.99Å; I64-W67 WeakPolarHBondContact O-CB 3.32Å; I64-W67 PolarHBondContact O-N 2.88Å; I64-L68 HydrophobicContact CG2-CD1 4.06Å; I64-L68 HydrophobicContact CG2-CG 4.4Å; I64-L68 WeakPolarHBondContact O-CB 3.35Å; I64-L68 VanDerWaalsContact O-CG 3.31Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 2.93Å |
| 65 | C | 69 | Low | 67 | Low | 6 Ų | 6 | 81 Ų | 81 | 4% | 0.041 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -67.3 | -40 | 177.1 | -65.6 | 0 | 0 | 0 | 0 | 111.9 | T47 V61 I62 P63 W67 N69 | T47-C65 PolarHBondContact OG1-SG 3.38Å; V61-C65 WeakPolarHBondContact O-CB 3.4Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.42Å; I62-C65 PolarHBondContact O-N 3.47Å; P63-C65 VanDerWaalsContact C-N 3.34Å; P63-C65 PolarHBondContact O-N 3.31Å; C65-W67 VanDerWaalsContact C-N 3.31Å; C65-N69 PolarHBondContact O-N 2.9Å; C65-N69 PolarHBondContact O-ND2 3.3Å |
| 66 | I | 68.7 | Low | 67.3 | Low | 69 Ų | 69 | 81.5 Ų | 81.5 | 35% | 0.354 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 172.3 | -67.2 | 166.1 | 0 | 0 | 0 | 110 | I62 P63 N69 C70 L83 | I62-I66 HydrophobicContact CG2-CD1 3.78Å; I62-I66 HydrophobicContact CG2-CG1 4.47Å; I62-I66 VanDerWaalsContact O-CG1 3.24Å; I62-I66 WeakPolarHBondContact O-CG1 3.44Å; I62-I66 PolarHBondContact O-N 2.95Å; P63-I66 PolarHBondContact O-N 3.42Å; I66-N69 WeakPolarHBondContact O-CB 3.5Å; I66-N69 PolarHBondContact O-N 3.33Å; I66-C70 PolarHBondContact O-N 3.37Å; I66-C70 PolarHBondContact O-SG 3.47Å; I66-L83 HydrophobicContact CG1-CD2 3.83Å |
| 67 | W | 70.2 | Confident | 67.8 | Low | 148 Ų | 148 | 77.5 Ų | 77.5 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.4 | -46.4 | 178.6 | 177.2 | 69.7 | 0 | 0 | 0 | 112.3 | P63 I64 C65 N69 C70 Q71 | P63-W67 VanDerWaalsContact O-CB 3.25Å; P63-W67 WeakPolarHBondContact O-CB 3.33Å; P63-W67 PolarHBondContact O-N 3.18Å; I64-W67 WeakPolarHBondContact O-CB 3.32Å; I64-W67 PolarHBondContact O-N 2.88Å; C65-W67 VanDerWaalsContact C-N 3.31Å; W67-N69 VanDerWaalsContact C-N 3.26Å; W67-N69 PolarHBondContact O-N 3.4Å; W67-C70 WeakPolarHBondContact O-CB 3.48Å; W67-C70 PolarHBondContact O-N 3.35Å; W67-Q71 HydrophobicContact CD2-CG 4.38Å; W67-Q71 HydrophobicContact CZ2-CG 4.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.32Å; W67-Q71 PolarHBondContact O-N 3.25Å |
| 68 | L | 69 | Low | 68.3 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 174 | -73.4 | 171 | 0 | 0 | 0 | 111.6 | L43 I64 Q71 H72 | L43-L68 HydrophobicContact CD1-CB 4.32Å; L43-L68 HydrophobicContact CD1-CD1 3.8Å; L43-L68 HydrophobicContact CD2-CB 4.23Å; I64-L68 HydrophobicContact CG2-CD1 4.06Å; I64-L68 HydrophobicContact CG2-CG 4.4Å; I64-L68 WeakPolarHBondContact O-CB 3.35Å; I64-L68 VanDerWaalsContact O-CG 3.31Å; I64-L68 WeakPolarHBondContact O-CG 3.23Å; I64-L68 PolarHBondContact O-N 2.93Å; L68-Q71 PolarHBondContact O-N 3.02Å; L68-H72 PolarHBondContact O-N 3.46Å; L68-H72 VanDerWaalsContact O-N 3.17Å |
| 69 | N | 66.3 | Low | 68.9 | Low | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.2 | -80.1 | -58.9 | 0 | 0 | 0 | 113 | L43 C65 I66 W67 Q71 H72 F73 L79 S82 I86 | L43-N69 WeakPolarHBondContact CD2-ND2 3.38Å; L43-N69 VanDerWaalsContact CD2-OD1 3.31Å; L43-N69 WeakPolarHBondContact CD2-OD1 3.46Å; C65-N69 PolarHBondContact O-N 2.9Å; C65-N69 PolarHBondContact O-ND2 3.3Å; I66-N69 WeakPolarHBondContact O-CB 3.5Å; I66-N69 PolarHBondContact O-N 3.33Å; W67-N69 VanDerWaalsContact C-N 3.26Å; W67-N69 PolarHBondContact O-N 3.4Å; N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 3.31Å; N69-H72 PolarHBondContact O-N 3.1Å; N69-F73 HydrophobicContact CB-CD2 4.5Å; N69-F73 WeakPolarHBondContact O-CB 3.31Å; N69-F73 WeakPolarHBondContact O-CD2 3.25Å; N69-F73 PolarHBondContact O-N 3.04Å; N69-F73 VanDerWaalsContact O-N 3.1Å; N69-L79 HydrophobicContact CB-CD1 3.77Å; N69-S82 VanDerWaalsContact CG-OG 3.31Å; N69-S82 VanDerWaalsContact OD1-CB 3.26Å; N69-S82 WeakPolarHBondContact OD1-CB 3.41Å; N69-S82 PolarHBondContact OD1-OG 3.36Å; N69-I86 WeakPolarHBondContact ND2-CD1 3.2Å |
| 70 | C | 66.6 | Low | 69.5 | Low | 59 Ų | 59 | 72.8 Ų | 72.8 | 40% | 0.399 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -33.3 | 177.4 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | I66 W67 L79 | I66-C70 PolarHBondContact O-N 3.37Å; I66-C70 PolarHBondContact O-SG 3.47Å; W67-C70 WeakPolarHBondContact O-CB 3.48Å; W67-C70 PolarHBondContact O-N 3.35Å; C70-L79 HydrophobicContact CB-CD1 4.46Å |
| 71 | Q | 65.2 | Low | 70.2 | Confident | 118 Ų | 118 | 74.9 Ų | 74.9 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -72.7 | -40.2 | 178.5 | -69.8 | -66.5 | -22.3 | 0 | 0 | 112.5 | W67 L68 N69 | W67-Q71 HydrophobicContact CD2-CG 4.38Å; W67-Q71 HydrophobicContact CZ2-CG 4.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.32Å; W67-Q71 PolarHBondContact O-N 3.25Å; L68-Q71 PolarHBondContact O-N 3.02Å; N69-Q71 VanDerWaalsContact C-N 3.3Å; N69-Q71 PolarHBondContact O-N 3.31Å |
| 72 | H | 64.9 | Low | 70.9 | Confident | 96 Ų | 96 | 74.7 Ų | 74.7 | 44% | 0.444 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -80.4 | -31.4 | -176.4 | -165 | 64.1 | 0 | 0 | 0 | 113 | Y39 L68 N69 | Y39-H72 HydrophobicContact CD1-CB 4.4Å; Y39-H72 AromaticContact CD1-CD2 3.55Å; Y39-H72 HydrophobicContact CE1-CB 3.83Å; Y39-H72 AromaticContact CE1-CD2 3.86Å; Y39-H72 AromaticContact CE1-CG 3.86Å; Y39-H72 AromaticContact CG-CD2 3.95Å; L68-H72 PolarHBondContact O-N 3.46Å; L68-H72 VanDerWaalsContact O-N 3.17Å; N69-H72 PolarHBondContact O-N 3.1Å |
| 73 | F | 64.7 | Low | 71.6 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | trans | -110.9 | 104 | -172.2 | -65 | -62.2 | 0 | 0 | 0 | 112 | A36 Y39 E40 N69 H75 T78 | A36-F73 HydrophobicContact CB-CE1 4.19Å; Y39-F73 HydrophobicContact CD1-CE2 4.09Å; Y39-F73 HydrophobicContact CD1-CZ 4.13Å; Y39-F73 HydrophobicContact CE1-CE2 4.46Å; E40-F73 HydrophobicContact CG-CE2 3.98Å; E40-F73 HydrophobicContact CG-CZ 3.67Å; N69-F73 HydrophobicContact CB-CD2 4.5Å; N69-F73 WeakPolarHBondContact O-CB 3.31Å; N69-F73 WeakPolarHBondContact O-CD2 3.25Å; N69-F73 PolarHBondContact O-N 3.04Å; N69-F73 VanDerWaalsContact O-N 3.1Å; F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 2.93Å; F73-T78 WeakPolarHBondContact CB-OG1 3.28Å; F73-T78 HydrophobicContact CD1-CG2 4.33Å | ||
| 74 | H | 64.8 | Low | 72.4 | Confident | 175 Ų | 175 | 74.3 Ų | 74.3 | 81% | 0.81 | 37% | 0.369 | S | S | * | . | trans | -73 | -19.1 | 177.8 | -65.5 | -63 | 0 | 0 | 0 | 114 | ||||
| 75 | H | 71 | Confident | 73.1 | Confident | 133 Ų | 133 | 70.6 Ų | 70.6 | 62% | 0.616 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -99.7 | 135.1 | -179.7 | -69.9 | -71.7 | 0 | 0 | 0 | 112.4 | F73 S77 T78 L79 | F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 2.93Å; H75-S77 VanDerWaalsContact C-N 3.26Å; H75-S77 PolarHBondContact O-N 3.31Å; H75-T78 WeakPolarHBondContact CB-OG1 3.46Å; H75-T78 PolarHBondContact O-N 2.96Å; H75-T78 VanDerWaalsContact O-N 3.1Å; H75-T78 PolarHBondContact O-OG1 3.14Å; H75-L79 PolarHBondContact O-N 2.86Å; H75-L79 VanDerWaalsContact O-N 3.12Å |
| 76 | V | 70.6 | Confident | 73.9 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 67% | 0.667 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -57.5 | -37.9 | 179.7 | 177.2 | 0 | 0 | 0 | 0 | 112 | T78 L79 I80 | V76-T78 PolarHBondContact O-N 3.42Å; V76-L79 PolarHBondContact O-N 3.31Å; V76-I80 HydrophobicContact CG1-CD1 3.86Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 WeakPolarHBondContact O-CG1 3.25Å; V76-I80 PolarHBondContact O-N 2.94Å |
| 77 | S | 73.3 | Confident | 74.8 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 59% | 0.594 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 177.7 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | H75 I80 R81 | H75-S77 VanDerWaalsContact C-N 3.26Å; H75-S77 PolarHBondContact O-N 3.31Å; S77-I80 PolarHBondContact O-N 3.47Å; S77-R81 PolarHBondContact O-N 2.83Å |
| 78 | T | 74.5 | Confident | 75.7 | Confident | 26 Ų | 26 | 66.5 Ų | 66.5 | 16% | 0.16 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.9 | -35.5 | 177.2 | 44.2 | 0 | 0 | 0 | 0 | 112.4 | F73 H75 V76 R81 S82 | F73-T78 WeakPolarHBondContact CB-OG1 3.28Å; F73-T78 HydrophobicContact CD1-CG2 4.33Å; H75-T78 WeakPolarHBondContact CB-OG1 3.46Å; H75-T78 PolarHBondContact O-N 2.96Å; H75-T78 VanDerWaalsContact O-N 3.1Å; H75-T78 PolarHBondContact O-OG1 3.14Å; V76-T78 PolarHBondContact O-N 3.42Å; T78-R81 PolarHBondContact O-N 3.36Å; T78-S82 PolarHBondContact O-N 3.33Å |
| 79 | L | 76.5 | Confident | 76.7 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -49 | 173.7 | -177.3 | 70.9 | 0 | 0 | 0 | 111.3 | N69 C70 H75 V76 R81 S82 L83 | N69-L79 HydrophobicContact CB-CD1 3.77Å; C70-L79 HydrophobicContact CB-CD1 4.46Å; H75-L79 PolarHBondContact O-N 2.86Å; H75-L79 VanDerWaalsContact O-N 3.12Å; V76-L79 PolarHBondContact O-N 3.31Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.17Å; L79-S82 PolarHBondContact O-N 2.95Å; L79-L83 HydrophobicContact CG-CD1 4.27Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 3.32Å |
| 80 | I | 79 | Confident | 77.7 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 55% | 0.549 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 179 | -68 | 168.4 | 0 | 0 | 0 | 110.5 | V76 S77 L83 F84 | V76-I80 HydrophobicContact CG1-CD1 3.86Å; V76-I80 HydrophobicContact CG1-CG1 4.42Å; V76-I80 WeakPolarHBondContact O-CG1 3.25Å; V76-I80 PolarHBondContact O-N 2.94Å; S77-I80 PolarHBondContact O-N 3.47Å; I80-L83 PolarHBondContact O-N 2.94Å; I80-F84 WeakPolarHBondContact O-CB 3.34Å; I80-F84 PolarHBondContact O-N 2.94Å |
| 81 | R | 82.6 | Confident | 78.8 | Confident | 83 Ų | 83 | 65.8 Ų | 65.8 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 176.8 | -174.8 | -179.8 | 65.8 | -150.4 | -3.1 | 111.4 | E40 S77 T78 L79 L83 F84 T85 F121 | E40-R81 IonicContact OE1-CZ 2.74Å; E40-R81 VanDerWaalsContact OE1-CZ 3.25Å; E40-R81 IonicContact OE1-NE 2.75Å; E40-R81 PolarHBondContact OE1-NE 3.43Å; E40-R81 IonicContact OE1-NH2 2.78Å; E40-R81 PolarHBondContact OE1-NH2 2.86Å; E40-R81 IonicContact OE2-NE 3.44Å; S77-R81 PolarHBondContact O-N 2.83Å; T78-R81 PolarHBondContact O-N 3.36Å; L79-R81 VanDerWaalsContact C-N 3.32Å; L79-R81 PolarHBondContact O-N 3.17Å; R81-L83 PolarHBondContact O-N 2.95Å; R81-F84 CarbonylContact O-C 3.45Å; R81-F84 WeakPolarHBondContact O-CB 3.48Å; R81-F84 PolarHBondContact O-N 2.86Å; R81-F84 VanDerWaalsContact O-N 3.15Å; R81-T85 PolarHBondContact O-N 3.46Å; R81-T85 PolarHBondContact O-OG1 3.41Å; R81-F121 HydrophobicContact CG-CE1 4.29Å; R81-F121 HydrophobicContact CG-CZ 4.37Å |
| 82 | S | 82.8 | Confident | 80 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | -179.9 | -173 | 0 | 0 | 0 | 0 | 112.8 | N69 T78 L79 F84 T85 I86 | N69-S82 VanDerWaalsContact CG-OG 3.31Å; N69-S82 VanDerWaalsContact OD1-CB 3.26Å; N69-S82 WeakPolarHBondContact OD1-CB 3.41Å; N69-S82 PolarHBondContact OD1-OG 3.36Å; T78-S82 PolarHBondContact O-N 3.33Å; L79-S82 PolarHBondContact O-N 2.95Å; S82-F84 VanDerWaalsContact C-N 3.31Å; S82-F84 PolarHBondContact O-N 3.47Å; S82-T85 WeakPolarHBondContact O-CB 3.28Å; S82-T85 PolarHBondContact O-N 2.8Å; S82-I86 WeakPolarHBondContact O-CG1 3.5Å; S82-I86 PolarHBondContact O-N 2.85Å |
| 83 | L | 83.7 | Confident | 81.2 | Confident | 50 Ų | 50 | 57.1 Ų | 57.1 | 26% | 0.262 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 174.4 | -70.3 | 176 | 0 | 0 | 0 | 111.4 | I66 L79 I80 R81 I86 I87 | I66-L83 HydrophobicContact CG1-CD2 3.83Å; L79-L83 HydrophobicContact CG-CD1 4.27Å; L79-L83 WeakPolarHBondContact O-CG 3.18Å; L79-L83 PolarHBondContact O-N 3.32Å; I80-L83 PolarHBondContact O-N 2.94Å; R81-L83 PolarHBondContact O-N 2.95Å; L83-I86 PolarHBondContact O-N 3.44Å; L83-I87 WeakPolarHBondContact O-CB 3.41Å; L83-I87 WeakPolarHBondContact O-CD1 3.2Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 2.97Å |
| 84 | F | 84.3 | Confident | 82.3 | Confident | 104 Ų | 104 | 61.2 Ų | 61.2 | 46% | 0.456 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 173.8 | 175.4 | -93.5 | 0 | 0 | 0 | 111.5 | I80 R81 S82 I86 I87 F88 F121 | I80-F84 WeakPolarHBondContact O-CB 3.34Å; I80-F84 PolarHBondContact O-N 2.94Å; R81-F84 CarbonylContact O-C 3.45Å; R81-F84 WeakPolarHBondContact O-CB 3.48Å; R81-F84 PolarHBondContact O-N 2.86Å; R81-F84 VanDerWaalsContact O-N 3.15Å; S82-F84 VanDerWaalsContact C-N 3.31Å; S82-F84 PolarHBondContact O-N 3.47Å; F84-I86 PolarHBondContact O-N 3.25Å; F84-I87 PolarHBondContact O-N 3.23Å; F84-F88 HydrophobicContact CE1-CB 4.38Å; F84-F88 HydrophobicContact CZ-CB 4.49Å; F84-F88 HydrophobicContact CZ-CD2 4.29Å; F84-F88 WeakPolarHBondContact O-CB 3.42Å; F84-F88 PolarHBondContact O-N 3.2Å; F84-F121 AromaticContact CD1-CE1 3.73Å; F84-F121 HydrophobicContact CD1-CE1 3.73Å; F84-F121 AromaticContact CD1-CZ 3.75Å; F84-F121 HydrophobicContact CD1-CZ 3.75Å; F84-F121 AromaticContact CE1-CE1 3.77Å; F84-F121 HydrophobicContact CE1-CE1 3.77Å; F84-F121 AromaticContact CE1-CZ 3.97Å; F84-F121 HydrophobicContact CE1-CZ 3.97Å |
| 85 | T | 86.9 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.4 | -51 | 176.6 | -55.9 | 0 | 0 | 0 | 0 | 111 | E40 F41 R81 S82 F88 V89 F121 | E40-T85 HydrophobicContact CB-CG2 4.24Å; E40-T85 PolarHBondContact OE2-OG1 2.96Å; E40-T85 VanDerWaalsContact OE2-OG1 3.08Å; F41-T85 HydrophobicContact CD1-CG2 3.8Å; F41-T85 HydrophobicContact CD2-CG2 4.48Å; F41-T85 HydrophobicContact CE1-CG2 3.56Å; F41-T85 HydrophobicContact CE2-CG2 4.27Å; F41-T85 HydrophobicContact CG-CG2 4.27Å; F41-T85 HydrophobicContact CZ-CG2 3.82Å; R81-T85 PolarHBondContact O-N 3.46Å; R81-T85 PolarHBondContact O-OG1 3.41Å; S82-T85 WeakPolarHBondContact O-CB 3.28Å; S82-T85 PolarHBondContact O-N 2.8Å; T85-F88 PolarHBondContact O-N 3.32Å; T85-V89 WeakPolarHBondContact O-CB 3.45Å; T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 3.47Å; T85-F121 HydrophobicContact CG2-CE2 4.21Å; T85-F121 WeakPolarHBondContact OG1-CE2 3.43Å; T85-F121 WeakPolarHBondContact OG1-CZ 3.31Å |
| 86 | I | 86.3 | Confident | 84.4 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.8 | -48.2 | -179.9 | -66 | 170.5 | 0 | 0 | 0 | 110.8 | L43 T47 N69 S82 L83 F84 F88 V89 L90 | L43-I86 HydrophobicContact CD2-CD1 4.03Å; L43-I86 HydrophobicContact CG-CD1 4.02Å; T47-I86 HydrophobicContact CG2-CG2 4.1Å; N69-I86 WeakPolarHBondContact ND2-CD1 3.2Å; S82-I86 WeakPolarHBondContact O-CG1 3.5Å; S82-I86 PolarHBondContact O-N 2.85Å; L83-I86 PolarHBondContact O-N 3.44Å; F84-I86 PolarHBondContact O-N 3.25Å; I86-F88 VanDerWaalsContact C-N 3.35Å; I86-F88 PolarHBondContact O-N 3.02Å; I86-V89 PolarHBondContact O-N 3.1Å; I86-L90 HydrophobicContact CG2-CD1 3.67Å; I86-L90 HydrophobicContact CG2-CG 4.29Å; I86-L90 WeakPolarHBondContact O-CB 3.47Å; I86-L90 WeakPolarHBondContact O-CD1 3.46Å; I86-L90 WeakPolarHBondContact O-CG 3.38Å; I86-L90 PolarHBondContact O-N 3.44Å |
| 87 | I | 87 | Confident | 85.4 | Confident | 100 Ų | 100 | 44.5 Ų | 44.5 | 51% | 0.513 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.3 | -44.2 | 180 | -68.9 | 167.2 | 0 | 0 | 0 | 110.7 | L83 F84 L90 C91 | L83-I87 WeakPolarHBondContact O-CB 3.41Å; L83-I87 WeakPolarHBondContact O-CD1 3.2Å; L83-I87 WeakPolarHBondContact O-CG1 3.46Å; L83-I87 PolarHBondContact O-N 2.97Å; F84-I87 PolarHBondContact O-N 3.23Å; I87-L90 PolarHBondContact O-N 3.26Å; I87-C91 VanDerWaalsContact O-CB 3.24Å; I87-C91 WeakPolarHBondContact O-CB 3.36Å; I87-C91 PolarHBondContact O-N 2.85Å; I87-C91 PolarHBondContact O-SG 3.33Å |
| 88 | F | 89.9 | Confident | 86.1 | Confident | 24 Ų | 24 | 42.5 Ų | 42.5 | 11% | 0.105 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 178.6 | 176.8 | -89.3 | 0 | 0 | 0 | 110.6 | F84 T85 I86 L90 C91 F92 A113 A117 L120 F130 | F84-F88 HydrophobicContact CE1-CB 4.38Å; F84-F88 HydrophobicContact CZ-CB 4.49Å; F84-F88 HydrophobicContact CZ-CD2 4.29Å; F84-F88 WeakPolarHBondContact O-CB 3.42Å; F84-F88 PolarHBondContact O-N 3.2Å; T85-F88 PolarHBondContact O-N 3.32Å; I86-F88 VanDerWaalsContact C-N 3.35Å; I86-F88 PolarHBondContact O-N 3.02Å; F88-L90 PolarHBondContact O-N 3.44Å; F88-C91 PolarHBondContact O-N 3.23Å; F88-F92 HydrophobicContact CE1-CB 4.26Å; F88-F92 HydrophobicContact CE1-CD1 4.27Å; F88-F92 HydrophobicContact CE1-CG 4.41Å; F88-F92 HydrophobicContact CZ-CB 4.3Å; F88-F92 HydrophobicContact CZ-CD1 4.27Å; F88-F92 HydrophobicContact CZ-CG 4.21Å; F88-F92 WeakPolarHBondContact O-CB 3.29Å; F88-F92 PolarHBondContact O-N 3.01Å; F88-A113 WeakPolarHBondContact CE1-O 3.42Å; F88-A117 HydrophobicContact CD1-CB 3.7Å; F88-A117 HydrophobicContact CE1-CB 3.69Å; F88-L120 HydrophobicContact CD2-CD1 4.44Å; F88-L120 HydrophobicContact CE1-CD1 4.3Å; F88-L120 HydrophobicContact CE2-CD1 3.53Å; F88-L120 HydrophobicContact CZ-CD1 3.44Å; F88-L120 VanDerWaalsContact CZ-CD1 3.44Å; F88-F130 AromaticContact CE2-CE1 3.7Å; F88-F130 HydrophobicContact CE2-CE1 3.7Å; F88-F130 AromaticContact CE2-CZ 3.76Å; F88-F130 HydrophobicContact CE2-CZ 3.76Å; F88-F130 AromaticContact CZ-CE1 3.97Å; F88-F130 HydrophobicContact CZ-CE1 3.97Å; F88-F130 HydrophobicContact CZ-CE2 4.27Å; F88-F130 AromaticContact CZ-CZ 3.55Å; F88-F130 HydrophobicContact CZ-CZ 3.55Å |
| 89 | V | 90.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | -179.3 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | F41 T85 I86 C91 S93 M110 A113 | F41-V89 HydrophobicContact CD1-CG2 4.3Å; F41-V89 HydrophobicContact CE1-CG2 4.11Å; T85-V89 WeakPolarHBondContact O-CB 3.45Å; T85-V89 WeakPolarHBondContact O-CG2 3.5Å; T85-V89 PolarHBondContact O-N 3.47Å; I86-V89 PolarHBondContact O-N 3.1Å; V89-C91 PolarHBondContact O-N 3.22Å; V89-S93 VanDerWaalsContact O-CB 3.31Å; V89-S93 WeakPolarHBondContact O-CB 3.3Å; V89-S93 PolarHBondContact O-N 3.18Å; V89-S93 PolarHBondContact O-OG 3.42Å; V89-M110 HydrophobicContact CG1-SD 3.33Å; V89-M110 WeakPolarHBondContact CG1-SD 3.37Å; V89-A113 HydrophobicContact CG1-CB 4.29Å |
| 90 | L | 87.4 | Confident | 87.4 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.4 | -50 | 177.4 | -70.1 | 171 | 0 | 0 | 0 | 112.3 | Y4 T47 V48 L51 I86 I87 F88 Y94 | Y4-L90 WeakPolarHBondContact OH-CD2 3.43Å; T47-L90 HydrophobicContact CG2-CD1 4.16Å; V48-L90 HydrophobicContact CB-CD2 4.4Å; V48-L90 HydrophobicContact CG2-CD2 3.38Å; V48-L90 HydrophobicContact CG2-CG 4.39Å; L51-L90 HydrophobicContact CD1-CD1 4.3Å; L51-L90 HydrophobicContact CD1-CD2 3.74Å; I86-L90 HydrophobicContact CG2-CD1 3.67Å; I86-L90 HydrophobicContact CG2-CG 4.29Å; I86-L90 WeakPolarHBondContact O-CB 3.47Å; I86-L90 WeakPolarHBondContact O-CD1 3.46Å; I86-L90 WeakPolarHBondContact O-CG 3.38Å; I86-L90 PolarHBondContact O-N 3.44Å; I87-L90 PolarHBondContact O-N 3.26Å; F88-L90 PolarHBondContact O-N 3.44Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 2.86Å |
| 91 | C | 88.4 | Confident | 87.9 | Confident | 72 Ų | 72 | 38.3 Ų | 38.3 | 49% | 0.486 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -71.5 | -40.7 | -175.3 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | I87 F88 V89 K95 | I87-C91 VanDerWaalsContact O-CB 3.24Å; I87-C91 WeakPolarHBondContact O-CB 3.36Å; I87-C91 PolarHBondContact O-N 2.85Å; I87-C91 PolarHBondContact O-SG 3.33Å; F88-C91 PolarHBondContact O-N 3.23Å; V89-C91 PolarHBondContact O-N 3.22Å; C91-K95 VanDerWaalsContact O-CB 3.27Å; C91-K95 WeakPolarHBondContact O-CB 3.4Å; C91-K95 PolarHBondContact O-N 2.94Å |
| 92 | F | 91.4 | Very high | 88.1 | Confident | 27 Ų | 27 | 38.8 Ų | 38.8 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74 | -42.5 | -176.9 | -171.4 | -117.3 | 0 | 0 | 0 | 111.6 | F88 Y94 K95 L96 A113 F130 F134 | F88-F92 HydrophobicContact CE1-CB 4.26Å; F88-F92 HydrophobicContact CE1-CD1 4.27Å; F88-F92 HydrophobicContact CE1-CG 4.41Å; F88-F92 HydrophobicContact CZ-CB 4.3Å; F88-F92 HydrophobicContact CZ-CD1 4.27Å; F88-F92 HydrophobicContact CZ-CG 4.21Å; F88-F92 WeakPolarHBondContact O-CB 3.29Å; F88-F92 PolarHBondContact O-N 3.01Å; F92-Y94 VanDerWaalsContact C-N 3.32Å; F92-Y94 PolarHBondContact O-N 3.4Å; F92-K95 PolarHBondContact O-N 3.38Å; F92-K95 VanDerWaalsContact O-N 3.08Å; F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CG 4.34Å; F92-L96 HydrophobicContact CE1-CD1 3.65Å; F92-L96 HydrophobicContact CE1-CD2 4.39Å; F92-L96 HydrophobicContact CE1-CG 4.05Å; F92-L96 HydrophobicContact CE2-CD2 4.34Å; F92-L96 HydrophobicContact CE2-CG 4.29Å; F92-L96 HydrophobicContact CZ-CD1 4.08Å; F92-L96 HydrophobicContact CZ-CD2 3.97Å; F92-L96 HydrophobicContact CZ-CG 4.02Å; F92-L96 WeakPolarHBondContact O-CG 3.38Å; F92-L96 PolarHBondContact O-N 3.44Å; F92-A113 HydrophobicContact CB-CB 4.44Å; F92-A113 HydrophobicContact CD1-CB 3.74Å; F92-F130 AromaticContact CD2-CZ 3.84Å; F92-F130 HydrophobicContact CD2-CZ 3.84Å; F92-F130 HydrophobicContact CE1-CE2 4.22Å; F92-F130 HydrophobicContact CE1-CZ 4.28Å; F92-F130 AromaticContact CE2-CE2 3.9Å; F92-F130 HydrophobicContact CE2-CE2 3.9Å; F92-F130 AromaticContact CE2-CZ 3.52Å; F92-F130 HydrophobicContact CE2-CZ 3.52Å; F92-F130 HydrophobicContact CG-CZ 4.37Å; F92-F130 AromaticContact CZ-CE2 3.68Å; F92-F130 HydrophobicContact CZ-CE2 3.68Å; F92-F130 AromaticContact CZ-CZ 3.75Å; F92-F130 HydrophobicContact CZ-CZ 3.75Å; F92-F134 HydrophobicContact CD2-CD2 4.33Å; F92-F134 HydrophobicContact CD2-CE2 4.4Å; F92-F134 HydrophobicContact CE2-CD2 4.3Å |
| 93 | S | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.028 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 172.3 | -59.6 | 0 | 0 | 0 | 0 | 111.8 | V89 K95 L97 T109 A113 | V89-S93 VanDerWaalsContact O-CB 3.31Å; V89-S93 WeakPolarHBondContact O-CB 3.3Å; V89-S93 PolarHBondContact O-N 3.18Å; V89-S93 PolarHBondContact O-OG 3.42Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.02Å; S93-L97 PolarHBondContact O-N 2.92Å; S93-T109 PolarHBondContact OG-O 3.47Å; S93-A113 VanDerWaalsContact OG-CB 3.29Å; S93-A113 WeakPolarHBondContact OG-CB 3.46Å |
| 94 | Y | 87.3 | Confident | 88.8 | Confident | 105 Ų | 105 | 36.8 Ų | 36.8 | 41% | 0.412 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -45.8 | 172.3 | 170 | -96.1 | 0 | 0 | 0 | 111.6 | L2 L7 L90 F92 L97 S98 | L2-Y94 HydrophobicContact CD2-CD2 3.73Å; L2-Y94 HydrophobicContact CD2-CG 3.91Å; L2-Y94 HydrophobicContact CG-CD2 4.22Å; L7-Y94 HydrophobicContact CD1-CD2 4.01Å; L7-Y94 HydrophobicContact CD2-CD2 3.42Å; L7-Y94 VanDerWaalsContact CD2-CD2 3.42Å; L7-Y94 HydrophobicContact CD2-CE2 3.93Å; L7-Y94 HydrophobicContact CD2-CG 4.33Å; L7-Y94 HydrophobicContact CG-CD2 4.01Å; L90-Y94 WeakPolarHBondContact O-CB 3.48Å; L90-Y94 PolarHBondContact O-N 2.86Å; F92-Y94 VanDerWaalsContact C-N 3.32Å; F92-Y94 PolarHBondContact O-N 3.4Å; Y94-L97 PolarHBondContact O-N 3.46Å; Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 2.89Å; Y94-S98 PolarHBondContact O-OG 2.76Å |
| 95 | K | 89.5 | Confident | 89.2 | Confident | 48 Ų | 48 | 31.9 Ų | 31.9 | 21% | 0.209 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -40.9 | -175.6 | -165.5 | 66.7 | -174.9 | 155.6 | 0 | 111.4 | C91 F92 S93 S98 L99 F134 | C91-K95 VanDerWaalsContact O-CB 3.27Å; C91-K95 WeakPolarHBondContact O-CB 3.4Å; C91-K95 PolarHBondContact O-N 2.94Å; F92-K95 PolarHBondContact O-N 3.38Å; F92-K95 VanDerWaalsContact O-N 3.08Å; S93-K95 VanDerWaalsContact C-N 3.33Å; S93-K95 PolarHBondContact O-N 3.02Å; K95-S98 WeakPolarHBondContact CA-OG 3.49Å; K95-S98 PolarHBondContact O-N 3.47Å; K95-S98 PolarHBondContact O-OG 3.48Å; K95-L99 HydrophobicContact CD-CD1 4.17Å; K95-L99 HydrophobicContact CD-CG 4.13Å; K95-L99 HydrophobicContact CG-CD1 3.59Å; K95-L99 HydrophobicContact CG-CG 4.02Å; K95-L99 VanDerWaalsContact O-CB 3.32Å; K95-L99 WeakPolarHBondContact O-CB 3.5Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.41Å; K95-L99 PolarHBondContact O-N 3.01Å; K95-F134 HydrophobicContact CB-CE2 4.35Å; K95-F134 HydrophobicContact CG-CE2 3.79Å; K95-F134 HydrophobicContact CG-CZ 4.28Å |
| 96 | L | 91.3 | Very high | 89.3 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 9% | 0.094 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.6 | -51.4 | 173.7 | -76.7 | 175.1 | 0 | 0 | 0 | 111.5 | F92 S98 L99 F100 T109 L112 | F92-L96 HydrophobicContact CD1-CD1 3.96Å; F92-L96 HydrophobicContact CD1-CG 4.34Å; F92-L96 HydrophobicContact CE1-CD1 3.65Å; F92-L96 HydrophobicContact CE1-CD2 4.39Å; F92-L96 HydrophobicContact CE1-CG 4.05Å; F92-L96 HydrophobicContact CE2-CD2 4.34Å; F92-L96 HydrophobicContact CE2-CG 4.29Å; F92-L96 HydrophobicContact CZ-CD1 4.08Å; F92-L96 HydrophobicContact CZ-CD2 3.97Å; F92-L96 HydrophobicContact CZ-CG 4.02Å; F92-L96 WeakPolarHBondContact O-CG 3.38Å; F92-L96 PolarHBondContact O-N 3.44Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.92Å; L96-L99 PolarHBondContact O-N 3.25Å; L96-F100 HydrophobicContact CD2-CD2 4.15Å; L96-F100 HydrophobicContact CD2-CE2 4.13Å; L96-F100 WeakPolarHBondContact O-CB 3.47Å; L96-F100 WeakPolarHBondContact O-CD2 3.4Å; L96-F100 PolarHBondContact O-N 3.43Å; L96-T109 HydrophobicContact CB-CG2 4.03Å; L96-L112 HydrophobicContact CD1-CB 4.05Å |
| 97 | L | 90 | Very high | 89.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.8 | -36.7 | 177.1 | -73.7 | 169.2 | 0 | 0 | 0 | 112.7 | L7 I10 S93 Y94 F100 F104 F106 T109 | L7-L97 HydrophobicContact CB-CD1 3.98Å; L7-L97 HydrophobicContact CD2-CB 3.91Å; L7-L97 HydrophobicContact CD2-CD1 3.74Å; L7-L97 HydrophobicContact CD2-CG 4.48Å; L7-L97 HydrophobicContact CG-CD1 4.29Å; I10-L97 HydrophobicContact CD1-CB 3.88Å; I10-L97 WeakPolarHBondContact CD1-O 3.28Å; I10-L97 HydrophobicContact CG1-CB 4.16Å; S93-L97 PolarHBondContact O-N 2.92Å; Y94-L97 PolarHBondContact O-N 3.46Å; L97-F100 CarbonylContact O-C 3.58Å; L97-F104 WeakPolarHBondContact CD2-O 3.49Å; L97-F106 HydrophobicContact CD1-CD2 3.96Å; L97-T109 HydrophobicContact CD1-CG2 4.46Å; L97-T109 HydrophobicContact CD2-CG2 3.77Å; L97-T109 HydrophobicContact CG-CG2 3.68Å |
| 98 | S | 88.5 | Confident | 89.9 | Confident | 44 Ų | 44 | 26.9 Ų | 26.9 | 31% | 0.308 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -75.6 | -31.3 | -179.5 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | Y94 K95 L96 | Y94-S98 WeakPolarHBondContact O-CB 3.25Å; Y94-S98 PolarHBondContact O-N 2.89Å; Y94-S98 PolarHBondContact O-OG 2.76Å; K95-S98 WeakPolarHBondContact CA-OG 3.49Å; K95-S98 PolarHBondContact O-N 3.47Å; K95-S98 PolarHBondContact O-OG 3.48Å; L96-S98 VanDerWaalsContact C-N 3.29Å; L96-S98 PolarHBondContact O-N 2.92Å |
| 99 | L | 88.8 | Confident | 90 | Very high | 28 Ų | 28 | 25.8 Ų | 25.8 | 15% | 0.147 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -84.9 | -31 | -179.6 | -73.6 | 172.6 | 0 | 0 | 0 | 111.7 | K95 L96 E137 | K95-L99 HydrophobicContact CD-CD1 4.17Å; K95-L99 HydrophobicContact CD-CG 4.13Å; K95-L99 HydrophobicContact CG-CD1 3.59Å; K95-L99 HydrophobicContact CG-CG 4.02Å; K95-L99 VanDerWaalsContact O-CB 3.32Å; K95-L99 WeakPolarHBondContact O-CB 3.5Å; K95-L99 VanDerWaalsContact O-CG 3.27Å; K95-L99 WeakPolarHBondContact O-CG 3.41Å; K95-L99 PolarHBondContact O-N 3.01Å; L96-L99 PolarHBondContact O-N 3.25Å; L99-E137 HydrophobicContact CB-CG 4.31Å; L99-E137 HydrophobicContact CD1-CB 4.22Å; L99-E137 HydrophobicContact CD1-CG 3.58Å; L99-E137 HydrophobicContact CD2-CG 4.02Å; L99-E137 HydrophobicContact CG-CG 4.18Å |
| 100 | F | 90 | Very high | 90.1 | Very high | 17 Ų | 17 | 25.8 Ų | 25.8 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -127.7 | 69.9 | -176.3 | -52.8 | -71.3 | 0 | 0 | 0 | 109.5 | L96 L97 S103 F104 E137 R320 I346 | L96-F100 HydrophobicContact CD2-CD2 4.15Å; L96-F100 HydrophobicContact CD2-CE2 4.13Å; L96-F100 WeakPolarHBondContact O-CB 3.47Å; L96-F100 WeakPolarHBondContact O-CD2 3.4Å; L96-F100 PolarHBondContact O-N 3.43Å; L97-F100 CarbonylContact O-C 3.58Å; F100-S103 WeakPolarHBondContact O-CB 3.41Å; F100-S103 PolarHBondContact O-N 3.45Å; F100-S103 PolarHBondContact O-OG 2.91Å; F100-F104 HydrophobicContact CB-CD2 4.16Å; F100-F104 HydrophobicContact CB-CE2 3.88Å; F100-F104 HydrophobicContact CD2-CE2 4.06Å; F100-F104 HydrophobicContact CG-CE2 4.17Å; F100-E137 HydrophobicContact CE2-CG 4.39Å; F100-E137 HydrophobicContact CZ-CG 3.84Å; F100-R320 VanDerWaalsContact CE1-CZ 3.49Å; F100-I346 HydrophobicContact CB-CG2 4.17Å; F100-I346 HydrophobicContact CD1-CB 3.74Å; F100-I346 HydrophobicContact CD1-CD1 4.32Å; F100-I346 HydrophobicContact CD1-CG2 3.92Å; F100-I346 HydrophobicContact CE1-CB 3.96Å; F100-I346 HydrophobicContact CE1-CD1 3.93Å; F100-I346 HydrophobicContact CE1-CG1 4.39Å; F100-I346 HydrophobicContact CE2-CD1 4.45Å; F100-I346 HydrophobicContact CG-CB 4.41Å; F100-I346 HydrophobicContact CG-CG2 4.11Å; F100-I346 HydrophobicContact CZ-CD1 4.02Å |
| 101 | P | 88.4 | Confident | 90.5 | Very high | 40 Ų | 40 | 24.6 Ų | 24.6 | 26% | 0.26 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 143.9 | 179.6 | 27.6 | -34.7 | 0 | 0 | 0 | 110.1 | S103 | P101-S103 PolarHBondContact O-N 3.42Å; P101-S103 PolarHBondContact O-OG 3.03Å |
| 102 | F | 88.3 | Confident | 90.9 | Very high | 94 Ų | 94 | 21.9 Ų | 21.9 | 41% | 0.412 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 4.4 | 179.7 | -45.4 | -67.2 | 0 | 0 | 0 | 115.9 | K9 I10 R12 | K9-F102 WeakPolarHBondContact O-CE1 3.3Å; I10-F102 WeakPolarHBondContact O-CA 3.4Å; I10-F102 PolarHBondContact O-N 2.85Å; R12-F102 WeakPolarHBondContact CB-O 3.28Å; R12-F102 VanDerWaalsContact CG-O 3.25Å; R12-F102 WeakPolarHBondContact CG-O 3.19Å |
| 103 | S | 89.6 | Confident | 91 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -33.9 | -178.6 | -50 | 0 | 0 | 0 | 0 | 112 | F100 P101 G344 | F100-S103 WeakPolarHBondContact O-CB 3.41Å; F100-S103 PolarHBondContact O-N 3.45Å; F100-S103 PolarHBondContact O-OG 2.91Å; P101-S103 PolarHBondContact O-N 3.42Å; P101-S103 PolarHBondContact O-OG 3.03Å; S103-G344 WeakPolarHBondContact OG-CA 3.37Å |
| 104 | F | 91.8 | Very high | 91.3 | Very high | 3 Ų | 3 | 20.4 Ų | 20.4 | 1% | 0.013 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -125.9 | 143.8 | -173.6 | -57.6 | -71.8 | 0 | 0 | 0 | 112.1 | S11 R12 L97 F100 E108 T109 L112 I346 F348 I467 | S11-F104 WeakPolarHBondContact CA-O 3.38Å; R12-F104 PolarHBondContact N-O 3.33Å; L97-F104 WeakPolarHBondContact CD2-O 3.49Å; F100-F104 HydrophobicContact CB-CD2 4.16Å; F100-F104 HydrophobicContact CB-CE2 3.88Å; F100-F104 HydrophobicContact CD2-CE2 4.06Å; F100-F104 HydrophobicContact CG-CE2 4.17Å; F104-E108 HydrophobicContact CB-CB 4.37Å; F104-E108 HydrophobicContact CD1-CB 4.41Å; F104-T109 HydrophobicContact CB-CG2 3.34Å; F104-T109 HydrophobicContact CD2-CG2 4.22Å; F104-T109 HydrophobicContact CG-CG2 3.95Å; F104-L112 HydrophobicContact CD1-CD1 4Å; F104-L112 HydrophobicContact CE1-CD1 3.72Å; F104-L112 HydrophobicContact CZ-CD1 4.21Å; F104-I346 HydrophobicContact CE2-CG2 3.96Å; F104-I346 HydrophobicContact CZ-CG2 3.9Å; F104-F348 HydrophobicContact CE1-CB 4.07Å; F104-F348 AromaticContact CE1-CD1 3.74Å; F104-F348 HydrophobicContact CE1-CD1 3.74Å; F104-F348 AromaticContact CE1-CD2 3.7Å; F104-F348 HydrophobicContact CE1-CD2 3.7Å; F104-F348 HydrophobicContact CE1-CE1 4.12Å; F104-F348 HydrophobicContact CE1-CE2 4.09Å; F104-F348 AromaticContact CE1-CG 3.52Å; F104-F348 HydrophobicContact CE1-CG 3.52Å; F104-F348 HydrophobicContact CE1-CZ 4.3Å; F104-F348 HydrophobicContact CZ-CB 4.27Å; F104-F348 AromaticContact CZ-CD2 3.69Å; F104-F348 HydrophobicContact CZ-CD2 3.69Å; F104-F348 HydrophobicContact CZ-CE2 4.19Å; F104-F348 AromaticContact CZ-CG 3.89Å; F104-F348 HydrophobicContact CZ-CG 3.89Å; F104-I467 HydrophobicContact CD1-CD1 4.3Å; F104-I467 HydrophobicContact CE1-CD1 4.47Å |
| 105 | T | 91.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.085 | C | C | . | . | trans | -70 | 161.2 | 160.5 | 66.9 | 0 | 0 | 0 | 0 | 110 | R12 A15 G107 E108 T109 Q466 | R12-T105 HydrophobicContact CB-CG2 4.16Å; A15-T105 HydrophobicContact CB-CG2 3.9Å; T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 3.4Å; T105-E108 PolarHBondContact N-OE2 2.85Å; T105-E108 PolarHBondContact O-N 2.91Å; T105-E108 WeakPolarHBondContact OG1-CB 3.48Å; T105-E108 WeakPolarHBondContact OG1-CG 3.2Å; T105-E108 PolarHBondContact OG1-N 2.87Å; T105-E108 PolarHBondContact OG1-OE2 3.07Å; T105-T109 WeakPolarHBondContact O-CG2 3.32Å; T105-T109 PolarHBondContact O-N 2.92Å; T105-T109 VanDerWaalsContact O-N 3.13Å; T105-Q466 HydrophobicContact CG2-CG 4.4Å | ||
| 106 | F | 89.2 | Confident | 91.9 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 2% | 0.022 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58.9 | -43.7 | 178.7 | -171.9 | -104.1 | 0 | 0 | 0 | 112.6 | Y4 L7 L19 V48 T52 L97 T109 M110 | Y4-F106 AromaticContact CD1-CE2 3.64Å; Y4-F106 HydrophobicContact CD1-CE2 3.64Å; Y4-F106 AromaticContact CD1-CZ 3.66Å; Y4-F106 HydrophobicContact CD1-CZ 3.66Å; Y4-F106 AromaticContact CE1-CE2 3.57Å; Y4-F106 HydrophobicContact CE1-CE2 3.57Å; Y4-F106 AromaticContact CE1-CZ 3.45Å; Y4-F106 HydrophobicContact CE1-CZ 3.45Å; Y4-F106 VanDerWaalsContact CE1-CZ 3.45Å; L7-F106 HydrophobicContact CD1-CE2 4.33Å; L19-F106 HydrophobicContact CD1-CD1 3.53Å; L19-F106 HydrophobicContact CD1-CE1 3.42Å; L19-F106 VanDerWaalsContact CD1-CE1 3.42Å; V48-F106 HydrophobicContact CG1-CE1 3.54Å; V48-F106 HydrophobicContact CG1-CE2 4.46Å; V48-F106 HydrophobicContact CG1-CZ 3.25Å; T52-F106 HydrophobicContact CG2-CE1 4.01Å; T52-F106 HydrophobicContact CG2-CE2 4.38Å; T52-F106 HydrophobicContact CG2-CZ 3.6Å; L97-F106 HydrophobicContact CD1-CD2 3.96Å; F106-T109 PolarHBondContact O-N 3.5Å; F106-T109 PolarHBondContact O-OG1 2.65Å; F106-M110 HydrophobicContact CE1-CE 4.25Å; F106-M110 HydrophobicContact CZ-CE 4.47Å; F106-M110 PolarHBondContact O-N 3.45Å; F106-M110 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 91.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | S17 G18 T105 T109 M110 L111 | S17-G107 WeakPolarHBondContact O-CA 3.09Å; S17-G107 PolarHBondContact O-N 3.29Å; G18-G107 VanDerWaalsContact O-CA 3.27Å; G18-G107 WeakPolarHBondContact O-CA 3.32Å; T105-G107 VanDerWaalsContact C-N 3.31Å; T105-G107 PolarHBondContact O-N 3.4Å; G107-T109 VanDerWaalsContact C-N 3.33Å; G107-T109 PolarHBondContact O-N 3.12Å; G107-M110 WeakPolarHBondContact O-CB 3.3Å; G107-M110 PolarHBondContact O-N 2.92Å; G107-M110 VanDerWaalsContact O-N 3.15Å; G107-L111 WeakPolarHBondContact O-CB 3.22Å; G107-L111 PolarHBondContact O-N 3.15Å |
| 108 | E | 94 | Very high | 91.9 | Very high | 3 Ų | 3 | 14.8 Ų | 14.8 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.5 | -72.2 | 162.3 | 166.2 | 0 | 0 | 110.8 | R12 L21 F104 T105 M110 L111 L112 Q466 I467 | R12-E108 IonicContact CZ-OE1 2.73Å; R12-E108 IonicContact NH1-OE1 3.56Å; R12-E108 PolarHBondContact NH1-OE1 3.29Å; R12-E108 VanDerWaalsContact NH1-OE1 3.08Å; R12-E108 IonicContact NH1-OE2 3.31Å; R12-E108 PolarHBondContact NH1-OE2 2.97Å; R12-E108 IonicContact NH2-OE1 2.6Å; L21-E108 HydrophobicContact CD1-CG 3.91Å; F104-E108 HydrophobicContact CB-CB 4.37Å; F104-E108 HydrophobicContact CD1-CB 4.41Å; T105-E108 PolarHBondContact N-OE2 2.85Å; T105-E108 PolarHBondContact O-N 2.91Å; T105-E108 WeakPolarHBondContact OG1-CB 3.48Å; T105-E108 WeakPolarHBondContact OG1-CG 3.2Å; T105-E108 PolarHBondContact OG1-N 2.87Å; T105-E108 PolarHBondContact OG1-OE2 3.07Å; E108-M110 VanDerWaalsContact C-N 3.28Å; E108-M110 PolarHBondContact O-N 3.43Å; E108-L111 PolarHBondContact O-N 3.43Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 VanDerWaalsContact O-CG 3.26Å; E108-L112 WeakPolarHBondContact O-CG 3.11Å; E108-L112 PolarHBondContact O-N 3.3Å; E108-Q466 HydrophobicContact CG-CB 4.26Å; E108-Q466 HydrophobicContact CG-CG 4.39Å; E108-Q466 VanDerWaalsContact OE1-CA 3.25Å; E108-Q466 WeakPolarHBondContact OE1-CA 3.27Å; E108-Q466 VanDerWaalsContact OE1-CB 3.28Å; E108-Q466 WeakPolarHBondContact OE1-CB 3.32Å; E108-I467 HydrophobicContact CB-CD1 4.28Å; E108-I467 VanDerWaalsContact CD-CD1 3.43Å; E108-I467 HydrophobicContact CG-CD1 3.83Å; E108-I467 HydrophobicContact CG-CG1 4.44Å; E108-I467 WeakPolarHBondContact OE1-CD1 3.49Å; E108-I467 VanDerWaalsContact OE1-CG1 3.27Å; E108-I467 WeakPolarHBondContact OE1-CG1 3.38Å; E108-I467 PolarHBondContact OE1-N 3.21Å |
| 109 | T | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.4 | -27.7 | 175.9 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | S93 L96 L97 F104 T105 F106 G107 A113 | S93-T109 PolarHBondContact OG-O 3.47Å; L96-T109 HydrophobicContact CB-CG2 4.03Å; L97-T109 HydrophobicContact CD1-CG2 4.46Å; L97-T109 HydrophobicContact CD2-CG2 3.77Å; L97-T109 HydrophobicContact CG-CG2 3.68Å; F104-T109 HydrophobicContact CB-CG2 3.34Å; F104-T109 HydrophobicContact CD2-CG2 4.22Å; F104-T109 HydrophobicContact CG-CG2 3.95Å; T105-T109 WeakPolarHBondContact O-CG2 3.32Å; T105-T109 PolarHBondContact O-N 2.92Å; T105-T109 VanDerWaalsContact O-N 3.13Å; F106-T109 PolarHBondContact O-N 3.5Å; F106-T109 PolarHBondContact O-OG1 2.65Å; G107-T109 VanDerWaalsContact C-N 3.33Å; G107-T109 PolarHBondContact O-N 3.12Å; T109-A113 VanDerWaalsContact O-CB 3.29Å; T109-A113 WeakPolarHBondContact O-CB 3.27Å; T109-A113 PolarHBondContact O-N 3Å; T109-A113 VanDerWaalsContact O-N 3.15Å |
| 110 | M | 92.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 14.6 Ų | 14.6 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.8 | -49.8 | 172.7 | -168.2 | 65.4 | 68.5 | 0 | 0 | 110.7 | V48 V89 F106 G107 E108 L112 A113 H114 | V48-M110 HydrophobicContact CB-CE 3.54Å; V48-M110 HydrophobicContact CG1-CE 3.37Å; V48-M110 HydrophobicContact CG2-CE 3.27Å; V48-M110 HydrophobicContact CG2-SD 4.09Å; V89-M110 HydrophobicContact CG1-SD 3.33Å; V89-M110 WeakPolarHBondContact CG1-SD 3.37Å; F106-M110 HydrophobicContact CE1-CE 4.25Å; F106-M110 HydrophobicContact CZ-CE 4.47Å; F106-M110 PolarHBondContact O-N 3.45Å; F106-M110 VanDerWaalsContact O-N 3.12Å; G107-M110 WeakPolarHBondContact O-CB 3.3Å; G107-M110 PolarHBondContact O-N 2.92Å; G107-M110 VanDerWaalsContact O-N 3.15Å; E108-M110 VanDerWaalsContact C-N 3.28Å; E108-M110 PolarHBondContact O-N 3.43Å; M110-L112 VanDerWaalsContact C-N 3.34Å; M110-L112 PolarHBondContact O-N 2.99Å; M110-A113 PolarHBondContact O-N 2.82Å; M110-A113 VanDerWaalsContact O-N 3.16Å; M110-H114 PolarHBondContact O-N 2.78Å |
| 111 | L | 95.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 178.6 | 176.7 | 60.9 | 0 | 0 | 0 | 110.9 | L21 I24 V25 G107 E108 A113 H114 L115 L470 V471 L474 | L21-L111 HydrophobicContact CB-CB 4.25Å; L21-L111 HydrophobicContact CB-CD2 4.5Å; I24-L111 HydrophobicContact CB-CD1 4.19Å; I24-L111 HydrophobicContact CG2-CD1 4.38Å; V25-L111 HydrophobicContact CG2-CD1 4.03Å; G107-L111 WeakPolarHBondContact O-CB 3.22Å; G107-L111 PolarHBondContact O-N 3.15Å; E108-L111 PolarHBondContact O-N 3.43Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.43Å; L111-H114 PolarHBondContact O-N 2.85Å; L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 4.17Å; L111-L115 HydrophobicContact CG-CD1 3.94Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.27Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 2.91Å; L111-L470 HydrophobicContact CD2-CD2 4.24Å; L111-L470 HydrophobicContact CD2-CG 4.44Å; L111-V471 HydrophobicContact CD2-CG2 3.93Å; L111-L474 HydrophobicContact CD1-CD1 4.14Å; L111-L474 HydrophobicContact CD2-CD1 4.31Å |
| 112 | L | 95.6 | Very high | 91.1 | Very high | 14 Ų | 14 | 17.1 Ų | 17.1 | 7% | 0.073 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.5 | -36.5 | 177.8 | -68.2 | 172.5 | 0 | 0 | 0 | 112.5 | L96 F104 E108 M110 S116 F348 L355 L470 | L96-L112 HydrophobicContact CD1-CB 4.05Å; F104-L112 HydrophobicContact CD1-CD1 4Å; F104-L112 HydrophobicContact CE1-CD1 3.72Å; F104-L112 HydrophobicContact CZ-CD1 4.21Å; E108-L112 WeakPolarHBondContact O-CB 3.46Å; E108-L112 VanDerWaalsContact O-CG 3.26Å; E108-L112 WeakPolarHBondContact O-CG 3.11Å; E108-L112 PolarHBondContact O-N 3.3Å; M110-L112 VanDerWaalsContact C-N 3.34Å; M110-L112 PolarHBondContact O-N 2.99Å; L112-S116 VanDerWaalsContact O-CB 3.28Å; L112-S116 WeakPolarHBondContact O-CB 3.45Å; L112-S116 PolarHBondContact O-N 3.42Å; L112-S116 PolarHBondContact O-OG 3.39Å; L112-F348 HydrophobicContact CD1-CE1 4.32Å; L112-F348 HydrophobicContact CD1-CE2 4.14Å; L112-F348 HydrophobicContact CD1-CZ 3.79Å; L112-F348 HydrophobicContact CD2-CE1 4.32Å; L112-F348 HydrophobicContact CD2-CE2 4.3Å; L112-F348 HydrophobicContact CD2-CZ 3.54Å; L112-F348 HydrophobicContact CG-CZ 4.3Å; L112-L355 HydrophobicContact CD2-CD1 4.45Å; L112-L470 HydrophobicContact CD2-CD2 3.91Å |
| 113 | A | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.1 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F88 V89 F92 S93 T109 M110 L111 S116 A117 | F88-A113 WeakPolarHBondContact CE1-O 3.42Å; V89-A113 HydrophobicContact CG1-CB 4.29Å; F92-A113 HydrophobicContact CB-CB 4.44Å; F92-A113 HydrophobicContact CD1-CB 3.74Å; S93-A113 VanDerWaalsContact OG-CB 3.29Å; S93-A113 WeakPolarHBondContact OG-CB 3.46Å; T109-A113 VanDerWaalsContact O-CB 3.29Å; T109-A113 WeakPolarHBondContact O-CB 3.27Å; T109-A113 PolarHBondContact O-N 3Å; T109-A113 VanDerWaalsContact O-N 3.15Å; M110-A113 PolarHBondContact O-N 2.82Å; M110-A113 VanDerWaalsContact O-N 3.16Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 3.43Å; A113-S116 PolarHBondContact O-N 3.46Å; A113-A117 WeakPolarHBondContact O-CB 3.33Å; A113-A117 PolarHBondContact O-N 2.98Å |
| 114 | H | 95.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.6 | -49.1 | 174.3 | -70.6 | 175.7 | 0 | 0 | 0 | 112.2 | G22 V25 F41 S44 V45 M110 L111 S116 A117 V118 | G22-H114 PolarHBondContact O-CE1 3.43Å; G22-H114 PolarHBondContact O-ND1 3.08Å; V25-H114 HydrophobicContact CB-CB 3.67Å; V25-H114 HydrophobicContact CG1-CB 3.83Å; V25-H114 HydrophobicContact CG2-CB 3.63Å; F41-H114 HydrophobicContact CD1-CB 4.17Å; F41-H114 AromaticContact CD1-CD2 3.35Å; F41-H114 WeakPolarHBondContact CD1-CD2 3.46Å; F41-H114 AromaticContact CD1-CG 3.81Å; F41-H114 AromaticContact CD1-NE2 3.8Å; F41-H114 HydrophobicContact CE1-CB 4.27Å; F41-H114 AromaticContact CE1-CD2 3.88Å; S44-H114 PolarHBondContact OG-NE2 2.92Å; V45-H114 VanDerWaalsContact CG2-CE1 3.48Å; V45-H114 WeakPolarHBondContact CG2-CE1 3.18Å; M110-H114 PolarHBondContact O-N 2.78Å; L111-H114 PolarHBondContact O-N 2.85Å; H114-S116 VanDerWaalsContact C-N 3.32Å; H114-S116 PolarHBondContact O-N 3.25Å; H114-A117 PolarHBondContact O-N 3.1Å; H114-V118 WeakPolarHBondContact O-CG2 3.24Å; H114-V118 PolarHBondContact O-N 3.35Å |
| 115 | L | 95.3 | Very high | 89 | Confident | 19 Ų | 19 | 24.2 Ų | 24.2 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 177.9 | -70.5 | 170.5 | 0 | 0 | 0 | 111.5 | V25 L111 A117 V118 F119 I359 W363 L470 L474 | V25-L115 HydrophobicContact CG2-CD2 3.76Å; V25-L115 HydrophobicContact CG2-CG 4.02Å; L111-L115 HydrophobicContact CD1-CD1 4.01Å; L111-L115 HydrophobicContact CD1-CG 4.17Å; L111-L115 HydrophobicContact CG-CD1 3.94Å; L111-L115 WeakPolarHBondContact O-CB 3.44Å; L111-L115 VanDerWaalsContact O-CG 3.27Å; L111-L115 WeakPolarHBondContact O-CG 3.38Å; L111-L115 PolarHBondContact O-N 2.91Å; L115-A117 PolarHBondContact O-N 3.37Å; L115-V118 PolarHBondContact O-N 3.4Å; L115-F119 PolarHBondContact O-N 2.84Å; L115-I359 HydrophobicContact CD1-CD1 3.72Å; L115-I359 HydrophobicContact CD2-CD1 3.99Å; L115-I359 HydrophobicContact CD2-CG2 4.27Å; L115-I359 HydrophobicContact CG-CD1 4.38Å; L115-W363 HydrophobicContact CD2-CZ3 3.99Å; L115-L470 HydrophobicContact CD1-CD1 4.38Å; L115-L470 HydrophobicContact CD1-CD2 4.31Å; L115-L474 HydrophobicContact CD1-CD1 4.14Å; L115-L474 HydrophobicContact CD2-CD1 4.49Å |
| 116 | S | 93.5 | Very high | 88.5 | Confident | 26 Ų | 26 | 25.2 Ų | 25.2 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 176.7 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | L112 A113 H114 F119 L120 | L112-S116 VanDerWaalsContact O-CB 3.28Å; L112-S116 WeakPolarHBondContact O-CB 3.45Å; L112-S116 PolarHBondContact O-N 3.42Å; L112-S116 PolarHBondContact O-OG 3.39Å; A113-S116 PolarHBondContact O-N 3.46Å; H114-S116 VanDerWaalsContact C-N 3.32Å; H114-S116 PolarHBondContact O-N 3.25Å; S116-F119 PolarHBondContact O-N 3.43Å; S116-L120 WeakPolarHBondContact O-CB 3.13Å; S116-L120 WeakPolarHBondContact O-CG 3.31Å; S116-L120 PolarHBondContact O-N 3.19Å |
| 117 | A | 92 | Very high | 88.1 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F41 F88 A113 H114 L115 F119 L120 F121 | F41-A117 HydrophobicContact CE1-CB 3.56Å; F41-A117 HydrophobicContact CZ-CB 3.54Å; F88-A117 HydrophobicContact CD1-CB 3.7Å; F88-A117 HydrophobicContact CE1-CB 3.69Å; A113-A117 WeakPolarHBondContact O-CB 3.33Å; A113-A117 PolarHBondContact O-N 2.98Å; H114-A117 PolarHBondContact O-N 3.1Å; L115-A117 PolarHBondContact O-N 3.37Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 3.03Å; A117-L120 PolarHBondContact O-N 2.94Å; A117-F121 HydrophobicContact CB-CE2 4.23Å; A117-F121 WeakPolarHBondContact O-CD2 3.36Å; A117-F121 VanDerWaalsContact O-CG 3.32Å; A117-F121 WeakPolarHBondContact O-CG 3.37Å; A117-F121 PolarHBondContact O-N 3.48Å |
| 118 | V | 90.8 | Very high | 87.7 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 4% | 0.042 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | V25 L29 F41 H114 L115 F121 T122 W363 P364 | V25-V118 HydrophobicContact CG1-CG2 3.66Å; L29-V118 HydrophobicContact CD1-CG2 4.05Å; L29-V118 HydrophobicContact CD2-CG2 4.43Å; F41-V118 HydrophobicContact CD2-CG2 4.42Å; F41-V118 HydrophobicContact CE2-CG2 3.63Å; F41-V118 HydrophobicContact CZ-CG2 3.72Å; H114-V118 WeakPolarHBondContact O-CG2 3.24Å; H114-V118 PolarHBondContact O-N 3.35Å; L115-V118 PolarHBondContact O-N 3.4Å; V118-F121 PolarHBondContact O-N 2.9Å; V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 3.04Å; V118-T122 PolarHBondContact O-OG1 3.33Å; V118-W363 HydrophobicContact CG1-CH2 4.33Å; V118-W363 HydrophobicContact CG1-CZ3 4.41Å; V118-P364 HydrophobicContact CG1-CG 3.85Å |
| 119 | F | 88.3 | Confident | 87.3 | Confident | 45 Ų | 45 | 28.9 Ų | 28.9 | 20% | 0.197 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -39.7 | 179.3 | -159.4 | -125.6 | 0 | 0 | 0 | 112.1 | L115 S116 A117 F121 T122 E123 F126 | L115-F119 PolarHBondContact O-N 2.84Å; S116-F119 PolarHBondContact O-N 3.43Å; A117-F119 VanDerWaalsContact C-N 3.28Å; A117-F119 PolarHBondContact O-N 3.03Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F119-F121 PolarHBondContact O-N 3.31Å; F119-T122 PolarHBondContact O-N 2.76Å; F119-E123 HydrophobicContact CD2-CB 4.45Å; F119-E123 HydrophobicContact CD2-CG 4.12Å; F119-E123 HydrophobicContact CE2-CB 4.21Å; F119-E123 HydrophobicContact CE2-CG 3.69Å; F119-E123 HydrophobicContact CZ-CB 4.3Å; F119-E123 HydrophobicContact CZ-CG 4.12Å; F119-E123 WeakPolarHBondContact O-CA 3.26Å; F119-E123 PolarHBondContact O-N 3.45Å; F119-F126 HydrophobicContact CD1-CB 3.85Å; F119-F126 AromaticContact CD1-CD1 3.22Å; F119-F126 HydrophobicContact CD1-CD1 3.22Å; F119-F126 AromaticContact CD1-CD2 3.72Å; F119-F126 HydrophobicContact CD1-CD2 3.72Å; F119-F126 AromaticContact CD1-CE1 3.55Å; F119-F126 HydrophobicContact CD1-CE1 3.55Å; F119-F126 HydrophobicContact CD1-CE2 4Å; F119-F126 AromaticContact CD1-CG 3.28Å; F119-F126 HydrophobicContact CD1-CG 3.28Å; F119-F126 AromaticContact CD1-CZ 3.92Å; F119-F126 HydrophobicContact CD1-CZ 3.92Å; F119-F126 HydrophobicContact CE1-CB 3.69Å; F119-F126 AromaticContact CE1-CD1 3.74Å; F119-F126 HydrophobicContact CE1-CD1 3.74Å; F119-F126 AromaticContact CE1-CD2 3.28Å; F119-F126 HydrophobicContact CE1-CD2 3.28Å; F119-F126 HydrophobicContact CE1-CE1 4.13Å; F119-F126 AromaticContact CE1-CE2 3.71Å; F119-F126 HydrophobicContact CE1-CE2 3.71Å; F119-F126 AromaticContact CE1-CG 3.25Å; F119-F126 HydrophobicContact CE1-CG 3.25Å; F119-F126 HydrophobicContact CE1-CZ 4.11Å; F119-F126 HydrophobicContact CG-CD1 4.27Å; F119-F126 HydrophobicContact CG-CG 4.48Å; F119-F126 HydrophobicContact CZ-CD2 4.43Å; F119-F126 HydrophobicContact CZ-CG 4.44Å |
| 120 | L | 86.6 | Confident | 87 | Confident | 23 Ų | 23 | 30.3 Ų | 30.3 | 12% | 0.12 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -36.8 | 173.6 | -71.1 | 169.9 | 0 | 0 | 0 | 113.1 | F88 S116 A117 F126 A127 F130 | F88-L120 HydrophobicContact CD2-CD1 4.44Å; F88-L120 HydrophobicContact CE1-CD1 4.3Å; F88-L120 HydrophobicContact CE2-CD1 3.53Å; F88-L120 HydrophobicContact CZ-CD1 3.44Å; F88-L120 VanDerWaalsContact CZ-CD1 3.44Å; S116-L120 WeakPolarHBondContact O-CB 3.13Å; S116-L120 WeakPolarHBondContact O-CG 3.31Å; S116-L120 PolarHBondContact O-N 3.19Å; A117-L120 PolarHBondContact O-N 2.94Å; L120-F126 HydrophobicContact CD2-CD1 3.94Å; L120-F126 HydrophobicContact CG-CD1 4.43Å; L120-A127 HydrophobicContact CD2-CB 3.9Å; L120-F130 HydrophobicContact CD1-CD1 4.05Å; L120-F130 HydrophobicContact CD1-CE1 4.12Å; L120-F130 HydrophobicContact CD1-CG 4.26Å; L120-F130 HydrophobicContact CD1-CZ 4.37Å; L120-F130 HydrophobicContact CD2-CB 3.86Å; L120-F130 HydrophobicContact CD2-CD1 4.19Å; L120-F130 HydrophobicContact CD2-CG 3.98Å |
| 121 | F | 83.7 | Confident | 86.7 | Confident | 60 Ų | 60 | 34.4 Ų | 34.4 | 26% | 0.263 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -76 | -31.5 | 177.2 | -66.6 | -42.8 | 0 | 0 | 0 | 113.3 | L37 F41 R81 F84 T85 A117 V118 F119 | L37-F121 HydrophobicContact CD2-CD2 4.18Å; F41-F121 HydrophobicContact CE2-CD2 4.48Å; F41-F121 HydrophobicContact CE2-CE2 4.42Å; F41-F121 HydrophobicContact CZ-CD2 4.23Å; F41-F121 AromaticContact CZ-CE2 3.98Å; F41-F121 HydrophobicContact CZ-CE2 3.98Å; R81-F121 HydrophobicContact CG-CE1 4.29Å; R81-F121 HydrophobicContact CG-CZ 4.37Å; F84-F121 AromaticContact CD1-CE1 3.73Å; F84-F121 HydrophobicContact CD1-CE1 3.73Å; F84-F121 AromaticContact CD1-CZ 3.75Å; F84-F121 HydrophobicContact CD1-CZ 3.75Å; F84-F121 AromaticContact CE1-CE1 3.77Å; F84-F121 HydrophobicContact CE1-CE1 3.77Å; F84-F121 AromaticContact CE1-CZ 3.97Å; F84-F121 HydrophobicContact CE1-CZ 3.97Å; T85-F121 HydrophobicContact CG2-CE2 4.21Å; T85-F121 WeakPolarHBondContact OG1-CE2 3.43Å; T85-F121 WeakPolarHBondContact OG1-CZ 3.31Å; A117-F121 HydrophobicContact CB-CE2 4.23Å; A117-F121 WeakPolarHBondContact O-CD2 3.36Å; A117-F121 VanDerWaalsContact O-CG 3.32Å; A117-F121 WeakPolarHBondContact O-CG 3.37Å; A117-F121 PolarHBondContact O-N 3.48Å; V118-F121 PolarHBondContact O-N 2.9Å; F119-F121 VanDerWaalsContact C-N 3.32Å; F119-F121 PolarHBondContact O-N 3.31Å |
| 122 | T | 79.4 | Confident | 86.3 | Confident | 51 Ų | 51 | 35.4 Ų | 35.4 | 31% | 0.313 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -84.7 | -42.7 | -178.1 | -49.3 | 0 | 0 | 0 | 0 | 111.1 | V118 F119 P364 | V118-T122 WeakPolarHBondContact O-CB 3.46Å; V118-T122 PolarHBondContact O-N 3.04Å; V118-T122 PolarHBondContact O-OG1 3.33Å; F119-T122 PolarHBondContact O-N 2.76Å; T122-P364 HydrophobicContact CG2-CB 4.01Å; T122-P364 HydrophobicContact CG2-CG 3.84Å; T122-P364 VanDerWaalsContact OG1-CG 3.27Å; T122-P364 WeakPolarHBondContact OG1-CG 3.36Å |
| 123 | E | 79.2 | Confident | 85.9 | Confident | 82 Ų | 82 | 37.1 Ų | 37.1 | 38% | 0.383 | 21% | 0.205 | S | C | . | . | trans | -119.9 | 86.5 | -173 | -63.2 | -57.9 | 152.8 | 0 | 0 | 110.5 | F119 N125 F126 | F119-E123 HydrophobicContact CD2-CB 4.45Å; F119-E123 HydrophobicContact CD2-CG 4.12Å; F119-E123 HydrophobicContact CE2-CB 4.21Å; F119-E123 HydrophobicContact CE2-CG 3.69Å; F119-E123 HydrophobicContact CZ-CB 4.3Å; F119-E123 HydrophobicContact CZ-CG 4.12Å; F119-E123 WeakPolarHBondContact O-CA 3.26Å; F119-E123 PolarHBondContact O-N 3.45Å; E123-N125 PolarHBondContact O-N 2.95Å; E123-N125 VanDerWaalsContact O-N 3.09Å; E123-F126 HydrophobicContact CB-CB 4.22Å; E123-F126 VanDerWaalsContact O-CB 3.25Å; E123-F126 WeakPolarHBondContact O-CB 3.39Å; E123-F126 PolarHBondContact O-N 3.17Å | ||
| 124 | C | 72.7 | Confident | 85.6 | Confident | 95 Ų | 95 | 39.3 Ų | 39.3 | 64% | 0.642 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -56.6 | -30 | -179.1 | -69.7 | 0 | 0 | 0 | 0 | 113 | F126 A127 | C124-F126 PolarHBondContact O-N 3.21Å; C124-A127 VanDerWaalsContact O-CB 3.27Å; C124-A127 WeakPolarHBondContact O-CB 3.15Å; C124-A127 PolarHBondContact O-N 3.22Å; C124-A127 VanDerWaalsContact O-N 3.1Å |
| 125 | N | 74.5 | Confident | 85.3 | Confident | 73 Ų | 73 | 42.3 Ų | 42.3 | 39% | 0.39 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -63.4 | -23.3 | 176.3 | -72.3 | -20.3 | 0 | 0 | 0 | 112.8 | E123 A127 P129 | E123-N125 PolarHBondContact O-N 2.95Å; E123-N125 VanDerWaalsContact O-N 3.09Å; N125-A127 VanDerWaalsContact C-N 3.34Å; N125-P129 WeakPolarHBondContact O-CD 3.32Å |
| 126 | F | 79.3 | Confident | 85.1 | Confident | 23 Ų | 23 | 41.9 Ų | 41.9 | 10% | 0.101 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -78.2 | -18.9 | 176.6 | -172.4 | -104.2 | 0 | 0 | 0 | 113.4 | F119 L120 E123 C124 L128 P129 F130 W313 | F119-F126 HydrophobicContact CD1-CB 3.85Å; F119-F126 AromaticContact CD1-CD1 3.22Å; F119-F126 HydrophobicContact CD1-CD1 3.22Å; F119-F126 AromaticContact CD1-CD2 3.72Å; F119-F126 HydrophobicContact CD1-CD2 3.72Å; F119-F126 AromaticContact CD1-CE1 3.55Å; F119-F126 HydrophobicContact CD1-CE1 3.55Å; F119-F126 HydrophobicContact CD1-CE2 4Å; F119-F126 AromaticContact CD1-CG 3.28Å; F119-F126 HydrophobicContact CD1-CG 3.28Å; F119-F126 AromaticContact CD1-CZ 3.92Å; F119-F126 HydrophobicContact CD1-CZ 3.92Å; F119-F126 HydrophobicContact CE1-CB 3.69Å; F119-F126 AromaticContact CE1-CD1 3.74Å; F119-F126 HydrophobicContact CE1-CD1 3.74Å; F119-F126 AromaticContact CE1-CD2 3.28Å; F119-F126 HydrophobicContact CE1-CD2 3.28Å; F119-F126 HydrophobicContact CE1-CE1 4.13Å; F119-F126 AromaticContact CE1-CE2 3.71Å; F119-F126 HydrophobicContact CE1-CE2 3.71Å; F119-F126 AromaticContact CE1-CG 3.25Å; F119-F126 HydrophobicContact CE1-CG 3.25Å; F119-F126 HydrophobicContact CE1-CZ 4.11Å; F119-F126 HydrophobicContact CG-CD1 4.27Å; F119-F126 HydrophobicContact CG-CG 4.48Å; F119-F126 HydrophobicContact CZ-CD2 4.43Å; F119-F126 HydrophobicContact CZ-CG 4.44Å; L120-F126 HydrophobicContact CD2-CD1 3.94Å; L120-F126 HydrophobicContact CG-CD1 4.43Å; E123-F126 HydrophobicContact CB-CB 4.22Å; E123-F126 VanDerWaalsContact O-CB 3.25Å; E123-F126 WeakPolarHBondContact O-CB 3.39Å; E123-F126 PolarHBondContact O-N 3.17Å; C124-F126 PolarHBondContact O-N 3.21Å; F126-L128 PolarHBondContact O-N 3.01Å; F126-P129 HydrophobicContact CD2-CB 4.38Å; F126-P129 WeakPolarHBondContact O-CD 3.39Å; F126-F130 HydrophobicContact CD1-CB 4.05Å; F126-F130 HydrophobicContact CE1-CB 3.8Å; F126-F130 AromaticContact CE1-CD2 3.96Å; F126-F130 HydrophobicContact CE1-CD2 3.96Å; F126-F130 HydrophobicContact CE1-CG 4.31Å; F126-F130 HydrophobicContact CZ-CB 4.4Å; F126-F130 VanDerWaalsContact O-CB 3.28Å; F126-F130 WeakPolarHBondContact O-CB 3.37Å; F126-F130 PolarHBondContact O-N 3.02Å; F126-W313 AromaticContact CE2-CH2 3.41Å; F126-W313 HydrophobicContact CE2-CH2 3.41Å; F126-W313 VanDerWaalsContact CE2-CH2 3.41Å; F126-W313 AromaticContact CE2-CZ3 3.69Å; F126-W313 HydrophobicContact CE2-CZ3 3.69Å; F126-W313 AromaticContact CZ-CH2 3.34Å; F126-W313 HydrophobicContact CZ-CH2 3.34Å; F126-W313 HydrophobicContact CZ-CZ2 4.24Å; F126-W313 AromaticContact CZ-CZ3 3.99Å; F126-W313 HydrophobicContact CZ-CZ3 3.99Å |
| 127 | A | 82.1 | Confident | 84.9 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.5 | -37.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L120 C124 N125 L131 | L120-A127 HydrophobicContact CD2-CB 3.9Å; C124-A127 VanDerWaalsContact O-CB 3.27Å; C124-A127 WeakPolarHBondContact O-CB 3.15Å; C124-A127 PolarHBondContact O-N 3.22Å; C124-A127 VanDerWaalsContact O-N 3.1Å; N125-A127 VanDerWaalsContact C-N 3.34Å; A127-L131 VanDerWaalsContact O-CB 3.31Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 PolarHBondContact O-N 3.44Å |
| 128 | L | 83.3 | Confident | 84.7 | Confident | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -73.8 | -52 | 179.6 | -178.3 | 68 | 0 | 0 | 0 | 113.3 | F126 F130 L131 I132 L155 L158 T159 | F126-L128 PolarHBondContact O-N 3.01Å; L128-F130 VanDerWaalsContact C-N 3.25Å; L128-F130 PolarHBondContact O-N 2.87Å; L128-L131 PolarHBondContact O-N 2.9Å; L128-I132 HydrophobicContact CD1-CD1 4Å; L128-I132 HydrophobicContact CD1-CG1 4.16Å; L128-I132 HydrophobicContact CG-CD1 4.01Å; L128-I132 HydrophobicContact CG-CG1 4.5Å; L128-I132 WeakPolarHBondContact O-CG1 3.46Å; L128-I132 PolarHBondContact O-N 3.02Å; L128-L155 HydrophobicContact CD2-CD2 3.96Å; L128-L155 HydrophobicContact CG-CD2 3.91Å; L128-L158 HydrophobicContact CD1-CD2 3.36Å; L128-L158 HydrophobicContact CD1-CG 4.28Å; L128-L158 HydrophobicContact CD2-CB 3.53Å; L128-L158 HydrophobicContact CD2-CD2 3.6Å; L128-L158 HydrophobicContact CD2-CG 3.62Å; L128-L158 HydrophobicContact CG-CD2 4.07Å; L128-T159 HydrophobicContact CD2-CG2 4.06Å |
| 129 | P | 84.6 | Confident | 84.7 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 16% | 0.156 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -48.3 | -48.3 | 169.1 | -27.7 | 31.8 | 0 | 0 | 0 | 112.6 | N125 F126 L131 I132 L133 L155 | N125-P129 WeakPolarHBondContact O-CD 3.32Å; F126-P129 HydrophobicContact CD2-CB 4.38Å; F126-P129 WeakPolarHBondContact O-CD 3.39Å; P129-L131 PolarHBondContact O-N 3.36Å; P129-I132 PolarHBondContact O-N 3.17Å; P129-L133 WeakPolarHBondContact O-CB 3.5Å; P129-L133 WeakPolarHBondContact O-CD1 3.41Å; P129-L133 WeakPolarHBondContact O-CG 3.24Å; P129-L133 PolarHBondContact O-N 2.88Å; P129-L155 HydrophobicContact CB-CD2 4.32Å; P129-L155 HydrophobicContact CG-CD2 3.91Å |
| 130 | F | 87.1 | Confident | 84.7 | Confident | 30 Ų | 30 | 55.2 Ų | 55.2 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 178 | 179.9 | -89.8 | 0 | 0 | 0 | 112.2 | F88 F92 L120 F126 L128 I132 L133 F134 | F88-F130 AromaticContact CE2-CE1 3.7Å; F88-F130 HydrophobicContact CE2-CE1 3.7Å; F88-F130 AromaticContact CE2-CZ 3.76Å; F88-F130 HydrophobicContact CE2-CZ 3.76Å; F88-F130 AromaticContact CZ-CE1 3.97Å; F88-F130 HydrophobicContact CZ-CE1 3.97Å; F88-F130 HydrophobicContact CZ-CE2 4.27Å; F88-F130 AromaticContact CZ-CZ 3.55Å; F88-F130 HydrophobicContact CZ-CZ 3.55Å; F92-F130 AromaticContact CD2-CZ 3.84Å; F92-F130 HydrophobicContact CD2-CZ 3.84Å; F92-F130 HydrophobicContact CE1-CE2 4.22Å; F92-F130 HydrophobicContact CE1-CZ 4.28Å; F92-F130 AromaticContact CE2-CE2 3.9Å; F92-F130 HydrophobicContact CE2-CE2 3.9Å; F92-F130 AromaticContact CE2-CZ 3.52Å; F92-F130 HydrophobicContact CE2-CZ 3.52Å; F92-F130 HydrophobicContact CG-CZ 4.37Å; F92-F130 AromaticContact CZ-CE2 3.68Å; F92-F130 HydrophobicContact CZ-CE2 3.68Å; F92-F130 AromaticContact CZ-CZ 3.75Å; F92-F130 HydrophobicContact CZ-CZ 3.75Å; L120-F130 HydrophobicContact CD1-CD1 4.05Å; L120-F130 HydrophobicContact CD1-CE1 4.12Å; L120-F130 HydrophobicContact CD1-CG 4.26Å; L120-F130 HydrophobicContact CD1-CZ 4.37Å; L120-F130 HydrophobicContact CD2-CB 3.86Å; L120-F130 HydrophobicContact CD2-CD1 4.19Å; L120-F130 HydrophobicContact CD2-CG 3.98Å; F126-F130 HydrophobicContact CD1-CB 4.05Å; F126-F130 HydrophobicContact CE1-CB 3.8Å; F126-F130 AromaticContact CE1-CD2 3.96Å; F126-F130 HydrophobicContact CE1-CD2 3.96Å; F126-F130 HydrophobicContact CE1-CG 4.31Å; F126-F130 HydrophobicContact CZ-CB 4.4Å; F126-F130 VanDerWaalsContact O-CB 3.28Å; F126-F130 WeakPolarHBondContact O-CB 3.37Å; F126-F130 PolarHBondContact O-N 3.02Å; L128-F130 VanDerWaalsContact C-N 3.25Å; L128-F130 PolarHBondContact O-N 2.87Å; F130-I132 PolarHBondContact O-N 2.6Å; F130-L133 PolarHBondContact O-N 3.14Å; F130-F134 VanDerWaalsContact O-CB 3.25Å; F130-F134 WeakPolarHBondContact O-CB 3.45Å; F130-F134 PolarHBondContact O-N 2.89Å |
| 131 | L | 86.7 | Confident | 84.9 | Confident | 87 Ų | 87 | 56.8 Ų | 56.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | -179.7 | -179.4 | 65.5 | 0 | 0 | 0 | 111.4 | A127 L128 P129 F134 L135 | A127-L131 VanDerWaalsContact O-CB 3.31Å; A127-L131 WeakPolarHBondContact O-CB 3.48Å; A127-L131 PolarHBondContact O-N 3.44Å; L128-L131 PolarHBondContact O-N 2.9Å; P129-L131 PolarHBondContact O-N 3.36Å; L131-F134 WeakPolarHBondContact O-CB 3.36Å; L131-F134 PolarHBondContact O-N 3.29Å; L131-L135 HydrophobicContact CD1-CD1 4.3Å; L131-L135 HydrophobicContact CD1-CG 4.27Å; L131-L135 HydrophobicContact CG-CD1 4.02Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.49Å |
| 132 | I | 87 | Confident | 85.4 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | -180 | -70.2 | 177.4 | 0 | 0 | 0 | 110.6 | L128 P129 F130 F134 L135 I136 V151 L155 | L128-I132 HydrophobicContact CD1-CD1 4Å; L128-I132 HydrophobicContact CD1-CG1 4.16Å; L128-I132 HydrophobicContact CG-CD1 4.01Å; L128-I132 HydrophobicContact CG-CG1 4.5Å; L128-I132 WeakPolarHBondContact O-CG1 3.46Å; L128-I132 PolarHBondContact O-N 3.02Å; P129-I132 PolarHBondContact O-N 3.17Å; F130-I132 PolarHBondContact O-N 2.6Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 2.61Å; I132-L135 PolarHBondContact O-N 3.4Å; I132-I136 HydrophobicContact CG2-CD1 3.79Å; I132-I136 HydrophobicContact CG2-CG1 4.38Å; I132-I136 WeakPolarHBondContact O-CB 3.2Å; I132-I136 VanDerWaalsContact O-CG1 3.28Å; I132-I136 WeakPolarHBondContact O-CG1 3.38Å; I132-I136 PolarHBondContact O-N 3.36Å; I132-V151 HydrophobicContact CG2-CG1 3.72Å; I132-V151 HydrophobicContact CG2-CG2 4.18Å; I132-L155 HydrophobicContact CD1-CD2 3.59Å; I132-L155 HydrophobicContact CD1-CG 3.63Å |
| 133 | L | 87.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 176.6 | -68.4 | 166.6 | 0 | 0 | 0 | 111.6 | P129 F130 L135 I136 E137 W313 | P129-L133 WeakPolarHBondContact O-CB 3.5Å; P129-L133 WeakPolarHBondContact O-CD1 3.41Å; P129-L133 WeakPolarHBondContact O-CG 3.24Å; P129-L133 PolarHBondContact O-N 2.88Å; F130-L133 PolarHBondContact O-N 3.14Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.81Å; L133-I136 PolarHBondContact O-N 2.82Å; L133-E137 PolarHBondContact O-N 3.5Å; L133-W313 HydrophobicContact CD1-CD2 3.65Å; L133-W313 HydrophobicContact CD1-CE3 3.17Å; L133-W313 HydrophobicContact CD1-CG 4.27Å; L133-W313 HydrophobicContact CD1-CH2 4.36Å; L133-W313 HydrophobicContact CD1-CZ3 3.59Å; L133-W313 HydrophobicContact CD2-CB 4.15Å; L133-W313 HydrophobicContact CG-CE3 4.5Å |
| 134 | F | 88.3 | Confident | 86.4 | Confident | 46 Ų | 46 | 61.3 Ų | 61.3 | 20% | 0.202 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.9 | 175.4 | -93.6 | 0 | 0 | 0 | 112 | F92 K95 F130 L131 I132 E137 R138 | F92-F134 HydrophobicContact CD2-CD2 4.33Å; F92-F134 HydrophobicContact CD2-CE2 4.4Å; F92-F134 HydrophobicContact CE2-CD2 4.3Å; K95-F134 HydrophobicContact CB-CE2 4.35Å; K95-F134 HydrophobicContact CG-CE2 3.79Å; K95-F134 HydrophobicContact CG-CZ 4.28Å; F130-F134 VanDerWaalsContact O-CB 3.25Å; F130-F134 WeakPolarHBondContact O-CB 3.45Å; F130-F134 PolarHBondContact O-N 2.89Å; L131-F134 WeakPolarHBondContact O-CB 3.36Å; L131-F134 PolarHBondContact O-N 3.29Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 2.61Å; F134-E137 PolarHBondContact O-N 3.35Å; F134-R138 HydrophobicContact CE1-CB 4.42Å; F134-R138 WeakPolarHBondContact O-CB 3.43Å; F134-R138 PolarHBondContact O-N 3.34Å |
| 135 | L | 89.4 | Confident | 87.2 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 33% | 0.33 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.6 | -41 | 178.5 | -68.3 | 173.2 | 0 | 0 | 0 | 111.8 | L131 I132 L133 E137 R138 Y139 | L131-L135 HydrophobicContact CD1-CD1 4.3Å; L131-L135 HydrophobicContact CD1-CG 4.27Å; L131-L135 HydrophobicContact CG-CD1 4.02Å; L131-L135 HydrophobicContact CG-CG 4.38Å; L131-L135 WeakPolarHBondContact O-CB 3.35Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.49Å; I132-L135 PolarHBondContact O-N 3.4Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.81Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.85Å; L135-R138 PolarHBondContact O-N 2.95Å; L135-Y139 HydrophobicContact CB-CD2 4.44Å; L135-Y139 HydrophobicContact CD2-CD2 4.26Å; L135-Y139 HydrophobicContact CD2-CE2 3.78Å; L135-Y139 WeakPolarHBondContact O-CB 3.41Å; L135-Y139 WeakPolarHBondContact O-CD2 3.26Å; L135-Y139 PolarHBondContact O-N 3.41Å |
| 136 | I | 89.9 | Confident | 88 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 5% | 0.051 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.8 | -50.9 | 173.7 | -74.5 | 166.7 | 0 | 0 | 0 | 109.9 | I132 L133 S140 I141 V151 W317 | I132-I136 HydrophobicContact CG2-CD1 3.79Å; I132-I136 HydrophobicContact CG2-CG1 4.38Å; I132-I136 WeakPolarHBondContact O-CB 3.2Å; I132-I136 VanDerWaalsContact O-CG1 3.28Å; I132-I136 WeakPolarHBondContact O-CG1 3.38Å; I132-I136 PolarHBondContact O-N 3.36Å; L133-I136 PolarHBondContact O-N 2.82Å; I136-S140 PolarHBondContact O-N 3.41Å; I136-I141 HydrophobicContact CG1-CD1 4.22Å; I136-I141 HydrophobicContact CG2-CB 4.38Å; I136-I141 PolarHBondContact O-N 3.01Å; I136-V151 HydrophobicContact CD1-CG2 4.39Å; I136-W317 HydrophobicContact CD1-CD2 4.36Å; I136-W317 HydrophobicContact CD1-CE3 4.21Å; I136-W317 HydrophobicContact CD1-CH2 3.87Å; I136-W317 HydrophobicContact CD1-CZ2 4.03Å; I136-W317 HydrophobicContact CD1-CZ3 3.96Å; I136-W317 HydrophobicContact CG1-CZ2 4.28Å; I136-W317 HydrophobicContact CG2-CD2 3.99Å; I136-W317 HydrophobicContact CG2-CG 4.05Å; I136-W317 HydrophobicContact CG2-CZ2 4.12Å |
| 137 | E | 89.8 | Confident | 88.5 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.6 | -42.8 | -177.6 | -168.9 | 58.3 | -140.8 | 0 | 0 | 111.8 | L99 F100 L133 F134 L135 Y139 S140 R320 R321 | L99-E137 HydrophobicContact CB-CG 4.31Å; L99-E137 HydrophobicContact CD1-CB 4.22Å; L99-E137 HydrophobicContact CD1-CG 3.58Å; L99-E137 HydrophobicContact CD2-CG 4.02Å; L99-E137 HydrophobicContact CG-CG 4.18Å; F100-E137 HydrophobicContact CE2-CG 4.39Å; F100-E137 HydrophobicContact CZ-CG 3.84Å; L133-E137 PolarHBondContact O-N 3.5Å; F134-E137 PolarHBondContact O-N 3.35Å; L135-E137 VanDerWaalsContact C-N 3.31Å; L135-E137 PolarHBondContact O-N 2.85Å; E137-Y139 VanDerWaalsContact C-N 3.32Å; E137-Y139 PolarHBondContact O-N 2.82Å; E137-S140 PolarHBondContact O-N 2.88Å; E137-S140 VanDerWaalsContact O-N 3.17Å; E137-R320 IonicContact OE1-CZ 3.33Å; E137-R320 IonicContact OE1-NH1 3.77Å; E137-R320 PolarHBondContact OE1-NH1 3.24Å; E137-R320 VanDerWaalsContact OE1-NH1 3.15Å; E137-R320 IonicContact OE1-NH2 3.85Å; E137-R320 PolarHBondContact OE1-NH2 2.95Å; E137-R320 IonicContact OE2-CZ 3.75Å; E137-R320 IonicContact OE2-NH1 3.08Å; E137-R320 PolarHBondContact OE2-NH1 3.39Å; E137-R320 IonicContact OE2-NH2 3.97Å; E137-R321 IonicContact OE1-CZ 3.32Å; E137-R321 IonicContact OE1-NH2 3.25Å; E137-R321 PolarHBondContact OE1-NH2 3.49Å |
| 138 | R | 87.9 | Confident | 88.8 | Confident | 126 Ų | 126 | 68.6 Ų | 68.6 | 48% | 0.475 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58 | -44 | 179.5 | 174.7 | 174.2 | 179.9 | 145.5 | -0.1 | 112.3 | F134 L135 | F134-R138 HydrophobicContact CE1-CB 4.42Å; F134-R138 WeakPolarHBondContact O-CB 3.43Å; F134-R138 PolarHBondContact O-N 3.34Å; L135-R138 PolarHBondContact O-N 2.95Å |
| 139 | Y | 90.3 | Very high | 89.2 | Confident | 155 Ų | 155 | 73.7 Ų | 73.7 | 61% | 0.608 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | 7.2 | -178.6 | -67.5 | -65.7 | 0 | 0 | 0 | 113.3 | L135 E137 I141 | L135-Y139 HydrophobicContact CB-CD2 4.44Å; L135-Y139 HydrophobicContact CD2-CD2 4.26Å; L135-Y139 HydrophobicContact CD2-CE2 3.78Å; L135-Y139 WeakPolarHBondContact O-CB 3.41Å; L135-Y139 WeakPolarHBondContact O-CD2 3.26Å; L135-Y139 PolarHBondContact O-N 3.41Å; E137-Y139 VanDerWaalsContact C-N 3.32Å; E137-Y139 PolarHBondContact O-N 2.82Å; Y139-I141 PolarHBondContact O-N 3.25Å |
| 140 | S | 89.5 | Confident | 89.4 | Confident | 57 Ų | 57 | 75.7 Ų | 75.7 | 40% | 0.399 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 37.6 | 175.2 | -76.9 | 0 | 0 | 0 | 0 | 112.8 | I136 E137 R142 R321 | I136-S140 PolarHBondContact O-N 3.41Å; E137-S140 PolarHBondContact O-N 2.88Å; E137-S140 VanDerWaalsContact O-N 3.17Å; S140-R142 PolarHBondContact O-N 2.94Å; S140-R321 PolarHBondContact OG-NH1 2.84Å; S140-R321 PolarHBondContact OG-NH2 3.39Å; S140-R321 VanDerWaalsContact OG-NH2 3.09Å |
| 141 | I | 91.4 | Very high | 89.4 | Confident | 55 Ų | 55 | 75.7 Ų | 75.7 | 28% | 0.282 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 120.5 | -172.9 | -57.2 | -175.9 | 0 | 0 | 0 | 109.1 | I136 Y139 I147 W317 | I136-I141 HydrophobicContact CG1-CD1 4.22Å; I136-I141 HydrophobicContact CG2-CB 4.38Å; I136-I141 PolarHBondContact O-N 3.01Å; Y139-I141 PolarHBondContact O-N 3.25Å; I141-I147 HydrophobicContact CG2-CD1 4.13Å; I141-I147 HydrophobicContact CG2-CG2 4.1Å; I141-W317 HydrophobicContact CG2-CZ2 4.4Å; I141-W317 PolarHBondContact O-NE1 2.89Å |
| 142 | R | 92.4 | Very high | 89.4 | Confident | 204 Ų | 204 | 76.3 Ų | 76.3 | 77% | 0.77 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -65 | 139.9 | 175.5 | -69.4 | -173.3 | 179.5 | 178.9 | -0.2 | 110.3 | S140 S144 I147 | S140-R142 PolarHBondContact O-N 2.94Å; R142-S144 PolarHBondContact O-N 3.24Å; R142-I147 WeakPolarHBondContact O-CD1 3.21Å |
| 143 | F | 91.3 | Very high | 89.5 | Confident | 34 Ų | 34 | 79.7 Ų | 79.7 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 130.5 | 174.4 | 174 | -90.4 | 0 | 0 | 0 | 109.9 | A148 W317 I318 R321 | F143-A148 HydrophobicContact CD2-CB 4.43Å; F143-A148 HydrophobicContact CE2-CB 3.69Å; F143-A148 HydrophobicContact CZ-CB 4.25Å; F143-W317 HydrophobicContact CB-CD2 4.42Å; F143-W317 HydrophobicContact CB-CZ2 4.42Å; F143-W317 HydrophobicContact CD2-CD2 4.02Å; F143-W317 AromaticContact CD2-CE3 3.92Å; F143-W317 HydrophobicContact CD2-CE3 3.92Å; F143-W317 HydrophobicContact CD2-CH2 4.2Å; F143-W317 HydrophobicContact CD2-CZ2 4.28Å; F143-W317 HydrophobicContact CD2-CZ3 4.01Å; F143-W317 HydrophobicContact CE2-CZ3 4.47Å; F143-I318 HydrophobicContact CD1-CG1 3.92Å; F143-I318 HydrophobicContact CD1-CG2 4.31Å; F143-I318 HydrophobicContact CD2-CD1 4.38Å; F143-I318 HydrophobicContact CD2-CG1 3.53Å; F143-I318 HydrophobicContact CE1-CD1 4.31Å; F143-I318 HydrophobicContact CE1-CG1 3.91Å; F143-I318 HydrophobicContact CE1-CG2 4.46Å; F143-I318 HydrophobicContact CE2-CD1 3.86Å; F143-I318 HydrophobicContact CE2-CG1 3.51Å; F143-I318 HydrophobicContact CG-CB 4.49Å; F143-I318 HydrophobicContact CG-CG1 3.73Å; F143-I318 HydrophobicContact CZ-CD1 3.82Å; F143-I318 HydrophobicContact CZ-CG1 3.71Å; F143-R321 PolarHBondContact N-O 3.15Å |
| 144 | S | 90.4 | Very high | 89.4 | Confident | 51 Ų | 51 | 80.5 Ų | 80.5 | 36% | 0.357 | 39% | 0.394 | S | S | . | . | trans | -143.8 | 144.3 | 168.8 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | R142 K146 I147 A148 | R142-S144 PolarHBondContact O-N 3.24Å; S144-K146 PolarHBondContact O-N 2.83Å; S144-I147 PolarHBondContact O-N 3.5Å; S144-A148 PolarHBondContact O-N 3.36Å | ||
| 145 | L | 89.3 | Confident | 89.3 | Confident | 118 Ų | 118 | 80 Ų | 80 | 62% | 0.618 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -50 | -42.4 | 174.4 | -82.8 | 152.2 | 0 | 0 | 0 | 111.7 | I147 A148 F149 | L145-I147 PolarHBondContact O-N 2.88Å; L145-A148 PolarHBondContact O-N 2.88Å; L145-F149 HydrophobicContact CB-CE2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 4.06Å; L145-F149 WeakPolarHBondContact O-CD2 3.11Å; L145-F149 PolarHBondContact O-N 2.93Å |
| 146 | K | 90.9 | Very high | 89 | Confident | 178 Ų | 178 | 80.8 Ų | 80.8 | 77% | 0.774 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 177.7 | -67.2 | -177.3 | 178.9 | -179 | 0 | 112.4 | S144 S150 | S144-K146 PolarHBondContact O-N 2.83Å; K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 3.04Å |
| 147 | I | 89.8 | Confident | 88.8 | Confident | 64 Ų | 64 | 85.1 Ų | 85.1 | 33% | 0.328 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.4 | -42 | 178.9 | -61.7 | 172.2 | 0 | 0 | 0 | 109.8 | I141 R142 S144 L145 F149 S150 V151 W317 | I141-I147 HydrophobicContact CG2-CD1 4.13Å; I141-I147 HydrophobicContact CG2-CG2 4.1Å; R142-I147 WeakPolarHBondContact O-CD1 3.21Å; S144-I147 PolarHBondContact O-N 3.5Å; L145-I147 PolarHBondContact O-N 2.88Å; I147-F149 PolarHBondContact O-N 3.45Å; I147-S150 CarbonylContact O-C 3.53Å; I147-S150 WeakPolarHBondContact O-CB 3.24Å; I147-S150 PolarHBondContact O-N 3.02Å; I147-V151 HydrophobicContact CG2-CG2 4.26Å; I147-V151 WeakPolarHBondContact O-CB 3.31Å; I147-V151 WeakPolarHBondContact O-CG2 3.37Å; I147-V151 PolarHBondContact O-N 3.32Å; I147-W317 HydrophobicContact CG2-CH2 3.97Å; I147-W317 HydrophobicContact CG2-CZ2 4.14Å |
| 148 | A | 88.9 | Confident | 88.5 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 22% | 0.223 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F143 S144 L145 V151 L152 | F143-A148 HydrophobicContact CD2-CB 4.43Å; F143-A148 HydrophobicContact CE2-CB 3.69Å; F143-A148 HydrophobicContact CZ-CB 4.25Å; S144-A148 PolarHBondContact O-N 3.36Å; L145-A148 PolarHBondContact O-N 2.88Å; A148-V151 PolarHBondContact O-N 3.21Å; A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 PolarHBondContact O-N 3.11Å |
| 149 | F | 90 | Very high | 88.1 | Confident | 124 Ų | 124 | 83.4 Ų | 83.4 | 54% | 0.544 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 172.8 | -78.6 | -64.3 | 0 | 0 | 0 | 111.8 | L145 I147 V151 L152 I153 | L145-F149 HydrophobicContact CB-CE2 4.47Å; L145-F149 HydrophobicContact CD2-CE2 4.06Å; L145-F149 WeakPolarHBondContact O-CD2 3.11Å; L145-F149 PolarHBondContact O-N 2.93Å; I147-F149 PolarHBondContact O-N 3.45Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 2.95Å; F149-L152 PolarHBondContact O-N 3.38Å; F149-I153 WeakPolarHBondContact O-CB 3.16Å; F149-I153 VanDerWaalsContact O-CG1 3.23Å; F149-I153 WeakPolarHBondContact O-CG1 3.36Å; F149-I153 PolarHBondContact O-N 3.05Å |
| 150 | S | 89 | Confident | 87.6 | Confident | 67 Ų | 67 | 77.4 Ų | 77.4 | 47% | 0.469 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.5 | -41.9 | 176.1 | -172.8 | 0 | 0 | 0 | 0 | 112.1 | K146 I147 T154 | K146-S150 WeakPolarHBondContact O-CB 3.34Å; K146-S150 PolarHBondContact O-N 3.04Å; I147-S150 CarbonylContact O-C 3.53Å; I147-S150 WeakPolarHBondContact O-CB 3.24Å; I147-S150 PolarHBondContact O-N 3.02Å; S150-T154 VanDerWaalsContact O-CB 3.31Å; S150-T154 WeakPolarHBondContact O-CB 3.45Å; S150-T154 PolarHBondContact O-N 2.77Å; S150-T154 PolarHBondContact O-OG1 3.4Å |
| 151 | V | 88.2 | Confident | 87.1 | Confident | 29 Ų | 29 | 77.9 Ų | 77.9 | 18% | 0.176 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -64 | -47 | 176.8 | 162.5 | 0 | 0 | 0 | 0 | 110.4 | I132 I136 I147 A148 F149 T154 L155 W317 | I132-V151 HydrophobicContact CG2-CG1 3.72Å; I132-V151 HydrophobicContact CG2-CG2 4.18Å; I136-V151 HydrophobicContact CD1-CG2 4.39Å; I147-V151 HydrophobicContact CG2-CG2 4.26Å; I147-V151 WeakPolarHBondContact O-CB 3.31Å; I147-V151 WeakPolarHBondContact O-CG2 3.37Å; I147-V151 PolarHBondContact O-N 3.32Å; A148-V151 PolarHBondContact O-N 3.21Å; F149-V151 VanDerWaalsContact C-N 3.31Å; F149-V151 PolarHBondContact O-N 2.95Å; V151-T154 PolarHBondContact O-N 3.46Å; V151-L155 HydrophobicContact CG1-CD1 3.8Å; V151-L155 HydrophobicContact CG1-CG 4.42Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.14Å; V151-L155 PolarHBondContact O-N 2.9Å; V151-W317 HydrophobicContact CG2-CH2 4.4Å |
| 152 | L | 87.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 79.3 Ų | 79.3 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 178.6 | -176.8 | 63.6 | 0 | 0 | 0 | 112.1 | A148 F149 L155 T156 | A148-L152 WeakPolarHBondContact O-CB 3.44Å; A148-L152 PolarHBondContact O-N 3.11Å; F149-L152 PolarHBondContact O-N 3.38Å; L152-L155 PolarHBondContact O-N 3.12Å; L152-T156 HydrophobicContact CD1-CG2 4.39Å; L152-T156 WeakPolarHBondContact O-CB 3.14Å; L152-T156 WeakPolarHBondContact O-CG2 3.27Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.32Å |
| 153 | I | 87.6 | Confident | 85.2 | Confident | 93 Ų | 93 | 72.4 Ų | 72.4 | 48% | 0.477 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 175.9 | -69.4 | 166.5 | 0 | 0 | 0 | 110.2 | F149 L155 T156 I157 | F149-I153 WeakPolarHBondContact O-CB 3.16Å; F149-I153 VanDerWaalsContact O-CG1 3.23Å; F149-I153 WeakPolarHBondContact O-CG1 3.36Å; F149-I153 PolarHBondContact O-N 3.05Å; I153-L155 VanDerWaalsContact C-N 3.35Å; I153-L155 PolarHBondContact O-N 2.96Å; I153-T156 WeakPolarHBondContact CA-OG1 3.21Å; I153-T156 PolarHBondContact O-N 2.93Å; I153-T156 PolarHBondContact O-OG1 3Å; I153-I157 HydrophobicContact CG2-CD1 3.52Å; I153-I157 HydrophobicContact CG2-CG1 4.26Å; I153-I157 WeakPolarHBondContact O-CB 3.49Å; I153-I157 VanDerWaalsContact O-CG1 3.24Å; I153-I157 WeakPolarHBondContact O-CG1 3.35Å; I153-I157 PolarHBondContact O-N 3.46Å |
| 154 | T | 86 | Confident | 84.3 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.4 | -55 | 0 | 0 | 0 | 0 | 111.3 | S150 V151 L158 | S150-T154 VanDerWaalsContact O-CB 3.31Å; S150-T154 WeakPolarHBondContact O-CB 3.45Å; S150-T154 PolarHBondContact O-N 2.77Å; S150-T154 PolarHBondContact O-OG1 3.4Å; V151-T154 PolarHBondContact O-N 3.46Å; T154-L158 VanDerWaalsContact O-CB 3.23Å; T154-L158 WeakPolarHBondContact O-CB 3.4Å; T154-L158 PolarHBondContact O-N 3.44Å |
| 155 | L | 85.9 | Confident | 83.4 | Confident | 36 Ų | 36 | 82.6 Ų | 82.6 | 19% | 0.188 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58 | -55.7 | 175.4 | -82.5 | 167.7 | 0 | 0 | 0 | 110.9 | L128 P129 I132 V151 L152 I153 I157 L158 T159 | L128-L155 HydrophobicContact CD2-CD2 3.96Å; L128-L155 HydrophobicContact CG-CD2 3.91Å; P129-L155 HydrophobicContact CB-CD2 4.32Å; P129-L155 HydrophobicContact CG-CD2 3.91Å; I132-L155 HydrophobicContact CD1-CD2 3.59Å; I132-L155 HydrophobicContact CD1-CG 3.63Å; V151-L155 HydrophobicContact CG1-CD1 3.8Å; V151-L155 HydrophobicContact CG1-CG 4.42Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 VanDerWaalsContact O-CG 3.31Å; V151-L155 WeakPolarHBondContact O-CG 3.14Å; V151-L155 PolarHBondContact O-N 2.9Å; L152-L155 PolarHBondContact O-N 3.12Å; I153-L155 VanDerWaalsContact C-N 3.35Å; I153-L155 PolarHBondContact O-N 2.96Å; L155-I157 PolarHBondContact O-N 3.19Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-T159 WeakPolarHBondContact O-CB 3.15Å; L155-T159 VanDerWaalsContact O-CG2 3.3Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 2.9Å; L155-T159 PolarHBondContact O-OG1 3.38Å |
| 156 | T | 83.8 | Confident | 82.4 | Confident | 80 Ų | 80 | 80.7 Ų | 80.7 | 49% | 0.491 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | -177 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | L152 I153 T159 G160 | L152-T156 HydrophobicContact CD1-CG2 4.39Å; L152-T156 WeakPolarHBondContact O-CB 3.14Å; L152-T156 WeakPolarHBondContact O-CG2 3.27Å; L152-T156 PolarHBondContact O-N 3.34Å; L152-T156 PolarHBondContact O-OG1 3.32Å; I153-T156 WeakPolarHBondContact CA-OG1 3.21Å; I153-T156 PolarHBondContact O-N 2.93Å; I153-T156 PolarHBondContact O-OG1 3Å; T156-T159 PolarHBondContact O-OG1 2.89Å; T156-G160 PolarHBondContact O-N 3.29Å |
| 157 | I | 85.6 | Confident | 81.1 | Confident | 101 Ų | 101 | 74 Ų | 74 | 52% | 0.518 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.7 | -49.2 | 177.8 | -68.7 | 173.8 | 0 | 0 | 0 | 110.5 | I153 L155 G160 C161 | I153-I157 HydrophobicContact CG2-CD1 3.52Å; I153-I157 HydrophobicContact CG2-CG1 4.26Å; I153-I157 WeakPolarHBondContact O-CB 3.49Å; I153-I157 VanDerWaalsContact O-CG1 3.24Å; I153-I157 WeakPolarHBondContact O-CG1 3.35Å; I153-I157 PolarHBondContact O-N 3.46Å; L155-I157 PolarHBondContact O-N 3.19Å; I157-G160 PolarHBondContact O-N 3.13Å; I157-C161 WeakPolarHBondContact O-CB 3.33Å; I157-C161 PolarHBondContact O-N 3.42Å; I157-C161 PolarHBondContact O-SG 2.94Å |
| 158 | L | 83.6 | Confident | 80.1 | Confident | 71 Ų | 71 | 81.1 Ų | 81.1 | 37% | 0.372 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -75.9 | -35.8 | -173.1 | -179.1 | 59.3 | 0 | 0 | 0 | 112.1 | L128 T154 L155 C161 L162 | L128-L158 HydrophobicContact CD1-CD2 3.36Å; L128-L158 HydrophobicContact CD1-CG 4.28Å; L128-L158 HydrophobicContact CD2-CB 3.53Å; L128-L158 HydrophobicContact CD2-CD2 3.6Å; L128-L158 HydrophobicContact CD2-CG 3.62Å; L128-L158 HydrophobicContact CG-CD2 4.07Å; T154-L158 VanDerWaalsContact O-CB 3.23Å; T154-L158 WeakPolarHBondContact O-CB 3.4Å; T154-L158 PolarHBondContact O-N 3.44Å; L155-L158 PolarHBondContact O-N 2.93Å; L158-C161 PolarHBondContact O-N 3.17Å; L158-L162 HydrophobicContact CD1-CD1 4.45Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.26Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.19Å |
| 159 | T | 80.3 | Confident | 79 | Confident | 41 Ų | 41 | 84 Ų | 84 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.1 | -45.8 | 168.4 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | L128 L155 T156 C161 L162 W163 | L128-T159 HydrophobicContact CD2-CG2 4.06Å; L155-T159 WeakPolarHBondContact O-CB 3.15Å; L155-T159 VanDerWaalsContact O-CG2 3.3Å; L155-T159 WeakPolarHBondContact O-CG2 3.48Å; L155-T159 PolarHBondContact O-N 2.9Å; L155-T159 PolarHBondContact O-OG1 3.38Å; T156-T159 PolarHBondContact O-OG1 2.89Å; T159-C161 PolarHBondContact O-N 2.93Å; T159-L162 PolarHBondContact O-N 3.16Å; T159-W163 VanDerWaalsContact O-CB 3.28Å; T159-W163 WeakPolarHBondContact O-CB 3.5Å; T159-W163 PolarHBondContact O-N 2.88Å |
| 160 | G | 79 | Confident | 77.7 | Confident | 28 Ų | 28 | 86 Ų | 86 | 29% | 0.289 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T156 I157 W163 I164 | T156-G160 PolarHBondContact O-N 3.29Å; I157-G160 PolarHBondContact O-N 3.13Å; G160-W163 PolarHBondContact O-N 3.1Å; G160-I164 WeakPolarHBondContact O-CB 3.28Å; G160-I164 VanDerWaalsContact O-CG1 3.27Å; G160-I164 WeakPolarHBondContact O-CG1 3.27Å; G160-I164 PolarHBondContact O-N 3.48Å |
| 161 | C | 79.6 | Confident | 76.8 | Confident | 68 Ų | 68 | 86.9 Ų | 86.9 | 46% | 0.459 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.8 | -44.6 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 112.2 | I157 L158 T159 W163 I164 Y165 | I157-C161 WeakPolarHBondContact O-CB 3.33Å; I157-C161 PolarHBondContact O-N 3.42Å; I157-C161 PolarHBondContact O-SG 2.94Å; L158-C161 PolarHBondContact O-N 3.17Å; T159-C161 PolarHBondContact O-N 2.93Å; C161-W163 PolarHBondContact O-N 3.43Å; C161-I164 PolarHBondContact O-N 2.52Å; C161-Y165 VanDerWaalsContact O-CB 3.25Å; C161-Y165 WeakPolarHBondContact O-CB 3.45Å; C161-Y165 PolarHBondContact O-N 3.47Å |
| 162 | L | 74.7 | Confident | 75.8 | Confident | 85 Ų | 85 | 85.8 Ų | 85.8 | 45% | 0.445 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 175.5 | -75.3 | 169.9 | 0 | 0 | 0 | 111 | L158 T159 Y165 A166 | L158-L162 HydrophobicContact CD1-CD1 4.45Å; L158-L162 HydrophobicContact CD1-CG 4.25Å; L158-L162 HydrophobicContact CG-CD1 4.26Å; L158-L162 WeakPolarHBondContact O-CB 3.37Å; L158-L162 WeakPolarHBondContact O-CG 3.47Å; L158-L162 PolarHBondContact O-N 3.19Å; T159-L162 PolarHBondContact O-N 3.16Å; L162-Y165 PolarHBondContact O-N 3.32Å; L162-A166 VanDerWaalsContact O-CB 3.3Å; L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.48Å |
| 163 | W | 69.5 | Low | 74.9 | Confident | 58 Ų | 58 | 84.6 Ų | 84.6 | 22% | 0.22 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -73.7 | -40.5 | -178.8 | -141.2 | 72.4 | 0 | 0 | 0 | 112.5 | T159 G160 C161 Y165 A166 C167 A172 F175 I176 | T159-W163 VanDerWaalsContact O-CB 3.28Å; T159-W163 WeakPolarHBondContact O-CB 3.5Å; T159-W163 PolarHBondContact O-N 2.88Å; G160-W163 PolarHBondContact O-N 3.1Å; C161-W163 PolarHBondContact O-N 3.43Å; W163-Y165 VanDerWaalsContact C-N 3.32Å; W163-A166 PolarHBondContact O-N 3.47Å; W163-C167 WeakPolarHBondContact O-CB 3.27Å; W163-C167 PolarHBondContact O-N 3.42Å; W163-A172 HydrophobicContact CE3-CB 3.7Å; W163-A172 HydrophobicContact CH2-CB 4.4Å; W163-A172 HydrophobicContact CZ3-CB 3.42Å; W163-A172 VanDerWaalsContact CZ3-CB 3.42Å; W163-A172 WeakPolarHBondContact CZ3-O 3.34Å; W163-F175 HydrophobicContact CH2-CB 3.81Å; W163-F175 AromaticContact CH2-CD1 3.19Å; W163-F175 HydrophobicContact CH2-CD1 3.19Å; W163-F175 AromaticContact CH2-CE1 3.86Å; W163-F175 HydrophobicContact CH2-CE1 3.86Å; W163-F175 AromaticContact CH2-CG 3.64Å; W163-F175 HydrophobicContact CH2-CG 3.64Å; W163-F175 AromaticContact CZ2-CD1 3.53Å; W163-F175 HydrophobicContact CZ2-CD1 3.53Å; W163-F175 AromaticContact CZ2-CE1 3.68Å; W163-F175 HydrophobicContact CZ2-CE1 3.68Å; W163-F175 HydrophobicContact CZ2-CG 4.14Å; W163-F175 HydrophobicContact CZ2-CZ 4.46Å; W163-F175 HydrophobicContact CZ3-CD1 4.35Å; W163-I176 HydrophobicContact CE3-CD1 4.27Å; W163-I176 HydrophobicContact CH2-CG1 4.21Å; W163-I176 HydrophobicContact CZ3-CD1 3.86Å; W163-I176 HydrophobicContact CZ3-CG1 3.78Å |
| 164 | I | 71.8 | Confident | 74.1 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.7 | -36 | 171.2 | -71.2 | 164.8 | 0 | 0 | 0 | 111.6 | G160 C161 C167 V169 | G160-I164 WeakPolarHBondContact O-CB 3.28Å; G160-I164 VanDerWaalsContact O-CG1 3.27Å; G160-I164 WeakPolarHBondContact O-CG1 3.27Å; G160-I164 PolarHBondContact O-N 3.48Å; C161-I164 PolarHBondContact O-N 2.52Å; I164-C167 CarbonylContact C-O 3.57Å; I164-C167 CarbonylContact O-C 3.5Å; I164-V169 HydrophobicContact CG2-CG2 3.76Å |
| 165 | Y | 70.3 | Confident | 73.3 | Confident | 209 Ų | 209 | 82.8 Ų | 82.8 | 82% | 0.82 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69 | -41.8 | 175.8 | -179.9 | -96.6 | 0 | 0 | 0 | 111.4 | C161 L162 W163 | C161-Y165 VanDerWaalsContact O-CB 3.25Å; C161-Y165 WeakPolarHBondContact O-CB 3.45Å; C161-Y165 PolarHBondContact O-N 3.47Å; L162-Y165 PolarHBondContact O-N 3.32Å; W163-Y165 VanDerWaalsContact C-N 3.32Å |
| 166 | A | 67.9 | Low | 72.7 | Confident | 78 Ų | 78 | 85.1 Ų | 85.1 | 65% | 0.645 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.6 | -39.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L162 W163 | L162-A166 VanDerWaalsContact O-CB 3.3Å; L162-A166 WeakPolarHBondContact O-CB 3.49Å; L162-A166 PolarHBondContact O-N 3.48Å; W163-A166 PolarHBondContact O-N 3.47Å |
| 167 | C | 63.9 | Low | 72.3 | Confident | 37 Ų | 37 | 86.4 Ų | 86.4 | 25% | 0.25 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -116.9 | 119.9 | -177.7 | -66.9 | 0 | 0 | 0 | 0 | 109.7 | W163 I164 V169 A172 | W163-C167 WeakPolarHBondContact O-CB 3.27Å; W163-C167 PolarHBondContact O-N 3.42Å; I164-C167 CarbonylContact C-O 3.57Å; I164-C167 CarbonylContact O-C 3.5Å; C167-V169 PolarHBondContact O-N 2.78Å; C167-A172 HydrophobicContact CB-CB 4.07Å |
| 168 | R | 69.3 | Low | 71.8 | Confident | 213 Ų | 213 | 83.6 Ų | 83.6 | 80% | 0.804 | 44% | 0.436 | S | S | * | . | trans | -46.2 | 131.1 | 170.7 | -67.2 | -172.8 | 177.4 | -166.5 | -0.1 | 109.8 | Q170 I171 A172 | R168-Q170 PolarHBondContact O-N 3.42Å; R168-I171 HydrophobicContact CB-CD1 4.27Å; R168-I171 WeakPolarHBondContact O-CB 3.43Å; R168-I171 PolarHBondContact O-N 3.15Å; R168-A172 PolarHBondContact O-N 3.46Å | ||
| 169 | V | 66.6 | Low | 71.4 | Confident | 88 Ų | 88 | 81.7 Ų | 81.7 | 53% | 0.533 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -41.9 | -43.4 | -167.1 | 176.9 | 0 | 0 | 0 | 0 | 114.7 | I164 C167 I171 A172 T173 | I164-V169 HydrophobicContact CG2-CG2 3.76Å; C167-V169 PolarHBondContact O-N 2.78Å; V169-I171 PolarHBondContact O-N 3.06Å; V169-A172 WeakPolarHBondContact O-CB 3.39Å; V169-A172 PolarHBondContact O-N 2.9Å; V169-T173 PolarHBondContact O-N 3.33Å; V169-T173 PolarHBondContact O-OG1 2.98Å |
| 170 | Q | 63.1 | Low | 71.3 | Confident | 167 Ų | 167 | 83.7 Ų | 83.7 | 78% | 0.78 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -65.3 | -37.8 | -179.4 | -71.5 | 175.7 | -26.5 | 0 | 0 | 113.7 | R168 A172 T173 S174 | R168-Q170 PolarHBondContact O-N 3.42Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; Q170-T173 PolarHBondContact O-OG1 3.44Å; Q170-T173 VanDerWaalsContact O-OG1 3.06Å; Q170-S174 PolarHBondContact O-N 2.96Å |
| 171 | I | 69 | Low | 71.3 | Confident | 85 Ų | 85 | 88.6 Ų | 88.6 | 44% | 0.436 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 177 | -59.2 | 172.5 | 0 | 0 | 0 | 109 | R168 V169 F175 | R168-I171 HydrophobicContact CB-CD1 4.27Å; R168-I171 WeakPolarHBondContact O-CB 3.43Å; R168-I171 PolarHBondContact O-N 3.15Å; V169-I171 PolarHBondContact O-N 3.06Å; I171-F175 VanDerWaalsContact O-CB 3.28Å; I171-F175 WeakPolarHBondContact O-CB 3.19Å; I171-F175 PolarHBondContact O-N 3.41Å |
| 172 | A | 67.7 | Low | 71.2 | Confident | 5 Ų | 5 | 86 Ų | 86 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | W163 C167 R168 V169 Q170 F175 I176 | W163-A172 HydrophobicContact CE3-CB 3.7Å; W163-A172 HydrophobicContact CH2-CB 4.4Å; W163-A172 HydrophobicContact CZ3-CB 3.42Å; W163-A172 VanDerWaalsContact CZ3-CB 3.42Å; W163-A172 WeakPolarHBondContact CZ3-O 3.34Å; C167-A172 HydrophobicContact CB-CB 4.07Å; R168-A172 PolarHBondContact O-N 3.46Å; V169-A172 WeakPolarHBondContact O-CB 3.39Å; V169-A172 PolarHBondContact O-N 2.9Å; Q170-A172 VanDerWaalsContact C-N 3.31Å; A172-F175 PolarHBondContact O-N 2.95Å; A172-I176 WeakPolarHBondContact O-CG1 3.28Å; A172-I176 PolarHBondContact O-N 2.91Å |
| 173 | T | 68.3 | Low | 71.7 | Confident | 76 Ų | 76 | 84.2 Ų | 84.2 | 47% | 0.466 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | -178.6 | 50.3 | 0 | 0 | 0 | 0 | 112.6 | V169 Q170 F175 I176 L177 | V169-T173 PolarHBondContact O-N 3.33Å; V169-T173 PolarHBondContact O-OG1 2.98Å; Q170-T173 PolarHBondContact O-OG1 3.44Å; Q170-T173 VanDerWaalsContact O-OG1 3.06Å; T173-F175 VanDerWaalsContact C-N 3.28Å; T173-F175 PolarHBondContact O-N 3.34Å; T173-I176 PolarHBondContact O-N 3.18Å; T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 3.18Å; T173-L177 VanDerWaalsContact O-N 3.12Å |
| 174 | S | 69.6 | Low | 72.5 | Confident | 46 Ų | 46 | 87.8 Ų | 87.8 | 32% | 0.322 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 176.7 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | Q170 N178 | Q170-S174 PolarHBondContact O-N 2.96Å; S174-N178 PolarHBondContact O-N 3.25Å; S174-N178 VanDerWaalsContact O-N 3.09Å; S174-N178 PolarHBondContact O-ND2 3.48Å; S174-N178 PolarHBondContact O-OD1 3.01Å; S174-N178 VanDerWaalsContact O-OD1 3.07Å |
| 175 | F | 70.8 | Confident | 73.2 | Confident | 76 Ų | 76 | 87.5 Ų | 87.5 | 33% | 0.333 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 177.2 | -179.2 | -80.1 | 0 | 0 | 0 | 111.9 | W163 I171 A172 T173 L177 N178 Q179 L379 | W163-F175 HydrophobicContact CH2-CB 3.81Å; W163-F175 AromaticContact CH2-CD1 3.19Å; W163-F175 HydrophobicContact CH2-CD1 3.19Å; W163-F175 AromaticContact CH2-CE1 3.86Å; W163-F175 HydrophobicContact CH2-CE1 3.86Å; W163-F175 AromaticContact CH2-CG 3.64Å; W163-F175 HydrophobicContact CH2-CG 3.64Å; W163-F175 AromaticContact CZ2-CD1 3.53Å; W163-F175 HydrophobicContact CZ2-CD1 3.53Å; W163-F175 AromaticContact CZ2-CE1 3.68Å; W163-F175 HydrophobicContact CZ2-CE1 3.68Å; W163-F175 HydrophobicContact CZ2-CG 4.14Å; W163-F175 HydrophobicContact CZ2-CZ 4.46Å; W163-F175 HydrophobicContact CZ3-CD1 4.35Å; I171-F175 VanDerWaalsContact O-CB 3.28Å; I171-F175 WeakPolarHBondContact O-CB 3.19Å; I171-F175 PolarHBondContact O-N 3.41Å; A172-F175 PolarHBondContact O-N 2.95Å; T173-F175 VanDerWaalsContact C-N 3.28Å; T173-F175 PolarHBondContact O-N 3.34Å; F175-L177 VanDerWaalsContact C-N 3.35Å; F175-L177 PolarHBondContact O-N 2.92Å; F175-N178 PolarHBondContact O-N 2.79Å; F175-Q179 HydrophobicContact CD1-CG 3.69Å; F175-Q179 HydrophobicContact CE1-CG 3.4Å; F175-Q179 HydrophobicContact CG-CG 4.45Å; F175-Q179 HydrophobicContact CZ-CG 3.88Å; F175-Q179 VanDerWaalsContact O-CG 3.28Å; F175-Q179 WeakPolarHBondContact O-CG 3.28Å; F175-Q179 PolarHBondContact O-N 2.88Å; F175-L379 VanDerWaalsContact CA-CD2 3.49Å; F175-L379 HydrophobicContact CB-CD2 4.18Å; F175-L379 HydrophobicContact CD2-CD1 3.84Å; F175-L379 HydrophobicContact CD2-CD2 3.78Å; F175-L379 HydrophobicContact CD2-CG 4.14Å; F175-L379 HydrophobicContact CE2-CD1 4.31Å; F175-L379 HydrophobicContact CE2-CD2 4.3Å; F175-L379 HydrophobicContact CE2-CG 4.39Å; F175-L379 HydrophobicContact CG-CD2 3.93Å; F175-L379 WeakPolarHBondContact O-CD2 3.49Å |
| 176 | I | 73 | Confident | 74.1 | Confident | 84 Ų | 84 | 81.6 Ų | 81.6 | 43% | 0.431 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.2 | -44.8 | -179.4 | -67.9 | 168 | 0 | 0 | 0 | 111.1 | W163 A172 T173 Q179 I180 | W163-I176 HydrophobicContact CE3-CD1 4.27Å; W163-I176 HydrophobicContact CH2-CG1 4.21Å; W163-I176 HydrophobicContact CZ3-CD1 3.86Å; W163-I176 HydrophobicContact CZ3-CG1 3.78Å; A172-I176 WeakPolarHBondContact O-CG1 3.28Å; A172-I176 PolarHBondContact O-N 2.91Å; T173-I176 PolarHBondContact O-N 3.18Å; I176-Q179 PolarHBondContact O-N 3.22Å; I176-I180 HydrophobicContact CG2-CD1 3.81Å; I176-I180 HydrophobicContact CG2-CG1 4.45Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.17Å |
| 177 | L | 75.3 | Confident | 75.2 | Confident | 107 Ų | 107 | 80.9 Ų | 80.9 | 56% | 0.56 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.1 | -49.2 | 179.8 | -73.1 | 172.5 | 0 | 0 | 0 | 111.4 | T173 F175 Q179 I180 E181 | T173-L177 WeakPolarHBondContact O-CG 3.49Å; T173-L177 PolarHBondContact O-N 3.18Å; T173-L177 VanDerWaalsContact O-N 3.12Å; F175-L177 VanDerWaalsContact C-N 3.35Å; F175-L177 PolarHBondContact O-N 2.92Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.35Å; L177-I180 PolarHBondContact O-N 3.39Å; L177-E181 PolarHBondContact O-N 2.96Å |
| 178 | N | 73.9 | Confident | 76.6 | Confident | 43 Ų | 43 | 79.5 Ų | 79.5 | 23% | 0.23 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.5 | -29.5 | -179.6 | -28.3 | -31.5 | 0 | 0 | 0 | 111.4 | S174 F175 I180 E181 C182 L379 | S174-N178 PolarHBondContact O-N 3.25Å; S174-N178 VanDerWaalsContact O-N 3.09Å; S174-N178 PolarHBondContact O-ND2 3.48Å; S174-N178 PolarHBondContact O-OD1 3.01Å; S174-N178 VanDerWaalsContact O-OD1 3.07Å; F175-N178 PolarHBondContact O-N 2.79Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.13Å; N178-E181 PolarHBondContact O-N 3.41Å; N178-C182 PolarHBondContact O-N 3.37Å; N178-C182 PolarHBondContact O-SG 3.22Å; N178-L379 HydrophobicContact CB-CB 3.69Å; N178-L379 HydrophobicContact CB-CD2 3.43Å; N178-L379 VanDerWaalsContact CB-CD2 3.43Å; N178-L379 HydrophobicContact CB-CG 4.13Å |
| 179 | Q | 75.6 | Confident | 77.8 | Confident | 30 Ų | 30 | 75.8 Ų | 75.8 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 171.3 | -72.4 | -55.9 | -55.4 | 0 | 0 | 111.4 | F175 I176 L177 E181 C182 F183 L379 | F175-Q179 HydrophobicContact CD1-CG 3.69Å; F175-Q179 HydrophobicContact CE1-CG 3.4Å; F175-Q179 HydrophobicContact CG-CG 4.45Å; F175-Q179 HydrophobicContact CZ-CG 3.88Å; F175-Q179 VanDerWaalsContact O-CG 3.28Å; F175-Q179 WeakPolarHBondContact O-CG 3.28Å; F175-Q179 PolarHBondContact O-N 2.88Å; I176-Q179 PolarHBondContact O-N 3.22Å; L177-Q179 VanDerWaalsContact C-N 3.31Å; L177-Q179 PolarHBondContact O-N 3.35Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; Q179-C182 WeakPolarHBondContact O-CB 3.23Å; Q179-C182 PolarHBondContact O-N 3.49Å; Q179-F183 WeakPolarHBondContact O-CD2 3.44Å; Q179-F183 PolarHBondContact O-N 2.89Å; Q179-L379 HydrophobicContact CG-CD2 4.14Å; Q179-L379 PolarHBondContact NE2-O 2.93Å |
| 180 | I | 79.5 | Confident | 79.2 | Confident | 84 Ų | 84 | 77 Ų | 77 | 43% | 0.431 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.8 | -69.4 | 168 | 0 | 0 | 0 | 110.2 | I176 L177 N178 C182 F183 I184 | I176-I180 HydrophobicContact CG2-CD1 3.81Å; I176-I180 HydrophobicContact CG2-CG1 4.45Å; I176-I180 WeakPolarHBondContact O-CG1 3.41Å; I176-I180 PolarHBondContact O-N 3.17Å; L177-I180 PolarHBondContact O-N 3.39Å; N178-I180 VanDerWaalsContact C-N 3.34Å; N178-I180 PolarHBondContact O-N 3.13Å; I180-C182 VanDerWaalsContact C-N 3.27Å; I180-C182 PolarHBondContact O-N 3.22Å; I180-F183 PolarHBondContact O-N 2.71Å; I180-I184 HydrophobicContact CG2-CD1 3.54Å; I180-I184 HydrophobicContact CG2-CG1 4.22Å; I180-I184 WeakPolarHBondContact O-CG1 3.45Å; I180-I184 PolarHBondContact O-N 2.94Å |
| 181 | E | 78.2 | Confident | 80.8 | Confident | 131 Ų | 131 | 69.5 Ų | 69.5 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.2 | -38.8 | 175.7 | -71.7 | -179.3 | 173.8 | 0 | 0 | 112.3 | L177 N178 Q179 F183 I184 | L177-E181 PolarHBondContact O-N 2.96Å; N178-E181 PolarHBondContact O-N 3.41Å; Q179-E181 VanDerWaalsContact C-N 3.35Å; E181-F183 PolarHBondContact O-N 3.49Å; E181-I184 PolarHBondContact O-N 2.94Å |
| 182 | C | 78.3 | Confident | 82.1 | Confident | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.081 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.5 | -24.4 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 113.6 | N178 Q179 I180 I185 N188 C380 | N178-C182 PolarHBondContact O-N 3.37Å; N178-C182 PolarHBondContact O-SG 3.22Å; Q179-C182 WeakPolarHBondContact O-CB 3.23Å; Q179-C182 PolarHBondContact O-N 3.49Å; I180-C182 VanDerWaalsContact C-N 3.27Å; I180-C182 PolarHBondContact O-N 3.22Å; C182-I185 VanDerWaalsContact O-CD1 3.25Å; C182-I185 WeakPolarHBondContact O-CD1 3.41Å; C182-N188 PolarHBondContact O-ND2 3.42Å; C182-C380 VanDerWaalsContact CA-SG 3.59Å; C182-C380 HydrophobicContact CB-CB 3.81Å; C182-C380 WeakPolarHBondContact CB-SG 3.47Å; C182-C380 WeakPolarHBondContact SG-CA 3.4Å; C182-C380 WeakPolarHBondContact SG-CB 3.49Å; C182-C380 PolarHBondContact SG-N 3.4Å; C182-C380 VanDerWaalsContact SG-N 3.36Å; C182-C380 CovalentContact SG-SG 2.03Å; C182-C380 PolarHBondContact SG-SG 3.06Å |
| 183 | F | 84.9 | Confident | 83.4 | Confident | 48 Ų | 48 | 73.5 Ų | 73.5 | 21% | 0.211 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -88.4 | -28.6 | 174.9 | -71.7 | -66.4 | 0 | 0 | 0 | 113.1 | Q179 I180 E181 I185 N188 H299 L300 L303 | Q179-F183 WeakPolarHBondContact O-CD2 3.44Å; Q179-F183 PolarHBondContact O-N 2.89Å; I180-F183 PolarHBondContact O-N 2.71Å; E181-F183 PolarHBondContact O-N 3.49Å; F183-I185 PolarHBondContact O-N 3.26Å; F183-N188 WeakPolarHBondContact CA-ND2 3.15Å; F183-N188 WeakPolarHBondContact O-CB 3.44Å; F183-N188 PolarHBondContact O-ND2 2.71Å; F183-H299 AromaticContact CE1-CD2 3.6Å; F183-H299 AromaticContact CE2-NE2 3.91Å; F183-H299 AromaticContact CZ-CD2 3.23Å; F183-H299 WeakPolarHBondContact CZ-CD2 3.27Å; F183-H299 AromaticContact CZ-NE2 3.33Å; F183-H299 VanDerWaalsContact CZ-NE2 3.33Å; F183-H299 WeakPolarHBondContact CZ-NE2 3.5Å; F183-L300 HydrophobicContact CD1-CB 4.46Å; F183-L300 HydrophobicContact CD1-CD1 3.91Å; F183-L300 HydrophobicContact CE1-CB 4.27Å; F183-L300 HydrophobicContact CE1-CD1 4.14Å; F183-L303 HydrophobicContact CE1-CD2 3.93Å; F183-L303 HydrophobicContact CE2-CD2 3.94Å; F183-L303 HydrophobicContact CZ-CB 4.39Å; F183-L303 HydrophobicContact CZ-CD2 3.6Å |
| 184 | I | 84.9 | Confident | 84.8 | Confident | 134 Ų | 134 | 74.1 Ų | 74.1 | 69% | 0.687 | 38% | 0.38 | S | S | * | . | trans | -80.3 | 68.9 | 179.2 | -56.8 | 170.1 | 0 | 0 | 0 | 109.8 | I180 E181 | I180-I184 HydrophobicContact CG2-CD1 3.54Å; I180-I184 HydrophobicContact CG2-CG1 4.22Å; I180-I184 WeakPolarHBondContact O-CG1 3.45Å; I180-I184 PolarHBondContact O-N 2.94Å; E181-I184 PolarHBondContact O-N 2.94Å | ||
| 185 | I | 87.3 | Confident | 86.1 | Confident | 84 Ų | 84 | 73 Ų | 73 | 43% | 0.431 | 37% | 0.369 | S | S | . | . | trans | -125.8 | 144.7 | 176.1 | -57.1 | 175.6 | 0 | 0 | 0 | 108.5 | C182 F183 T187 N188 F189 | C182-I185 VanDerWaalsContact O-CD1 3.25Å; C182-I185 WeakPolarHBondContact O-CD1 3.41Å; F183-I185 PolarHBondContact O-N 3.26Å; I185-T187 VanDerWaalsContact C-N 3.26Å; I185-T187 PolarHBondContact O-N 2.88Å; I185-N188 WeakPolarHBondContact O-CB 3.47Å; I185-N188 PolarHBondContact O-N 2.85Å; I185-N188 VanDerWaalsContact O-N 3.09Å; I185-F189 PolarHBondContact O-N 3.09Å; I185-F189 VanDerWaalsContact O-N 3.1Å | ||
| 186 | S | 90.3 | Very high | 87.3 | Confident | 86 Ų | 86 | 73.6 Ų | 73.6 | 60% | 0.601 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.6 | -40 | -179.6 | 55.8 | 0 | 0 | 0 | 0 | 113 | N188 F189 I190 | S186-N188 PolarHBondContact O-N 3.15Å; S186-F189 WeakPolarHBondContact O-CB 3.3Å; S186-F189 PolarHBondContact O-N 2.84Å; S186-I190 WeakPolarHBondContact O-CG1 3.42Å; S186-I190 PolarHBondContact O-N 2.8Å |
| 187 | T | 90.5 | Very high | 88.5 | Confident | 63 Ų | 63 | 73.8 Ų | 73.8 | 39% | 0.387 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 176.4 | -49 | 0 | 0 | 0 | 0 | 112.1 | I185 F189 I190 L191 | I185-T187 VanDerWaalsContact C-N 3.26Å; I185-T187 PolarHBondContact O-N 2.88Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 3.18Å; T187-I190 PolarHBondContact O-N 3.23Å; T187-L191 WeakPolarHBondContact O-CB 3.34Å; T187-L191 PolarHBondContact O-N 2.77Å |
| 188 | N | 93.5 | Very high | 89.5 | Confident | 8 Ų | 8 | 70 Ų | 70 | 4% | 0.043 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.8 | -72 | -19.7 | 0 | 0 | 0 | 111.2 | C182 F183 I185 S186 L191 L192 S297 L300 | C182-N188 PolarHBondContact O-ND2 3.42Å; F183-N188 WeakPolarHBondContact CA-ND2 3.15Å; F183-N188 WeakPolarHBondContact O-CB 3.44Å; F183-N188 PolarHBondContact O-ND2 2.71Å; I185-N188 WeakPolarHBondContact O-CB 3.47Å; I185-N188 PolarHBondContact O-N 2.85Å; I185-N188 VanDerWaalsContact O-N 3.09Å; S186-N188 PolarHBondContact O-N 3.15Å; N188-L191 PolarHBondContact O-N 3.34Å; N188-L192 WeakPolarHBondContact O-CB 3.44Å; N188-L192 PolarHBondContact O-N 3.45Å; N188-S297 WeakPolarHBondContact OD1-CB 3.49Å; N188-S297 PolarHBondContact OD1-OG 2.93Å; N188-L300 HydrophobicContact CB-CD2 3.86Å |
| 189 | F | 94.2 | Very high | 90.5 | Very high | 134 Ų | 134 | 74 Ų | 74 | 59% | 0.588 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62.3 | -47.8 | 175.9 | -178.4 | -97.2 | 0 | 0 | 0 | 111.8 | I185 S186 T187 L191 L192 M193 | I185-F189 PolarHBondContact O-N 3.09Å; I185-F189 VanDerWaalsContact O-N 3.1Å; S186-F189 WeakPolarHBondContact O-CB 3.3Å; S186-F189 PolarHBondContact O-N 2.84Å; T187-F189 VanDerWaalsContact C-N 3.33Å; T187-F189 PolarHBondContact O-N 3.18Å; F189-L191 VanDerWaalsContact C-N 3.29Å; F189-L191 PolarHBondContact O-N 2.86Å; F189-L192 PolarHBondContact O-N 3.48Å; F189-M193 HydrophobicContact CD1-CG 4.23Å; F189-M193 HydrophobicContact CE1-CG 3.83Å; F189-M193 HydrophobicContact CE2-CG 4.42Å; F189-M193 HydrophobicContact CZ-CG 3.94Å; F189-M193 HydrophobicContact CZ-SD 4.15Å; F189-M193 WeakPolarHBondContact O-CG 3.39Å; F189-M193 PolarHBondContact O-N 3.25Å |
| 190 | I | 95.7 | Very high | 91.4 | Very high | 115 Ų | 115 | 77.8 Ų | 77.8 | 59% | 0.59 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.4 | -43.4 | 176.3 | -67.4 | 166.1 | 0 | 0 | 0 | 110.5 | S186 T187 M193 F194 | S186-I190 WeakPolarHBondContact O-CG1 3.42Å; S186-I190 PolarHBondContact O-N 2.8Å; T187-I190 PolarHBondContact O-N 3.23Å; I190-M193 PolarHBondContact O-N 2.84Å; I190-F194 WeakPolarHBondContact O-CB 3.26Å; I190-F194 PolarHBondContact O-N 3.37Å |
| 191 | L | 96.2 | Very high | 92.2 | Very high | 9 Ų | 9 | 78.1 Ų | 78.1 | 5% | 0.047 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 179.9 | -169.3 | 61.5 | 0 | 0 | 0 | 112.1 | T187 N188 F189 F194 W195 Y296 L300 | T187-L191 WeakPolarHBondContact O-CB 3.34Å; T187-L191 PolarHBondContact O-N 2.77Å; N188-L191 PolarHBondContact O-N 3.34Å; F189-L191 VanDerWaalsContact C-N 3.29Å; F189-L191 PolarHBondContact O-N 2.86Å; L191-F194 HydrophobicContact CD1-CD1 4.49Å; L191-F194 WeakPolarHBondContact O-CB 3.43Å; L191-F194 PolarHBondContact O-N 3.34Å; L191-W195 HydrophobicContact CD1-CZ2 3.89Å; L191-W195 HydrophobicContact CD2-CH2 3.74Å; L191-W195 HydrophobicContact CD2-CZ2 3.47Å; L191-W195 VanDerWaalsContact CD2-CZ2 3.47Å; L191-W195 HydrophobicContact CG-CD2 4.14Å; L191-W195 HydrophobicContact CG-CH2 3.99Å; L191-W195 HydrophobicContact CG-CZ2 3.48Å; L191-W195 VanDerWaalsContact CG-CZ2 3.48Å; L191-W195 HydrophobicContact CG-CZ3 4.5Å; L191-W195 VanDerWaalsContact O-CG 3.24Å; L191-W195 PolarHBondContact O-N 2.88Å; L191-Y296 HydrophobicContact CD1-CD2 4.18Å; L191-L300 HydrophobicContact CD2-CD2 4.28Å |
| 192 | L | 95.9 | Very high | 92.9 | Very high | 74 Ų | 74 | 72.7 Ų | 72.7 | 39% | 0.387 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 173.2 | -89.6 | 152.8 | 0 | 0 | 0 | 112.1 | N188 F189 F194 W195 L196 L300 | N188-L192 WeakPolarHBondContact O-CB 3.44Å; N188-L192 PolarHBondContact O-N 3.45Å; F189-L192 PolarHBondContact O-N 3.48Å; L192-F194 VanDerWaalsContact C-N 3.34Å; L192-W195 PolarHBondContact O-N 3.43Å; L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 PolarHBondContact O-N 2.95Å; L192-L300 HydrophobicContact CD1-CD1 4.48Å; L192-L300 HydrophobicContact CD1-CD2 4.22Å; L192-L300 HydrophobicContact CG-CD2 4.24Å |
| 193 | M | 96.6 | Very high | 93.5 | Very high | 99 Ų | 99 | 74.6 Ų | 74.6 | 49% | 0.488 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 176.6 | -70.1 | -57.5 | -65.2 | 0 | 0 | 111.9 | F189 I190 L196 C197 | F189-M193 HydrophobicContact CD1-CG 4.23Å; F189-M193 HydrophobicContact CE1-CG 3.83Å; F189-M193 HydrophobicContact CE2-CG 4.42Å; F189-M193 HydrophobicContact CZ-CG 3.94Å; F189-M193 HydrophobicContact CZ-SD 4.15Å; F189-M193 WeakPolarHBondContact O-CG 3.39Å; F189-M193 PolarHBondContact O-N 3.25Å; I190-M193 PolarHBondContact O-N 2.84Å; M193-L196 PolarHBondContact O-N 3.16Å; M193-L196 HydrophobicContact SD-CD2 4.47Å; M193-C197 PolarHBondContact O-N 2.6Å |
| 194 | F | 97.3 | Very high | 93.9 | Very high | 89 Ų | 89 | 79.2 Ų | 79.2 | 39% | 0.39 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63 | -47.9 | 174.7 | 173.3 | -111 | 0 | 0 | 0 | 111.8 | I190 L191 L192 L196 C197 L198 I288 | I190-F194 WeakPolarHBondContact O-CB 3.26Å; I190-F194 PolarHBondContact O-N 3.37Å; L191-F194 HydrophobicContact CD1-CD1 4.49Å; L191-F194 WeakPolarHBondContact O-CB 3.43Å; L191-F194 PolarHBondContact O-N 3.34Å; L192-F194 VanDerWaalsContact C-N 3.34Å; F194-L196 VanDerWaalsContact C-N 3.32Å; F194-L196 PolarHBondContact O-N 3.12Å; F194-C197 WeakPolarHBondContact O-CB 3.33Å; F194-C197 PolarHBondContact O-N 2.74Å; F194-L198 HydrophobicContact CD1-CD1 4.25Å; F194-L198 HydrophobicContact CE1-CD1 3.63Å; F194-L198 HydrophobicContact CE2-CD1 4.26Å; F194-L198 HydrophobicContact CE2-CG 4.37Å; F194-L198 HydrophobicContact CZ-CD1 3.64Å; F194-L198 HydrophobicContact CZ-CG 4.23Å; F194-L198 PolarHBondContact O-N 3.22Å; F194-I288 HydrophobicContact CE1-CG2 3.86Å; F194-I288 HydrophobicContact CZ-CG2 3.72Å |
| 195 | W | 97.3 | Very high | 94.2 | Very high | 24 Ų | 24 | 75 Ų | 75 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 176.1 | -64.4 | -15 | 0 | 0 | 0 | 112.5 | L191 L192 C197 L198 F199 V289 S292 L300 L301 M304 | L191-W195 HydrophobicContact CD1-CZ2 3.89Å; L191-W195 HydrophobicContact CD2-CH2 3.74Å; L191-W195 HydrophobicContact CD2-CZ2 3.47Å; L191-W195 VanDerWaalsContact CD2-CZ2 3.47Å; L191-W195 HydrophobicContact CG-CD2 4.14Å; L191-W195 HydrophobicContact CG-CH2 3.99Å; L191-W195 HydrophobicContact CG-CZ2 3.48Å; L191-W195 VanDerWaalsContact CG-CZ2 3.48Å; L191-W195 HydrophobicContact CG-CZ3 4.5Å; L191-W195 VanDerWaalsContact O-CG 3.24Å; L191-W195 PolarHBondContact O-N 2.88Å; L192-W195 PolarHBondContact O-N 3.43Å; W195-C197 VanDerWaalsContact C-N 3.34Å; W195-L198 PolarHBondContact O-N 3.25Å; W195-F199 WeakPolarHBondContact O-CB 3.5Å; W195-F199 PolarHBondContact O-N 3.25Å; W195-V289 HydrophobicContact CD2-CG1 4.02Å; W195-V289 HydrophobicContact CG-CG1 4.15Å; W195-V289 HydrophobicContact CG-CG2 4.34Å; W195-V289 HydrophobicContact CZ2-CG1 4.29Å; W195-S292 PolarHBondContact NE1-OG 3.34Å; W195-L300 HydrophobicContact CH2-CD2 4.28Å; W195-L300 HydrophobicContact CH2-CG 4.22Å; W195-L300 HydrophobicContact CZ3-CD2 4.07Å; W195-L300 HydrophobicContact CZ3-CG 4.02Å; W195-L301 HydrophobicContact CH2-CB 4.28Å; W195-L301 HydrophobicContact CH2-CD1 4.32Å; W195-L301 HydrophobicContact CZ2-CD1 4.38Å; W195-M304 HydrophobicContact CZ3-CB 4.28Å; W195-M304 HydrophobicContact CZ3-CG 4.07Å |
| 196 | L | 96 | Very high | 94.3 | Very high | 88 Ų | 88 | 72.5 Ų | 72.5 | 46% | 0.461 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.5 | -177.2 | 64 | 0 | 0 | 0 | 111.1 | L192 M193 F194 F199 M200 | L192-L196 VanDerWaalsContact O-CB 3.28Å; L192-L196 WeakPolarHBondContact O-CB 3.43Å; L192-L196 PolarHBondContact O-N 2.95Å; M193-L196 PolarHBondContact O-N 3.16Å; M193-L196 HydrophobicContact SD-CD2 4.47Å; F194-L196 VanDerWaalsContact C-N 3.32Å; F194-L196 PolarHBondContact O-N 3.12Å; L196-F199 HydrophobicContact CD1-CD1 4.48Å; L196-F199 PolarHBondContact O-N 3.12Å; L196-M200 HydrophobicContact CD1-CG 4.41Å; L196-M200 HydrophobicContact CG-CG 4.49Å; L196-M200 WeakPolarHBondContact O-CB 3.47Å; L196-M200 VanDerWaalsContact O-CG 3.25Å; L196-M200 WeakPolarHBondContact O-CG 3.23Å; L196-M200 PolarHBondContact O-N 3.01Å |
| 197 | C | 97.3 | Very high | 94.1 | Very high | 88 Ų | 88 | 73 Ų | 73 | 60% | 0.595 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 175.2 | -174 | 0 | 0 | 0 | 0 | 111.7 | M193 F194 W195 F199 M200 L201 | M193-C197 PolarHBondContact O-N 2.6Å; F194-C197 WeakPolarHBondContact O-CB 3.33Å; F194-C197 PolarHBondContact O-N 2.74Å; W195-C197 VanDerWaalsContact C-N 3.34Å; C197-F199 VanDerWaalsContact C-N 3.34Å; C197-F199 PolarHBondContact O-N 3.04Å; C197-M200 PolarHBondContact O-N 3.44Å; C197-L201 WeakPolarHBondContact O-CB 3.34Å; C197-L201 PolarHBondContact O-N 2.99Å |
| 198 | L | 95.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 73.8 Ų | 73.8 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -41.3 | 175.3 | -71.5 | 175.8 | 0 | 0 | 0 | 112.4 | F194 W195 L201 C202 I288 V289 | F194-L198 HydrophobicContact CD1-CD1 4.25Å; F194-L198 HydrophobicContact CE1-CD1 3.63Å; F194-L198 HydrophobicContact CE2-CD1 4.26Å; F194-L198 HydrophobicContact CE2-CG 4.37Å; F194-L198 HydrophobicContact CZ-CD1 3.64Å; F194-L198 HydrophobicContact CZ-CG 4.23Å; F194-L198 PolarHBondContact O-N 3.22Å; W195-L198 PolarHBondContact O-N 3.25Å; L198-L201 WeakPolarHBondContact O-CB 3.38Å; L198-L201 PolarHBondContact O-N 3.11Å; L198-C202 PolarHBondContact O-N 3.17Å; L198-C202 PolarHBondContact O-SG 2.75Å; L198-I288 HydrophobicContact CD1-CB 4.26Å; L198-I288 HydrophobicContact CD1-CG2 3.67Å; L198-V289 HydrophobicContact CD1-CG2 4.11Å |
| 199 | F | 94.5 | Very high | 93.8 | Very high | 127 Ų | 127 | 74.3 Ų | 74.3 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62 | -47.3 | 176 | 175.2 | -103 | 0 | 0 | 0 | 111.3 | W195 L196 C197 L201 C202 V203 | W195-F199 WeakPolarHBondContact O-CB 3.5Å; W195-F199 PolarHBondContact O-N 3.25Å; L196-F199 HydrophobicContact CD1-CD1 4.48Å; L196-F199 PolarHBondContact O-N 3.12Å; C197-F199 VanDerWaalsContact C-N 3.34Å; C197-F199 PolarHBondContact O-N 3.04Å; F199-L201 VanDerWaalsContact C-N 3.29Å; F199-L201 PolarHBondContact O-N 3.42Å; F199-C202 WeakPolarHBondContact O-CB 3.35Å; F199-C202 PolarHBondContact O-N 3.02Å; F199-C202 VanDerWaalsContact O-N 3.12Å; F199-V203 HydrophobicContact CD1-CG2 4.26Å; F199-V203 HydrophobicContact CE1-CG2 3.82Å; F199-V203 HydrophobicContact CE2-CG2 4.13Å; F199-V203 HydrophobicContact CZ-CG2 3.74Å; F199-V203 WeakPolarHBondContact O-CG2 3.34Å; F199-V203 PolarHBondContact O-N 2.8Å |
| 200 | M | 96 | Very high | 93.3 | Very high | 109 Ų | 109 | 74.1 Ų | 74.1 | 54% | 0.537 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 177.4 | -68 | -57.4 | -67.6 | 0 | 0 | 112 | L196 C197 V203 Y204 | L196-M200 HydrophobicContact CD1-CG 4.41Å; L196-M200 HydrophobicContact CG-CG 4.49Å; L196-M200 WeakPolarHBondContact O-CB 3.47Å; L196-M200 VanDerWaalsContact O-CG 3.25Å; L196-M200 WeakPolarHBondContact O-CG 3.23Å; L196-M200 PolarHBondContact O-N 3.01Å; C197-M200 PolarHBondContact O-N 3.44Å; M200-V203 PolarHBondContact O-N 3.17Å; M200-Y204 WeakPolarHBondContact O-CB 3.44Å; M200-Y204 PolarHBondContact O-N 3.47Å |
| 201 | L | 95.3 | Very high | 92.7 | Very high | 91 Ų | 91 | 72.3 Ų | 72.3 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.2 | -179 | 67.4 | 0 | 0 | 0 | 111.6 | C197 L198 F199 V203 Y204 I205 | C197-L201 WeakPolarHBondContact O-CB 3.34Å; C197-L201 PolarHBondContact O-N 2.99Å; L198-L201 WeakPolarHBondContact O-CB 3.38Å; L198-L201 PolarHBondContact O-N 3.11Å; F199-L201 VanDerWaalsContact C-N 3.29Å; F199-L201 PolarHBondContact O-N 3.42Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 2.97Å; L201-Y204 PolarHBondContact O-N 3.04Å; L201-I205 HydrophobicContact CD1-CD1 4.17Å; L201-I205 HydrophobicContact CD1-CG1 4.5Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.39Å; L201-I205 PolarHBondContact O-N 2.78Å |
| 202 | C | 92.9 | Very high | 92.1 | Very high | 16 Ų | 16 | 74 Ų | 74 | 11% | 0.108 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.7 | -66.3 | 0 | 0 | 0 | 0 | 111.8 | L198 F199 I205 T206 F282 | L198-C202 PolarHBondContact O-N 3.17Å; L198-C202 PolarHBondContact O-SG 2.75Å; F199-C202 WeakPolarHBondContact O-CB 3.35Å; F199-C202 PolarHBondContact O-N 3.02Å; F199-C202 VanDerWaalsContact O-N 3.12Å; C202-I205 PolarHBondContact O-N 3.39Å; C202-T206 WeakPolarHBondContact O-CB 3.39Å; C202-T206 PolarHBondContact O-N 3.35Å; C202-T206 PolarHBondContact O-OG1 3.22Å; C202-F282 HydrophobicContact CB-CE1 3.82Å; C202-F282 HydrophobicContact CB-CE2 4.48Å; C202-F282 HydrophobicContact CB-CZ 3.75Å |
| 203 | V | 91.3 | Very high | 91.2 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.6 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | F199 M200 L201 I205 T206 I207 | F199-V203 HydrophobicContact CD1-CG2 4.26Å; F199-V203 HydrophobicContact CE1-CG2 3.82Å; F199-V203 HydrophobicContact CE2-CG2 4.13Å; F199-V203 HydrophobicContact CZ-CG2 3.74Å; F199-V203 WeakPolarHBondContact O-CG2 3.34Å; F199-V203 PolarHBondContact O-N 2.8Å; M200-V203 PolarHBondContact O-N 3.17Å; L201-V203 VanDerWaalsContact C-N 3.34Å; L201-V203 PolarHBondContact O-N 2.97Å; V203-I205 PolarHBondContact O-N 3.41Å; V203-T206 WeakPolarHBondContact O-CB 3.21Å; V203-T206 PolarHBondContact O-N 2.93Å; V203-I207 HydrophobicContact CG1-CD1 3.88Å; V203-I207 WeakPolarHBondContact O-CG1 3.47Å; V203-I207 PolarHBondContact O-N 3.47Å |
| 204 | Y | 93.1 | Very high | 90.1 | Very high | 144 Ų | 144 | 73.1 Ų | 73.1 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.8 | -46.5 | 178 | 175.9 | -109 | 0 | 0 | 0 | 112.3 | M200 L201 T206 I207 I208 | M200-Y204 WeakPolarHBondContact O-CB 3.44Å; M200-Y204 PolarHBondContact O-N 3.47Å; L201-Y204 PolarHBondContact O-N 3.04Å; Y204-T206 VanDerWaalsContact C-N 3.32Å; Y204-T206 PolarHBondContact O-N 2.74Å; Y204-I207 PolarHBondContact O-N 3.22Å; Y204-I208 HydrophobicContact CD1-CD1 3.75Å; Y204-I208 HydrophobicContact CD2-CD1 4.42Å; Y204-I208 HydrophobicContact CE1-CD1 3.21Å; Y204-I208 HydrophobicContact CE1-CG1 4.35Å; Y204-I208 HydrophobicContact CE2-CD1 3.96Å; Y204-I208 HydrophobicContact CE2-CG1 4.34Å; Y204-I208 HydrophobicContact CG-CD1 4.33Å; Y204-I208 PolarHBondContact O-N 3.37Å |
| 205 | I | 91.9 | Very high | 89 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 24% | 0.241 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 177.7 | -67.8 | 171.3 | 0 | 0 | 0 | 111.1 | L201 C202 V203 I207 I208 Y209 L278 L281 | L201-I205 HydrophobicContact CD1-CD1 4.17Å; L201-I205 HydrophobicContact CD1-CG1 4.5Å; L201-I205 HydrophobicContact CG-CD1 4Å; L201-I205 VanDerWaalsContact O-CG1 3.31Å; L201-I205 WeakPolarHBondContact O-CG1 3.39Å; L201-I205 PolarHBondContact O-N 2.78Å; C202-I205 PolarHBondContact O-N 3.39Å; V203-I205 PolarHBondContact O-N 3.41Å; I205-I207 VanDerWaalsContact C-N 3.33Å; I205-I207 PolarHBondContact O-N 3.23Å; I205-I208 PolarHBondContact O-N 2.68Å; I205-Y209 WeakPolarHBondContact O-CB 3.38Å; I205-Y209 PolarHBondContact O-N 3Å; I205-L278 HydrophobicContact CG2-CD1 3.78Å; I205-L281 HydrophobicContact CD1-CD2 3.63Å; I205-L281 HydrophobicContact CG2-CD2 3.89Å |
| 206 | T | 88 | Confident | 87.7 | Confident | 30 Ų | 30 | 72.2 Ų | 72.2 | 18% | 0.184 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.8 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | C202 V203 Y204 Y209 R210 F282 | C202-T206 WeakPolarHBondContact O-CB 3.39Å; C202-T206 PolarHBondContact O-N 3.35Å; C202-T206 PolarHBondContact O-OG1 3.22Å; V203-T206 WeakPolarHBondContact O-CB 3.21Å; V203-T206 PolarHBondContact O-N 2.93Å; Y204-T206 VanDerWaalsContact C-N 3.32Å; Y204-T206 PolarHBondContact O-N 2.74Å; T206-Y209 PolarHBondContact O-N 2.97Å; T206-R210 WeakPolarHBondContact O-CB 3.4Å; T206-R210 PolarHBondContact O-N 3.42Å; T206-F282 WeakPolarHBondContact OG1-CZ 3.28Å |
| 207 | I | 88 | Confident | 86.4 | Confident | 96 Ų | 96 | 73.1 Ų | 73.1 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 175.9 | -68.6 | 166.5 | 0 | 0 | 0 | 110.3 | V203 Y204 I205 R210 C211 | V203-I207 HydrophobicContact CG1-CD1 3.88Å; V203-I207 WeakPolarHBondContact O-CG1 3.47Å; V203-I207 PolarHBondContact O-N 3.47Å; Y204-I207 PolarHBondContact O-N 3.22Å; I205-I207 VanDerWaalsContact C-N 3.33Å; I205-I207 PolarHBondContact O-N 3.23Å; I207-R210 PolarHBondContact O-N 2.98Å; I207-C211 PolarHBondContact O-N 3.42Å; I207-C211 PolarHBondContact O-SG 3.06Å |
| 208 | I | 88.9 | Confident | 85.1 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 42% | 0.415 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.7 | -50.4 | 176.9 | -69.8 | 167.2 | 0 | 0 | 0 | 111 | Y204 I205 R210 C211 S212 | Y204-I208 HydrophobicContact CD1-CD1 3.75Å; Y204-I208 HydrophobicContact CD2-CD1 4.42Å; Y204-I208 HydrophobicContact CE1-CD1 3.21Å; Y204-I208 HydrophobicContact CE1-CG1 4.35Å; Y204-I208 HydrophobicContact CE2-CD1 3.96Å; Y204-I208 HydrophobicContact CE2-CG1 4.34Å; Y204-I208 HydrophobicContact CG-CD1 4.33Å; Y204-I208 PolarHBondContact O-N 3.37Å; I205-I208 PolarHBondContact O-N 2.68Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 3.41Å; I208-C211 WeakPolarHBondContact O-CB 3.28Å; I208-C211 PolarHBondContact O-N 3.12Å; I208-C211 VanDerWaalsContact O-N 3.12Å; I208-S212 PolarHBondContact O-N 2.97Å |
| 209 | Y | 86.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 79 Ų | 79 | 7% | 0.071 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.3 | -44 | -180 | 172.3 | -97.5 | 0 | 0 | 0 | 111 | I205 T206 C211 S212 N213 N271 E274 M275 L278 P336 | I205-Y209 WeakPolarHBondContact O-CB 3.38Å; I205-Y209 PolarHBondContact O-N 3Å; T206-Y209 PolarHBondContact O-N 2.97Å; Y209-C211 PolarHBondContact O-N 2.98Å; Y209-S212 WeakPolarHBondContact O-CB 3.33Å; Y209-S212 PolarHBondContact O-N 3.41Å; Y209-S212 VanDerWaalsContact O-N 3.16Å; Y209-N213 HydrophobicContact CE1-CB 4.43Å; Y209-N213 PolarHBondContact O-N 2.83Å; Y209-N271 PolarHBondContact OH-OD1 3.42Å; Y209-E274 HydrophobicContact CD2-CB 4.32Å; Y209-E274 HydrophobicContact CE2-CB 3.73Å; Y209-E274 WeakPolarHBondContact CE2-OE2 3.38Å; Y209-M275 WeakPolarHBondContact OH-CG 3.45Å; Y209-L278 HydrophobicContact CD1-CD2 3.78Å; Y209-L278 HydrophobicContact CE1-CD2 4.22Å; Y209-L278 HydrophobicContact CG-CD2 3.95Å; Y209-P336 HydrophobicContact CD1-CB 4.3Å; Y209-P336 HydrophobicContact CD1-CG 4.14Å; Y209-P336 HydrophobicContact CE1-CB 3.67Å; Y209-P336 HydrophobicContact CE1-CG 3.53Å |
| 210 | R | 84.3 | Confident | 82.3 | Confident | 130 Ų | 130 | 74 Ų | 74 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 176.7 | -173.8 | 177.5 | 176.8 | -128.2 | -2.7 | 112.5 | T206 I207 I208 S212 N213 H214 | T206-R210 WeakPolarHBondContact O-CB 3.4Å; T206-R210 PolarHBondContact O-N 3.42Å; I207-R210 PolarHBondContact O-N 2.98Å; I208-R210 VanDerWaalsContact C-N 3.28Å; I208-R210 PolarHBondContact O-N 3.41Å; R210-S212 VanDerWaalsContact C-N 3.3Å; R210-S212 PolarHBondContact O-N 3.02Å; R210-N213 PolarHBondContact O-N 3.46Å; R210-H214 WeakPolarHBondContact O-CB 3.48Å; R210-H214 PolarHBondContact O-N 2.87Å |
| 211 | C | 84.4 | Confident | 80.9 | Confident | 77 Ų | 77 | 74.6 Ų | 74.6 | 52% | 0.52 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.8 | -38.9 | 174.6 | -71.2 | 0 | 0 | 0 | 0 | 111.7 | I207 I208 Y209 N215 | I207-C211 PolarHBondContact O-N 3.42Å; I207-C211 PolarHBondContact O-SG 3.06Å; I208-C211 WeakPolarHBondContact O-CB 3.28Å; I208-C211 PolarHBondContact O-N 3.12Å; I208-C211 VanDerWaalsContact O-N 3.12Å; Y209-C211 PolarHBondContact O-N 2.98Å; C211-N215 PolarHBondContact O-N 3.32Å; C211-N215 PolarHBondContact O-ND2 2.97Å |
| 212 | S | 81.9 | Confident | 79.5 | Confident | 44 Ų | 44 | 74.1 Ų | 74.1 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.6 | -52 | 174.9 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | I208 Y209 R210 H214 N215 I216 | I208-S212 PolarHBondContact O-N 2.97Å; Y209-S212 WeakPolarHBondContact O-CB 3.33Å; Y209-S212 PolarHBondContact O-N 3.41Å; Y209-S212 VanDerWaalsContact O-N 3.16Å; R210-S212 VanDerWaalsContact C-N 3.3Å; R210-S212 PolarHBondContact O-N 3.02Å; S212-H214 VanDerWaalsContact C-N 3.31Å; S212-H214 PolarHBondContact O-N 3Å; S212-N215 WeakPolarHBondContact O-CA 3.43Å; S212-N215 WeakPolarHBondContact O-CB 3.36Å; S212-N215 PolarHBondContact O-N 3.32Å; S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 VanDerWaalsContact O-N 3.13Å |
| 213 | N | 77.6 | Confident | 77.7 | Confident | 27 Ų | 27 | 77.3 Ų | 77.3 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -37.2 | -177.7 | -165.2 | 21.1 | 0 | 0 | 0 | 112.1 | Y209 R210 N215 I216 Y217 N271 | Y209-N213 HydrophobicContact CE1-CB 4.43Å; Y209-N213 PolarHBondContact O-N 2.83Å; R210-N213 PolarHBondContact O-N 3.46Å; N213-N215 VanDerWaalsContact C-N 3.26Å; N213-N215 PolarHBondContact O-N 3.41Å; N213-I216 WeakPolarHBondContact O-CB 3.2Å; N213-I216 PolarHBondContact O-N 3.46Å; N213-I216 VanDerWaalsContact O-N 3.13Å; N213-Y217 WeakPolarHBondContact O-CD2 3.38Å; N213-Y217 PolarHBondContact O-N 3.22Å; N213-Y217 WeakPolarHBondContact OD1-CE2 3.49Å; N213-N271 PolarHBondContact OD1-ND2 3.16Å |
| 214 | H | 74.5 | Confident | 75.7 | Confident | 129 Ų | 129 | 81.5 Ų | 81.5 | 60% | 0.597 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.9 | -35.1 | 173.5 | -173.3 | -78.2 | 0 | 0 | 0 | 112.4 | R210 S212 R218 | R210-H214 WeakPolarHBondContact O-CB 3.48Å; R210-H214 PolarHBondContact O-N 2.87Å; S212-H214 VanDerWaalsContact C-N 3.31Å; S212-H214 PolarHBondContact O-N 3Å; H214-R218 WeakPolarHBondContact O-CB 3.47Å; H214-R218 PolarHBondContact O-N 3.46Å; H214-R218 VanDerWaalsContact O-N 3.13Å |
| 215 | N | 72.6 | Confident | 73.7 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 174 | -71.2 | -31.7 | 0 | 0 | 0 | 111.8 | C211 S212 N213 R218 I219 | C211-N215 PolarHBondContact O-N 3.32Å; C211-N215 PolarHBondContact O-ND2 2.97Å; S212-N215 WeakPolarHBondContact O-CA 3.43Å; S212-N215 WeakPolarHBondContact O-CB 3.36Å; S212-N215 PolarHBondContact O-N 3.32Å; N213-N215 VanDerWaalsContact C-N 3.26Å; N213-N215 PolarHBondContact O-N 3.41Å; N215-R218 PolarHBondContact O-N 2.95Å; N215-I219 WeakPolarHBondContact O-CD1 3.31Å; N215-I219 VanDerWaalsContact O-CG1 3.3Å; N215-I219 WeakPolarHBondContact O-CG1 3.33Å; N215-I219 PolarHBondContact O-N 3.31Å |
| 216 | I | 71.5 | Confident | 71.6 | Confident | 21 Ų | 21 | 80.8 Ų | 80.8 | 11% | 0.108 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.8 | -50.7 | 175.9 | -64.3 | 171.7 | 0 | 0 | 0 | 110.7 | S212 N213 R218 I219 M220 | S212-I216 PolarHBondContact O-N 2.93Å; S212-I216 VanDerWaalsContact O-N 3.13Å; N213-I216 WeakPolarHBondContact O-CB 3.2Å; N213-I216 PolarHBondContact O-N 3.46Å; N213-I216 VanDerWaalsContact O-N 3.13Å; I216-R218 VanDerWaalsContact C-N 3.27Å; I216-R218 PolarHBondContact O-N 3.46Å; I216-I219 WeakPolarHBondContact O-CB 3.25Å; I216-I219 PolarHBondContact O-N 3.49Å; I216-M220 HydrophobicContact CG2-CE 3.74Å; I216-M220 HydrophobicContact CG2-SD 4.26Å; I216-M220 PolarHBondContact O-N 2.75Å |
| 217 | Y | 68.3 | Low | 69.7 | Low | 107 Ų | 107 | 84.4 Ų | 84.4 | 42% | 0.42 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59 | -37.5 | 177 | -87.7 | -74.1 | 0 | 0 | 0 | 112.8 | N213 I219 M220 N221 | N213-Y217 WeakPolarHBondContact O-CD2 3.38Å; N213-Y217 PolarHBondContact O-N 3.22Å; N213-Y217 WeakPolarHBondContact OD1-CE2 3.49Å; Y217-I219 VanDerWaalsContact C-N 3.34Å; Y217-M220 PolarHBondContact O-N 2.97Å; Y217-N221 WeakPolarHBondContact O-CB 3.34Å; Y217-N221 PolarHBondContact O-N 3.43Å |
| 218 | R | 69.5 | Low | 67.6 | Low | 161 Ų | 161 | 87.2 Ų | 87.2 | 61% | 0.608 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 175.4 | -171.2 | 179.2 | 64 | 163.9 | -0.5 | 112 | H214 N215 I216 S222 | H214-R218 WeakPolarHBondContact O-CB 3.47Å; H214-R218 PolarHBondContact O-N 3.46Å; H214-R218 VanDerWaalsContact O-N 3.13Å; N215-R218 PolarHBondContact O-N 2.95Å; I216-R218 VanDerWaalsContact C-N 3.27Å; I216-R218 PolarHBondContact O-N 3.46Å; R218-S222 PolarHBondContact O-N 2.94Å; R218-S222 VanDerWaalsContact O-N 3.07Å; R218-S222 PolarHBondContact O-OG 3.28Å |
| 219 | I | 67.5 | Low | 65.5 | Low | 77 Ų | 77 | 84 Ų | 84 | 40% | 0.395 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 176 | -67.4 | 160.9 | 0 | 0 | 0 | 111 | N215 I216 Y217 S222 N223 L267 | N215-I219 WeakPolarHBondContact O-CD1 3.31Å; N215-I219 VanDerWaalsContact O-CG1 3.3Å; N215-I219 WeakPolarHBondContact O-CG1 3.33Å; N215-I219 PolarHBondContact O-N 3.31Å; I216-I219 WeakPolarHBondContact O-CB 3.25Å; I216-I219 PolarHBondContact O-N 3.49Å; Y217-I219 VanDerWaalsContact C-N 3.34Å; I219-S222 PolarHBondContact O-N 2.98Å; I219-S222 PolarHBondContact O-OG 3.31Å; I219-N223 PolarHBondContact O-N 3.47Å; I219-L267 HydrophobicContact CG2-CD1 4.48Å |
| 220 | M | 64.2 | Low | 63.6 | Low | 24 Ų | 24 | 85.4 Ų | 85.4 | 12% | 0.118 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 176.2 | -70.3 | -179.1 | 175.9 | 0 | 0 | 111.7 | I216 Y217 N223 L267 L268 | I216-M220 HydrophobicContact CG2-CE 3.74Å; I216-M220 HydrophobicContact CG2-SD 4.26Å; I216-M220 PolarHBondContact O-N 2.75Å; Y217-M220 PolarHBondContact O-N 2.97Å; M220-N223 PolarHBondContact O-N 2.97Å; M220-L267 HydrophobicContact CE-CB 3.68Å; M220-L268 HydrophobicContact CE-CD2 3.95Å; M220-L268 HydrophobicContact CE-CG 4.11Å |
| 221 | N | 65.6 | Low | 61.7 | Low | 120 Ų | 120 | 85 Ų | 85 | 64% | 0.642 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -70.9 | -28.9 | 179.2 | -76.9 | -4.6 | 0 | 0 | 0 | 113.7 | Y217 N223 | Y217-N221 WeakPolarHBondContact O-CB 3.34Å; Y217-N221 PolarHBondContact O-N 3.43Å; N221-N223 PolarHBondContact O-N 3.2Å |
| 222 | S | 65.9 | Low | 59.7 | Low | 82 Ų | 82 | 83.6 Ų | 83.6 | 57% | 0.573 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.6 | -25.7 | 174.2 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | R218 I219 T224 | R218-S222 PolarHBondContact O-N 2.94Å; R218-S222 VanDerWaalsContact O-N 3.07Å; R218-S222 PolarHBondContact O-OG 3.28Å; I219-S222 PolarHBondContact O-N 2.98Å; I219-S222 PolarHBondContact O-OG 3.31Å; S222-T224 VanDerWaalsContact C-N 3.34Å; S222-T224 PolarHBondContact O-N 3.35Å |
| 223 | N | 56.9 | Low | 58.1 | Low | 83 Ų | 83 | 82 Ų | 82 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 45.5 | -176.8 | -65.8 | -3 | 0 | 0 | 0 | 112.3 | I219 M220 N221 V225 | I219-N223 PolarHBondContact O-N 3.47Å; M220-N223 PolarHBondContact O-N 2.97Å; N221-N223 PolarHBondContact O-N 3.2Å; N223-V225 VanDerWaalsContact C-N 3.3Å; N223-V225 WeakPolarHBondContact O-CG2 3.44Å; N223-V225 PolarHBondContact O-N 2.88Å |
| 224 | T | 48.9 | Very low | 56.6 | Low | 141 Ų | 141 | 85.2 Ų | 85.2 | 87% | 0.865 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.3 | 47 | 166.8 | 53.4 | 0 | 0 | 0 | 0 | 116.5 | S222 | S222-T224 VanDerWaalsContact C-N 3.34Å; S222-T224 PolarHBondContact O-N 3.35Å |
| 225 | V | 50.7 | Low | 55.2 | Low | 40 Ų | 40 | 82.1 Ų | 82.1 | 24% | 0.242 | 44% | 0.441 | C | S | . | . | trans | -94.4 | 128.6 | 176.6 | -178.8 | 0 | 0 | 0 | 0 | 109.6 | N223 F229 | N223-V225 VanDerWaalsContact C-N 3.3Å; N223-V225 WeakPolarHBondContact O-CG2 3.44Å; N223-V225 PolarHBondContact O-N 2.88Å; V225-F229 HydrophobicContact CG1-CB 3.55Å; V225-F229 HydrophobicContact CG1-CD1 3.09Å; V225-F229 HydrophobicContact CG1-CD2 4.19Å; V225-F229 HydrophobicContact CG1-CE1 3.68Å; V225-F229 HydrophobicContact CG1-CG 3.36Å; V225-F229 HydrophobicContact CG1-CZ 4.42Å | ||
| 226 | K | 47.7 | Very low | 53.8 | Low | 135 Ų | 135 | 80.6 Ų | 80.6 | 59% | 0.587 | 43% | 0.433 | S | S | * | . | trans | -66.5 | 145.9 | 178.7 | -75.5 | -177.9 | 177 | -179.7 | 0 | 111.4 | E228 F229 | K226-E228 VanDerWaalsContact C-N 3.28Å; K226-E228 PolarHBondContact O-N 2.77Å; K226-F229 WeakPolarHBondContact O-CB 3.48Å; K226-F229 PolarHBondContact O-N 3.07Å | ||
| 227 | P | 48.5 | Very low | 52.6 | Low | 107 Ų | 107 | 81.3 Ų | 81.3 | 70% | 0.695 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.3 | -179.1 | 13.4 | -22 | 0 | 0 | 0 | 114.5 | F229 C230 | P227-F229 PolarHBondContact O-N 3.3Å; P227-F229 VanDerWaalsContact O-N 3.08Å; P227-C230 PolarHBondContact O-N 3.47Å |
| 228 | E | 43.8 | Very low | 51.4 | Low | 155 Ų | 155 | 80.7 Ų | 80.7 | 72% | 0.724 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -58.6 | -20.7 | 174.8 | -66.3 | 170.9 | 172.8 | 0 | 0 | 113.2 | K226 S232 | K226-E228 VanDerWaalsContact C-N 3.28Å; K226-E228 PolarHBondContact O-N 2.77Å; E228-S232 PolarHBondContact O-OG 3.34Å |
| 229 | F | 44.9 | Very low | 50.3 | Low | 14 Ų | 14 | 77.1 Ų | 77.1 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -78 | -29.7 | 175.9 | -176.2 | -89.6 | 0 | 0 | 0 | 113.6 | V225 K226 P227 S232 S233 F257 I258 T264 | V225-F229 HydrophobicContact CG1-CB 3.55Å; V225-F229 HydrophobicContact CG1-CD1 3.09Å; V225-F229 HydrophobicContact CG1-CD2 4.19Å; V225-F229 HydrophobicContact CG1-CE1 3.68Å; V225-F229 HydrophobicContact CG1-CG 3.36Å; V225-F229 HydrophobicContact CG1-CZ 4.42Å; K226-F229 WeakPolarHBondContact O-CB 3.48Å; K226-F229 PolarHBondContact O-N 3.07Å; P227-F229 PolarHBondContact O-N 3.3Å; P227-F229 VanDerWaalsContact O-N 3.08Å; F229-S232 PolarHBondContact O-OG 3.47Å; F229-S232 VanDerWaalsContact O-OG 3.13Å; F229-S233 WeakPolarHBondContact O-CB 2.97Å; F229-S233 PolarHBondContact O-N 3.05Å; F229-S233 VanDerWaalsContact O-N 3.1Å; F229-S233 PolarHBondContact O-OG 3.27Å; F229-F257 AromaticContact CD2-CD1 3.56Å; F229-F257 HydrophobicContact CD2-CD1 3.56Å; F229-F257 HydrophobicContact CD2-CE1 4.11Å; F229-F257 AromaticContact CE2-CD1 3.96Å; F229-F257 HydrophobicContact CE2-CD1 3.96Å; F229-I258 HydrophobicContact CE2-CG1 3.81Å; F229-I258 HydrophobicContact CZ-CG1 4.07Å; F229-T264 HydrophobicContact CE1-CG2 3.75Å; F229-T264 HydrophobicContact CZ-CG2 3.94Å |
| 230 | C | 47.2 | Very low | 49.4 | Very low | 47 Ų | 47 | 77.5 Ų | 77.5 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 176.7 | -89.3 | 0 | 0 | 0 | 0 | 110.5 | P227 S233 I234 | P227-C230 PolarHBondContact O-N 3.47Å; C230-S233 WeakPolarHBondContact CA-OG 3.31Å; C230-S233 PolarHBondContact O-N 2.92Å; C230-S233 PolarHBondContact O-OG 3.32Å; C230-I234 WeakPolarHBondContact O-CB 3.42Å; C230-I234 VanDerWaalsContact O-CD1 3.3Å; C230-I234 WeakPolarHBondContact O-CD1 3.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.46Å; C230-I234 PolarHBondContact O-N 2.86Å |
| 231 | D | 43 | Very low | 48.4 | Very low | 120 Ų | 120 | 78.6 Ų | 78.6 | 64% | 0.642 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.2 | -38.4 | -177.9 | -66.4 | -24.7 | 0 | 0 | 0 | 112.2 | A235 | D231-A235 PolarHBondContact O-N 2.81Å; D231-A235 VanDerWaalsContact O-N 3.1Å |
| 232 | S | 43.8 | Very low | 47.5 | Very low | 48 Ų | 48 | 73.3 Ų | 73.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70.5 | -36.6 | 176.1 | 60 | 0 | 0 | 0 | 0 | 113.1 | E228 F229 A235 L236 | E228-S232 PolarHBondContact O-OG 3.34Å; F229-S232 PolarHBondContact O-OG 3.47Å; F229-S232 VanDerWaalsContact O-OG 3.13Å; S232-A235 PolarHBondContact O-N 3.09Å; S232-L236 WeakPolarHBondContact O-CD1 3.35Å; S232-L236 WeakPolarHBondContact O-CG 3.42Å; S232-L236 PolarHBondContact O-N 2.7Å; S232-L236 VanDerWaalsContact O-N 3.08Å |
| 233 | S | 46.7 | Very low | 46.8 | Very low | 10 Ų | 10 | 70.7 Ų | 70.7 | 7% | 0.07 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -71.7 | -34.8 | 176.8 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | F229 C230 L236 A237 | F229-S233 WeakPolarHBondContact O-CB 2.97Å; F229-S233 PolarHBondContact O-N 3.05Å; F229-S233 VanDerWaalsContact O-N 3.1Å; F229-S233 PolarHBondContact O-OG 3.27Å; C230-S233 WeakPolarHBondContact CA-OG 3.31Å; C230-S233 PolarHBondContact O-N 2.92Å; C230-S233 PolarHBondContact O-OG 3.32Å; S233-L236 PolarHBondContact O-N 3.37Å; S233-A237 WeakPolarHBondContact O-CB 3.33Å; S233-A237 PolarHBondContact O-N 3.44Å |
| 234 | I | 46.6 | Very low | 46.7 | Very low | 95 Ų | 95 | 69.8 Ų | 69.8 | 49% | 0.487 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 171.2 | -68.5 | 163.4 | 0 | 0 | 0 | 110.6 | C230 L236 A237 D238 | C230-I234 WeakPolarHBondContact O-CB 3.42Å; C230-I234 VanDerWaalsContact O-CD1 3.3Å; C230-I234 WeakPolarHBondContact O-CD1 3.43Å; C230-I234 WeakPolarHBondContact O-CG1 3.46Å; C230-I234 PolarHBondContact O-N 2.86Å; I234-L236 PolarHBondContact O-N 3.47Å; I234-A237 WeakPolarHBondContact O-CB 3.3Å; I234-A237 PolarHBondContact O-N 2.83Å; I234-D238 PolarHBondContact O-N 2.92Å |
| 235 | A | 44.5 | Very low | 47.3 | Very low | 64 Ų | 64 | 68 Ų | 68 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | D231 S232 D238 | D231-A235 PolarHBondContact O-N 2.81Å; D231-A235 VanDerWaalsContact O-N 3.1Å; S232-A235 PolarHBondContact O-N 3.09Å; A235-D238 PolarHBondContact O-N 3.17Å |
| 236 | L | 44.3 | Very low | 47.6 | Very low | 42 Ų | 42 | 69.7 Ų | 69.7 | 22% | 0.22 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -69.7 | -32.6 | 173.8 | -73.3 | 156.4 | 0 | 0 | 0 | 112.6 | S232 S233 I234 D238 E239 L251 N255 I258 | S232-L236 WeakPolarHBondContact O-CD1 3.35Å; S232-L236 WeakPolarHBondContact O-CG 3.42Å; S232-L236 PolarHBondContact O-N 2.7Å; S232-L236 VanDerWaalsContact O-N 3.08Å; S233-L236 PolarHBondContact O-N 3.37Å; I234-L236 PolarHBondContact O-N 3.47Å; L236-D238 PolarHBondContact O-N 3Å; L236-D238 VanDerWaalsContact O-N 3.16Å; L236-E239 PolarHBondContact O-N 2.88Å; L236-L251 HydrophobicContact CD2-CD2 3.56Å; L236-N255 WeakPolarHBondContact CD1-ND2 3.38Å; L236-N255 VanDerWaalsContact CD2-ND2 3.31Å; L236-N255 WeakPolarHBondContact CD2-ND2 3.31Å; L236-I258 HydrophobicContact CD1-CD1 3.53Å |
| 237 | A | 45.7 | Very low | 48.2 | Very low | 35 Ų | 35 | 65.2 Ų | 65.2 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.5 | -11.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S233 I234 K272 | S233-A237 WeakPolarHBondContact O-CB 3.33Å; S233-A237 PolarHBondContact O-N 3.44Å; I234-A237 WeakPolarHBondContact O-CB 3.3Å; I234-A237 PolarHBondContact O-N 2.83Å; A237-K272 HydrophobicContact CB-CD 4.32Å; A237-K272 WeakPolarHBondContact O-CE 3.29Å; A237-K272 PolarHBondContact O-NZ 2.6Å |
| 238 | D | 43.7 | Very low | 48.8 | Very low | 94 Ų | 94 | 61.3 Ų | 61.3 | 50% | 0.503 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 11.1 | 176.5 | -77.4 | -27.7 | 0 | 0 | 0 | 114.6 | I234 A235 L236 K340 | I234-D238 PolarHBondContact O-N 2.92Å; A235-D238 PolarHBondContact O-N 3.17Å; L236-D238 PolarHBondContact O-N 3Å; L236-D238 VanDerWaalsContact O-N 3.16Å; D238-K340 VanDerWaalsContact C-CE 3.46Å; D238-K340 VanDerWaalsContact O-CD 3.29Å; D238-K340 WeakPolarHBondContact O-CD 3.46Å; D238-K340 WeakPolarHBondContact O-CE 3.27Å; D238-K340 PolarHBondContact O-NZ 3.02Å |
| 239 | E | 45.9 | Very low | 49.7 | Very low | 86 Ų | 86 | 56.8 Ų | 56.8 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | trans | -77.6 | 127.7 | 175.1 | -92.3 | -81.5 | 151.4 | 0 | 0 | 113.5 | L236 L242 L251 K340 | L236-E239 PolarHBondContact O-N 2.88Å; E239-L242 HydrophobicContact CB-CD1 3.51Å; E239-L251 HydrophobicContact CB-CD1 4.19Å; E239-L251 HydrophobicContact CG-CD1 4.11Å; E239-L251 HydrophobicContact CG-CD2 4.27Å; E239-K340 PolarHBondContact O-NZ 3.45Å | ||
| 240 | P | 48 | Very low | 50.7 | Low | 85 Ų | 85 | 62.1 Ų | 62.1 | 55% | 0.552 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -74.4 | -21.4 | -164.4 | 26.4 | -33.6 | 0 | 0 | 0 | 117 | ||
| 241 | S | 43.2 | Very low | 51.3 | Low | 48 Ų | 48 | 61.6 Ų | 61.6 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | trans | -91 | -13.5 | -165.6 | 39.2 | 0 | 0 | 0 | 0 | 115.3 | S243 | S241-S243 PolarHBondContact O-N 3.4Š| ||
| 242 | L | 47.8 | Very low | 52.2 | Low | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | trans | -80.7 | 86.2 | -163.4 | -59.6 | 126.8 | 0 | 0 | 0 | 113.4 | E239 E247 Y248 L251 | E239-L242 HydrophobicContact CB-CD1 3.51Å; L242-E247 HydrophobicContact CD2-CB 3.56Å; L242-E247 VanDerWaalsContact CD2-O 3.27Å; L242-E247 WeakPolarHBondContact CD2-O 3.48Å; L242-E247 HydrophobicContact CG-CB 4.26Å; L242-Y248 HydrophobicContact CB-CD2 3.42Å; L242-Y248 VanDerWaalsContact CB-CD2 3.42Å; L242-Y248 HydrophobicContact CB-CE1 4.19Å; L242-Y248 HydrophobicContact CB-CE2 3.06Å; L242-Y248 HydrophobicContact CB-CG 4.16Å; L242-Y248 VanDerWaalsContact CB-CZ 3.45Å; L242-Y248 HydrophobicContact CD1-CD1 4.3Å; L242-Y248 HydrophobicContact CD1-CE1 3.98Å; L242-Y248 HydrophobicContact CD1-CE2 4.36Å; L242-Y248 HydrophobicContact CD2-CD1 3.92Å; L242-Y248 HydrophobicContact CD2-CD2 3.52Å; L242-Y248 HydrophobicContact CD2-CE1 4.3Å; L242-Y248 HydrophobicContact CD2-CE2 3.99Å; L242-Y248 HydrophobicContact CD2-CG 3.49Å; L242-Y248 VanDerWaalsContact CD2-CG 3.49Å; L242-Y248 HydrophobicContact CG-CD2 4.05Å; L242-Y248 HydrophobicContact CG-CE1 4.43Å; L242-Y248 HydrophobicContact CG-CE2 4.01Å; L242-Y248 HydrophobicContact CG-CG 4.32Å; L242-Y248 WeakPolarHBondContact O-CE2 3.48Å; L242-L251 HydrophobicContact CD1-CD1 3.84Å; L242-L251 HydrophobicContact CD2-CD1 3.87Å; L242-L251 HydrophobicContact CG-CD1 4.19Å | ||
| 243 | S | 52 | Low | 53 | Low | 27 Ų | 27 | 57.6 Ų | 57.6 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | trans | -83.4 | -23.3 | 164.2 | 57.9 | 0 | 0 | 0 | 0 | 112.2 | S241 R414 | S241-S243 PolarHBondContact O-N 3.4Å; S243-R414 PolarHBondContact OG-NH2 3.43Å; S243-R414 VanDerWaalsContact OG-NH2 3.13Å | ||
| 244 | D | 54.3 | Low | 53.8 | Low | 65 Ų | 65 | 64.3 Ų | 64.3 | 35% | 0.348 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -116.3 | 132.1 | -166 | -67.7 | 14.5 | 0 | 0 | 0 | 109.9 | S246 E247 Y248 | D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å; D244-E247 HydrophobicContact CB-CG 4.47Å; D244-E247 PolarHBondContact O-N 3.15Å; D244-Y248 PolarHBondContact O-N 2.88Å |
| 245 | Q | 60.8 | Low | 54.4 | Low | 102 Ų | 102 | 62.3 Ų | 62.3 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.9 | -33.7 | 175.6 | -167.2 | -177.5 | -0.5 | 0 | 0 | 111.8 | Y248 H249 | Q245-Y248 PolarHBondContact O-N 3.46Å; Q245-H249 PolarHBondContact NE2-NE2 3.41Å; Q245-H249 PolarHBondContact O-CD2 2.87Å; Q245-H249 PolarHBondContact O-N 3.42Å |
| 246 | S | 56.5 | Low | 55 | Low | 76 Ų | 76 | 67 Ų | 67 | 53% | 0.531 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 176.9 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | D244 Y248 H249 E250 | D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å; S246-Y248 VanDerWaalsContact C-N 3.28Å; S246-Y248 PolarHBondContact O-N 3.45Å; S246-H249 PolarHBondContact O-N 3.08Å; S246-E250 WeakPolarHBondContact O-CB 3.44Å; S246-E250 PolarHBondContact O-N 2.99Å |
| 247 | E | 61 | Low | 55.5 | Low | 41 Ų | 41 | 71.8 Ų | 71.8 | 19% | 0.192 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -34.7 | 177.4 | -70.6 | 179 | -177.2 | 0 | 0 | 109.7 | L242 D244 E250 L251 R414 | L242-E247 HydrophobicContact CD2-CB 3.56Å; L242-E247 VanDerWaalsContact CD2-O 3.27Å; L242-E247 WeakPolarHBondContact CD2-O 3.48Å; L242-E247 HydrophobicContact CG-CB 4.26Å; D244-E247 HydrophobicContact CB-CG 4.47Å; D244-E247 PolarHBondContact O-N 3.15Å; E247-E250 PolarHBondContact O-N 3.31Å; E247-L251 PolarHBondContact O-N 3.13Å; E247-R414 IonicContact OE1-CZ 3.52Å; E247-R414 IonicContact OE1-NH1 3.58Å; E247-R414 PolarHBondContact OE1-NH1 2.98Å; E247-R414 IonicContact OE1-NH2 3.85Å; E247-R414 PolarHBondContact OE1-NH2 2.97Å; E247-R414 IonicContact OE2-NH2 3.59Å |
| 248 | Y | 62.3 | Low | 55.9 | Low | 26 Ų | 26 | 70.3 Ų | 70.3 | 10% | 0.102 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 176.3 | -88.5 | -85.2 | 0 | 0 | 0 | 111.1 | L242 D244 Q245 S246 E250 L251 C252 Y269 K272 | L242-Y248 HydrophobicContact CB-CD2 3.42Å; L242-Y248 VanDerWaalsContact CB-CD2 3.42Å; L242-Y248 HydrophobicContact CB-CE1 4.19Å; L242-Y248 HydrophobicContact CB-CE2 3.06Å; L242-Y248 HydrophobicContact CB-CG 4.16Å; L242-Y248 VanDerWaalsContact CB-CZ 3.45Å; L242-Y248 HydrophobicContact CD1-CD1 4.3Å; L242-Y248 HydrophobicContact CD1-CE1 3.98Å; L242-Y248 HydrophobicContact CD1-CE2 4.36Å; L242-Y248 HydrophobicContact CD2-CD1 3.92Å; L242-Y248 HydrophobicContact CD2-CD2 3.52Å; L242-Y248 HydrophobicContact CD2-CE1 4.3Å; L242-Y248 HydrophobicContact CD2-CE2 3.99Å; L242-Y248 HydrophobicContact CD2-CG 3.49Å; L242-Y248 VanDerWaalsContact CD2-CG 3.49Å; L242-Y248 HydrophobicContact CG-CD2 4.05Å; L242-Y248 HydrophobicContact CG-CE1 4.43Å; L242-Y248 HydrophobicContact CG-CE2 4.01Å; L242-Y248 HydrophobicContact CG-CG 4.32Å; L242-Y248 WeakPolarHBondContact O-CE2 3.48Å; D244-Y248 PolarHBondContact O-N 2.88Å; Q245-Y248 PolarHBondContact O-N 3.46Å; S246-Y248 VanDerWaalsContact C-N 3.28Å; S246-Y248 PolarHBondContact O-N 3.45Å; Y248-E250 VanDerWaalsContact C-N 3.29Å; Y248-E250 PolarHBondContact O-N 3.47Å; Y248-L251 PolarHBondContact O-N 3.24Å; Y248-C252 WeakPolarHBondContact O-CB 3.44Å; Y248-C252 PolarHBondContact O-N 3.31Å; Y248-C252 PolarHBondContact O-SG 3.06Å; Y248-Y269 HydrophobicContact CD1-CD2 4.12Å; Y248-Y269 AromaticContact CD2-CD2 3.19Å; Y248-Y269 HydrophobicContact CD2-CD2 3.19Å; Y248-Y269 AromaticContact CD2-CE2 3.31Å; Y248-Y269 HydrophobicContact CD2-CE2 3.31Å; Y248-Y269 HydrophobicContact CD2-CG 4.48Å; Y248-Y269 HydrophobicContact CE1-CD2 4.34Å; Y248-Y269 AromaticContact CE2-CD2 3.38Å; Y248-Y269 HydrophobicContact CE2-CD2 3.38Å; Y248-Y269 AromaticContact CE2-CE2 3.37Å; Y248-Y269 HydrophobicContact CE2-CE2 3.37Å; Y248-Y269 AromaticContact CG-CD2 3.56Å; Y248-Y269 HydrophobicContact CG-CD2 3.56Å; Y248-Y269 HydrophobicContact CG-CE2 4.15Å; Y248-Y269 AromaticContact CZ-CD2 3.99Å; Y248-K272 HydrophobicContact CE1-CD 4.19Å; Y248-K272 WeakPolarHBondContact OH-CD 3.12Å; Y248-K272 WeakPolarHBondContact OH-CE 3.25Å; Y248-K272 PolarHBondContact OH-NZ 2.6Å |
| 249 | H | 62.4 | Low | 56.3 | Low | 59 Ų | 59 | 71.8 Ų | 71.8 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.3 | -37.2 | 174.7 | -74.8 | -56.9 | 0 | 0 | 0 | 111.9 | Q245 S246 C252 S253 D266 | Q245-H249 PolarHBondContact NE2-NE2 3.41Å; Q245-H249 PolarHBondContact O-CD2 2.87Å; Q245-H249 PolarHBondContact O-N 3.42Å; S246-H249 PolarHBondContact O-N 3.08Å; H249-C252 PolarHBondContact O-N 3.36Å; H249-S253 WeakPolarHBondContact O-CB 3.19Å; H249-S253 PolarHBondContact O-N 3.08Å; H249-S253 PolarHBondContact O-OG 3.19Å; H249-D266 IonicContact CE1-OD1 2.94Å; H249-D266 PolarHBondContact CE1-OD1 3.15Å; H249-D266 IonicContact NE2-OD1 3.41Å |
| 250 | E | 64.7 | Low | 56.8 | Low | 127 Ų | 127 | 74.2 Ų | 74.2 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.8 | -48.6 | 176.8 | -160.6 | 166.5 | -162.4 | 0 | 0 | 111.2 | S246 E247 Y248 C252 S253 E254 | S246-E250 WeakPolarHBondContact O-CB 3.44Å; S246-E250 PolarHBondContact O-N 2.99Å; E247-E250 PolarHBondContact O-N 3.31Å; Y248-E250 VanDerWaalsContact C-N 3.29Å; Y248-E250 PolarHBondContact O-N 3.47Å; E250-C252 PolarHBondContact O-N 2.96Å; E250-S253 WeakPolarHBondContact CA-OG 3.44Å; E250-S253 WeakPolarHBondContact O-CA 3.4Å; E250-S253 WeakPolarHBondContact O-CB 3.32Å; E250-S253 PolarHBondContact O-N 3.01Å; E250-S253 PolarHBondContact O-OG 2.9Å; E250-E254 PolarHBondContact O-N 3.26Å; E250-E254 VanDerWaalsContact O-N 3.08Å |
| 251 | L | 61 | Low | 57.5 | Low | 36 Ų | 36 | 73.3 Ų | 73.3 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 174.2 | -106.1 | 149.3 | 0 | 0 | 0 | 113.6 | L236 E239 L242 E247 Y248 S253 N255 | L236-L251 HydrophobicContact CD2-CD2 3.56Å; E239-L251 HydrophobicContact CB-CD1 4.19Å; E239-L251 HydrophobicContact CG-CD1 4.11Å; E239-L251 HydrophobicContact CG-CD2 4.27Å; L242-L251 HydrophobicContact CD1-CD1 3.84Å; L242-L251 HydrophobicContact CD2-CD1 3.87Å; L242-L251 HydrophobicContact CG-CD1 4.19Å; E247-L251 PolarHBondContact O-N 3.13Å; Y248-L251 PolarHBondContact O-N 3.24Å; L251-S253 VanDerWaalsContact C-N 3.27Å; L251-S253 PolarHBondContact O-N 3.22Å; L251-N255 PolarHBondContact O-ND2 2.8Å |
| 252 | C | 61.7 | Low | 58.4 | Low | 20 Ų | 20 | 77 Ų | 77 | 14% | 0.135 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.5 | -29.9 | 171.8 | -72 | 0 | 0 | 0 | 0 | 111.7 | Y248 H249 E250 N255 I258 C265 | Y248-C252 WeakPolarHBondContact O-CB 3.44Å; Y248-C252 PolarHBondContact O-N 3.31Å; Y248-C252 PolarHBondContact O-SG 3.06Å; H249-C252 PolarHBondContact O-N 3.36Å; E250-C252 PolarHBondContact O-N 2.96Å; C252-N255 PolarHBondContact O-N 2.84Å; C252-I258 HydrophobicContact CB-CG2 3.69Å; C252-C265 HydrophobicContact CB-CB 4.33Å |
| 253 | S | 61 | Low | 59.6 | Low | 64 Ų | 64 | 80.8 Ų | 80.8 | 45% | 0.448 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77.1 | -28 | -179.8 | 77.2 | 0 | 0 | 0 | 0 | 113.5 | H249 E250 L251 N255 | H249-S253 WeakPolarHBondContact O-CB 3.19Å; H249-S253 PolarHBondContact O-N 3.08Å; H249-S253 PolarHBondContact O-OG 3.19Å; E250-S253 WeakPolarHBondContact CA-OG 3.44Å; E250-S253 WeakPolarHBondContact O-CA 3.4Å; E250-S253 WeakPolarHBondContact O-CB 3.32Å; E250-S253 PolarHBondContact O-N 3.01Å; E250-S253 PolarHBondContact O-OG 2.9Å; L251-S253 VanDerWaalsContact C-N 3.27Å; L251-S253 PolarHBondContact O-N 3.22Å; S253-N255 PolarHBondContact O-N 3.35Å |
| 254 | E | 62.8 | Low | 60.4 | Low | 150 Ų | 150 | 80 Ų | 80 | 70% | 0.701 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.3 | -27.1 | 171.4 | -71.1 | -172.8 | 161.6 | 0 | 0 | 112.1 | E250 E256 | E250-E254 PolarHBondContact O-N 3.26Å; E250-E254 VanDerWaalsContact O-N 3.08Å; E254-E256 PolarHBondContact O-N 3.43Å |
| 255 | N | 58.2 | Low | 61 | Low | 54 Ų | 54 | 77.2 Ų | 77.2 | 29% | 0.289 | 39% | 0.39 | S | S | . | . | trans | -88.5 | 99.3 | 173.9 | -76 | -74.3 | 0 | 0 | 0 | 111 | L236 L251 C252 S253 F257 I258 K259 | L236-N255 WeakPolarHBondContact CD1-ND2 3.38Å; L236-N255 VanDerWaalsContact CD2-ND2 3.31Å; L236-N255 WeakPolarHBondContact CD2-ND2 3.31Å; L251-N255 PolarHBondContact O-ND2 2.8Å; C252-N255 PolarHBondContact O-N 2.84Å; S253-N255 PolarHBondContact O-N 3.35Å; N255-F257 PolarHBondContact O-N 3.45Å; N255-I258 HydrophobicContact CB-CB 4.06Å; N255-I258 HydrophobicContact CB-CD1 3.84Å; N255-I258 HydrophobicContact CB-CG1 3.97Å; N255-I258 PolarHBondContact O-N 3.17Å; N255-K259 PolarHBondContact O-N 3.35Å; N255-K259 VanDerWaalsContact O-N 3.11Å | ||
| 256 | E | 57.1 | Low | 61.6 | Low | 162 Ų | 162 | 75 Ų | 75 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -51.1 | -29.7 | 177.3 | -74 | -171.5 | 154.7 | 0 | 0 | 113.6 | E254 | E254-E256 PolarHBondContact O-N 3.43Å |
| 257 | F | 55.9 | Low | 62.6 | Low | 142 Ų | 142 | 73.7 Ų | 73.7 | 62% | 0.623 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -72.4 | -29.8 | 179.2 | -137.1 | -80.2 | 0 | 0 | 0 | 113.5 | F229 N255 | F229-F257 AromaticContact CD2-CD1 3.56Å; F229-F257 HydrophobicContact CD2-CD1 3.56Å; F229-F257 HydrophobicContact CD2-CE1 4.11Å; F229-F257 AromaticContact CE2-CD1 3.96Å; F229-F257 HydrophobicContact CE2-CD1 3.96Å; N255-F257 PolarHBondContact O-N 3.45Å |
| 258 | I | 54 | Low | 63.1 | Low | 5 Ų | 5 | 74.2 Ų | 74.2 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -87.6 | -33.7 | -178.8 | -66.3 | 178.8 | 0 | 0 | 0 | 110.6 | F229 L236 C252 N255 N260 N261 C265 | F229-I258 HydrophobicContact CE2-CG1 3.81Å; F229-I258 HydrophobicContact CZ-CG1 4.07Å; L236-I258 HydrophobicContact CD1-CD1 3.53Å; C252-I258 HydrophobicContact CB-CG2 3.69Å; N255-I258 HydrophobicContact CB-CB 4.06Å; N255-I258 HydrophobicContact CB-CD1 3.84Å; N255-I258 HydrophobicContact CB-CG1 3.97Å; N255-I258 PolarHBondContact O-N 3.17Å; I258-N260 PolarHBondContact O-N 2.99Å; I258-N261 PolarHBondContact O-N 3.42Å; I258-C265 WeakPolarHBondContact CG2-SG 3.29Å |
| 259 | K | 52.7 | Low | 63.7 | Low | 124 Ų | 124 | 74.8 Ų | 74.8 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -47.4 | -32.6 | 178.3 | -170.8 | 177 | -179.4 | 176.5 | 0 | 114.3 | N255 N261 | N255-K259 PolarHBondContact O-N 3.35Å; N255-K259 VanDerWaalsContact O-N 3.11Å; K259-N261 VanDerWaalsContact C-N 3.34Å; K259-N261 PolarHBondContact O-N 3.22Å |
| 260 | N | 54.7 | Low | 64.5 | Low | 137 Ų | 137 | 76 Ų | 76 | 73% | 0.733 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -11.4 | -177 | -70.8 | -16.2 | 0 | 0 | 0 | 114.6 | I258 | I258-N260 PolarHBondContact O-N 2.99Š|
| 261 | N | 63.2 | Low | 65.3 | Low | 67 Ų | 67 | 70.7 Ų | 70.7 | 36% | 0.358 | 36% | 0.358 | S | S | . | . | trans | -133.7 | 73.7 | -179.1 | -79.5 | -14.2 | 0 | 0 | 0 | 111.8 | I258 K259 T263 T264 C265 | I258-N261 PolarHBondContact O-N 3.42Å; K259-N261 VanDerWaalsContact C-N 3.34Å; K259-N261 PolarHBondContact O-N 3.22Å; N261-T263 PolarHBondContact O-N 2.82Å; N261-T263 VanDerWaalsContact O-N 3.1Å; N261-T264 WeakPolarHBondContact CB-OG1 3.45Å; N261-T264 WeakPolarHBondContact O-CB 3.26Å; N261-T264 PolarHBondContact O-N 3.4Å; N261-C265 PolarHBondContact O-N 3.31Å | ||
| 262 | H | 62.9 | Low | 66 | Low | 125 Ų | 125 | 70.9 Ų | 70.9 | 58% | 0.579 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -46.8 | -40.4 | 173.8 | -81.9 | -78.8 | 0 | 0 | 0 | 113.4 | T264 C265 D266 | H262-T264 PolarHBondContact O-N 3.44Å; H262-C265 WeakPolarHBondContact O-CB 3.48Å; H262-C265 PolarHBondContact O-N 2.9Å; H262-C265 VanDerWaalsContact O-N 3.11Å; H262-D266 PolarHBondContact O-N 3.16Å |
| 263 | T | 71.4 | Confident | 67 | Low | 87 Ų | 87 | 72.5 Ų | 72.5 | 53% | 0.534 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.9 | -30.9 | 176.7 | 51 | 0 | 0 | 0 | 0 | 113.7 | N261 L267 | N261-T263 PolarHBondContact O-N 2.82Å; N261-T263 VanDerWaalsContact O-N 3.1Å; T263-L267 VanDerWaalsContact O-CG 3.26Å; T263-L267 WeakPolarHBondContact O-CG 3.29Å; T263-L267 PolarHBondContact O-N 3.15Å |
| 264 | T | 68.8 | Low | 68.1 | Low | 10 Ų | 10 | 73 Ų | 73 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -76.4 | -38.2 | 177.6 | -55.4 | 0 | 0 | 0 | 0 | 111 | F229 N261 H262 D266 L267 L268 | F229-T264 HydrophobicContact CE1-CG2 3.75Å; F229-T264 HydrophobicContact CZ-CG2 3.94Å; N261-T264 WeakPolarHBondContact CB-OG1 3.45Å; N261-T264 WeakPolarHBondContact O-CB 3.26Å; N261-T264 PolarHBondContact O-N 3.4Å; H262-T264 PolarHBondContact O-N 3.44Å; T264-D266 VanDerWaalsContact C-N 3.33Å; T264-L267 PolarHBondContact O-N 2.9Å; T264-L268 HydrophobicContact CG2-CD1 4.23Å; T264-L268 VanDerWaalsContact O-CG 3.28Å; T264-L268 WeakPolarHBondContact O-CG 3.32Å; T264-L268 PolarHBondContact O-N 3.12Å |
| 265 | C | 67 | Low | 69.2 | Low | 7 Ų | 7 | 68 Ų | 68 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.4 | -47.6 | 172.8 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | C252 I258 N261 H262 L268 Y269 | C252-C265 HydrophobicContact CB-CB 4.33Å; I258-C265 WeakPolarHBondContact CG2-SG 3.29Å; N261-C265 PolarHBondContact O-N 3.31Å; H262-C265 WeakPolarHBondContact O-CB 3.48Å; H262-C265 PolarHBondContact O-N 2.9Å; H262-C265 VanDerWaalsContact O-N 3.11Å; C265-L268 PolarHBondContact O-N 3.36Å; C265-Y269 WeakPolarHBondContact O-CB 3.02Å; C265-Y269 PolarHBondContact O-N 2.81Å |
| 266 | D | 74.7 | Confident | 70.4 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | -179.2 | -64.1 | -27.1 | 0 | 0 | 0 | 110.9 | H249 H262 T264 L268 Y269 D270 | H249-D266 IonicContact CE1-OD1 2.94Å; H249-D266 PolarHBondContact CE1-OD1 3.15Å; H249-D266 IonicContact NE2-OD1 3.41Å; H262-D266 PolarHBondContact O-N 3.16Å; T264-D266 VanDerWaalsContact C-N 3.33Å; D266-L268 VanDerWaalsContact C-N 3.34Å; D266-L268 PolarHBondContact O-N 2.94Å; D266-Y269 WeakPolarHBondContact O-CB 3.48Å; D266-Y269 PolarHBondContact O-N 2.92Å; D266-D270 WeakPolarHBondContact O-CB 3.46Å; D266-D270 PolarHBondContact O-N 3.15Å |
| 267 | L | 76.4 | Confident | 71.8 | Confident | 48 Ų | 48 | 64.9 Ų | 64.9 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.1 | -73.4 | 170.6 | 0 | 0 | 0 | 113.3 | I219 M220 T263 T264 N271 | I219-L267 HydrophobicContact CG2-CD1 4.48Å; M220-L267 HydrophobicContact CE-CB 3.68Å; T263-L267 VanDerWaalsContact O-CG 3.26Å; T263-L267 WeakPolarHBondContact O-CG 3.29Å; T263-L267 PolarHBondContact O-N 3.15Å; T264-L267 PolarHBondContact O-N 2.9Å; L267-N271 WeakPolarHBondContact O-CB 3.45Å; L267-N271 PolarHBondContact O-N 3.25Å; L267-N271 VanDerWaalsContact O-N 3.1Å |
| 268 | L | 73 | Confident | 73.4 | Confident | 52 Ų | 52 | 58.6 Ų | 58.6 | 27% | 0.272 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 176.8 | -73.8 | 169.8 | 0 | 0 | 0 | 111.5 | M220 T264 C265 D266 K272 | M220-L268 HydrophobicContact CE-CD2 3.95Å; M220-L268 HydrophobicContact CE-CG 4.11Å; T264-L268 HydrophobicContact CG2-CD1 4.23Å; T264-L268 VanDerWaalsContact O-CG 3.28Å; T264-L268 WeakPolarHBondContact O-CG 3.32Å; T264-L268 PolarHBondContact O-N 3.12Å; C265-L268 PolarHBondContact O-N 3.36Å; D266-L268 VanDerWaalsContact C-N 3.34Å; D266-L268 PolarHBondContact O-N 2.94Å; L268-K272 PolarHBondContact O-N 2.81Å; L268-K272 VanDerWaalsContact O-N 3.15Å |
| 269 | Y | 74 | Confident | 74.9 | Confident | 39 Ų | 39 | 60.3 Ų | 60.3 | 15% | 0.153 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.2 | -50.9 | 174.8 | 176.2 | -96.4 | 0 | 0 | 0 | 111.1 | Y248 C265 D266 N271 K272 E273 | Y248-Y269 HydrophobicContact CD1-CD2 4.12Å; Y248-Y269 AromaticContact CD2-CD2 3.19Å; Y248-Y269 HydrophobicContact CD2-CD2 3.19Å; Y248-Y269 AromaticContact CD2-CE2 3.31Å; Y248-Y269 HydrophobicContact CD2-CE2 3.31Å; Y248-Y269 HydrophobicContact CD2-CG 4.48Å; Y248-Y269 HydrophobicContact CE1-CD2 4.34Å; Y248-Y269 AromaticContact CE2-CD2 3.38Å; Y248-Y269 HydrophobicContact CE2-CD2 3.38Å; Y248-Y269 AromaticContact CE2-CE2 3.37Å; Y248-Y269 HydrophobicContact CE2-CE2 3.37Å; Y248-Y269 AromaticContact CG-CD2 3.56Å; Y248-Y269 HydrophobicContact CG-CD2 3.56Å; Y248-Y269 HydrophobicContact CG-CE2 4.15Å; Y248-Y269 AromaticContact CZ-CD2 3.99Å; C265-Y269 WeakPolarHBondContact O-CB 3.02Å; C265-Y269 PolarHBondContact O-N 2.81Å; D266-Y269 WeakPolarHBondContact O-CB 3.48Å; D266-Y269 PolarHBondContact O-N 2.92Å; Y269-N271 VanDerWaalsContact C-N 3.33Å; Y269-N271 PolarHBondContact O-N 2.88Å; Y269-K272 PolarHBondContact O-N 2.52Å; Y269-K272 VanDerWaalsContact O-N 3.16Å; Y269-E273 VanDerWaalsContact CE1-OE2 3.22Å; Y269-E273 WeakPolarHBondContact CE1-OE2 3.45Å; Y269-E273 PolarHBondContact O-N 3.17Å; Y269-E273 PolarHBondContact OH-OE2 2.84Å |
| 270 | D | 78.7 | Confident | 76.6 | Confident | 84 Ų | 84 | 56.2 Ų | 56.2 | 45% | 0.449 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 179.9 | -75.1 | -17.7 | 0 | 0 | 0 | 111.5 | D266 K272 E273 E274 | D266-D270 WeakPolarHBondContact O-CB 3.46Å; D266-D270 PolarHBondContact O-N 3.15Å; D270-K272 PolarHBondContact O-N 3.14Å; D270-E273 PolarHBondContact O-N 3.49Å; D270-E274 WeakPolarHBondContact O-CG 3.24Å; D270-E274 PolarHBondContact O-N 3.28Å |
| 271 | N | 81.1 | Confident | 78.3 | Confident | 15 Ų | 15 | 53 Ų | 53 | 8% | 0.08 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 178.1 | -166.2 | 6.1 | 0 | 0 | 0 | 112.2 | Y209 N213 L267 Y269 E273 E274 M275 | Y209-N271 PolarHBondContact OH-OD1 3.42Å; N213-N271 PolarHBondContact OD1-ND2 3.16Å; L267-N271 WeakPolarHBondContact O-CB 3.45Å; L267-N271 PolarHBondContact O-N 3.25Å; L267-N271 VanDerWaalsContact O-N 3.1Å; Y269-N271 VanDerWaalsContact C-N 3.33Å; Y269-N271 PolarHBondContact O-N 2.88Å; N271-E273 VanDerWaalsContact C-N 3.33Å; N271-E273 PolarHBondContact O-N 3.09Å; N271-E274 PolarHBondContact O-N 3.37Å; N271-M275 WeakPolarHBondContact O-CG 3.32Å; N271-M275 PolarHBondContact O-N 2.75Å |
| 272 | K | 76.8 | Confident | 79.6 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 18% | 0.178 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -35.7 | 176.8 | -176.5 | 166.1 | 168.9 | -164 | 0 | 111.9 | A237 Y248 L268 Y269 D270 F276 | A237-K272 HydrophobicContact CB-CD 4.32Å; A237-K272 WeakPolarHBondContact O-CE 3.29Å; A237-K272 PolarHBondContact O-NZ 2.6Å; Y248-K272 HydrophobicContact CE1-CD 4.19Å; Y248-K272 WeakPolarHBondContact OH-CD 3.12Å; Y248-K272 WeakPolarHBondContact OH-CE 3.25Å; Y248-K272 PolarHBondContact OH-NZ 2.6Å; L268-K272 PolarHBondContact O-N 2.81Å; L268-K272 VanDerWaalsContact O-N 3.15Å; Y269-K272 PolarHBondContact O-N 2.52Å; Y269-K272 VanDerWaalsContact O-N 3.16Å; D270-K272 PolarHBondContact O-N 3.14Å; K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.01Å |
| 273 | E | 81.7 | Confident | 81 | Confident | 54 Ų | 54 | 47.1 Ų | 47.1 | 25% | 0.252 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65 | -43.4 | 173.4 | -169.5 | 177.4 | 150.6 | 0 | 0 | 111.5 | Y269 D270 N271 F276 K277 | Y269-E273 VanDerWaalsContact CE1-OE2 3.22Å; Y269-E273 WeakPolarHBondContact CE1-OE2 3.45Å; Y269-E273 PolarHBondContact O-N 3.17Å; Y269-E273 PolarHBondContact OH-OE2 2.84Å; D270-E273 PolarHBondContact O-N 3.49Å; N271-E273 VanDerWaalsContact C-N 3.33Å; N271-E273 PolarHBondContact O-N 3.09Å; E273-F276 WeakPolarHBondContact O-CB 3.37Å; E273-F276 PolarHBondContact O-N 2.82Å; E273-K277 HydrophobicContact CG-CD 4.38Å; E273-K277 WeakPolarHBondContact O-CG 3.35Å; E273-K277 PolarHBondContact O-N 2.98Å; E273-K277 WeakPolarHBondContact OE1-CE 3.39Å; E273-K277 IonicContact OE1-NZ 3.18Å; E273-K277 PolarHBondContact OE1-NZ 3.33Å |
| 274 | E | 84.4 | Confident | 81.9 | Confident | 73 Ų | 73 | 47.6 Ų | 47.6 | 34% | 0.341 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.1 | -72.1 | -169.7 | 164.9 | 0 | 0 | 112.3 | Y209 D270 N271 F276 K277 L278 | Y209-E274 HydrophobicContact CD2-CB 4.32Å; Y209-E274 HydrophobicContact CE2-CB 3.73Å; Y209-E274 WeakPolarHBondContact CE2-OE2 3.38Å; D270-E274 WeakPolarHBondContact O-CG 3.24Å; D270-E274 PolarHBondContact O-N 3.28Å; N271-E274 PolarHBondContact O-N 3.37Å; E274-F276 VanDerWaalsContact C-N 3.28Å; E274-F276 PolarHBondContact O-N 3.27Å; E274-K277 PolarHBondContact O-N 3.3Å; E274-L278 WeakPolarHBondContact O-CB 3.19Å; E274-L278 PolarHBondContact O-N 3.12Å |
| 275 | M | 86 | Confident | 83.2 | Confident | 46 Ų | 46 | 47.8 Ų | 47.8 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.7 | -44 | 174.6 | -72.9 | 175.2 | 72.2 | 0 | 0 | 111.3 | Y209 N271 L278 R279 D335 P336 | Y209-M275 WeakPolarHBondContact OH-CG 3.45Å; N271-M275 WeakPolarHBondContact O-CG 3.32Å; N271-M275 PolarHBondContact O-N 2.75Å; M275-L278 PolarHBondContact O-N 3.14Å; M275-R279 WeakPolarHBondContact O-CG 3.08Å; M275-R279 PolarHBondContact O-N 3.1Å; M275-D335 WeakPolarHBondContact CE-O 3.35Å; M275-P336 HydrophobicContact CG-CB 4.48Å |
| 276 | F | 84.7 | Confident | 84.5 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.3 | -48.6 | 177.1 | 175.7 | -92.7 | 0 | 0 | 0 | 112.1 | K272 E273 E274 L278 R279 K280 A404 R408 | K272-F276 WeakPolarHBondContact O-CB 3.44Å; K272-F276 PolarHBondContact O-N 3.01Å; E273-F276 WeakPolarHBondContact O-CB 3.37Å; E273-F276 PolarHBondContact O-N 2.82Å; E274-F276 VanDerWaalsContact C-N 3.28Å; E274-F276 PolarHBondContact O-N 3.27Å; F276-L278 VanDerWaalsContact C-N 3.29Å; F276-L278 PolarHBondContact O-N 2.68Å; F276-R279 PolarHBondContact O-N 2.87Å; F276-K280 HydrophobicContact CD1-CG 4.36Å; F276-K280 HydrophobicContact CE1-CG 3.91Å; F276-K280 HydrophobicContact CE2-CG 4.35Å; F276-K280 HydrophobicContact CZ-CD 4.34Å; F276-K280 HydrophobicContact CZ-CG 3.91Å; F276-K280 WeakPolarHBondContact O-CG 3.38Å; F276-K280 PolarHBondContact O-N 2.94Å; F276-K280 VanDerWaalsContact O-N 3.07Å; F276-A404 HydrophobicContact CE1-CB 4.18Å; F276-A404 HydrophobicContact CZ-CB 3.71Å; F276-R408 VanDerWaalsContact CE2-CZ 3.5Å |
| 277 | K | 85.8 | Confident | 85.6 | Confident | 119 Ų | 119 | 46 Ų | 46 | 52% | 0.517 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -42.6 | 177.1 | -74.8 | 172.6 | -178.5 | 166 | 0 | 111.1 | E273 E274 K280 L281 | E273-K277 HydrophobicContact CG-CD 4.38Å; E273-K277 WeakPolarHBondContact O-CG 3.35Å; E273-K277 PolarHBondContact O-N 2.98Å; E273-K277 WeakPolarHBondContact OE1-CE 3.39Å; E273-K277 IonicContact OE1-NZ 3.18Å; E273-K277 PolarHBondContact OE1-NZ 3.33Å; E274-K277 PolarHBondContact O-N 3.3Å; K277-K280 PolarHBondContact O-N 2.92Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 PolarHBondContact O-N 3.49Å |
| 278 | L | 88.4 | Confident | 86.5 | Confident | 10 Ų | 10 | 46.3 Ų | 46.3 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 176.8 | -172.1 | 68.3 | 0 | 0 | 0 | 110.9 | I205 Y209 E274 M275 F276 K280 L281 F282 P336 F337 | I205-L278 HydrophobicContact CG2-CD1 3.78Å; Y209-L278 HydrophobicContact CD1-CD2 3.78Å; Y209-L278 HydrophobicContact CE1-CD2 4.22Å; Y209-L278 HydrophobicContact CG-CD2 3.95Å; E274-L278 WeakPolarHBondContact O-CB 3.19Å; E274-L278 PolarHBondContact O-N 3.12Å; M275-L278 PolarHBondContact O-N 3.14Å; F276-L278 VanDerWaalsContact C-N 3.29Å; F276-L278 PolarHBondContact O-N 2.68Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 2.79Å; L278-L281 WeakPolarHBondContact O-CB 3.28Å; L278-L281 PolarHBondContact O-N 2.63Å; L278-F282 HydrophobicContact CD1-CD2 4.22Å; L278-F282 HydrophobicContact CD1-CE2 3.74Å; L278-F282 HydrophobicContact CG-CD2 4.31Å; L278-F282 HydrophobicContact CG-CE2 4.11Å; L278-F282 VanDerWaalsContact O-CD2 3.25Å; L278-F282 WeakPolarHBondContact O-CD2 3.47Å; L278-F282 PolarHBondContact O-N 3.35Å; L278-F282 VanDerWaalsContact O-N 3.14Å; L278-P336 HydrophobicContact CD2-CB 3.85Å; L278-F337 HydrophobicContact CD2-CE1 4.07Å; L278-F337 HydrophobicContact CD2-CZ 3.95Å; L278-F337 HydrophobicContact CG-CE1 3.99Å; L278-F337 HydrophobicContact CG-CZ 4.24Å |
| 279 | R | 87.5 | Confident | 87.7 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.9 | -48.2 | 176 | -71.6 | -169.1 | -55.7 | -118 | 1.4 | 111.7 | M275 F276 L281 F282 H283 F337 R338 | M275-R279 WeakPolarHBondContact O-CG 3.08Å; M275-R279 PolarHBondContact O-N 3.1Å; F276-R279 PolarHBondContact O-N 2.87Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-L281 PolarHBondContact O-N 2.97Å; R279-F282 WeakPolarHBondContact O-CB 3.2Å; R279-F282 PolarHBondContact O-N 3.46Å; R279-F282 VanDerWaalsContact O-N 3.14Å; R279-H283 PolarHBondContact O-N 3.4Å; R279-H283 PolarHBondContact O-ND1 3.46Å; R279-F337 WeakPolarHBondContact CD-O 3.25Å; R279-F337 HydrophobicContact CG-CD1 4.18Å; R279-R338 PolarHBondContact NH1-O 3.37Å |
| 280 | K | 88.3 | Confident | 88.9 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | -179.2 | -64.5 | -60.6 | 175.8 | -171 | 0 | 112.8 | F276 K277 L278 F282 H283 F284 D400 A404 | F276-K280 HydrophobicContact CD1-CG 4.36Å; F276-K280 HydrophobicContact CE1-CG 3.91Å; F276-K280 HydrophobicContact CE2-CG 4.35Å; F276-K280 HydrophobicContact CZ-CD 4.34Å; F276-K280 HydrophobicContact CZ-CG 3.91Å; F276-K280 WeakPolarHBondContact O-CG 3.38Å; F276-K280 PolarHBondContact O-N 2.94Å; F276-K280 VanDerWaalsContact O-N 3.07Å; K277-K280 PolarHBondContact O-N 2.92Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 2.79Å; K280-F282 VanDerWaalsContact C-N 3.29Å; K280-F282 PolarHBondContact O-N 2.76Å; K280-H283 PolarHBondContact O-N 2.87Å; K280-F284 PolarHBondContact O-N 3.21Å; K280-D400 IonicContact NZ-OD1 3.15Å; K280-D400 PolarHBondContact NZ-OD1 3.18Å; K280-D400 IonicContact NZ-OD2 3.72Å; K280-D400 PolarHBondContact NZ-OD2 2.91Å; K280-A404 HydrophobicContact CD-CB 4.18Å; K280-A404 HydrophobicContact CG-CB 4.39Å |
| 281 | L | 89.7 | Confident | 89.8 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 36% | 0.356 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -57.9 | -42.8 | 172.3 | 178.4 | 68.5 | 0 | 0 | 0 | 111.7 | I205 K277 L278 R279 F284 A285 | I205-L281 HydrophobicContact CD1-CD2 3.63Å; I205-L281 HydrophobicContact CG2-CD2 3.89Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 PolarHBondContact O-N 3.49Å; L278-L281 WeakPolarHBondContact O-CB 3.28Å; L278-L281 PolarHBondContact O-N 2.63Å; R279-L281 VanDerWaalsContact C-N 3.34Å; R279-L281 PolarHBondContact O-N 2.97Å; L281-F284 PolarHBondContact O-N 3.16Å; L281-A285 WeakPolarHBondContact O-CB 3.36Å; L281-A285 PolarHBondContact O-N 3.02Å |
| 282 | F | 90.9 | Very high | 90.5 | Very high | 53 Ų | 53 | 41.5 Ų | 41.5 | 23% | 0.232 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.1 | -36.4 | 177.6 | -84.9 | -108.1 | 0 | 0 | 0 | 112.8 | C202 T206 L278 R279 K280 F284 A285 A286 F337 | C202-F282 HydrophobicContact CB-CE1 3.82Å; C202-F282 HydrophobicContact CB-CE2 4.48Å; C202-F282 HydrophobicContact CB-CZ 3.75Å; T206-F282 WeakPolarHBondContact OG1-CZ 3.28Å; L278-F282 HydrophobicContact CD1-CD2 4.22Å; L278-F282 HydrophobicContact CD1-CE2 3.74Å; L278-F282 HydrophobicContact CG-CD2 4.31Å; L278-F282 HydrophobicContact CG-CE2 4.11Å; L278-F282 VanDerWaalsContact O-CD2 3.25Å; L278-F282 WeakPolarHBondContact O-CD2 3.47Å; L278-F282 PolarHBondContact O-N 3.35Å; L278-F282 VanDerWaalsContact O-N 3.14Å; R279-F282 WeakPolarHBondContact O-CB 3.2Å; R279-F282 PolarHBondContact O-N 3.46Å; R279-F282 VanDerWaalsContact O-N 3.14Å; K280-F282 VanDerWaalsContact C-N 3.29Å; K280-F282 PolarHBondContact O-N 2.76Å; F282-F284 VanDerWaalsContact C-N 3.31Å; F282-A285 PolarHBondContact O-N 3.24Å; F282-A286 WeakPolarHBondContact O-CB 3.4Å; F282-A286 PolarHBondContact O-N 3.32Å; F282-F337 HydrophobicContact CB-CE1 4.46Å; F282-F337 HydrophobicContact CD1-CE1 4.03Å; F282-F337 HydrophobicContact CD1-CZ 4.37Å; F282-F337 AromaticContact CD2-CE1 3.58Å; F282-F337 HydrophobicContact CD2-CE1 3.58Å; F282-F337 HydrophobicContact CD2-CZ 4.12Å; F282-F337 HydrophobicContact CE1-CE1 4.12Å; F282-F337 AromaticContact CE1-CZ 3.99Å; F282-F337 HydrophobicContact CE1-CZ 3.99Å; F282-F337 AromaticContact CE2-CE1 3.67Å; F282-F337 HydrophobicContact CE2-CE1 3.67Å; F282-F337 AromaticContact CE2-CZ 3.71Å; F282-F337 HydrophobicContact CE2-CZ 3.71Å; F282-F337 AromaticContact CG-CE1 3.75Å; F282-F337 HydrophobicContact CG-CE1 3.75Å; F282-F337 HydrophobicContact CG-CZ 4.42Å; F282-F337 AromaticContact CZ-CE1 3.94Å; F282-F337 HydrophobicContact CZ-CE1 3.94Å; F282-F337 AromaticContact CZ-CZ 3.64Å; F282-F337 HydrophobicContact CZ-CZ 3.64Å |
| 283 | H | 90.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.2 | -69.6 | 47.9 | 0 | 0 | 0 | 110.5 | R279 K280 A286 G287 L353 I396 D400 N469 | R279-H283 PolarHBondContact O-N 3.4Å; R279-H283 PolarHBondContact O-ND1 3.46Å; K280-H283 PolarHBondContact O-N 2.87Å; H283-A286 PolarHBondContact O-N 2.72Å; H283-G287 PolarHBondContact O-N 3.4Å; H283-L353 HydrophobicContact CB-CD1 4.15Å; H283-L353 VanDerWaalsContact CD2-CD1 3.44Å; H283-L353 WeakPolarHBondContact CD2-CD1 3.45Å; H283-L353 VanDerWaalsContact CE1-CD1 3.46Å; H283-L353 WeakPolarHBondContact CE1-CD1 3.38Å; H283-L353 WeakPolarHBondContact ND1-CD1 3.42Å; H283-L353 WeakPolarHBondContact NE2-CD1 3.43Å; H283-I396 HydrophobicContact CB-CG2 4.34Å; H283-D400 IonicContact CD2-OD2 2.8Å; H283-N469 PolarHBondContact NE2-ND2 3.4Å |
| 284 | F | 91.7 | Very high | 92.2 | Very high | 97 Ų | 97 | 37 Ų | 37 | 43% | 0.425 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.9 | -171.1 | -106.6 | 0 | 0 | 0 | 112.4 | K280 L281 F282 A286 G287 I288 | K280-F284 PolarHBondContact O-N 3.21Å; L281-F284 PolarHBondContact O-N 3.16Å; F282-F284 VanDerWaalsContact C-N 3.31Å; F284-A286 PolarHBondContact O-N 3.21Å; F284-G287 WeakPolarHBondContact O-CA 3.5Å; F284-G287 PolarHBondContact O-N 3.22Å; F284-I288 HydrophobicContact CD1-CD1 3.97Å; F284-I288 HydrophobicContact CD1-CG1 4.5Å; F284-I288 HydrophobicContact CE1-CD1 3.7Å; F284-I288 HydrophobicContact CE1-CG1 4.27Å; F284-I288 HydrophobicContact CZ-CD1 4.43Å; F284-I288 PolarHBondContact O-N 2.71Å |
| 285 | A | 94.6 | Very high | 92.7 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.9 | -43.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L281 F282 G287 I288 V289 | L281-A285 WeakPolarHBondContact O-CB 3.36Å; L281-A285 PolarHBondContact O-N 3.02Å; F282-A285 PolarHBondContact O-N 3.24Å; A285-G287 VanDerWaalsContact C-N 3.28Å; A285-G287 PolarHBondContact O-N 2.88Å; A285-I288 PolarHBondContact O-N 2.98Å; A285-I288 VanDerWaalsContact O-N 3.16Å; A285-V289 PolarHBondContact O-N 3.46Å; A285-V289 VanDerWaalsContact O-N 3.11Å |
| 286 | A | 96 | Very high | 93 | Very high | 23 Ų | 23 | 41 Ų | 41 | 19% | 0.19 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F282 H283 F284 I288 V289 Y290 L353 L357 | F282-A286 WeakPolarHBondContact O-CB 3.4Å; F282-A286 PolarHBondContact O-N 3.32Å; H283-A286 PolarHBondContact O-N 2.72Å; F284-A286 PolarHBondContact O-N 3.21Å; A286-I288 VanDerWaalsContact C-N 3.33Å; A286-I288 PolarHBondContact O-N 3.25Å; A286-V289 PolarHBondContact O-N 2.81Å; A286-Y290 WeakPolarHBondContact O-CD2 3.25Å; A286-Y290 PolarHBondContact O-N 3.1Å; A286-L353 HydrophobicContact CB-CD2 3.93Å; A286-L357 HydrophobicContact CB-CD1 3.76Å |
| 287 | G | 96.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54 | -43.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H283 F284 A285 Y290 S291 | H283-G287 PolarHBondContact O-N 3.4Å; F284-G287 WeakPolarHBondContact O-CA 3.5Å; F284-G287 PolarHBondContact O-N 3.22Å; A285-G287 VanDerWaalsContact C-N 3.28Å; A285-G287 PolarHBondContact O-N 2.88Å; G287-Y290 PolarHBondContact O-N 3.02Å; G287-S291 VanDerWaalsContact O-CB 3.28Å; G287-S291 WeakPolarHBondContact O-CB 3.08Å; G287-S291 PolarHBondContact O-N 3.21Å; G287-S291 PolarHBondContact O-OG 3.14Å |
| 288 | I | 96.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 35.4 Ų | 35.4 | 28% | 0.282 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.2 | -43.4 | 177.5 | -63.5 | 171.5 | 0 | 0 | 0 | 110.8 | F194 L198 F284 A285 A286 S291 S292 | F194-I288 HydrophobicContact CE1-CG2 3.86Å; F194-I288 HydrophobicContact CZ-CG2 3.72Å; L198-I288 HydrophobicContact CD1-CB 4.26Å; L198-I288 HydrophobicContact CD1-CG2 3.67Å; F284-I288 HydrophobicContact CD1-CD1 3.97Å; F284-I288 HydrophobicContact CD1-CG1 4.5Å; F284-I288 HydrophobicContact CE1-CD1 3.7Å; F284-I288 HydrophobicContact CE1-CG1 4.27Å; F284-I288 HydrophobicContact CZ-CD1 4.43Å; F284-I288 PolarHBondContact O-N 2.71Å; A285-I288 PolarHBondContact O-N 2.98Å; A285-I288 VanDerWaalsContact O-N 3.16Å; A286-I288 VanDerWaalsContact C-N 3.33Å; A286-I288 PolarHBondContact O-N 3.25Å; I288-S291 PolarHBondContact O-N 3.14Å; I288-S292 WeakPolarHBondContact O-CB 3.08Å; I288-S292 PolarHBondContact O-N 3.38Å; I288-S292 PolarHBondContact O-OG 3.35Å |
| 289 | V | 97.8 | Very high | 93.8 | Very high | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.218 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -47.8 | 176.8 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | W195 L198 A285 A286 S292 G293 L301 | W195-V289 HydrophobicContact CD2-CG1 4.02Å; W195-V289 HydrophobicContact CG-CG1 4.15Å; W195-V289 HydrophobicContact CG-CG2 4.34Å; W195-V289 HydrophobicContact CZ2-CG1 4.29Å; L198-V289 HydrophobicContact CD1-CG2 4.11Å; A285-V289 PolarHBondContact O-N 3.46Å; A285-V289 VanDerWaalsContact O-N 3.11Å; A286-V289 PolarHBondContact O-N 2.81Å; V289-S292 PolarHBondContact O-OG 3.11Å; V289-G293 PolarHBondContact O-N 3.45Å; V289-L301 HydrophobicContact CG1-CD1 4.44Å |
| 290 | Y | 98.1 | Very high | 94 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 4% | 0.043 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.5 | -39.3 | 178.8 | -85.6 | -102.9 | 0 | 0 | 0 | 112.8 | A286 G287 G293 L294 L301 S305 L354 L357 S358 V361 | A286-Y290 WeakPolarHBondContact O-CD2 3.25Å; A286-Y290 PolarHBondContact O-N 3.1Å; G287-Y290 PolarHBondContact O-N 3.02Å; Y290-G293 PolarHBondContact O-N 3.24Å; Y290-L294 WeakPolarHBondContact O-CB 3.46Å; Y290-L294 VanDerWaalsContact O-CG 3.31Å; Y290-L294 WeakPolarHBondContact O-CG 3.48Å; Y290-L294 PolarHBondContact O-N 2.94Å; Y290-L301 HydrophobicContact CD1-CD1 4.01Å; Y290-L301 HydrophobicContact CD1-CD2 3.77Å; Y290-L301 HydrophobicContact CD1-CG 4.21Å; Y290-L301 HydrophobicContact CD2-CD1 4.22Å; Y290-L301 HydrophobicContact CE1-CD1 4.12Å; Y290-L301 HydrophobicContact CE1-CD2 4.28Å; Y290-L301 HydrophobicContact CE1-CG 4.3Å; Y290-L301 HydrophobicContact CE2-CD1 4.35Å; Y290-L301 HydrophobicContact CG-CD1 4.06Å; Y290-L301 HydrophobicContact CG-CD2 4.28Å; Y290-S305 WeakPolarHBondContact OH-CB 3.48Å; Y290-L354 VanDerWaalsContact OH-CD1 3.24Å; Y290-L354 WeakPolarHBondContact OH-CD1 3.28Å; Y290-L357 HydrophobicContact CD1-CB 3.72Å; Y290-L357 HydrophobicContact CD2-CB 4.03Å; Y290-L357 HydrophobicContact CD2-CD1 3.73Å; Y290-L357 HydrophobicContact CD2-CG 4.36Å; Y290-L357 VanDerWaalsContact CE1-C 3.49Å; Y290-L357 HydrophobicContact CE1-CB 3.53Å; Y290-L357 WeakPolarHBondContact CE1-O 3.28Å; Y290-L357 HydrophobicContact CE2-CB 3.84Å; Y290-L357 HydrophobicContact CE2-CD1 3.82Å; Y290-L357 HydrophobicContact CE2-CG 4.44Å; Y290-L357 HydrophobicContact CG-CB 3.97Å; Y290-L357 HydrophobicContact CG-CD1 4.26Å; Y290-L357 HydrophobicContact CG-CD2 4.38Å; Y290-L357 HydrophobicContact CG-CG 4.45Å; Y290-S358 PolarHBondContact OH-OG 3.06Å; Y290-V361 HydrophobicContact CD1-CG2 4.43Å; Y290-V361 HydrophobicContact CE1-CG2 4.46Å |
| 291 | S | 97.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 33.5 Ų | 33.5 | 22% | 0.217 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -49.1 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | G287 I288 G293 L294 L295 V393 | G287-S291 VanDerWaalsContact O-CB 3.28Å; G287-S291 WeakPolarHBondContact O-CB 3.08Å; G287-S291 PolarHBondContact O-N 3.21Å; G287-S291 PolarHBondContact O-OG 3.14Å; I288-S291 PolarHBondContact O-N 3.14Å; S291-G293 VanDerWaalsContact C-N 3.35Å; S291-L294 PolarHBondContact O-N 3Å; S291-L295 VanDerWaalsContact O-CG 3.26Å; S291-L295 WeakPolarHBondContact O-CG 3.46Å; S291-L295 PolarHBondContact O-N 3.47Å; S291-V393 WeakPolarHBondContact OG-CG1 3.3Å |
| 292 | S | 97.2 | Very high | 94.5 | Very high | 11 Ų | 11 | 31.4 Ų | 31.4 | 8% | 0.077 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 177.1 | 55.9 | 0 | 0 | 0 | 0 | 111.8 | W195 I288 V289 L295 Y296 | W195-S292 PolarHBondContact NE1-OG 3.34Å; I288-S292 WeakPolarHBondContact O-CB 3.08Å; I288-S292 PolarHBondContact O-N 3.38Å; I288-S292 PolarHBondContact O-OG 3.35Å; V289-S292 PolarHBondContact O-OG 3.11Å; S292-L295 PolarHBondContact O-N 3.49Å; S292-Y296 WeakPolarHBondContact O-CB 3.41Å; S292-Y296 WeakPolarHBondContact O-CD2 3.46Å; S292-Y296 PolarHBondContact O-N 3.16Å |
| 293 | G | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V289 Y290 S291 L295 S297 P298 | V289-G293 PolarHBondContact O-N 3.45Å; Y290-G293 PolarHBondContact O-N 3.24Å; S291-G293 VanDerWaalsContact C-N 3.35Å; G293-L295 VanDerWaalsContact C-N 3.31Å; G293-L295 PolarHBondContact O-N 2.9Å; G293-S297 CarbonylContact O-C 3.53Å; G293-S297 WeakPolarHBondContact O-CA 3.44Å; G293-S297 PolarHBondContact O-N 3.36Å; G293-P298 WeakPolarHBondContact O-CA 3.19Å |
| 294 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -32.1 | 178.2 | -75.2 | 171.2 | 0 | 0 | 0 | 112.9 | Y290 S291 L301 V361 V385 W390 V393 Y443 | Y290-L294 WeakPolarHBondContact O-CB 3.46Å; Y290-L294 VanDerWaalsContact O-CG 3.31Å; Y290-L294 WeakPolarHBondContact O-CG 3.48Å; Y290-L294 PolarHBondContact O-N 2.94Å; S291-L294 PolarHBondContact O-N 3Å; L294-L301 HydrophobicContact CD2-CD2 4.22Å; L294-L301 HydrophobicContact CG-CD2 3.87Å; L294-V361 HydrophobicContact CD2-CG2 4.06Å; L294-V385 HydrophobicContact CD2-CG1 4.29Å; L294-W390 HydrophobicContact CB-CH2 3.9Å; L294-W390 HydrophobicContact CB-CZ2 3.59Å; L294-W390 HydrophobicContact CD1-CD2 3.76Å; L294-W390 HydrophobicContact CD1-CE3 3.88Å; L294-W390 HydrophobicContact CD1-CG 4.25Å; L294-W390 HydrophobicContact CD1-CH2 4.37Å; L294-W390 HydrophobicContact CD1-CZ2 4.24Å; L294-W390 HydrophobicContact CD1-CZ3 4.2Å; L294-V393 HydrophobicContact CD1-CG2 4.16Å; L294-Y443 PolarHBondContact O-OH 3.31Å |
| 295 | L | 95 | Very high | 94.8 | Very high | 56 Ų | 56 | 30.7 Ų | 30.7 | 29% | 0.293 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -78.4 | -37.2 | 179.3 | -70.4 | 167 | 0 | 0 | 0 | 113.2 | S291 S292 G293 W390 Y442 Y443 | S291-L295 VanDerWaalsContact O-CG 3.26Å; S291-L295 WeakPolarHBondContact O-CG 3.46Å; S291-L295 PolarHBondContact O-N 3.47Å; S292-L295 PolarHBondContact O-N 3.49Å; G293-L295 VanDerWaalsContact C-N 3.31Å; G293-L295 PolarHBondContact O-N 2.9Å; L295-W390 HydrophobicContact CD1-CH2 4.33Å; L295-W390 HydrophobicContact CD2-CH2 4.07Å; L295-W390 HydrophobicContact CD2-CZ2 3.94Å; L295-W390 HydrophobicContact CG-CH2 3.83Å; L295-W390 HydrophobicContact CG-CZ2 4.05Å; L295-Y442 HydrophobicContact CD2-CD1 3.84Å; L295-Y442 HydrophobicContact CD2-CE1 3.68Å; L295-Y442 HydrophobicContact CD2-CG 4.38Å; L295-Y443 HydrophobicContact CD2-CE2 4.31Å |
| 296 | Y | 93.5 | Very high | 94.7 | Very high | 148 Ų | 148 | 32 Ų | 32 | 58% | 0.58 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -112.6 | -36 | -168.2 | -59.5 | -61.5 | 0 | 0 | 0 | 114.5 | L191 S292 | L191-Y296 HydrophobicContact CD1-CD2 4.18Å; S292-Y296 WeakPolarHBondContact O-CB 3.41Å; S292-Y296 WeakPolarHBondContact O-CD2 3.46Å; S292-Y296 PolarHBondContact O-N 3.16Å |
| 297 | S | 93 | Very high | 94.5 | Very high | 14 Ų | 14 | 33 Ų | 33 | 10% | 0.098 | 18% | 0.179 | C | C | . | . | trans | -158.9 | 78.9 | -177.5 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | N188 G293 H299 L300 L301 | N188-S297 WeakPolarHBondContact OD1-CB 3.49Å; N188-S297 PolarHBondContact OD1-OG 2.93Å; G293-S297 CarbonylContact O-C 3.53Å; G293-S297 WeakPolarHBondContact O-CA 3.44Å; G293-S297 PolarHBondContact O-N 3.36Å; S297-H299 PolarHBondContact O-N 3.45Å; S297-L300 PolarHBondContact O-N 3.34Å; S297-L300 VanDerWaalsContact OG-CB 3.22Å; S297-L300 WeakPolarHBondContact OG-CB 3.47Å; S297-L301 PolarHBondContact O-N 2.87Å | ||
| 298 | P | 92.8 | Very high | 94.5 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -28.9 | -178.4 | -20.8 | 30.7 | 0 | 0 | 0 | 112.5 | G293 L301 S302 L383 V385 | G293-P298 WeakPolarHBondContact O-CA 3.19Å; P298-L301 PolarHBondContact O-N 3.33Å; P298-S302 WeakPolarHBondContact O-CB 3.44Å; P298-S302 PolarHBondContact O-N 2.91Å; P298-L383 HydrophobicContact CB-CB 4.1Å; P298-L383 HydrophobicContact CB-CD2 3.85Å; P298-V385 HydrophobicContact CB-CG2 3.99Å; P298-V385 HydrophobicContact CG-CG2 3.34Å |
| 299 | H | 88.7 | Confident | 94.4 | Very high | 45 Ų | 45 | 34.1 Ų | 34.1 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.7 | -44.5 | 176.3 | -167.6 | 50.5 | 0 | 0 | 0 | 111.9 | F183 S297 S302 L303 Y381 | F183-H299 AromaticContact CE1-CD2 3.6Å; F183-H299 AromaticContact CE2-NE2 3.91Å; F183-H299 AromaticContact CZ-CD2 3.23Å; F183-H299 WeakPolarHBondContact CZ-CD2 3.27Å; F183-H299 AromaticContact CZ-NE2 3.33Å; F183-H299 VanDerWaalsContact CZ-NE2 3.33Å; F183-H299 WeakPolarHBondContact CZ-NE2 3.5Å; S297-H299 PolarHBondContact O-N 3.45Å; H299-S302 PolarHBondContact O-N 3.12Å; H299-L303 PolarHBondContact O-N 2.9Å; H299-Y381 AromaticContact CE1-CD1 3.9Å; H299-Y381 AromaticContact ND1-CD1 3.71Å |
| 300 | L | 92.3 | Very high | 94 | Very high | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 173.7 | -178.5 | 65 | 0 | 0 | 0 | 111.5 | F183 N188 L191 L192 W195 S297 S302 L303 M304 | F183-L300 HydrophobicContact CD1-CB 4.46Å; F183-L300 HydrophobicContact CD1-CD1 3.91Å; F183-L300 HydrophobicContact CE1-CB 4.27Å; F183-L300 HydrophobicContact CE1-CD1 4.14Å; N188-L300 HydrophobicContact CB-CD2 3.86Å; L191-L300 HydrophobicContact CD2-CD2 4.28Å; L192-L300 HydrophobicContact CD1-CD1 4.48Å; L192-L300 HydrophobicContact CD1-CD2 4.22Å; L192-L300 HydrophobicContact CG-CD2 4.24Å; W195-L300 HydrophobicContact CH2-CD2 4.28Å; W195-L300 HydrophobicContact CH2-CG 4.22Å; W195-L300 HydrophobicContact CZ3-CD2 4.07Å; W195-L300 HydrophobicContact CZ3-CG 4.02Å; S297-L300 PolarHBondContact O-N 3.34Å; S297-L300 VanDerWaalsContact OG-CB 3.22Å; S297-L300 WeakPolarHBondContact OG-CB 3.47Å; L300-S302 VanDerWaalsContact C-N 3.34Å; L300-S302 PolarHBondContact O-N 3.08Å; L300-L303 PolarHBondContact O-N 3.38Å; L300-M304 HydrophobicContact CD1-CE 3.68Å; L300-M304 HydrophobicContact CD1-CG 3.94Å; L300-M304 HydrophobicContact CG-CG 4.23Å; L300-M304 WeakPolarHBondContact O-CB 3.42Å; L300-M304 VanDerWaalsContact O-CG 3.3Å; L300-M304 WeakPolarHBondContact O-CG 3.49Å; L300-M304 PolarHBondContact O-N 3.38Å |
| 301 | L | 95.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -46.2 | 175 | 177.9 | 66 | 0 | 0 | 0 | 111.6 | W195 V289 Y290 L294 S297 P298 M304 S305 V361 | W195-L301 HydrophobicContact CH2-CB 4.28Å; W195-L301 HydrophobicContact CH2-CD1 4.32Å; W195-L301 HydrophobicContact CZ2-CD1 4.38Å; V289-L301 HydrophobicContact CG1-CD1 4.44Å; Y290-L301 HydrophobicContact CD1-CD1 4.01Å; Y290-L301 HydrophobicContact CD1-CD2 3.77Å; Y290-L301 HydrophobicContact CD1-CG 4.21Å; Y290-L301 HydrophobicContact CD2-CD1 4.22Å; Y290-L301 HydrophobicContact CE1-CD1 4.12Å; Y290-L301 HydrophobicContact CE1-CD2 4.28Å; Y290-L301 HydrophobicContact CE1-CG 4.3Å; Y290-L301 HydrophobicContact CE2-CD1 4.35Å; Y290-L301 HydrophobicContact CG-CD1 4.06Å; Y290-L301 HydrophobicContact CG-CD2 4.28Å; L294-L301 HydrophobicContact CD2-CD2 4.22Å; L294-L301 HydrophobicContact CG-CD2 3.87Å; S297-L301 PolarHBondContact O-N 2.87Å; P298-L301 PolarHBondContact O-N 3.33Å; L301-M304 PolarHBondContact O-N 3.45Å; L301-S305 VanDerWaalsContact O-CB 3.29Å; L301-S305 WeakPolarHBondContact O-CB 3.25Å; L301-S305 PolarHBondContact O-N 2.99Å; L301-S305 PolarHBondContact O-OG 3.4Å; L301-V361 HydrophobicContact CD2-CG2 4.41Å |
| 302 | S | 92.6 | Very high | 93.6 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -46.8 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 111.7 | P298 H299 L300 S305 V306 W362 | P298-S302 WeakPolarHBondContact O-CB 3.44Å; P298-S302 PolarHBondContact O-N 2.91Å; H299-S302 PolarHBondContact O-N 3.12Å; L300-S302 VanDerWaalsContact C-N 3.34Å; L300-S302 PolarHBondContact O-N 3.08Å; S302-S305 WeakPolarHBondContact CA-OG 3.5Å; S302-S305 PolarHBondContact O-OG 3.25Å; S302-V306 WeakPolarHBondContact O-CG2 3.4Å; S302-V306 PolarHBondContact O-N 3.2Å; S302-W362 PolarHBondContact O-NE1 2.92Å; S302-W362 VanDerWaalsContact OG-CD1 3.22Å; S302-W362 PolarHBondContact OG-NE1 3.22Å |
| 303 | L | 90.2 | Very high | 93.3 | Very high | 78 Ų | 78 | 43.2 Ų | 43.2 | 41% | 0.408 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63 | -49.1 | 177.7 | 179.4 | 64.5 | 0 | 0 | 0 | 112.3 | F183 H299 L300 S305 V306 A307 | F183-L303 HydrophobicContact CE1-CD2 3.93Å; F183-L303 HydrophobicContact CE2-CD2 3.94Å; F183-L303 HydrophobicContact CZ-CB 4.39Å; F183-L303 HydrophobicContact CZ-CD2 3.6Å; H299-L303 PolarHBondContact O-N 2.9Å; L300-L303 PolarHBondContact O-N 3.38Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.07Å; L303-V306 PolarHBondContact O-N 3.37Å; L303-A307 PolarHBondContact O-N 2.9Å |
| 304 | M | 94.7 | Very high | 93 | Very high | 69 Ų | 69 | 45.8 Ų | 45.8 | 34% | 0.34 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68 | -32.7 | -176.8 | -68.6 | -60.6 | 147.2 | 0 | 0 | 112.3 | W195 L300 L301 A307 L308 | W195-M304 HydrophobicContact CZ3-CB 4.28Å; W195-M304 HydrophobicContact CZ3-CG 4.07Å; L300-M304 HydrophobicContact CD1-CE 3.68Å; L300-M304 HydrophobicContact CD1-CG 3.94Å; L300-M304 HydrophobicContact CG-CG 4.23Å; L300-M304 WeakPolarHBondContact O-CB 3.42Å; L300-M304 VanDerWaalsContact O-CG 3.3Å; L300-M304 WeakPolarHBondContact O-CG 3.49Å; L300-M304 PolarHBondContact O-N 3.38Å; L301-M304 PolarHBondContact O-N 3.45Å; M304-A307 PolarHBondContact O-N 3.42Å; M304-L308 WeakPolarHBondContact O-CB 3.37Å; M304-L308 PolarHBondContact O-N 3.02Å |
| 305 | S | 95.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 48.3 Ų | 48.3 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 174.1 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | Y290 L301 S302 L303 L308 L309 W362 | Y290-S305 WeakPolarHBondContact OH-CB 3.48Å; L301-S305 VanDerWaalsContact O-CB 3.29Å; L301-S305 WeakPolarHBondContact O-CB 3.25Å; L301-S305 PolarHBondContact O-N 2.99Å; L301-S305 PolarHBondContact O-OG 3.4Å; S302-S305 WeakPolarHBondContact CA-OG 3.5Å; S302-S305 PolarHBondContact O-OG 3.25Å; L303-S305 VanDerWaalsContact C-N 3.32Å; L303-S305 PolarHBondContact O-N 3.07Å; S305-L308 PolarHBondContact O-N 3.24Å; S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.11Å; S305-W362 VanDerWaalsContact OG-CZ2 3.32Å; S305-W362 WeakPolarHBondContact OG-CZ2 3.37Å; S305-W362 PolarHBondContact OG-NE1 2.81Å; S305-W362 VanDerWaalsContact OG-NE1 3.17Å |
| 306 | V | 92 | Very high | 92.8 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 171.8 | 173 | 0 | 0 | 0 | 0 | 110.7 | S302 L303 L308 L309 I310 W362 | S302-V306 WeakPolarHBondContact O-CG2 3.4Å; S302-V306 PolarHBondContact O-N 3.2Å; L303-V306 PolarHBondContact O-N 3.37Å; V306-L308 VanDerWaalsContact C-N 3.32Å; V306-L308 PolarHBondContact O-N 3.01Å; V306-L309 WeakPolarHBondContact O-CB 3.4Å; V306-L309 PolarHBondContact O-N 3.41Å; V306-I310 HydrophobicContact CG1-CD1 4.33Å; V306-I310 WeakPolarHBondContact O-CG1 3.38Å; V306-I310 PolarHBondContact O-N 2.76Å; V306-I310 VanDerWaalsContact O-N 3.1Å; V306-W362 HydrophobicContact CB-CZ2 4.41Å; V306-W362 HydrophobicContact CG2-CH2 4.27Å; V306-W362 HydrophobicContact CG2-CZ2 3.55Å |
| 307 | A | 92.4 | Very high | 92.7 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 38% | 0.38 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L303 M304 L309 I310 V311 | L303-A307 PolarHBondContact O-N 2.9Å; M304-A307 PolarHBondContact O-N 3.42Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 2.96Å; A307-I310 WeakPolarHBondContact O-CB 3.03Å; A307-I310 PolarHBondContact O-N 3.13Å; A307-V311 WeakPolarHBondContact O-CG2 3.43Å; A307-V311 PolarHBondContact O-N 3.34Å |
| 308 | L | 95.5 | Very high | 92.7 | Very high | 72 Ų | 72 | 41 Ų | 41 | 38% | 0.377 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -37 | 176.7 | -174.8 | 57.5 | 0 | 0 | 0 | 112.4 | M304 S305 V306 I310 V311 F312 L354 | M304-L308 WeakPolarHBondContact O-CB 3.37Å; M304-L308 PolarHBondContact O-N 3.02Å; S305-L308 PolarHBondContact O-N 3.24Å; V306-L308 VanDerWaalsContact C-N 3.32Å; V306-L308 PolarHBondContact O-N 3.01Å; L308-I310 VanDerWaalsContact C-N 3.33Å; L308-I310 PolarHBondContact O-N 3.3Å; L308-V311 WeakPolarHBondContact O-CB 3.16Å; L308-V311 PolarHBondContact O-N 3.23Å; L308-F312 HydrophobicContact CD1-CD1 4.1Å; L308-F312 HydrophobicContact CD1-CE1 3.67Å; L308-F312 HydrophobicContact CD1-CZ 4.13Å; L308-F312 HydrophobicContact CD2-CZ 4.38Å; L308-F312 HydrophobicContact CG-CD1 4.49Å; L308-F312 HydrophobicContact CG-CE1 4.13Å; L308-F312 HydrophobicContact CG-CZ 4.15Å; L308-F312 PolarHBondContact O-N 2.78Å; L308-L354 HydrophobicContact CB-CD2 4.33Å; L308-L354 HydrophobicContact CD2-CD1 3.88Å; L308-L354 HydrophobicContact CG-CD1 4.33Å; L308-L354 HydrophobicContact CG-CD2 4.11Å |
| 309 | L | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 4% | 0.037 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 174.7 | -178 | 63.2 | 0 | 0 | 0 | 111.4 | S305 V306 A307 V311 F312 W313 I351 L354 L355 W362 | S305-L309 WeakPolarHBondContact O-CB 3.44Å; S305-L309 PolarHBondContact O-N 3.11Å; V306-L309 WeakPolarHBondContact O-CB 3.4Å; V306-L309 PolarHBondContact O-N 3.41Å; A307-L309 VanDerWaalsContact C-N 3.34Å; A307-L309 PolarHBondContact O-N 2.96Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.15Å; L309-F312 PolarHBondContact O-N 2.94Å; L309-W313 HydrophobicContact CD1-CH2 4.37Å; L309-W313 HydrophobicContact CD1-CZ2 3.77Å; L309-W313 HydrophobicContact CD2-CH2 3.41Å; L309-W313 VanDerWaalsContact CD2-CH2 3.41Å; L309-W313 HydrophobicContact CD2-CZ2 3.52Å; L309-W313 HydrophobicContact CD2-CZ3 4.24Å; L309-W313 HydrophobicContact CG-CD2 4.25Å; L309-W313 HydrophobicContact CG-CE3 4.38Å; L309-W313 HydrophobicContact CG-CH2 3.57Å; L309-W313 HydrophobicContact CG-CZ2 3.48Å; L309-W313 VanDerWaalsContact CG-CZ2 3.48Å; L309-W313 HydrophobicContact CG-CZ3 4.08Å; L309-W313 PolarHBondContact O-N 3.17Å; L309-I351 HydrophobicContact CD1-CG2 4.19Å; L309-L354 HydrophobicContact CB-CD2 3.75Å; L309-L354 HydrophobicContact CD1-CD2 4.01Å; L309-L354 HydrophobicContact CG-CD2 4.5Å; L309-L355 HydrophobicContact CD1-CD2 4.23Å; L309-L355 HydrophobicContact CD2-CD2 4.19Å; L309-W362 HydrophobicContact CD2-CH2 3.92Å; L309-W362 HydrophobicContact CD2-CZ3 4.18Å |
| 310 | I | 90.7 | Very high | 92.9 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63 | -40.6 | 174.5 | -65 | 166.2 | 0 | 0 | 0 | 110.9 | V306 A307 L308 W313 C314 | V306-I310 HydrophobicContact CG1-CD1 4.33Å; V306-I310 WeakPolarHBondContact O-CG1 3.38Å; V306-I310 PolarHBondContact O-N 2.76Å; V306-I310 VanDerWaalsContact O-N 3.1Å; A307-I310 WeakPolarHBondContact O-CB 3.03Å; A307-I310 PolarHBondContact O-N 3.13Å; L308-I310 VanDerWaalsContact C-N 3.33Å; L308-I310 PolarHBondContact O-N 3.3Å; I310-W313 HydrophobicContact CG1-CE3 4.3Å; I310-W313 HydrophobicContact CG1-CZ3 4.23Å; I310-W313 PolarHBondContact O-N 3.38Å; I310-C314 PolarHBondContact O-N 3.45Å; I310-C314 PolarHBondContact O-SG 3.24Å |
| 311 | V | 92.8 | Very high | 92.9 | Very high | 86 Ų | 86 | 44.6 Ų | 44.6 | 52% | 0.521 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 111 | A307 L308 L309 W313 C314 F315 | A307-V311 WeakPolarHBondContact O-CG2 3.43Å; A307-V311 PolarHBondContact O-N 3.34Å; L308-V311 WeakPolarHBondContact O-CB 3.16Å; L308-V311 PolarHBondContact O-N 3.23Å; L309-V311 VanDerWaalsContact C-N 3.33Å; L309-V311 PolarHBondContact O-N 3.15Å; V311-W313 VanDerWaalsContact C-N 3.32Å; V311-W313 PolarHBondContact O-N 3.18Å; V311-C314 PolarHBondContact O-N 2.8Å; V311-F315 WeakPolarHBondContact O-CB 3.24Å; V311-F315 PolarHBondContact O-N 3.32Å |
| 312 | F | 94.1 | Very high | 92.7 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 177 | -75.9 | 1 | 0 | 0 | 0 | 112.5 | L308 L309 F315 E316 P350 I351 L354 | L308-F312 HydrophobicContact CD1-CD1 4.1Å; L308-F312 HydrophobicContact CD1-CE1 3.67Å; L308-F312 HydrophobicContact CD1-CZ 4.13Å; L308-F312 HydrophobicContact CD2-CZ 4.38Å; L308-F312 HydrophobicContact CG-CD1 4.49Å; L308-F312 HydrophobicContact CG-CE1 4.13Å; L308-F312 HydrophobicContact CG-CZ 4.15Å; L308-F312 PolarHBondContact O-N 2.78Å; L309-F312 PolarHBondContact O-N 2.94Å; F312-F315 WeakPolarHBondContact O-CB 3.23Å; F312-F315 PolarHBondContact O-N 2.74Å; F312-E316 PolarHBondContact O-N 2.93Å; F312-P350 HydrophobicContact CE2-CB 4.38Å; F312-I351 HydrophobicContact CB-CG1 4.17Å; F312-I351 HydrophobicContact CD2-CG1 4.15Å; F312-L354 HydrophobicContact CD2-CB 4.34Å; F312-L354 HydrophobicContact CD2-CD2 3.72Å; F312-L354 HydrophobicContact CE2-CB 4.01Å; F312-L354 HydrophobicContact CE2-CD2 3.9Å |
| 313 | W | 90.6 | Very high | 92.7 | Very high | 59 Ų | 59 | 47.5 Ų | 47.5 | 22% | 0.223 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 173.5 | -68 | -27.5 | 0 | 0 | 0 | 113.3 | F126 L133 L309 I310 V311 F315 E316 W317 | F126-W313 AromaticContact CE2-CH2 3.41Å; F126-W313 HydrophobicContact CE2-CH2 3.41Å; F126-W313 VanDerWaalsContact CE2-CH2 3.41Å; F126-W313 AromaticContact CE2-CZ3 3.69Å; F126-W313 HydrophobicContact CE2-CZ3 3.69Å; F126-W313 AromaticContact CZ-CH2 3.34Å; F126-W313 HydrophobicContact CZ-CH2 3.34Å; F126-W313 HydrophobicContact CZ-CZ2 4.24Å; F126-W313 AromaticContact CZ-CZ3 3.99Å; F126-W313 HydrophobicContact CZ-CZ3 3.99Å; L133-W313 HydrophobicContact CD1-CD2 3.65Å; L133-W313 HydrophobicContact CD1-CE3 3.17Å; L133-W313 HydrophobicContact CD1-CG 4.27Å; L133-W313 HydrophobicContact CD1-CH2 4.36Å; L133-W313 HydrophobicContact CD1-CZ3 3.59Å; L133-W313 HydrophobicContact CD2-CB 4.15Å; L133-W313 HydrophobicContact CG-CE3 4.5Å; L309-W313 HydrophobicContact CD1-CH2 4.37Å; L309-W313 HydrophobicContact CD1-CZ2 3.77Å; L309-W313 HydrophobicContact CD2-CH2 3.41Å; L309-W313 VanDerWaalsContact CD2-CH2 3.41Å; L309-W313 HydrophobicContact CD2-CZ2 3.52Å; L309-W313 HydrophobicContact CD2-CZ3 4.24Å; L309-W313 HydrophobicContact CG-CD2 4.25Å; L309-W313 HydrophobicContact CG-CE3 4.38Å; L309-W313 HydrophobicContact CG-CH2 3.57Å; L309-W313 HydrophobicContact CG-CZ2 3.48Å; L309-W313 VanDerWaalsContact CG-CZ2 3.48Å; L309-W313 HydrophobicContact CG-CZ3 4.08Å; L309-W313 PolarHBondContact O-N 3.17Å; I310-W313 HydrophobicContact CG1-CE3 4.3Å; I310-W313 HydrophobicContact CG1-CZ3 4.23Å; I310-W313 PolarHBondContact O-N 3.38Å; V311-W313 VanDerWaalsContact C-N 3.32Å; V311-W313 PolarHBondContact O-N 3.18Å; W313-F315 VanDerWaalsContact C-N 3.26Å; W313-F315 PolarHBondContact O-N 3.2Å; W313-E316 PolarHBondContact O-N 2.89Å; W313-W317 WeakPolarHBondContact O-CB 3.44Å; W313-W317 PolarHBondContact O-N 3.32Å |
| 314 | C | 91.2 | Very high | 92.8 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 37% | 0.365 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.8 | -67.3 | 0 | 0 | 0 | 0 | 110.6 | I310 V311 W317 I318 | I310-C314 PolarHBondContact O-N 3.45Å; I310-C314 PolarHBondContact O-SG 3.24Å; V311-C314 PolarHBondContact O-N 2.8Å; C314-W317 PolarHBondContact O-N 2.95Å; C314-I318 WeakPolarHBondContact O-CD1 3.36Å; C314-I318 WeakPolarHBondContact O-CG1 3.13Å; C314-I318 PolarHBondContact O-N 2.96Å |
| 315 | F | 93.6 | Very high | 92.7 | Very high | 55 Ų | 55 | 50.5 Ų | 50.5 | 24% | 0.241 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.9 | -52.8 | 175.6 | -176.2 | -82.4 | 0 | 0 | 0 | 111.4 | V311 F312 W313 W317 I318 R319 L330 V334 | V311-F315 WeakPolarHBondContact O-CB 3.24Å; V311-F315 PolarHBondContact O-N 3.32Å; F312-F315 WeakPolarHBondContact O-CB 3.23Å; F312-F315 PolarHBondContact O-N 2.74Å; W313-F315 VanDerWaalsContact C-N 3.26Å; W313-F315 PolarHBondContact O-N 3.2Å; F315-W317 VanDerWaalsContact C-N 3.31Å; F315-W317 PolarHBondContact O-N 2.96Å; F315-I318 PolarHBondContact O-N 3.18Å; F315-R319 HydrophobicContact CE1-CB 4.34Å; F315-R319 WeakPolarHBondContact O-CB 3.33Å; F315-R319 PolarHBondContact O-N 2.99Å; F315-L330 HydrophobicContact CD2-CD1 4.37Å; F315-L330 HydrophobicContact CD2-CD2 4.41Å; F315-L330 HydrophobicContact CE2-CB 4.32Å; F315-L330 HydrophobicContact CE2-CD1 4.16Å; F315-L330 HydrophobicContact CE2-CD2 3.66Å; F315-L330 HydrophobicContact CE2-CG 4.25Å; F315-L330 HydrophobicContact CZ-CB 3.9Å; F315-L330 HydrophobicContact CZ-CD1 4.35Å; F315-L330 HydrophobicContact CZ-CD2 4.09Å; F315-L330 HydrophobicContact CZ-CG 4.33Å; F315-V334 HydrophobicContact CE1-CG1 3.55Å; F315-V334 HydrophobicContact CE1-CG2 4.29Å; F315-V334 HydrophobicContact CE2-CG1 4.32Å; F315-V334 HydrophobicContact CZ-CB 4.5Å; F315-V334 HydrophobicContact CZ-CG1 3.32Å; F315-V334 HydrophobicContact CZ-CG2 4.48Å |
| 316 | E | 92.6 | Very high | 92.5 | Very high | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.8 | -35.8 | 179 | -82.4 | -62.1 | 99.8 | 0 | 0 | 112.7 | F312 W313 R319 R320 L347 I351 | F312-E316 PolarHBondContact O-N 2.93Å; W313-E316 PolarHBondContact O-N 2.89Å; E316-R319 PolarHBondContact O-N 3.23Å; E316-R319 IonicContact OE1-CZ 3.51Å; E316-R319 IonicContact OE1-NE 3.84Å; E316-R319 PolarHBondContact OE1-NE 3.38Å; E316-R319 IonicContact OE1-NH2 3.56Å; E316-R319 PolarHBondContact OE1-NH2 2.99Å; E316-R319 IonicContact OE2-CZ 2.85Å; E316-R319 IonicContact OE2-NE 2.84Å; E316-R319 IonicContact OE2-NH2 2.66Å; E316-R319 PolarHBondContact OE2-NH2 3.33Å; E316-R320 WeakPolarHBondContact O-CB 3.43Å; E316-R320 WeakPolarHBondContact O-CG 3.31Å; E316-R320 PolarHBondContact O-N 2.93Å; E316-L347 PolarHBondContact OE2-N 3.08Å; E316-I351 HydrophobicContact CG-CD1 4.2Å |
| 317 | W | 92.5 | Very high | 92.5 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 8% | 0.076 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -46.7 | 174.8 | -179.9 | 27.3 | 0 | 0 | 0 | 111.4 | I136 I141 F143 I147 V151 W313 C314 F315 R321 | I136-W317 HydrophobicContact CD1-CD2 4.36Å; I136-W317 HydrophobicContact CD1-CE3 4.21Å; I136-W317 HydrophobicContact CD1-CH2 3.87Å; I136-W317 HydrophobicContact CD1-CZ2 4.03Å; I136-W317 HydrophobicContact CD1-CZ3 3.96Å; I136-W317 HydrophobicContact CG1-CZ2 4.28Å; I136-W317 HydrophobicContact CG2-CD2 3.99Å; I136-W317 HydrophobicContact CG2-CG 4.05Å; I136-W317 HydrophobicContact CG2-CZ2 4.12Å; I141-W317 HydrophobicContact CG2-CZ2 4.4Å; I141-W317 PolarHBondContact O-NE1 2.89Å; F143-W317 HydrophobicContact CB-CD2 4.42Å; F143-W317 HydrophobicContact CB-CZ2 4.42Å; F143-W317 HydrophobicContact CD2-CD2 4.02Å; F143-W317 AromaticContact CD2-CE3 3.92Å; F143-W317 HydrophobicContact CD2-CE3 3.92Å; F143-W317 HydrophobicContact CD2-CH2 4.2Å; F143-W317 HydrophobicContact CD2-CZ2 4.28Å; F143-W317 HydrophobicContact CD2-CZ3 4.01Å; F143-W317 HydrophobicContact CE2-CZ3 4.47Å; I147-W317 HydrophobicContact CG2-CH2 3.97Å; I147-W317 HydrophobicContact CG2-CZ2 4.14Å; V151-W317 HydrophobicContact CG2-CH2 4.4Å; W313-W317 WeakPolarHBondContact O-CB 3.44Å; W313-W317 PolarHBondContact O-N 3.32Å; C314-W317 PolarHBondContact O-N 2.95Å; F315-W317 VanDerWaalsContact C-N 3.31Å; F315-W317 PolarHBondContact O-N 2.96Å; W317-R321 WeakPolarHBondContact O-CA 3.2Å; W317-R321 WeakPolarHBondContact O-CB 3.33Å; W317-R321 PolarHBondContact O-N 3.09Å |
| 318 | I | 93.3 | Very high | 92.4 | Very high | 32 Ų | 32 | 54 Ų | 54 | 16% | 0.164 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.7 | -44 | 177.6 | -62.1 | 163.4 | 0 | 0 | 0 | 110.6 | F143 C314 F315 R320 G322 L326 L330 | F143-I318 HydrophobicContact CD1-CG1 3.92Å; F143-I318 HydrophobicContact CD1-CG2 4.31Å; F143-I318 HydrophobicContact CD2-CD1 4.38Å; F143-I318 HydrophobicContact CD2-CG1 3.53Å; F143-I318 HydrophobicContact CE1-CD1 4.31Å; F143-I318 HydrophobicContact CE1-CG1 3.91Å; F143-I318 HydrophobicContact CE1-CG2 4.46Å; F143-I318 HydrophobicContact CE2-CD1 3.86Å; F143-I318 HydrophobicContact CE2-CG1 3.51Å; F143-I318 HydrophobicContact CG-CB 4.49Å; F143-I318 HydrophobicContact CG-CG1 3.73Å; F143-I318 HydrophobicContact CZ-CD1 3.82Å; F143-I318 HydrophobicContact CZ-CG1 3.71Å; C314-I318 WeakPolarHBondContact O-CD1 3.36Å; C314-I318 WeakPolarHBondContact O-CG1 3.13Å; C314-I318 PolarHBondContact O-N 2.96Å; F315-I318 PolarHBondContact O-N 3.18Å; I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 3.32Å; I318-G322 WeakPolarHBondContact O-CA 3.35Å; I318-G322 PolarHBondContact O-N 2.99Å; I318-L326 HydrophobicContact CG2-CD2 3.39Å; I318-L326 HydrophobicContact CG2-CG 3.68Å; I318-L330 HydrophobicContact CB-CD1 3.82Å; I318-L330 HydrophobicContact CG2-CD1 3.47Å; I318-L330 VanDerWaalsContact CG2-CD1 3.47Å |
| 319 | R | 93.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 56 Ų | 56 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | -180 | -172 | -173.4 | 65.8 | 80.4 | 0.5 | 111.2 | F315 E316 S327 L330 S331 D345 | F315-R319 HydrophobicContact CE1-CB 4.34Å; F315-R319 WeakPolarHBondContact O-CB 3.33Å; F315-R319 PolarHBondContact O-N 2.99Å; E316-R319 PolarHBondContact O-N 3.23Å; E316-R319 IonicContact OE1-CZ 3.51Å; E316-R319 IonicContact OE1-NE 3.84Å; E316-R319 PolarHBondContact OE1-NE 3.38Å; E316-R319 IonicContact OE1-NH2 3.56Å; E316-R319 PolarHBondContact OE1-NH2 2.99Å; E316-R319 IonicContact OE2-CZ 2.85Å; E316-R319 IonicContact OE2-NE 2.84Å; E316-R319 IonicContact OE2-NH2 2.66Å; E316-R319 PolarHBondContact OE2-NH2 3.33Å; R319-S327 VanDerWaalsContact O-CB 3.26Å; R319-S327 WeakPolarHBondContact O-CB 3.4Å; R319-S327 PolarHBondContact O-OG 2.8Å; R319-L330 HydrophobicContact CB-CB 4.17Å; R319-L330 HydrophobicContact CB-CD1 4.33Å; R319-L330 HydrophobicContact CG-CB 4.11Å; R319-S331 WeakPolarHBondContact CG-OG 3.45Å; R319-D345 PolarHBondContact NH2-O 3.05Å |
| 320 | R | 92 | Very high | 92.1 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 20% | 0.2 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -87.4 | -33.1 | -176 | -67 | 173.2 | 62.6 | -118.2 | -0.2 | 113.7 | F100 E137 E316 I318 D345 | F100-R320 VanDerWaalsContact CE1-CZ 3.49Å; E137-R320 IonicContact OE1-CZ 3.33Å; E137-R320 IonicContact OE1-NH1 3.77Å; E137-R320 PolarHBondContact OE1-NH1 3.24Å; E137-R320 VanDerWaalsContact OE1-NH1 3.15Å; E137-R320 IonicContact OE1-NH2 3.85Å; E137-R320 PolarHBondContact OE1-NH2 2.95Å; E137-R320 IonicContact OE2-CZ 3.75Å; E137-R320 IonicContact OE2-NH1 3.08Å; E137-R320 PolarHBondContact OE2-NH1 3.39Å; E137-R320 IonicContact OE2-NH2 3.97Å; E316-R320 WeakPolarHBondContact O-CB 3.43Å; E316-R320 WeakPolarHBondContact O-CG 3.31Å; E316-R320 PolarHBondContact O-N 2.93Å; I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 3.32Å; R320-D345 VanDerWaalsContact CD-O 3.28Å; R320-D345 WeakPolarHBondContact CD-O 3.35Å; R320-D345 PolarHBondContact NE-O 3.4Å |
| 321 | R | 91.4 | Very high | 92 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -125.1 | 4.7 | -168.7 | -48.5 | -60 | -171.1 | 129 | 6.8 | 114.4 | E137 S140 F143 W317 | E137-R321 IonicContact OE1-CZ 3.32Å; E137-R321 IonicContact OE1-NH2 3.25Å; E137-R321 PolarHBondContact OE1-NH2 3.49Å; S140-R321 PolarHBondContact OG-NH1 2.84Å; S140-R321 PolarHBondContact OG-NH2 3.39Å; S140-R321 VanDerWaalsContact OG-NH2 3.09Å; F143-R321 PolarHBondContact N-O 3.15Å; W317-R321 WeakPolarHBondContact O-CA 3.2Å; W317-R321 WeakPolarHBondContact O-CB 3.33Å; W317-R321 PolarHBondContact O-N 3.09Å |
| 322 | G | 91.7 | Very high | 91.7 | Very high | 17 Ų | 17 | 54.1 Ų | 54.1 | 18% | 0.175 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -77.7 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I318 | I318-G322 WeakPolarHBondContact O-CA 3.35Å; I318-G322 PolarHBondContact O-N 2.99Å |
| 323 | P | 93 | Very high | 91.4 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | trans | -53.4 | 143.9 | 170.1 | -22.7 | 32.9 | 0 | 0 | 0 | 110.9 | T325 L326 S327 | P323-T325 VanDerWaalsContact C-N 3.26Å; P323-T325 PolarHBondContact O-N 3.17Å; P323-T325 VanDerWaalsContact O-N 3.15Å; P323-L326 PolarHBondContact O-N 3.17Å; P323-S327 WeakPolarHBondContact O-CB 3.49Å; P323-S327 PolarHBondContact O-N 3.47Å | ||
| 324 | S | 91.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 52 Ų | 52 | 70% | 0.699 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.8 | -40.9 | -173.5 | 52.3 | 0 | 0 | 0 | 0 | 113.7 | S328 | S324-S328 VanDerWaalsContact O-CB 3.23Å; S324-S328 WeakPolarHBondContact O-CB 3.24Å; S324-S328 PolarHBondContact O-N 3.15Å |
| 325 | T | 92.5 | Very high | 90.8 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 68% | 0.681 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.9 | -47 | 178 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | P323 Y329 | P323-T325 VanDerWaalsContact C-N 3.26Å; P323-T325 PolarHBondContact O-N 3.17Å; P323-T325 VanDerWaalsContact O-N 3.15Å; T325-Y329 VanDerWaalsContact O-CB 3.32Å; T325-Y329 WeakPolarHBondContact O-CB 3.48Å; T325-Y329 PolarHBondContact O-N 3.04Å |
| 326 | L | 91.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 33% | 0.33 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72.3 | -42.2 | -179.6 | -175.4 | 58.5 | 0 | 0 | 0 | 111.5 | I318 P323 S328 Y329 L330 | I318-L326 HydrophobicContact CG2-CD2 3.39Å; I318-L326 HydrophobicContact CG2-CG 3.68Å; P323-L326 PolarHBondContact O-N 3.17Å; L326-S328 PolarHBondContact O-N 3.31Å; L326-Y329 HydrophobicContact CD1-CD1 4.48Å; L326-Y329 PolarHBondContact O-N 2.73Å; L326-L330 HydrophobicContact CD1-CD2 4.46Å; L326-L330 HydrophobicContact CD1-CG 4.21Å; L326-L330 HydrophobicContact CG-CD1 4.48Å; L326-L330 HydrophobicContact CG-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CB 3.5Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 3.14Å |
| 327 | S | 92.2 | Very high | 89.8 | Confident | 29 Ų | 29 | 52 Ų | 52 | 20% | 0.203 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 175.3 | 166.9 | 0 | 0 | 0 | 0 | 111.5 | R319 P323 S331 | R319-S327 VanDerWaalsContact O-CB 3.26Å; R319-S327 WeakPolarHBondContact O-CB 3.4Å; R319-S327 PolarHBondContact O-OG 2.8Å; P323-S327 WeakPolarHBondContact O-CB 3.49Å; P323-S327 PolarHBondContact O-N 3.47Å; S327-S331 WeakPolarHBondContact O-CB 3.11Å; S327-S331 PolarHBondContact O-N 3.44Å; S327-S331 PolarHBondContact O-OG 3.31Å |
| 328 | S | 90.8 | Very high | 89.3 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 176 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | S324 L326 L330 S331 T332 | S324-S328 VanDerWaalsContact O-CB 3.23Å; S324-S328 WeakPolarHBondContact O-CB 3.24Å; S324-S328 PolarHBondContact O-N 3.15Å; L326-S328 PolarHBondContact O-N 3.31Å; S328-L330 PolarHBondContact O-N 2.83Å; S328-S331 PolarHBondContact O-N 3.09Å; S328-T332 PolarHBondContact O-N 3.04Å; S328-T332 PolarHBondContact O-OG1 2.69Å; S328-T332 VanDerWaalsContact O-OG1 3.12Å |
| 329 | Y | 90.7 | Very high | 88.6 | Confident | 114 Ų | 114 | 56.4 Ų | 56.4 | 45% | 0.447 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 178.1 | 176.4 | -106.2 | 0 | 0 | 0 | 112.2 | T325 L326 S331 T332 L333 | T325-Y329 VanDerWaalsContact O-CB 3.32Å; T325-Y329 WeakPolarHBondContact O-CB 3.48Å; T325-Y329 PolarHBondContact O-N 3.04Å; L326-Y329 HydrophobicContact CD1-CD1 4.48Å; L326-Y329 PolarHBondContact O-N 2.73Å; Y329-S331 VanDerWaalsContact C-N 3.31Å; Y329-S331 PolarHBondContact O-N 2.66Å; Y329-T332 PolarHBondContact O-N 2.94Å; Y329-L333 HydrophobicContact CD1-CD1 3.9Å; Y329-L333 HydrophobicContact CD1-CG 4.37Å; Y329-L333 HydrophobicContact CE1-CD1 3.32Å; Y329-L333 HydrophobicContact CE1-CG 4Å; Y329-L333 HydrophobicContact CE2-CD1 4.46Å; Y329-L333 HydrophobicContact CE2-CD2 4.32Å; Y329-L333 HydrophobicContact CE2-CG 4.3Å; Y329-L333 WeakPolarHBondContact O-CG 3.44Å; Y329-L333 PolarHBondContact O-N 3.15Å |
| 330 | L | 91.5 | Very high | 87.5 | Confident | 19 Ų | 19 | 57.2 Ų | 57.2 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -38.2 | 178.2 | -68.6 | -170.6 | 0 | 0 | 0 | 112 | F315 I318 R319 L326 S328 L333 V334 | F315-L330 HydrophobicContact CD2-CD1 4.37Å; F315-L330 HydrophobicContact CD2-CD2 4.41Å; F315-L330 HydrophobicContact CE2-CB 4.32Å; F315-L330 HydrophobicContact CE2-CD1 4.16Å; F315-L330 HydrophobicContact CE2-CD2 3.66Å; F315-L330 HydrophobicContact CE2-CG 4.25Å; F315-L330 HydrophobicContact CZ-CB 3.9Å; F315-L330 HydrophobicContact CZ-CD1 4.35Å; F315-L330 HydrophobicContact CZ-CD2 4.09Å; F315-L330 HydrophobicContact CZ-CG 4.33Å; I318-L330 HydrophobicContact CB-CD1 3.82Å; I318-L330 HydrophobicContact CG2-CD1 3.47Å; I318-L330 VanDerWaalsContact CG2-CD1 3.47Å; R319-L330 HydrophobicContact CB-CB 4.17Å; R319-L330 HydrophobicContact CB-CD1 4.33Å; R319-L330 HydrophobicContact CG-CB 4.11Å; L326-L330 HydrophobicContact CD1-CD2 4.46Å; L326-L330 HydrophobicContact CD1-CG 4.21Å; L326-L330 HydrophobicContact CG-CD1 4.48Å; L326-L330 HydrophobicContact CG-CG 4.44Å; L326-L330 WeakPolarHBondContact O-CB 3.5Å; L326-L330 VanDerWaalsContact O-CG 3.31Å; L326-L330 WeakPolarHBondContact O-CG 3.49Å; L326-L330 PolarHBondContact O-N 3.14Å; S328-L330 PolarHBondContact O-N 2.83Å; L330-L333 HydrophobicContact CD2-CD1 4.08Å; L330-L333 WeakPolarHBondContact O-CB 3.27Å; L330-L333 PolarHBondContact O-N 3.33Å; L330-V334 WeakPolarHBondContact O-CG2 3.16Å; L330-V334 PolarHBondContact O-N 3.19Å |
| 331 | S | 90 | Very high | 86.5 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 23% | 0.231 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | R319 S327 S328 Y329 L333 V334 D335 | R319-S331 WeakPolarHBondContact CG-OG 3.45Å; S327-S331 WeakPolarHBondContact O-CB 3.11Å; S327-S331 PolarHBondContact O-N 3.44Å; S327-S331 PolarHBondContact O-OG 3.31Å; S328-S331 PolarHBondContact O-N 3.09Å; Y329-S331 VanDerWaalsContact C-N 3.31Å; Y329-S331 PolarHBondContact O-N 2.66Å; S331-L333 VanDerWaalsContact C-N 3.3Å; S331-L333 PolarHBondContact O-N 2.92Å; S331-V334 PolarHBondContact O-N 3.47Å; S331-D335 PolarHBondContact O-N 2.77Å; S331-D335 VanDerWaalsContact O-N 3.11Å |
| 332 | T | 86.3 | Confident | 85.9 | Confident | 78 Ų | 78 | 53.8 Ų | 53.8 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -31.7 | 174.5 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | S328 Y329 | S328-T332 PolarHBondContact O-N 3.04Å; S328-T332 PolarHBondContact O-OG1 2.69Å; S328-T332 VanDerWaalsContact O-OG1 3.12Å; Y329-T332 PolarHBondContact O-N 2.94Å |
| 333 | L | 86.4 | Confident | 84.7 | Confident | 50 Ų | 50 | 56.8 Ų | 56.8 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 176.9 | -77.4 | -178.1 | 0 | 0 | 0 | 113 | Y329 L330 S331 | Y329-L333 HydrophobicContact CD1-CD1 3.9Å; Y329-L333 HydrophobicContact CD1-CG 4.37Å; Y329-L333 HydrophobicContact CE1-CD1 3.32Å; Y329-L333 HydrophobicContact CE1-CG 4Å; Y329-L333 HydrophobicContact CE2-CD1 4.46Å; Y329-L333 HydrophobicContact CE2-CD2 4.32Å; Y329-L333 HydrophobicContact CE2-CG 4.3Å; Y329-L333 WeakPolarHBondContact O-CG 3.44Å; Y329-L333 PolarHBondContact O-N 3.15Å; L330-L333 HydrophobicContact CD2-CD1 4.08Å; L330-L333 WeakPolarHBondContact O-CB 3.27Å; L330-L333 PolarHBondContact O-N 3.33Å; S331-L333 VanDerWaalsContact C-N 3.3Å; S331-L333 PolarHBondContact O-N 2.92Å |
| 334 | V | 87.2 | Confident | 83.8 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -98.2 | -8.8 | -175.2 | -64.9 | 0 | 0 | 0 | 0 | 114.7 | F315 L330 S331 P336 F337 R338 L347 | F315-V334 HydrophobicContact CE1-CG1 3.55Å; F315-V334 HydrophobicContact CE1-CG2 4.29Å; F315-V334 HydrophobicContact CE2-CG1 4.32Å; F315-V334 HydrophobicContact CZ-CB 4.5Å; F315-V334 HydrophobicContact CZ-CG1 3.32Å; F315-V334 HydrophobicContact CZ-CG2 4.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.16Å; L330-V334 PolarHBondContact O-N 3.19Å; S331-V334 PolarHBondContact O-N 3.47Å; V334-P336 VanDerWaalsContact C-N 3.28Å; V334-F337 WeakPolarHBondContact O-CA 3.5Å; V334-F337 WeakPolarHBondContact O-CB 3.48Å; V334-F337 PolarHBondContact O-N 2.84Å; V334-R338 PolarHBondContact O-N 3.4Å; V334-L347 HydrophobicContact CB-CD2 3.56Å; V334-L347 HydrophobicContact CG1-CD2 4.11Å; V334-L347 HydrophobicContact CG2-CD2 3.54Å |
| 335 | D | 83.3 | Confident | 83.3 | Confident | 73 Ų | 73 | 53.6 Ų | 53.6 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -46.6 | -42.7 | 176.4 | -114.5 | 16.4 | 0 | 0 | 0 | 114.1 | M275 S331 F337 R338 | M275-D335 WeakPolarHBondContact CE-O 3.35Å; S331-D335 PolarHBondContact O-N 2.77Å; S331-D335 VanDerWaalsContact O-N 3.11Å; D335-F337 PolarHBondContact O-N 2.73Å; D335-F337 VanDerWaalsContact O-N 3.1Å; D335-R338 PolarHBondContact O-N 2.6Å; D335-R338 VanDerWaalsContact O-N 3.14Å; D335-R338 WeakPolarHBondContact OD1-CD 3.36Å; D335-R338 IonicContact OD1-NH1 3.51Å; D335-R338 PolarHBondContact OD1-NH1 3.14Å |
| 336 | P | 82.3 | Confident | 83.1 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -61.4 | -22.9 | 177.8 | -24.5 | 36.9 | 0 | 0 | 0 | 114 | Y209 M275 L278 V334 | Y209-P336 HydrophobicContact CD1-CB 4.3Å; Y209-P336 HydrophobicContact CD1-CG 4.14Å; Y209-P336 HydrophobicContact CE1-CB 3.67Å; Y209-P336 HydrophobicContact CE1-CG 3.53Å; M275-P336 HydrophobicContact CG-CB 4.48Å; L278-P336 HydrophobicContact CD2-CB 3.85Å; V334-P336 VanDerWaalsContact C-N 3.28Å |
| 337 | F | 82.8 | Confident | 83.1 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 15% | 0.154 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -96.8 | -6.1 | -177.5 | -55.8 | -76.6 | 0 | 0 | 0 | 113.6 | L278 R279 F282 V334 D335 | L278-F337 HydrophobicContact CD2-CE1 4.07Å; L278-F337 HydrophobicContact CD2-CZ 3.95Å; L278-F337 HydrophobicContact CG-CE1 3.99Å; L278-F337 HydrophobicContact CG-CZ 4.24Å; R279-F337 WeakPolarHBondContact CD-O 3.25Å; R279-F337 HydrophobicContact CG-CD1 4.18Å; F282-F337 HydrophobicContact CB-CE1 4.46Å; F282-F337 HydrophobicContact CD1-CE1 4.03Å; F282-F337 HydrophobicContact CD1-CZ 4.37Å; F282-F337 AromaticContact CD2-CE1 3.58Å; F282-F337 HydrophobicContact CD2-CE1 3.58Å; F282-F337 HydrophobicContact CD2-CZ 4.12Å; F282-F337 HydrophobicContact CE1-CE1 4.12Å; F282-F337 AromaticContact CE1-CZ 3.99Å; F282-F337 HydrophobicContact CE1-CZ 3.99Å; F282-F337 AromaticContact CE2-CE1 3.67Å; F282-F337 HydrophobicContact CE2-CE1 3.67Å; F282-F337 AromaticContact CE2-CZ 3.71Å; F282-F337 HydrophobicContact CE2-CZ 3.71Å; F282-F337 AromaticContact CG-CE1 3.75Å; F282-F337 HydrophobicContact CG-CE1 3.75Å; F282-F337 HydrophobicContact CG-CZ 4.42Å; F282-F337 AromaticContact CZ-CE1 3.94Å; F282-F337 HydrophobicContact CZ-CE1 3.94Å; F282-F337 AromaticContact CZ-CZ 3.64Å; F282-F337 HydrophobicContact CZ-CZ 3.64Å; V334-F337 WeakPolarHBondContact O-CA 3.5Å; V334-F337 WeakPolarHBondContact O-CB 3.48Å; V334-F337 PolarHBondContact O-N 2.84Å; D335-F337 PolarHBondContact O-N 2.73Å; D335-F337 VanDerWaalsContact O-N 3.1Å |
| 338 | R | 82.1 | Confident | 83 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 38% | 0.381 | 25% | 0.246 | S | C | . | . | trans | -66.3 | 137.2 | 178.8 | -64.6 | -178.6 | 72.6 | 179.6 | -1.7 | 110.5 | R279 V334 D335 D342 L347 | R279-R338 PolarHBondContact NH1-O 3.37Å; V334-R338 PolarHBondContact O-N 3.4Å; D335-R338 PolarHBondContact O-N 2.6Å; D335-R338 VanDerWaalsContact O-N 3.14Å; D335-R338 WeakPolarHBondContact OD1-CD 3.36Å; D335-R338 IonicContact OD1-NH1 3.51Å; D335-R338 PolarHBondContact OD1-NH1 3.14Å; R338-D342 PolarHBondContact NH2-O 3.33Å; R338-L347 HydrophobicContact CB-CD1 4.47Å; R338-L347 HydrophobicContact CG-CD1 3.88Å | ||
| 339 | D | 76.8 | Confident | 83.1 | Confident | 45 Ų | 45 | 43.2 Ų | 43.2 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | trans | -111.2 | 167.8 | 168.6 | -161.2 | -5.1 | 0 | 0 | 0 | 109.6 | R341 D342 | D339-R341 PolarHBondContact O-N 3.39Å; D339-R341 IonicContact OD2-NH1 2.75Å; D339-D342 PolarHBondContact N-OD2 2.72Å; D339-D342 CarbonylContact O-C 3.57Å; D339-D342 WeakPolarHBondContact O-CA 3.28Å; D339-D342 VanDerWaalsContact O-CB 3.29Å; D339-D342 WeakPolarHBondContact O-CB 3.12Å; D339-D342 PolarHBondContact O-N 3.11Å | ||
| 340 | K | 70.3 | Confident | 83.2 | Confident | 51 Ų | 51 | 39.6 Ų | 39.6 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -60.9 | -28.2 | 178.1 | -61.2 | 176.3 | -171.8 | -169.4 | 0 | 112.8 | D238 E239 D342 S343 | D238-K340 VanDerWaalsContact C-CE 3.46Å; D238-K340 VanDerWaalsContact O-CD 3.29Å; D238-K340 WeakPolarHBondContact O-CD 3.46Å; D238-K340 WeakPolarHBondContact O-CE 3.27Å; D238-K340 PolarHBondContact O-NZ 3.02Å; E239-K340 PolarHBondContact O-NZ 3.45Å; K340-D342 PolarHBondContact O-N 3.09Å; K340-S343 WeakPolarHBondContact O-CB 3.41Å; K340-S343 PolarHBondContact O-N 2.97Å; K340-S343 VanDerWaalsContact O-N 3.14Å; K340-S343 PolarHBondContact O-OG 2.98Å |
| 341 | R | 73 | Confident | 83.3 | Confident | 32 Ų | 32 | 39 Ų | 39 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.3 | -21 | 173.9 | -59.3 | 171.2 | -175.5 | 159.5 | -7.3 | 111.7 | D339 S343 Q466 D468 | D339-R341 PolarHBondContact O-N 3.39Å; D339-R341 IonicContact OD2-NH1 2.75Å; R341-S343 VanDerWaalsContact C-N 3.29Å; R341-Q466 PolarHBondContact NH2-O 2.99Å; R341-D468 IonicContact CZ-OD1 3.51Å; R341-D468 IonicContact CZ-OD2 2.71Å; R341-D468 IonicContact NH1-OD1 3.76Å; R341-D468 PolarHBondContact NH1-OD1 3.07Å; R341-D468 IonicContact NH1-OD2 3.43Å; R341-D468 PolarHBondContact NH1-OD2 3.35Å; R341-D468 VanDerWaalsContact NH2-CG 3.3Å; R341-D468 IonicContact NH2-OD1 3.91Å; R341-D468 IonicContact NH2-OD2 3.71Å; R341-D468 PolarHBondContact NH2-OD2 3.1Å |
| 342 | D | 77.6 | Confident | 83.6 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -95 | 28.4 | 173.3 | -50.7 | -58.4 | 0 | 0 | 0 | 112.1 | R338 D339 K340 G344 L347 F348 T349 | R338-D342 PolarHBondContact NH2-O 3.33Å; D339-D342 PolarHBondContact N-OD2 2.72Å; D339-D342 CarbonylContact O-C 3.57Å; D339-D342 WeakPolarHBondContact O-CA 3.28Å; D339-D342 VanDerWaalsContact O-CB 3.29Å; D339-D342 WeakPolarHBondContact O-CB 3.12Å; D339-D342 PolarHBondContact O-N 3.11Å; K340-D342 PolarHBondContact O-N 3.09Å; D342-G344 PolarHBondContact O-N 3.27Å; D342-L347 HydrophobicContact CB-CD1 3.83Å; D342-F348 PolarHBondContact OD1-N 3.39Å; D342-T349 PolarHBondContact OD1-N 3.47Å; D342-T349 PolarHBondContact OD1-OG1 3.04Å; D342-T349 VanDerWaalsContact OD1-OG1 3.1Å; D342-T349 WeakPolarHBondContact OD2-CB 3.36Å; D342-T349 PolarHBondContact OD2-OG1 3.31Å |
| 343 | S | 67.6 | Low | 84 | Confident | 79 Ų | 79 | 34.7 Ų | 34.7 | 55% | 0.552 | 18% | 0.183 | S | C | * | . | trans | -66.9 | -16 | 173.5 | 45.4 | 0 | 0 | 0 | 0 | 113.3 | K340 R341 | K340-S343 WeakPolarHBondContact O-CB 3.41Å; K340-S343 PolarHBondContact O-N 2.97Å; K340-S343 VanDerWaalsContact O-N 3.14Å; K340-S343 PolarHBondContact O-OG 2.98Å; R341-S343 VanDerWaalsContact C-N 3.29Å | ||
| 344 | G | 73 | Confident | 84.5 | Confident | 12 Ų | 12 | 32.5 Ų | 32.5 | 12% | 0.124 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -86.1 | -168.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | S103 D342 I346 | S103-G344 WeakPolarHBondContact OG-CA 3.37Å; D342-G344 PolarHBondContact O-N 3.27Å; G344-I346 VanDerWaalsContact C-N 3.27Å; G344-I346 PolarHBondContact O-N 3.32Å |
| 345 | D | 81.3 | Confident | 85 | Confident | 89 Ų | 89 | 32.6 Ų | 32.6 | 48% | 0.476 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -72.6 | -18.6 | -174.5 | -69.6 | -21.5 | 0 | 0 | 0 | 114 | R319 R320 | R319-D345 PolarHBondContact NH2-O 3.05Å; R320-D345 VanDerWaalsContact CD-O 3.28Å; R320-D345 WeakPolarHBondContact CD-O 3.35Å; R320-D345 PolarHBondContact NE-O 3.4Å |
| 346 | I | 88.8 | Confident | 85.7 | Confident | 21 Ų | 21 | 29.1 Ų | 29.1 | 11% | 0.108 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -109.3 | 135.6 | -175.5 | -172.3 | 168.5 | 0 | 0 | 0 | 111 | F100 F104 G344 F348 | F100-I346 HydrophobicContact CB-CG2 4.17Å; F100-I346 HydrophobicContact CD1-CB 3.74Å; F100-I346 HydrophobicContact CD1-CD1 4.32Å; F100-I346 HydrophobicContact CD1-CG2 3.92Å; F100-I346 HydrophobicContact CE1-CB 3.96Å; F100-I346 HydrophobicContact CE1-CD1 3.93Å; F100-I346 HydrophobicContact CE1-CG1 4.39Å; F100-I346 HydrophobicContact CE2-CD1 4.45Å; F100-I346 HydrophobicContact CG-CB 4.41Å; F100-I346 HydrophobicContact CG-CG2 4.11Å; F100-I346 HydrophobicContact CZ-CD1 4.02Å; F104-I346 HydrophobicContact CE2-CG2 3.96Å; F104-I346 HydrophobicContact CZ-CG2 3.9Å; G344-I346 VanDerWaalsContact C-N 3.27Å; G344-I346 PolarHBondContact O-N 3.32Å; I346-F348 HydrophobicContact CD1-CD2 4.42Å; I346-F348 HydrophobicContact CG2-CB 4.47Å; I346-F348 PolarHBondContact O-N 3.36Å |
| 347 | L | 90.3 | Very high | 86.4 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 6% | 0.058 | 15% | 0.149 | C | C | . | . | trans | -86.3 | 91.2 | 171 | -177.3 | 60.5 | 0 | 0 | 0 | 108.7 | E316 V334 R338 D342 P350 | E316-L347 PolarHBondContact OE2-N 3.08Å; V334-L347 HydrophobicContact CB-CD2 3.56Å; V334-L347 HydrophobicContact CG1-CD2 4.11Å; V334-L347 HydrophobicContact CG2-CD2 3.54Å; R338-L347 HydrophobicContact CB-CD1 4.47Å; R338-L347 HydrophobicContact CG-CD1 3.88Å; D342-L347 HydrophobicContact CB-CD1 3.83Å; L347-P350 HydrophobicContact CD1-CG 4.35Å; L347-P350 HydrophobicContact CD2-CG 4.12Å; L347-P350 HydrophobicContact CG-CG 3.93Å | ||
| 348 | F | 91.7 | Very high | 87.1 | Confident | 17 Ų | 17 | 26.9 Ų | 26.9 | 8% | 0.075 | 14% | 0.141 | C | C | . | . | trans | -94.7 | -29.1 | -171.3 | -166.5 | -101.7 | 0 | 0 | 0 | 113.4 | F104 L112 D342 I346 I351 A352 L355 I467 | F104-F348 HydrophobicContact CE1-CB 4.07Å; F104-F348 AromaticContact CE1-CD1 3.74Å; F104-F348 HydrophobicContact CE1-CD1 3.74Å; F104-F348 AromaticContact CE1-CD2 3.7Å; F104-F348 HydrophobicContact CE1-CD2 3.7Å; F104-F348 HydrophobicContact CE1-CE1 4.12Å; F104-F348 HydrophobicContact CE1-CE2 4.09Å; F104-F348 AromaticContact CE1-CG 3.52Å; F104-F348 HydrophobicContact CE1-CG 3.52Å; F104-F348 HydrophobicContact CE1-CZ 4.3Å; F104-F348 HydrophobicContact CZ-CB 4.27Å; F104-F348 AromaticContact CZ-CD2 3.69Å; F104-F348 HydrophobicContact CZ-CD2 3.69Å; F104-F348 HydrophobicContact CZ-CE2 4.19Å; F104-F348 AromaticContact CZ-CG 3.89Å; F104-F348 HydrophobicContact CZ-CG 3.89Å; L112-F348 HydrophobicContact CD1-CE1 4.32Å; L112-F348 HydrophobicContact CD1-CE2 4.14Å; L112-F348 HydrophobicContact CD1-CZ 3.79Å; L112-F348 HydrophobicContact CD2-CE1 4.32Å; L112-F348 HydrophobicContact CD2-CE2 4.3Å; L112-F348 HydrophobicContact CD2-CZ 3.54Å; L112-F348 HydrophobicContact CG-CZ 4.3Å; D342-F348 PolarHBondContact OD1-N 3.39Å; I346-F348 HydrophobicContact CD1-CD2 4.42Å; I346-F348 HydrophobicContact CG2-CB 4.47Å; I346-F348 PolarHBondContact O-N 3.36Å; F348-I351 HydrophobicContact CD2-CB 4.23Å; F348-I351 HydrophobicContact CD2-CG2 4.27Å; F348-I351 HydrophobicContact CE2-CB 4.26Å; F348-I351 HydrophobicContact CE2-CG2 3.84Å; F348-I351 HydrophobicContact CZ-CG2 4.36Å; F348-I351 CarbonylContact O-C 3.58Å; F348-I351 WeakPolarHBondContact O-CA 3.4Å; F348-I351 WeakPolarHBondContact O-CB 3.37Å; F348-I351 PolarHBondContact O-N 3.43Å; F348-A352 HydrophobicContact CD1-CB 3.83Å; F348-A352 HydrophobicContact CE1-CB 3.62Å; F348-A352 HydrophobicContact CZ-CB 4.46Å; F348-A352 WeakPolarHBondContact O-CB 3.4Å; F348-A352 PolarHBondContact O-N 2.92Å; F348-L355 HydrophobicContact CZ-CD1 4.2Å; F348-I467 HydrophobicContact CD1-CD1 3.51Å; F348-I467 HydrophobicContact CD1-CG1 4.32Å; F348-I467 HydrophobicContact CE1-CD1 3.64Å; F348-I467 HydrophobicContact CE1-CG2 4.43Å | ||
| 349 | T | 91.5 | Very high | 87.8 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 6% | 0.055 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.8 | -44.5 | -176.5 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | D342 I351 A352 L353 | D342-T349 PolarHBondContact OD1-N 3.47Å; D342-T349 PolarHBondContact OD1-OG1 3.04Å; D342-T349 VanDerWaalsContact OD1-OG1 3.1Å; D342-T349 WeakPolarHBondContact OD2-CB 3.36Å; D342-T349 PolarHBondContact OD2-OG1 3.31Å; T349-I351 VanDerWaalsContact C-N 3.35Å; T349-I351 PolarHBondContact O-N 3.02Å; T349-A352 WeakPolarHBondContact O-CB 3.25Å; T349-A352 PolarHBondContact O-N 3.22Å; T349-L353 PolarHBondContact O-N 3.07Å |
| 350 | P | 92.6 | Very high | 88.6 | Confident | 37 Ų | 37 | 20.7 Ų | 20.7 | 24% | 0.24 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -36.5 | 175.4 | -21.7 | 34.8 | 0 | 0 | 0 | 113.1 | F312 L347 L354 | F312-P350 HydrophobicContact CE2-CB 4.38Å; L347-P350 HydrophobicContact CD1-CG 4.35Å; L347-P350 HydrophobicContact CD2-CG 4.12Å; L347-P350 HydrophobicContact CG-CG 3.93Å; P350-L354 PolarHBondContact O-N 3.3Å; P350-L354 VanDerWaalsContact O-N 3.11Å |
| 351 | I | 94.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 18.6 Ų | 18.6 | 4% | 0.036 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.2 | -63.4 | 169.3 | 0 | 0 | 0 | 109.8 | L309 F312 E316 F348 T349 L353 L354 L355 | L309-I351 HydrophobicContact CD1-CG2 4.19Å; F312-I351 HydrophobicContact CB-CG1 4.17Å; F312-I351 HydrophobicContact CD2-CG1 4.15Å; E316-I351 HydrophobicContact CG-CD1 4.2Å; F348-I351 HydrophobicContact CD2-CB 4.23Å; F348-I351 HydrophobicContact CD2-CG2 4.27Å; F348-I351 HydrophobicContact CE2-CB 4.26Å; F348-I351 HydrophobicContact CE2-CG2 3.84Å; F348-I351 HydrophobicContact CZ-CG2 4.36Å; F348-I351 CarbonylContact O-C 3.58Å; F348-I351 WeakPolarHBondContact O-CA 3.4Å; F348-I351 WeakPolarHBondContact O-CB 3.37Å; F348-I351 PolarHBondContact O-N 3.43Å; T349-I351 VanDerWaalsContact C-N 3.35Å; T349-I351 PolarHBondContact O-N 3.02Å; I351-L353 VanDerWaalsContact C-N 3.35Å; I351-L353 PolarHBondContact O-N 2.88Å; I351-L354 PolarHBondContact O-N 2.84Å; I351-L355 HydrophobicContact CG2-CD1 3.91Å; I351-L355 HydrophobicContact CG2-CG 4.25Å; I351-L355 WeakPolarHBondContact O-CB 3.32Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.06Å; I351-L355 PolarHBondContact O-N 3.29Å |
| 352 | A | 95.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F348 T349 L355 G356 I467 L470 | F348-A352 HydrophobicContact CD1-CB 3.83Å; F348-A352 HydrophobicContact CE1-CB 3.62Å; F348-A352 HydrophobicContact CZ-CB 4.46Å; F348-A352 WeakPolarHBondContact O-CB 3.4Å; F348-A352 PolarHBondContact O-N 2.92Å; T349-A352 WeakPolarHBondContact O-CB 3.25Å; T349-A352 PolarHBondContact O-N 3.22Å; A352-L355 PolarHBondContact O-N 3.32Å; A352-G356 PolarHBondContact O-N 2.96Å; A352-I467 HydrophobicContact CB-CG2 3.26Å; A352-L470 HydrophobicContact CB-CB 4.26Å |
| 353 | L | 95.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 20.5 Ų | 20.5 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 173.9 | 179.5 | 156.2 | 0 | 0 | 0 | 110.9 | H283 A286 T349 I351 L355 G356 L357 I396 | H283-L353 HydrophobicContact CB-CD1 4.15Å; H283-L353 VanDerWaalsContact CD2-CD1 3.44Å; H283-L353 WeakPolarHBondContact CD2-CD1 3.45Å; H283-L353 VanDerWaalsContact CE1-CD1 3.46Å; H283-L353 WeakPolarHBondContact CE1-CD1 3.38Å; H283-L353 WeakPolarHBondContact ND1-CD1 3.42Å; H283-L353 WeakPolarHBondContact NE2-CD1 3.43Å; A286-L353 HydrophobicContact CB-CD2 3.93Å; T349-L353 PolarHBondContact O-N 3.07Å; I351-L353 VanDerWaalsContact C-N 3.35Å; I351-L353 PolarHBondContact O-N 2.88Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 PolarHBondContact O-N 3.37Å; L353-G356 PolarHBondContact O-N 3.13Å; L353-L357 HydrophobicContact CD2-CD1 3.65Å; L353-L357 HydrophobicContact CG-CD1 4.42Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 2.93Å; L353-I396 HydrophobicContact CD1-CG2 4.5Å; L353-I396 HydrophobicContact CG-CG2 4.45Å |
| 354 | L | 97.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.5 | -46.5 | 177.2 | 179.7 | 64.6 | 0 | 0 | 0 | 111 | Y290 L308 L309 F312 P350 I351 L357 S358 | Y290-L354 VanDerWaalsContact OH-CD1 3.24Å; Y290-L354 WeakPolarHBondContact OH-CD1 3.28Å; L308-L354 HydrophobicContact CB-CD2 4.33Å; L308-L354 HydrophobicContact CD2-CD1 3.88Å; L308-L354 HydrophobicContact CG-CD1 4.33Å; L308-L354 HydrophobicContact CG-CD2 4.11Å; L309-L354 HydrophobicContact CB-CD2 3.75Å; L309-L354 HydrophobicContact CD1-CD2 4.01Å; L309-L354 HydrophobicContact CG-CD2 4.5Å; F312-L354 HydrophobicContact CD2-CB 4.34Å; F312-L354 HydrophobicContact CD2-CD2 3.72Å; F312-L354 HydrophobicContact CE2-CB 4.01Å; F312-L354 HydrophobicContact CE2-CD2 3.9Å; P350-L354 PolarHBondContact O-N 3.3Å; P350-L354 VanDerWaalsContact O-N 3.11Å; I351-L354 PolarHBondContact O-N 2.84Å; L354-L357 PolarHBondContact O-N 3.13Å; L354-S358 WeakPolarHBondContact O-CB 3.29Å; L354-S358 PolarHBondContact O-N 3.33Å; L354-S358 PolarHBondContact O-OG 3.41Å |
| 355 | L | 97.3 | Very high | 91.7 | Very high | 24 Ų | 24 | 21.2 Ų | 21.2 | 13% | 0.126 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65 | -41.4 | 178.8 | -70.4 | 176.2 | 0 | 0 | 0 | 112.2 | L112 L309 F348 I351 A352 L353 L357 S358 I359 W362 L470 | L112-L355 HydrophobicContact CD2-CD1 4.45Å; L309-L355 HydrophobicContact CD1-CD2 4.23Å; L309-L355 HydrophobicContact CD2-CD2 4.19Å; F348-L355 HydrophobicContact CZ-CD1 4.2Å; I351-L355 HydrophobicContact CG2-CD1 3.91Å; I351-L355 HydrophobicContact CG2-CG 4.25Å; I351-L355 WeakPolarHBondContact O-CB 3.32Å; I351-L355 VanDerWaalsContact O-CG 3.28Å; I351-L355 WeakPolarHBondContact O-CG 3.06Å; I351-L355 PolarHBondContact O-N 3.29Å; A352-L355 PolarHBondContact O-N 3.32Å; L353-L355 VanDerWaalsContact C-N 3.34Å; L353-L355 PolarHBondContact O-N 3.37Å; L355-L357 VanDerWaalsContact C-N 3.31Å; L355-L357 PolarHBondContact O-N 2.94Å; L355-S358 PolarHBondContact O-N 3.13Å; L355-I359 HydrophobicContact CB-CD1 3.92Å; L355-I359 HydrophobicContact CB-CG1 4.48Å; L355-I359 HydrophobicContact CD2-CD1 4.42Å; L355-I359 WeakPolarHBondContact O-CB 3.35Å; L355-I359 WeakPolarHBondContact O-CD1 3.18Å; L355-I359 WeakPolarHBondContact O-CG1 3.41Å; L355-I359 PolarHBondContact O-N 3.07Å; L355-W362 HydrophobicContact CD2-CZ3 4.02Å; L355-L470 HydrophobicContact CB-CD1 3.78Å |
| 356 | G | 97.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.4 | -35.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A352 L353 P360 N469 P473 | A352-G356 PolarHBondContact O-N 2.96Å; L353-G356 PolarHBondContact O-N 3.13Å; G356-P360 VanDerWaalsContact O-CD 3.23Å; G356-P360 WeakPolarHBondContact O-CD 3.38Å; G356-P360 WeakPolarHBondContact O-CG 3.36Å; G356-N469 WeakPolarHBondContact CA-O 3.43Å; G356-P473 WeakPolarHBondContact O-CB 3.27Å |
| 357 | L | 98 | Very high | 89.1 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -75.3 | -38.2 | 171.8 | -68.2 | 172.2 | 0 | 0 | 0 | 112.5 | A286 Y290 L353 L354 L355 G392 V393 I396 | A286-L357 HydrophobicContact CB-CD1 3.76Å; Y290-L357 HydrophobicContact CD1-CB 3.72Å; Y290-L357 HydrophobicContact CD2-CB 4.03Å; Y290-L357 HydrophobicContact CD2-CD1 3.73Å; Y290-L357 HydrophobicContact CD2-CG 4.36Å; Y290-L357 VanDerWaalsContact CE1-C 3.49Å; Y290-L357 HydrophobicContact CE1-CB 3.53Å; Y290-L357 WeakPolarHBondContact CE1-O 3.28Å; Y290-L357 HydrophobicContact CE2-CB 3.84Å; Y290-L357 HydrophobicContact CE2-CD1 3.82Å; Y290-L357 HydrophobicContact CE2-CG 4.44Å; Y290-L357 HydrophobicContact CG-CB 3.97Å; Y290-L357 HydrophobicContact CG-CD1 4.26Å; Y290-L357 HydrophobicContact CG-CD2 4.38Å; Y290-L357 HydrophobicContact CG-CG 4.45Å; L353-L357 HydrophobicContact CD2-CD1 3.65Å; L353-L357 HydrophobicContact CG-CD1 4.42Å; L353-L357 WeakPolarHBondContact O-CG 3.43Å; L353-L357 PolarHBondContact O-N 2.93Å; L354-L357 PolarHBondContact O-N 3.13Å; L355-L357 VanDerWaalsContact C-N 3.31Å; L355-L357 PolarHBondContact O-N 2.94Å; L357-G392 VanDerWaalsContact CD2-C 3.45Å; L357-G392 WeakPolarHBondContact CD2-O 3.46Å; L357-V393 HydrophobicContact CD2-CG2 4.44Å; L357-I396 HydrophobicContact CD2-CB 4.42Å; L357-I396 HydrophobicContact CD2-CD1 3.92Å; L357-I396 HydrophobicContact CG-CD1 3.84Å |
| 358 | S | 97.2 | Very high | 87 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -87.2 | -38.5 | -169.7 | -50.1 | 0 | 0 | 0 | 0 | 115 | Y290 L354 L355 P360 V361 W362 | Y290-S358 PolarHBondContact OH-OG 3.06Å; L354-S358 WeakPolarHBondContact O-CB 3.29Å; L354-S358 PolarHBondContact O-N 3.33Å; L354-S358 PolarHBondContact O-OG 3.41Å; L355-S358 PolarHBondContact O-N 3.13Å; S358-P360 VanDerWaalsContact C-CD 3.5Å; S358-P360 VanDerWaalsContact C-N 3.31Å; S358-V361 CarbonylContact O-C 3.59Å; S358-V361 WeakPolarHBondContact O-CA 3.37Å; S358-V361 VanDerWaalsContact O-CB 3.3Å; S358-V361 WeakPolarHBondContact O-CB 3.29Å; S358-V361 PolarHBondContact O-N 2.96Å; S358-W362 VanDerWaalsContact CB-CE2 3.44Å; S358-W362 VanDerWaalsContact CB-CH2 3.42Å; S358-W362 PolarHBondContact O-N 3.35Å |
| 359 | I | 96 | Very high | 84.8 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -40.8 | -176.5 | -68.2 | 163.4 | 0 | 0 | 0 | 111.6 | L115 L355 V361 W362 W363 L470 L474 M477 | L115-I359 HydrophobicContact CD1-CD1 3.72Å; L115-I359 HydrophobicContact CD2-CD1 3.99Å; L115-I359 HydrophobicContact CD2-CG2 4.27Å; L115-I359 HydrophobicContact CG-CD1 4.38Å; L355-I359 HydrophobicContact CB-CD1 3.92Å; L355-I359 HydrophobicContact CB-CG1 4.48Å; L355-I359 HydrophobicContact CD2-CD1 4.42Å; L355-I359 WeakPolarHBondContact O-CB 3.35Å; L355-I359 WeakPolarHBondContact O-CD1 3.18Å; L355-I359 WeakPolarHBondContact O-CG1 3.41Å; L355-I359 PolarHBondContact O-N 3.07Å; I359-V361 PolarHBondContact O-N 3.31Å; I359-W362 HydrophobicContact CG1-CE3 4.38Å; I359-W362 PolarHBondContact O-N 3.42Å; I359-W362 VanDerWaalsContact O-N 3.14Å; I359-W363 HydrophobicContact CG2-CE3 3.73Å; I359-W363 HydrophobicContact CG2-CZ3 4.24Å; I359-W363 WeakPolarHBondContact O-CB 3.46Å; I359-W363 PolarHBondContact O-N 2.97Å; I359-L470 HydrophobicContact CD1-CD1 3.72Å; I359-L474 HydrophobicContact CB-CD2 4.04Å; I359-L474 HydrophobicContact CD1-CD2 4.42Å; I359-L474 HydrophobicContact CG2-CD2 3.52Å; I359-M477 HydrophobicContact CG2-CE 4.39Å |
| 360 | P | 95.5 | Very high | 82.4 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -22.9 | 173.3 | -23.9 | 34.7 | 0 | 0 | 0 | 115.3 | G356 S358 S388 S389 S391 P473 M477 | G356-P360 VanDerWaalsContact O-CD 3.23Å; G356-P360 WeakPolarHBondContact O-CD 3.38Å; G356-P360 WeakPolarHBondContact O-CG 3.36Å; S358-P360 VanDerWaalsContact C-CD 3.5Å; S358-P360 VanDerWaalsContact C-N 3.31Å; P360-S388 WeakPolarHBondContact CB-O 3.2Å; P360-S389 WeakPolarHBondContact O-CA 3.47Å; P360-S389 PolarHBondContact O-OG 3.45Å; P360-S391 WeakPolarHBondContact CB-OG 3.37Å; P360-S391 WeakPolarHBondContact CG-OG 3.3Å; P360-P473 HydrophobicContact CG-CB 4.5Å; P360-M477 WeakPolarHBondContact CA-SD 3.47Å; P360-M477 HydrophobicContact CB-CG 4.48Å; P360-M477 HydrophobicContact CB-SD 3.85Å; P360-M477 HydrophobicContact CG-SD 4Å |
| 361 | V | 94.2 | Very high | 80.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 4% | 0.036 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -85.7 | -38.6 | 174.4 | -172.1 | 0 | 0 | 0 | 0 | 111 | Y290 L294 L301 S358 I359 L383 | Y290-V361 HydrophobicContact CD1-CG2 4.43Å; Y290-V361 HydrophobicContact CE1-CG2 4.46Å; L294-V361 HydrophobicContact CD2-CG2 4.06Å; L301-V361 HydrophobicContact CD2-CG2 4.41Å; S358-V361 CarbonylContact O-C 3.59Å; S358-V361 WeakPolarHBondContact O-CA 3.37Å; S358-V361 VanDerWaalsContact O-CB 3.3Å; S358-V361 WeakPolarHBondContact O-CB 3.29Å; S358-V361 PolarHBondContact O-N 2.96Å; I359-V361 PolarHBondContact O-N 3.31Å; V361-L383 HydrophobicContact CG1-CD2 3.65Å |
| 362 | W | 91.8 | Very high | 77.6 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -84 | -13.9 | -176.9 | -58.3 | -22 | 0 | 0 | 0 | 114.5 | S302 S305 V306 L309 L355 S358 I359 | S302-W362 PolarHBondContact O-NE1 2.92Å; S302-W362 VanDerWaalsContact OG-CD1 3.22Å; S302-W362 PolarHBondContact OG-NE1 3.22Å; S305-W362 VanDerWaalsContact OG-CZ2 3.32Å; S305-W362 WeakPolarHBondContact OG-CZ2 3.37Å; S305-W362 PolarHBondContact OG-NE1 2.81Å; S305-W362 VanDerWaalsContact OG-NE1 3.17Å; V306-W362 HydrophobicContact CB-CZ2 4.41Å; V306-W362 HydrophobicContact CG2-CH2 4.27Å; V306-W362 HydrophobicContact CG2-CZ2 3.55Å; L309-W362 HydrophobicContact CD2-CH2 3.92Å; L309-W362 HydrophobicContact CD2-CZ3 4.18Å; L355-W362 HydrophobicContact CD2-CZ3 4.02Å; S358-W362 VanDerWaalsContact CB-CE2 3.44Å; S358-W362 VanDerWaalsContact CB-CH2 3.42Å; S358-W362 PolarHBondContact O-N 3.35Å; I359-W362 HydrophobicContact CG1-CE3 4.38Å; I359-W362 PolarHBondContact O-N 3.42Å; I359-W362 VanDerWaalsContact O-N 3.14Å |
| 363 | W | 90.7 | Very high | 75 | Confident | 37 Ų | 37 | 66.7 Ų | 66.7 | 14% | 0.14 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 132.4 | -166 | -168.8 | -96.6 | 0 | 0 | 0 | 112.2 | V25 L28 L29 L115 V118 I359 Q365 M477 | V25-W363 HydrophobicContact CG1-CH2 4.16Å; V25-W363 HydrophobicContact CG2-CH2 4.45Å; L28-W363 HydrophobicContact CB-CH2 3.76Å; L28-W363 HydrophobicContact CB-CZ2 3.29Å; L28-W363 HydrophobicContact CD1-CH2 3.91Å; L28-W363 HydrophobicContact CD1-CZ2 4.2Å; L28-W363 HydrophobicContact CD1-CZ3 4.1Å; L28-W363 HydrophobicContact CG-CZ2 4.36Å; L29-W363 HydrophobicContact CD2-CZ2 3.9Å; L29-W363 HydrophobicContact CG-CH2 4.43Å; L29-W363 HydrophobicContact CG-CZ2 3.95Å; L115-W363 HydrophobicContact CD2-CZ3 3.99Å; V118-W363 HydrophobicContact CG1-CH2 4.33Å; V118-W363 HydrophobicContact CG1-CZ3 4.41Å; I359-W363 HydrophobicContact CG2-CE3 3.73Å; I359-W363 HydrophobicContact CG2-CZ3 4.24Å; I359-W363 WeakPolarHBondContact O-CB 3.46Å; I359-W363 PolarHBondContact O-N 2.97Å; W363-Q365 PolarHBondContact O-N 3.12Å; W363-M477 HydrophobicContact CB-SD 4.27Å; W363-M477 HydrophobicContact CD2-CE 3.89Å; W363-M477 HydrophobicContact CE3-CE 3.9Å; W363-M477 HydrophobicContact CG-CE 4.17Å; W363-M477 HydrophobicContact CG-SD 4.41Å; W363-M477 HydrophobicContact CZ3-CE 4.48Å |
| 364 | P | 76.1 | Confident | 72.7 | Confident | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.156 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 129.8 | -175.4 | -21.3 | 30.9 | 0 | 0 | 0 | 112.4 | V118 T122 | V118-P364 HydrophobicContact CG1-CG 3.85Å; T122-P364 HydrophobicContact CG2-CB 4.01Å; T122-P364 HydrophobicContact CG2-CG 3.84Å; T122-P364 VanDerWaalsContact OG1-CG 3.27Å; T122-P364 WeakPolarHBondContact OG1-CG 3.36Å |
| 365 | Q | 72 | Confident | 70.1 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 38% | 0.379 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -94.3 | 141.8 | 174.9 | 178.7 | 167.3 | 6.5 | 0 | 0 | 111.2 | W363 R367 K386 | W363-Q365 PolarHBondContact O-N 3.12Å; Q365-R367 PolarHBondContact O-N 3.47Å; Q365-K386 VanDerWaalsContact CD-NZ 3.26Å |
| 366 | N | 61.4 | Low | 67.9 | Low | 65 Ų | 65 | 78.7 Ų | 78.7 | 35% | 0.348 | 40% | 0.396 | S | S | . | . | trans | -63.2 | 102.8 | 164.2 | -170.2 | 5.8 | 0 | 0 | 0 | 108.4 | N368 | N366-N368 PolarHBondContact O-N 3.07Å; N366-N368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | R | 54.1 | Low | 65.5 | Low | 188 Ų | 188 | 81.8 Ų | 81.8 | 71% | 0.709 | 43% | 0.428 | S | S | * | . | trans | -70 | 108 | 169.6 | -59.3 | 179.8 | -167.6 | 173 | 4.4 | 105 | Q365 T369 | Q365-R367 PolarHBondContact O-N 3.47Å; R367-T369 PolarHBondContact O-N 3.35Å | ||
| 368 | N | 47.9 | Very low | 63.2 | Low | 128 Ų | 128 | 88.4 Ų | 88.4 | 68% | 0.684 | 46% | 0.463 | S | S | * | . | trans | -46.6 | 112.6 | 166 | -81.3 | -16.2 | 0 | 0 | 0 | 106.9 | N366 N370 R371 | N366-N368 PolarHBondContact O-N 3.07Å; N366-N368 VanDerWaalsContact O-N 3.14Å; N368-N370 PolarHBondContact O-N 3.29Å; N368-R371 PolarHBondContact O-N 2.85Å | ||
| 369 | T | 44 | Very low | 61.2 | Low | 112 Ų | 112 | 89.1 Ų | 89.1 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -60.2 | -5.5 | -170.6 | 42.7 | 0 | 0 | 0 | 0 | 113.2 | R367 R371 S372 | R367-T369 PolarHBondContact O-N 3.35Å; T369-R371 VanDerWaalsContact C-N 3.34Å; T369-S372 WeakPolarHBondContact O-CB 3.09Å; T369-S372 PolarHBondContact O-N 2.8Å; T369-S372 PolarHBondContact O-OG 3.11Å |
| 370 | N | 42.1 | Very low | 59.4 | Low | 151 Ų | 151 | 92.3 Ų | 92.3 | 81% | 0.807 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -79.3 | -8.4 | 175.7 | -60.7 | -4 | 0 | 0 | 0 | 113.7 | N368 | N368-N370 PolarHBondContact O-N 3.29Š|
| 371 | R | 43.9 | Very low | 57.8 | Low | 225 Ų | 225 | 98 Ų | 98 | 85% | 0.849 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -98.5 | 35 | 165 | -74.3 | -162.1 | -153.9 | 170.8 | 8.1 | 112.6 | N368 T369 M373 | N368-R371 PolarHBondContact O-N 2.85Å; T369-R371 VanDerWaalsContact C-N 3.34Å; R371-M373 PolarHBondContact O-N 3.49Å; R371-M373 VanDerWaalsContact O-N 3.07Å |
| 372 | S | 41.8 | Very low | 56.5 | Low | 107 Ų | 107 | 106 Ų | 106 | 75% | 0.748 | 55% | 0.548 | S | S | * | . | trans | -64.5 | -4.7 | 176.3 | 48.5 | 0 | 0 | 0 | 0 | 114.5 | T369 | T369-S372 WeakPolarHBondContact O-CB 3.09Å; T369-S372 PolarHBondContact O-N 2.8Å; T369-S372 PolarHBondContact O-OG 3.11Å | ||
| 373 | M | 40.1 | Very low | 55.8 | Low | 171 Ų | 171 | 105.3 Ų | 105.3 | 84% | 0.842 | 55% | 0.548 | S | S | * | . | trans | -97.5 | 99.3 | 162.3 | -72.4 | -175.9 | 176.4 | 0 | 0 | 109.7 | R371 S375 | R371-M373 PolarHBondContact O-N 3.49Å; R371-M373 VanDerWaalsContact O-N 3.07Å; M373-S375 VanDerWaalsContact C-N 3.29Å; M373-S375 PolarHBondContact O-N 2.95Å | ||
| 374 | I | 47.5 | Very low | 55.4 | Low | 132 Ų | 132 | 108.1 Ų | 108.1 | 68% | 0.677 | 57% | 0.565 | S | S | * | * | trans | -61.4 | 101.5 | 154.3 | -61.2 | 173.7 | 0 | 0 | 0 | 105 | I376 | I374-I376 PolarHBondContact O-N 3.17Š| ||
| 375 | S | 44 | Very low | 56.1 | Low | 76 Ų | 76 | 107.8 Ų | 107.8 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | trans | -63.6 | 108.8 | 164.2 | 179.9 | 0 | 0 | 0 | 0 | 106.3 | M373 G377 N378 | M373-S375 VanDerWaalsContact C-N 3.29Å; M373-S375 PolarHBondContact O-N 2.95Å; S375-G377 PolarHBondContact O-N 3.27Å; S375-N378 PolarHBondContact O-N 3.41Å | ||
| 376 | I | 51 | Low | 57 | Low | 92 Ų | 92 | 107.2 Ų | 107.2 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.3 | -20.7 | 177.1 | -56.5 | 172.3 | 0 | 0 | 0 | 110.5 | I374 L379 | I374-I376 PolarHBondContact O-N 3.17Å; I376-L379 HydrophobicContact CG2-CD1 4.27Å; I376-L379 VanDerWaalsContact O-CD1 3.29Å; I376-L379 WeakPolarHBondContact O-CD1 3.45Å |
| 377 | G | 46.8 | Very low | 58.6 | Low | 65 Ų | 65 | 104.4 Ų | 104.4 | 67% | 0.67 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -25.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | S375 | S375-G377 PolarHBondContact O-N 3.27Š|
| 378 | N | 49.9 | Very low | 60.6 | Low | 141 Ų | 141 | 96.6 Ų | 96.6 | 75% | 0.754 | 52% | 0.518 | S | S | * | . | trans | -104.9 | 69.4 | 175.1 | -74.3 | 0.8 | 0 | 0 | 0 | 109.1 | S375 | S375-N378 PolarHBondContact O-N 3.41Š| ||
| 379 | L | 54.9 | Low | 62.8 | Low | 15 Ų | 15 | 90.9 Ų | 90.9 | 8% | 0.079 | 49% | 0.489 | C | S | . | . | trans | -81.3 | -14.6 | -170.8 | -141.9 | 86.5 | 0 | 0 | 0 | 114.5 | F175 N178 Q179 I376 Y381 | F175-L379 VanDerWaalsContact CA-CD2 3.49Å; F175-L379 HydrophobicContact CB-CD2 4.18Å; F175-L379 HydrophobicContact CD2-CD1 3.84Å; F175-L379 HydrophobicContact CD2-CD2 3.78Å; F175-L379 HydrophobicContact CD2-CG 4.14Å; F175-L379 HydrophobicContact CE2-CD1 4.31Å; F175-L379 HydrophobicContact CE2-CD2 4.3Å; F175-L379 HydrophobicContact CE2-CG 4.39Å; F175-L379 HydrophobicContact CG-CD2 3.93Å; F175-L379 WeakPolarHBondContact O-CD2 3.49Å; N178-L379 HydrophobicContact CB-CB 3.69Å; N178-L379 HydrophobicContact CB-CD2 3.43Å; N178-L379 VanDerWaalsContact CB-CD2 3.43Å; N178-L379 HydrophobicContact CB-CG 4.13Å; Q179-L379 HydrophobicContact CG-CD2 4.14Å; Q179-L379 PolarHBondContact NE2-O 2.93Å; I376-L379 HydrophobicContact CG2-CD1 4.27Å; I376-L379 VanDerWaalsContact O-CD1 3.29Å; I376-L379 WeakPolarHBondContact O-CD1 3.45Å; L379-Y381 PolarHBondContact O-N 3.08Å | ||
| 380 | C | 58.7 | Low | 65.4 | Low | 80 Ų | 80 | 85.8 Ų | 85.8 | 54% | 0.541 | 46% | 0.457 | S | S | . | . | trans | -75.2 | 99.7 | 173.7 | -57.4 | 0 | 0 | 0 | 0 | 109.2 | C182 E382 | C182-C380 VanDerWaalsContact CA-SG 3.59Å; C182-C380 HydrophobicContact CB-CB 3.81Å; C182-C380 WeakPolarHBondContact CB-SG 3.47Å; C182-C380 WeakPolarHBondContact SG-CA 3.4Å; C182-C380 WeakPolarHBondContact SG-CB 3.49Å; C182-C380 PolarHBondContact SG-N 3.4Å; C182-C380 VanDerWaalsContact SG-N 3.36Å; C182-C380 CovalentContact SG-SG 2.03Å; C182-C380 PolarHBondContact SG-SG 3.06Å; C380-E382 PolarHBondContact O-N 3.13Å; C380-E382 VanDerWaalsContact O-N 3.15Å | ||
| 381 | Y | 61.6 | Low | 68 | Low | 122 Ų | 122 | 78.6 Ų | 78.6 | 48% | 0.478 | 42% | 0.418 | S | S | . | . | trans | -71.4 | 104.2 | 175.2 | 177.1 | -98.3 | 0 | 0 | 0 | 109 | H299 L379 L383 | H299-Y381 AromaticContact CE1-CD1 3.9Å; H299-Y381 AromaticContact ND1-CD1 3.71Å; L379-Y381 PolarHBondContact O-N 3.08Å; Y381-L383 HydrophobicContact CE1-CB 4.08Å; Y381-L383 HydrophobicContact CE1-CD1 3.61Å; Y381-L383 HydrophobicContact CE1-CG 4.46Å | ||
| 382 | E | 66.1 | Low | 70.6 | Confident | 175 Ų | 175 | 67.9 Ų | 67.9 | 82% | 0.818 | 38% | 0.378 | S | S | * | . | trans | -84.7 | 118.3 | 169.6 | -159.5 | 169 | -166.1 | 0 | 0 | 108.5 | C380 D384 | C380-E382 PolarHBondContact O-N 3.13Å; C380-E382 VanDerWaalsContact O-N 3.15Å; E382-D384 PolarHBondContact O-N 3.17Å | ||
| 383 | L | 76.6 | Confident | 73.2 | Confident | 25 Ų | 25 | 63 Ų | 63 | 13% | 0.131 | 34% | 0.344 | C | S | . | . | trans | -76.2 | 119 | 176.4 | -170.6 | 95.5 | 0 | 0 | 0 | 108.1 | P298 V361 Y381 V385 | P298-L383 HydrophobicContact CB-CB 4.1Å; P298-L383 HydrophobicContact CB-CD2 3.85Å; V361-L383 HydrophobicContact CG1-CD2 3.65Å; Y381-L383 HydrophobicContact CE1-CB 4.08Å; Y381-L383 HydrophobicContact CE1-CD1 3.61Å; Y381-L383 HydrophobicContact CE1-CG 4.46Å; L383-V385 PolarHBondContact O-N 3.25Å | ||
| 384 | D | 82.5 | Confident | 76 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | trans | -67.9 | 112.4 | 177.9 | -178.6 | 33.3 | 0 | 0 | 0 | 110.7 | E382 | E382-D384 PolarHBondContact O-N 3.17Š| ||
| 385 | V | 91.1 | Very high | 78.4 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.103 | 27% | 0.272 | C | S | . | . | trans | -78.9 | 126.4 | -178.8 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | L294 P298 L383 Y443 W445 | L294-V385 HydrophobicContact CD2-CG1 4.29Å; P298-V385 HydrophobicContact CB-CG2 3.99Å; P298-V385 HydrophobicContact CG-CG2 3.34Å; L383-V385 PolarHBondContact O-N 3.25Å; V385-Y443 HydrophobicContact CB-CE1 4.23Å; V385-Y443 HydrophobicContact CG1-CE1 4.31Å; V385-W445 HydrophobicContact CG1-CH2 4.29Å; V385-W445 VanDerWaalsContact O-CZ2 3.27Å; V385-W445 WeakPolarHBondContact O-CZ2 3.44Å | ||
| 386 | K | 91.8 | Very high | 80.8 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 30% | 0.3 | 25% | 0.248 | S | C | . | . | trans | -113 | 163.2 | 179.4 | -66.9 | -179.1 | -175.5 | -176.7 | 0 | 111.4 | Q365 S388 S389 | Q365-K386 VanDerWaalsContact CD-NZ 3.26Å; K386-S388 PolarHBondContact O-N 3.02Å; K386-S388 VanDerWaalsContact O-N 3.12Å; K386-S389 PolarHBondContact N-OG 3.07Å; K386-S389 WeakPolarHBondContact O-CB 3.48Å; K386-S389 PolarHBondContact O-N 2.86Å | ||
| 387 | P | 94.8 | Very high | 82.9 | Confident | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.032 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -46.9 | -42.5 | 169.4 | -32.8 | 37.7 | 0 | 0 | 0 | 113 | S389 W390 W436 W445 F480 L483 | P387-S389 VanDerWaalsContact C-N 3.29Å; P387-S389 PolarHBondContact O-N 2.99Å; P387-W390 PolarHBondContact O-N 2.98Å; P387-W436 HydrophobicContact CB-CH2 3.63Å; P387-W436 HydrophobicContact CB-CZ3 4.27Å; P387-W436 HydrophobicContact CG-CH2 4.14Å; P387-W445 HydrophobicContact CB-CE3 4.34Å; P387-W445 HydrophobicContact CB-CZ3 4.3Å; P387-W445 HydrophobicContact CG-CD2 3.84Å; P387-W445 HydrophobicContact CG-CE3 3.77Å; P387-W445 HydrophobicContact CG-CG 4.47Å; P387-W445 HydrophobicContact CG-CH2 4.26Å; P387-W445 HydrophobicContact CG-CZ2 4.33Å; P387-W445 HydrophobicContact CG-CZ3 3.98Å; P387-W445 VanDerWaalsContact N-CH2 3.33Å; P387-F480 HydrophobicContact CB-CB 4.42Å; P387-F480 HydrophobicContact CB-CD1 3.6Å; P387-F480 HydrophobicContact CB-CE1 4Å; P387-F480 HydrophobicContact CB-CG 4.07Å; P387-L483 HydrophobicContact CG-CD1 3.45Å; P387-L483 VanDerWaalsContact CG-CD1 3.45Å; P387-L483 HydrophobicContact CG-CG 4.01Å |
| 388 | S | 94.7 | Very high | 85.2 | Confident | 24 Ų | 24 | 38.6 Ų | 38.6 | 17% | 0.168 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -66.6 | -27.2 | -178.6 | 62.6 | 0 | 0 | 0 | 0 | 113.6 | P360 K386 W390 S391 | P360-S388 WeakPolarHBondContact CB-O 3.2Å; K386-S388 PolarHBondContact O-N 3.02Å; K386-S388 VanDerWaalsContact O-N 3.12Å; S388-W390 PolarHBondContact O-N 2.83Å; S388-S391 VanDerWaalsContact O-CB 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.47Å; S388-S391 PolarHBondContact O-N 3.15Å; S388-S391 VanDerWaalsContact O-N 3.12Å; S388-S391 PolarHBondContact O-OG 2.86Å |
| 389 | S | 95.4 | Very high | 87.4 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -65.3 | -21.8 | 178.2 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | P360 K386 P387 | P360-S389 WeakPolarHBondContact O-CA 3.47Å; P360-S389 PolarHBondContact O-OG 3.45Å; K386-S389 PolarHBondContact N-OG 3.07Å; K386-S389 WeakPolarHBondContact O-CB 3.48Å; K386-S389 PolarHBondContact O-N 2.86Å; P387-S389 VanDerWaalsContact C-N 3.29Å; P387-S389 PolarHBondContact O-N 2.99Å |
| 390 | W | 97.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.015 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -85.8 | -3.9 | 177.1 | -72.6 | 92 | 0 | 0 | 0 | 113.8 | L294 L295 P387 S388 G392 V393 L394 I439 Y443 | L294-W390 HydrophobicContact CB-CH2 3.9Å; L294-W390 HydrophobicContact CB-CZ2 3.59Å; L294-W390 HydrophobicContact CD1-CD2 3.76Å; L294-W390 HydrophobicContact CD1-CE3 3.88Å; L294-W390 HydrophobicContact CD1-CG 4.25Å; L294-W390 HydrophobicContact CD1-CH2 4.37Å; L294-W390 HydrophobicContact CD1-CZ2 4.24Å; L294-W390 HydrophobicContact CD1-CZ3 4.2Å; L295-W390 HydrophobicContact CD1-CH2 4.33Å; L295-W390 HydrophobicContact CD2-CH2 4.07Å; L295-W390 HydrophobicContact CD2-CZ2 3.94Å; L295-W390 HydrophobicContact CG-CH2 3.83Å; L295-W390 HydrophobicContact CG-CZ2 4.05Å; P387-W390 PolarHBondContact O-N 2.98Å; S388-W390 PolarHBondContact O-N 2.83Å; W390-G392 VanDerWaalsContact C-N 3.3Å; W390-G392 PolarHBondContact O-N 3.37Å; W390-V393 HydrophobicContact CE3-CB 4.04Å; W390-V393 HydrophobicContact CE3-CG1 4.05Å; W390-V393 HydrophobicContact CE3-CG2 4.28Å; W390-V393 HydrophobicContact CZ3-CB 4.5Å; W390-V393 HydrophobicContact CZ3-CG1 4.14Å; W390-V393 PolarHBondContact O-N 3.46Å; W390-L394 HydrophobicContact CB-CD1 3.95Å; W390-L394 HydrophobicContact CB-CG 4.4Å; W390-L394 WeakPolarHBondContact O-CB 3.33Å; W390-L394 WeakPolarHBondContact O-CG 3.46Å; W390-L394 PolarHBondContact O-N 3.33Å; W390-I439 HydrophobicContact CD2-CD1 3.79Å; W390-I439 HydrophobicContact CD2-CG1 4.38Å; W390-I439 HydrophobicContact CD2-CG2 3.98Å; W390-I439 HydrophobicContact CE3-CD1 3.42Å; W390-I439 VanDerWaalsContact CE3-CD1 3.42Å; W390-I439 HydrophobicContact CE3-CG1 4.23Å; W390-I439 HydrophobicContact CG-CD1 4.36Å; W390-I439 HydrophobicContact CG-CG2 4.09Å; W390-I439 HydrophobicContact CH2-CD1 4.38Å; W390-I439 HydrophobicContact CH2-CG1 4.39Å; W390-I439 HydrophobicContact CZ2-CG2 4.32Å; W390-I439 HydrophobicContact CZ3-CD1 3.75Å; W390-I439 HydrophobicContact CZ3-CG1 4.23Å; W390-Y443 AromaticContact CE2-CE2 3.87Å; W390-Y443 AromaticContact CZ2-CE2 3.8Å; W390-Y443 HydrophobicContact CZ2-CE2 3.8Å; W390-Y443 AromaticContact NE1-CE2 3.46Å |
| 391 | S | 97.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.4 | -39.6 | -173.1 | 71.3 | 0 | 0 | 0 | 0 | 113 | P360 S388 S395 P473 | P360-S391 WeakPolarHBondContact CB-OG 3.37Å; P360-S391 WeakPolarHBondContact CG-OG 3.3Å; S388-S391 VanDerWaalsContact O-CB 3.3Å; S388-S391 WeakPolarHBondContact O-CB 3.47Å; S388-S391 PolarHBondContact O-N 3.15Å; S388-S391 VanDerWaalsContact O-N 3.12Å; S388-S391 PolarHBondContact O-OG 2.86Å; S391-S395 WeakPolarHBondContact O-CB 3.46Å; S391-S395 PolarHBondContact O-N 2.75Å; S391-S395 PolarHBondContact O-OG 2.86Å; S391-P473 VanDerWaalsContact CB-O 3.28Å; S391-P473 WeakPolarHBondContact CB-O 3.36Å; S391-P473 PolarHBondContact OG-O 3.08Å |
| 392 | G | 97.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.8 | -46.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L357 W390 S395 I396 | L357-G392 VanDerWaalsContact CD2-C 3.45Å; L357-G392 WeakPolarHBondContact CD2-O 3.46Å; W390-G392 VanDerWaalsContact C-N 3.3Å; W390-G392 PolarHBondContact O-N 3.37Å; G392-S395 PolarHBondContact O-OG 3.43Å; G392-I396 VanDerWaalsContact O-CB 3.28Å; G392-I396 WeakPolarHBondContact O-CB 3.39Å; G392-I396 WeakPolarHBondContact O-CG1 3.33Å; G392-I396 PolarHBondContact O-N 2.89Å |
| 393 | V | 98 | Very high | 93.6 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -62.3 | -48.4 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | S291 L294 L357 W390 A397 V398 | S291-V393 WeakPolarHBondContact OG-CG1 3.3Å; L294-V393 HydrophobicContact CD1-CG2 4.16Å; L357-V393 HydrophobicContact CD2-CG2 4.44Å; W390-V393 HydrophobicContact CE3-CB 4.04Å; W390-V393 HydrophobicContact CE3-CG1 4.05Å; W390-V393 HydrophobicContact CE3-CG2 4.28Å; W390-V393 HydrophobicContact CZ3-CB 4.5Å; W390-V393 HydrophobicContact CZ3-CG1 4.14Å; W390-V393 PolarHBondContact O-N 3.46Å; V393-A397 HydrophobicContact CG1-CB 4.44Å; V393-A397 WeakPolarHBondContact O-CA 3.46Å; V393-A397 VanDerWaalsContact O-CB 3.27Å; V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.38Å; V393-V398 PolarHBondContact O-N 3.31Å |
| 394 | L | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | I | π-helix | trans | -62.8 | -48.7 | -178.6 | -70.5 | 164.5 | 0 | 0 | 0 | 111.1 | W390 V398 G399 Q432 V435 W436 I439 L454 F480 | W390-L394 HydrophobicContact CB-CD1 3.95Å; W390-L394 HydrophobicContact CB-CG 4.4Å; W390-L394 WeakPolarHBondContact O-CB 3.33Å; W390-L394 WeakPolarHBondContact O-CG 3.46Å; W390-L394 PolarHBondContact O-N 3.33Å; L394-V398 WeakPolarHBondContact O-CB 3.11Å; L394-G399 PolarHBondContact O-N 3.07Å; L394-Q432 HydrophobicContact CB-CG 4.49Å; L394-Q432 WeakPolarHBondContact O-CG 3.14Å; L394-Q432 PolarHBondContact O-OE1 3.34Å; L394-V435 HydrophobicContact CD2-CB 4.21Å; L394-V435 HydrophobicContact CD2-CG1 4Å; L394-W436 HydrophobicContact CD1-CE3 3.78Å; L394-W436 HydrophobicContact CD2-CB 4.12Å; L394-I439 HydrophobicContact CD2-CD1 4.15Å; L394-L454 HydrophobicContact CB-CD2 3.95Å; L394-L454 HydrophobicContact CD1-CD2 3.99Å; L394-L454 HydrophobicContact CG-CD2 4.47Å; L394-F480 HydrophobicContact CD1-CE2 4.42Å; L394-F480 HydrophobicContact CD1-CZ 4.1Å |
| 395 | S | 97.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -72.9 | -47.8 | -177.2 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | S391 G392 G399 D400 P473 | S391-S395 WeakPolarHBondContact O-CB 3.46Å; S391-S395 PolarHBondContact O-N 2.75Å; S391-S395 PolarHBondContact O-OG 2.86Å; G392-S395 PolarHBondContact O-OG 3.43Å; S395-G399 WeakPolarHBondContact O-CA 3.33Å; S395-G399 PolarHBondContact O-N 3.49Å; S395-D400 PolarHBondContact O-N 3.5Å; S395-P473 WeakPolarHBondContact OG-CG 3.1Å |
| 396 | I | 95.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.015 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -85 | -54.1 | -172.7 | -57.4 | 165.1 | 0 | 0 | 0 | 111.2 | H283 L353 L357 G392 D400 N469 P473 | H283-I396 HydrophobicContact CB-CG2 4.34Å; L353-I396 HydrophobicContact CD1-CG2 4.5Å; L353-I396 HydrophobicContact CG-CG2 4.45Å; L357-I396 HydrophobicContact CD2-CB 4.42Å; L357-I396 HydrophobicContact CD2-CD1 3.92Å; L357-I396 HydrophobicContact CG-CD1 3.84Å; G392-I396 VanDerWaalsContact O-CB 3.28Å; G392-I396 WeakPolarHBondContact O-CB 3.39Å; G392-I396 WeakPolarHBondContact O-CG1 3.33Å; G392-I396 PolarHBondContact O-N 2.89Å; I396-D400 WeakPolarHBondContact O-CB 3.5Å; I396-N469 VanDerWaalsContact CD1-O 3.32Å; I396-N469 WeakPolarHBondContact CD1-O 3.38Å; I396-P473 HydrophobicContact CD1-CG 3.61Å; I396-P473 HydrophobicContact CG1-CG 3.82Å |
| 397 | A | 94.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 18.4 Ų | 18.4 | 3% | 0.033 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -76.5 | -36.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V393 S401 | V393-A397 HydrophobicContact CG1-CB 4.44Å; V393-A397 WeakPolarHBondContact O-CA 3.46Å; V393-A397 VanDerWaalsContact O-CB 3.27Å; V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.38Å; A397-S401 WeakPolarHBondContact O-CB 3.35Å; A397-S401 PolarHBondContact O-OG 2.96Å |
| 398 | V | 96.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 9% | 0.085 | 12% | 0.12 | C | C | . | . | I | π-helix | trans | -95.8 | -64.3 | -178 | -176 | 0 | 0 | 0 | 0 | 110.2 | V393 L394 S401 F402 Q432 V435 | V393-V398 PolarHBondContact O-N 3.31Å; L394-V398 WeakPolarHBondContact O-CB 3.11Å; V398-S401 PolarHBondContact O-N 3.38Å; V398-F402 HydrophobicContact CG1-CD2 4.25Å; V398-F402 WeakPolarHBondContact O-CD2 3.47Å; V398-F402 PolarHBondContact O-N 3Å; V398-Q432 HydrophobicContact CB-CG 4.34Å; V398-Q432 HydrophobicContact CG1-CG 4.21Å; V398-V435 HydrophobicContact CG1-CB 4.4Å; V398-V435 HydrophobicContact CG1-CG2 3.86Å; V398-V435 HydrophobicContact CG2-CB 4.3Å; V398-V435 HydrophobicContact CG2-CG1 4.15Å; V398-V435 HydrophobicContact CG2-CG2 4Å |
| 399 | G | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -55.5 | -61.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L394 S395 S401 F402 A403 S428 | L394-G399 PolarHBondContact O-N 3.07Å; S395-G399 WeakPolarHBondContact O-CA 3.33Å; S395-G399 PolarHBondContact O-N 3.49Å; G399-S401 VanDerWaalsContact C-N 3.33Å; G399-S401 PolarHBondContact O-N 2.99Å; G399-F402 PolarHBondContact O-N 2.97Å; G399-A403 VanDerWaalsContact O-CB 3.3Å; G399-A403 WeakPolarHBondContact O-CB 3.31Å; G399-A403 PolarHBondContact O-N 2.89Å; G399-S428 VanDerWaalsContact C-OG 3.29Å; G399-S428 WeakPolarHBondContact CA-OG 3.12Å; G399-S428 PolarHBondContact O-OG 2.86Å |
| 400 | D | 92.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 32.2 Ų | 32.2 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -61.2 | -37.9 | -178.3 | 169 | 67.8 | 0 | 0 | 0 | 112.5 | K280 H283 S395 I396 A404 | K280-D400 IonicContact NZ-OD1 3.15Å; K280-D400 PolarHBondContact NZ-OD1 3.18Å; K280-D400 IonicContact NZ-OD2 3.72Å; K280-D400 PolarHBondContact NZ-OD2 2.91Å; H283-D400 IonicContact CD2-OD2 2.8Å; S395-D400 PolarHBondContact O-N 3.5Å; I396-D400 WeakPolarHBondContact O-CB 3.5Å; D400-A404 WeakPolarHBondContact O-CB 3.47Å; D400-A404 PolarHBondContact O-N 2.8Å |
| 401 | S | 91.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.6 | -48.3 | 175.9 | -62.3 | 0 | 0 | 0 | 0 | 112.7 | A397 V398 G399 A404 L405 | A397-S401 WeakPolarHBondContact O-CB 3.35Å; A397-S401 PolarHBondContact O-OG 2.96Å; V398-S401 PolarHBondContact O-N 3.38Å; G399-S401 VanDerWaalsContact C-N 3.33Å; G399-S401 PolarHBondContact O-N 2.99Å; S401-A404 PolarHBondContact O-N 3.27Å; S401-L405 VanDerWaalsContact O-CB 3.31Å; S401-L405 WeakPolarHBondContact O-CB 3.38Å; S401-L405 PolarHBondContact O-N 3.43Å |
| 402 | F | 93 | Very high | 92 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73 | -33.7 | 179.6 | -84.8 | -91.2 | 0 | 0 | 0 | 112.2 | V398 G399 A404 L405 I406 S431 | V398-F402 HydrophobicContact CG1-CD2 4.25Å; V398-F402 WeakPolarHBondContact O-CD2 3.47Å; V398-F402 PolarHBondContact O-N 3Å; G399-F402 PolarHBondContact O-N 2.97Å; F402-A404 VanDerWaalsContact C-N 3.34Å; F402-L405 PolarHBondContact O-N 2.88Å; F402-I406 HydrophobicContact CD1-CD1 4.19Å; F402-I406 WeakPolarHBondContact O-CB 3.38Å; F402-I406 PolarHBondContact O-N 3.49Å; F402-S431 WeakPolarHBondContact CB-OG 3.49Å |
| 403 | A | 93.2 | Very high | 91.7 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G399 G407 G424 | G399-A403 VanDerWaalsContact O-CB 3.3Å; G399-A403 WeakPolarHBondContact O-CB 3.31Å; G399-A403 PolarHBondContact O-N 2.89Å; A403-G407 WeakPolarHBondContact O-CA 3.31Å; A403-G407 PolarHBondContact O-N 2.97Å; A403-G424 WeakPolarHBondContact CA-O 3.5Å |
| 404 | A | 88.4 | Confident | 91.4 | Very high | 16 Ų | 16 | 54.5 Ų | 54.5 | 13% | 0.132 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -47.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F276 K280 D400 S401 F402 R408 | F276-A404 HydrophobicContact CE1-CB 4.18Å; F276-A404 HydrophobicContact CZ-CB 3.71Å; K280-A404 HydrophobicContact CD-CB 4.18Å; K280-A404 HydrophobicContact CG-CB 4.39Å; D400-A404 WeakPolarHBondContact O-CB 3.47Å; D400-A404 PolarHBondContact O-N 2.8Å; S401-A404 PolarHBondContact O-N 3.27Å; F402-A404 VanDerWaalsContact C-N 3.34Å; A404-R408 VanDerWaalsContact O-CB 3.24Å; A404-R408 WeakPolarHBondContact O-CB 3.12Å; A404-R408 WeakPolarHBondContact O-CG 3.42Å; A404-R408 PolarHBondContact O-N 2.9Å |
| 405 | L | 88.4 | Confident | 91.1 | Very high | 118 Ų | 118 | 56.6 Ų | 56.6 | 62% | 0.618 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -64.2 | -52.5 | -176.2 | -176.8 | 66.7 | 0 | 0 | 0 | 111.9 | S401 F402 A409 | S401-L405 VanDerWaalsContact O-CB 3.31Å; S401-L405 WeakPolarHBondContact O-CB 3.38Å; S401-L405 PolarHBondContact O-N 3.43Å; F402-L405 PolarHBondContact O-N 2.88Å; L405-A409 WeakPolarHBondContact O-CB 3.38Å; L405-A409 PolarHBondContact O-N 3.32Å |
| 406 | I | 91.2 | Very high | 90.8 | Very high | 53 Ų | 53 | 60.8 Ų | 60.8 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -85.6 | -40.7 | -174.8 | -61.4 | -180 | 0 | 0 | 0 | 110.8 | F402 R408 A409 Y410 L423 A427 | F402-I406 HydrophobicContact CD1-CD1 4.19Å; F402-I406 WeakPolarHBondContact O-CB 3.38Å; F402-I406 PolarHBondContact O-N 3.49Å; I406-R408 PolarHBondContact O-N 3.03Å; I406-A409 PolarHBondContact O-N 2.86Å; I406-Y410 HydrophobicContact CG2-CD2 4.33Å; I406-Y410 PolarHBondContact O-N 3.3Å; I406-L423 HydrophobicContact CG2-CD2 4.09Å; I406-L423 HydrophobicContact CG2-CG 3.98Å; I406-A427 HydrophobicContact CB-CB 3.76Å; I406-A427 HydrophobicContact CD1-CB 3.69Å; I406-A427 HydrophobicContact CG1-CB 4.18Å; I406-A427 HydrophobicContact CG2-CB 4Å |
| 407 | G | 88.7 | Confident | 90.4 | Very high | 5 Ų | 5 | 65.1 Ų | 65.1 | 5% | 0.052 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -34.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | A403 G411 T421 | A403-G407 WeakPolarHBondContact O-CA 3.31Å; A403-G407 PolarHBondContact O-N 2.97Å; G407-G411 WeakPolarHBondContact O-CA 3.22Å; G407-G411 PolarHBondContact O-N 2.76Å; G407-T421 WeakPolarHBondContact CA-OG1 3.45Å; G407-T421 PolarHBondContact O-OG1 3.15Å |
| 408 | R | 82.2 | Confident | 90 | Very high | 96 Ų | 96 | 65.8 Ų | 65.8 | 36% | 0.362 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -78.3 | -43.8 | 172.2 | -73.1 | -176.3 | 153.8 | -151.8 | -7.6 | 112.7 | F276 A404 I406 Y410 | F276-R408 VanDerWaalsContact CE2-CZ 3.5Å; A404-R408 VanDerWaalsContact O-CB 3.24Å; A404-R408 WeakPolarHBondContact O-CB 3.12Å; A404-R408 WeakPolarHBondContact O-CG 3.42Å; A404-R408 PolarHBondContact O-N 2.9Å; I406-R408 PolarHBondContact O-N 3.03Å; R408-Y410 VanDerWaalsContact C-N 3.34Å; R408-Y410 PolarHBondContact O-N 2.93Å |
| 409 | A | 84.4 | Confident | 89.4 | Confident | 62 Ų | 62 | 68.7 Ų | 68.7 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68.2 | -33.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L405 I406 | L405-A409 WeakPolarHBondContact O-CB 3.38Å; L405-A409 PolarHBondContact O-N 3.32Å; I406-A409 PolarHBondContact O-N 2.86Å |
| 410 | Y | 89.3 | Confident | 89.1 | Confident | 170 Ų | 170 | 71.1 Ų | 71.1 | 67% | 0.667 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -134.8 | -7.1 | -169.4 | -54.2 | -68.8 | 0 | 0 | 0 | 114.5 | I406 R408 K412 L423 | I406-Y410 HydrophobicContact CG2-CD2 4.33Å; I406-Y410 PolarHBondContact O-N 3.3Å; R408-Y410 VanDerWaalsContact C-N 3.34Å; R408-Y410 PolarHBondContact O-N 2.93Å; Y410-K412 PolarHBondContact O-N 3.08Å; Y410-L423 WeakPolarHBondContact O-CD2 3.41Å |
| 411 | G | 87.7 | Confident | 89.1 | Confident | 7 Ų | 7 | 71.6 Ų | 71.6 | 7% | 0.072 | 37% | 0.366 | C | S | . | . | trans | -80.3 | 101.5 | -174 | 0 | 0 | 0 | 0 | 0 | 112.9 | G407 T421 | G407-G411 WeakPolarHBondContact O-CA 3.22Å; G407-G411 PolarHBondContact O-N 2.76Å; G411-T421 VanDerWaalsContact O-CG2 3.27Å; G411-T421 WeakPolarHBondContact O-CG2 3.21Å | ||
| 412 | K | 88.6 | Confident | 89.3 | Confident | 193 Ų | 193 | 73.9 Ų | 73.9 | 84% | 0.839 | 37% | 0.373 | S | S | * | . | trans | -93.4 | -34.3 | 177.5 | -59.1 | -173.6 | 180 | -174.5 | 0 | 114 | Y410 | Y410-K412 PolarHBondContact O-N 3.08Š| ||
| 413 | R | 91.3 | Very high | 89.4 | Confident | 192 Ų | 192 | 73.3 Ų | 73.3 | 73% | 0.725 | 37% | 0.374 | S | S | * | . | trans | -92.1 | 115.3 | -177 | -165.3 | -179.1 | 179 | 168.1 | -0.6 | 110.2 | T421 F422 | R413-T421 WeakPolarHBondContact O-CA 3.3Å; R413-F422 HydrophobicContact CB-CD2 4.22Å; R413-F422 HydrophobicContact CG-CD2 3.78Å; R413-F422 HydrophobicContact CG-CE2 4.15Å; R413-F422 PolarHBondContact O-N 3.02Å | ||
| 414 | R | 90.7 | Very high | 89.5 | Confident | 84 Ų | 84 | 72.8 Ų | 72.8 | 32% | 0.317 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 150.7 | 178.2 | -64.4 | 176.5 | -179.1 | 132.8 | -3.6 | 111.7 | S243 E247 R420 T421 F422 | S243-R414 PolarHBondContact OG-NH2 3.43Å; S243-R414 VanDerWaalsContact OG-NH2 3.13Å; E247-R414 IonicContact OE1-CZ 3.52Å; E247-R414 IonicContact OE1-NH1 3.58Å; E247-R414 PolarHBondContact OE1-NH1 2.98Å; E247-R414 IonicContact OE1-NH2 3.85Å; E247-R414 PolarHBondContact OE1-NH2 2.97Å; E247-R414 IonicContact OE2-NH2 3.59Å; R414-R420 CarbonylContact C-O 3.57Å; R414-R420 WeakPolarHBondContact CA-O 3.3Å; R414-T421 HydrophobicContact CG-CG2 4.1Å; R414-F422 VanDerWaalsContact O-CE2 3.25Å; R414-F422 WeakPolarHBondContact O-CE2 3.17Å |
| 415 | W | 92.5 | Very high | 89.9 | Confident | 44 Ų | 44 | 72.8 Ų | 72.8 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 144 | 169.9 | -74.1 | 96.2 | 0 | 0 | 0 | 109.7 | G417 S418 R420 F422 S425 L459 A462 Y463 | W415-G417 PolarHBondContact O-N 2.92Å; W415-S418 PolarHBondContact O-N 3.47Å; W415-R420 PolarHBondContact N-O 3.16Å; W415-F422 AromaticContact CD2-CD1 3.79Å; W415-F422 HydrophobicContact CD2-CD1 3.79Å; W415-F422 AromaticContact CD2-CE1 3.49Å; W415-F422 HydrophobicContact CD2-CE1 3.49Å; W415-F422 VanDerWaalsContact CD2-CE1 3.49Å; W415-F422 HydrophobicContact CD2-CE2 4.29Å; W415-F422 HydrophobicContact CD2-CG 4.33Å; W415-F422 AromaticContact CD2-CZ 3.76Å; W415-F422 HydrophobicContact CD2-CZ 3.76Å; W415-F422 AromaticContact CE2-CD1 3.5Å; W415-F422 AromaticContact CE2-CE1 3.66Å; W415-F422 HydrophobicContact CE3-CD1 4.04Å; W415-F422 AromaticContact CE3-CE1 3.28Å; W415-F422 HydrophobicContact CE3-CE1 3.28Å; W415-F422 HydrophobicContact CE3-CE2 4.42Å; W415-F422 AromaticContact CE3-CZ 3.5Å; W415-F422 HydrophobicContact CE3-CZ 3.5Å; W415-F422 HydrophobicContact CG-CD1 4.5Å; W415-F422 HydrophobicContact CG-CE1 4.37Å; W415-F422 HydrophobicContact CG-CE2 4.4Å; W415-F422 HydrophobicContact CG-CZ 4.31Å; W415-F422 AromaticContact CH2-CD1 3.78Å; W415-F422 HydrophobicContact CH2-CD1 3.78Å; W415-F422 AromaticContact CH2-CE1 3.45Å; W415-F422 HydrophobicContact CH2-CE1 3.45Å; W415-F422 VanDerWaalsContact CH2-CE1 3.45Å; W415-F422 HydrophobicContact CH2-CZ 4.47Å; W415-F422 AromaticContact CZ2-CD1 3.51Å; W415-F422 HydrophobicContact CZ2-CD1 3.51Å; W415-F422 AromaticContact CZ2-CE1 3.65Å; W415-F422 HydrophobicContact CZ2-CE1 3.65Å; W415-F422 HydrophobicContact CZ2-CG 4.48Å; W415-F422 HydrophobicContact CZ3-CD1 4.04Å; W415-F422 AromaticContact CZ3-CE1 3.27Å; W415-F422 HydrophobicContact CZ3-CE1 3.27Å; W415-F422 AromaticContact CZ3-CZ 3.9Å; W415-F422 HydrophobicContact CZ3-CZ 3.9Å; W415-S425 PolarHBondContact NE1-OG 3.28Å; W415-L459 HydrophobicContact CH2-CD2 3.94Å; W415-L459 HydrophobicContact CZ2-CD2 4.46Å; W415-A462 HydrophobicContact CD2-CB 4.07Å; W415-A462 HydrophobicContact CG-CB 3.99Å; W415-Y463 HydrophobicContact CE3-CE2 4.25Å |
| 416 | P | 91.5 | Very high | 90.3 | Very high | 91 Ų | 91 | 73.1 Ų | 73.1 | 59% | 0.591 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 123.4 | 179.8 | -23.2 | 33.2 | 0 | 0 | 0 | 111.6 | S418 Y463 | P416-S418 VanDerWaalsContact C-N 3.26Å; P416-S418 PolarHBondContact O-N 3.21Å; P416-Y463 WeakPolarHBondContact O-CE1 3.22Å |
| 417 | G | 86.6 | Confident | 90.6 | Very high | 94 Ų | 94 | 71 Ų | 71 | 97% | 0.969 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 13.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | W415 | W415-G417 PolarHBondContact O-N 2.92Š|
| 418 | S | 86.5 | Confident | 91 | Very high | 18 Ų | 18 | 70.8 Ų | 70.8 | 13% | 0.126 | 35% | 0.354 | C | S | . | . | trans | -131.2 | 150.2 | 178.3 | 169.1 | 0 | 0 | 0 | 0 | 111.6 | W415 P416 R420 A462 | W415-S418 PolarHBondContact O-N 3.47Å; P416-S418 VanDerWaalsContact C-N 3.26Å; P416-S418 PolarHBondContact O-N 3.21Å; S418-R420 VanDerWaalsContact C-N 3.25Å; S418-R420 WeakPolarHBondContact OG-CB 3.14Å; S418-R420 PolarHBondContact OG-N 2.97Å; S418-A462 WeakPolarHBondContact CB-O 3.22Å; S418-A462 PolarHBondContact OG-O 2.97Å | ||
| 419 | H | 83.3 | Confident | 91.8 | Very high | 75 Ų | 75 | 68.4 Ų | 68.4 | 35% | 0.347 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -78.6 | -9.8 | 173.5 | 66.9 | -83.1 | 0 | 0 | 0 | 112.7 | ||
| 420 | R | 89 | Confident | 92.5 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | trans | -79.4 | 146.9 | -178.8 | -56 | -63.7 | -172.9 | 160.6 | 3.2 | 111.3 | R414 W415 S418 D468 | R414-R420 CarbonylContact C-O 3.57Å; R414-R420 WeakPolarHBondContact CA-O 3.3Å; W415-R420 PolarHBondContact N-O 3.16Å; S418-R420 VanDerWaalsContact C-N 3.25Å; S418-R420 WeakPolarHBondContact OG-CB 3.14Å; S418-R420 PolarHBondContact OG-N 2.97Å; R420-D468 IonicContact NH2-OD2 3.54Å; R420-D468 PolarHBondContact NH2-OD2 3.18Å | ||
| 421 | T | 92.9 | Very high | 92.9 | Very high | 15 Ų | 15 | 63.2 Ų | 63.2 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -99.1 | 144.3 | -177.1 | 65.2 | 0 | 0 | 0 | 0 | 112 | G407 G411 R413 R414 L423 G424 S425 | G407-T421 WeakPolarHBondContact CA-OG1 3.45Å; G407-T421 PolarHBondContact O-OG1 3.15Å; G411-T421 VanDerWaalsContact O-CG2 3.27Å; G411-T421 WeakPolarHBondContact O-CG2 3.21Å; R413-T421 WeakPolarHBondContact O-CA 3.3Å; R414-T421 HydrophobicContact CG-CG2 4.1Å; T421-L423 VanDerWaalsContact C-N 3.25Å; T421-L423 PolarHBondContact O-N 3.44Å; T421-G424 PolarHBondContact O-N 3.48Å; T421-G424 PolarHBondContact OG1-N 3.37Å; T421-G424 VanDerWaalsContact OG1-N 3.13Å; T421-S425 PolarHBondContact O-N 2.88Å; T421-S425 PolarHBondContact O-OG 2.92Å |
| 422 | F | 95.4 | Very high | 93.4 | Very high | 68 Ų | 68 | 63 Ų | 63 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.6 | -40.9 | 175 | -80.2 | -82 | 0 | 0 | 0 | 111.7 | R413 R414 W415 S425 F426 | R413-F422 HydrophobicContact CB-CD2 4.22Å; R413-F422 HydrophobicContact CG-CD2 3.78Å; R413-F422 HydrophobicContact CG-CE2 4.15Å; R413-F422 PolarHBondContact O-N 3.02Å; R414-F422 VanDerWaalsContact O-CE2 3.25Å; R414-F422 WeakPolarHBondContact O-CE2 3.17Å; W415-F422 AromaticContact CD2-CD1 3.79Å; W415-F422 HydrophobicContact CD2-CD1 3.79Å; W415-F422 AromaticContact CD2-CE1 3.49Å; W415-F422 HydrophobicContact CD2-CE1 3.49Å; W415-F422 VanDerWaalsContact CD2-CE1 3.49Å; W415-F422 HydrophobicContact CD2-CE2 4.29Å; W415-F422 HydrophobicContact CD2-CG 4.33Å; W415-F422 AromaticContact CD2-CZ 3.76Å; W415-F422 HydrophobicContact CD2-CZ 3.76Å; W415-F422 AromaticContact CE2-CD1 3.5Å; W415-F422 AromaticContact CE2-CE1 3.66Å; W415-F422 HydrophobicContact CE3-CD1 4.04Å; W415-F422 AromaticContact CE3-CE1 3.28Å; W415-F422 HydrophobicContact CE3-CE1 3.28Å; W415-F422 HydrophobicContact CE3-CE2 4.42Å; W415-F422 AromaticContact CE3-CZ 3.5Å; W415-F422 HydrophobicContact CE3-CZ 3.5Å; W415-F422 HydrophobicContact CG-CD1 4.5Å; W415-F422 HydrophobicContact CG-CE1 4.37Å; W415-F422 HydrophobicContact CG-CE2 4.4Å; W415-F422 HydrophobicContact CG-CZ 4.31Å; W415-F422 AromaticContact CH2-CD1 3.78Å; W415-F422 HydrophobicContact CH2-CD1 3.78Å; W415-F422 AromaticContact CH2-CE1 3.45Å; W415-F422 HydrophobicContact CH2-CE1 3.45Å; W415-F422 VanDerWaalsContact CH2-CE1 3.45Å; W415-F422 HydrophobicContact CH2-CZ 4.47Å; W415-F422 AromaticContact CZ2-CD1 3.51Å; W415-F422 HydrophobicContact CZ2-CD1 3.51Å; W415-F422 AromaticContact CZ2-CE1 3.65Å; W415-F422 HydrophobicContact CZ2-CE1 3.65Å; W415-F422 HydrophobicContact CZ2-CG 4.48Å; W415-F422 HydrophobicContact CZ3-CD1 4.04Å; W415-F422 AromaticContact CZ3-CE1 3.27Å; W415-F422 HydrophobicContact CZ3-CE1 3.27Å; W415-F422 AromaticContact CZ3-CZ 3.9Å; W415-F422 HydrophobicContact CZ3-CZ 3.9Å; F422-S425 PolarHBondContact O-N 3.23Å; F422-F426 WeakPolarHBondContact O-CB 3.38Å; F422-F426 PolarHBondContact O-N 3.06Å |
| 423 | L | 95.5 | Very high | 93.8 | Very high | 72 Ų | 72 | 55 Ų | 55 | 38% | 0.377 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 178.6 | -172.9 | 65.7 | 0 | 0 | 0 | 111.8 | I406 Y410 T421 F426 A427 | I406-L423 HydrophobicContact CG2-CD2 4.09Å; I406-L423 HydrophobicContact CG2-CG 3.98Å; Y410-L423 WeakPolarHBondContact O-CD2 3.41Å; T421-L423 VanDerWaalsContact C-N 3.25Å; T421-L423 PolarHBondContact O-N 3.44Å; L423-F426 PolarHBondContact O-N 3.44Å; L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.3Å |
| 424 | G | 95.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A403 T421 F426 A427 S428 | A403-G424 WeakPolarHBondContact CA-O 3.5Å; T421-G424 PolarHBondContact O-N 3.48Å; T421-G424 PolarHBondContact OG1-N 3.37Å; T421-G424 VanDerWaalsContact OG1-N 3.13Å; G424-F426 PolarHBondContact O-N 3.47Å; G424-A427 PolarHBondContact O-N 3.1Å; G424-S428 WeakPolarHBondContact O-CB 3.3Å; G424-S428 PolarHBondContact O-N 3.29Å |
| 425 | S | 96.9 | Very high | 94.5 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 11% | 0.105 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 174.6 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | W415 T421 F422 S428 F429 V458 | W415-S425 PolarHBondContact NE1-OG 3.28Å; T421-S425 PolarHBondContact O-N 2.88Å; T421-S425 PolarHBondContact O-OG 2.92Å; F422-S425 PolarHBondContact O-N 3.23Å; S425-S428 WeakPolarHBondContact O-CB 3.43Å; S425-S428 PolarHBondContact O-N 2.9Å; S425-F429 PolarHBondContact O-N 2.63Å; S425-V458 WeakPolarHBondContact O-CG1 3.08Å |
| 426 | F | 97.5 | Very high | 94.8 | Very high | 125 Ų | 125 | 46.4 Ų | 46.4 | 55% | 0.548 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 176.3 | -178.6 | -98.4 | 0 | 0 | 0 | 112 | F422 L423 G424 S428 F429 F430 | F422-F426 WeakPolarHBondContact O-CB 3.38Å; F422-F426 PolarHBondContact O-N 3.06Å; L423-F426 PolarHBondContact O-N 3.44Å; G424-F426 PolarHBondContact O-N 3.47Å; F426-S428 PolarHBondContact O-N 3.49Å; F426-F429 PolarHBondContact O-N 3.48Å; F426-F430 HydrophobicContact CZ-CD2 4.4Å; F426-F430 WeakPolarHBondContact O-CB 3.41Å; F426-F430 PolarHBondContact O-N 3.03Å |
| 427 | A | 97.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -43.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I406 L423 G424 S431 | I406-A427 HydrophobicContact CB-CB 3.76Å; I406-A427 HydrophobicContact CD1-CB 3.69Å; I406-A427 HydrophobicContact CG1-CB 4.18Å; I406-A427 HydrophobicContact CG2-CB 4Å; L423-A427 WeakPolarHBondContact O-CB 3.44Å; L423-A427 PolarHBondContact O-N 3.3Å; G424-A427 PolarHBondContact O-N 3.1Å; A427-S431 VanDerWaalsContact O-CB 3.3Å; A427-S431 WeakPolarHBondContact O-CB 3.43Å; A427-S431 PolarHBondContact O-N 3.24Å; A427-S431 PolarHBondContact O-OG 3.45Å |
| 428 | S | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -51.6 | 174.2 | -173.4 | 0 | 0 | 0 | 0 | 111.2 | G399 G424 S425 F426 S431 Q432 | G399-S428 VanDerWaalsContact C-OG 3.29Å; G399-S428 WeakPolarHBondContact CA-OG 3.12Å; G399-S428 PolarHBondContact O-OG 2.86Å; G424-S428 WeakPolarHBondContact O-CB 3.3Å; G424-S428 PolarHBondContact O-N 3.29Å; S425-S428 WeakPolarHBondContact O-CB 3.43Å; S425-S428 PolarHBondContact O-N 2.9Å; F426-S428 PolarHBondContact O-N 3.49Å; S428-S431 PolarHBondContact O-OG 3.12Å; S428-Q432 WeakPolarHBondContact O-CB 3.31Å; S428-Q432 WeakPolarHBondContact O-CG 3.44Å; S428-Q432 PolarHBondContact O-N 2.9Å; S428-Q432 VanDerWaalsContact O-N 3.11Å; S428-Q432 PolarHBondContact O-NE2 2.97Å; S428-Q432 VanDerWaalsContact O-NE2 3.15Å; S428-Q432 PolarHBondContact OG-NE2 3.1Å |
| 429 | F | 98.5 | Very high | 96.1 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 20% | 0.202 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.7 | -47.9 | -178.6 | -179.7 | -111.6 | 0 | 0 | 0 | 112.2 | S425 F426 Q432 I433 I451 L454 L455 V458 | S425-F429 PolarHBondContact O-N 2.63Å; F426-F429 PolarHBondContact O-N 3.48Å; F429-Q432 PolarHBondContact O-N 3.35Å; F429-I433 HydrophobicContact CD1-CG1 4.42Å; F429-I433 HydrophobicContact CD2-CG1 4.27Å; F429-I433 HydrophobicContact CE1-CG1 4.04Å; F429-I433 HydrophobicContact CE2-CD1 3.97Å; F429-I433 HydrophobicContact CE2-CG1 3.86Å; F429-I433 HydrophobicContact CZ-CD1 3.92Å; F429-I433 HydrophobicContact CZ-CG1 3.75Å; F429-I433 VanDerWaalsContact O-CG1 3.3Å; F429-I433 WeakPolarHBondContact O-CG1 3.47Å; F429-I433 PolarHBondContact O-N 3.44Å; F429-I451 HydrophobicContact CZ-CG2 4.39Å; F429-L454 HydrophobicContact CD2-CB 4.34Å; F429-L454 HydrophobicContact CE2-CB 4.26Å; F429-L455 HydrophobicContact CD2-CB 4.23Å; F429-L455 HydrophobicContact CD2-CD1 4.31Å; F429-L455 HydrophobicContact CE2-CB 3.7Å; F429-L455 HydrophobicContact CE2-CD1 4.23Å; F429-L455 HydrophobicContact CZ-CB 4.35Å; F429-L455 HydrophobicContact CZ-CD1 4.5Å; F429-V458 HydrophobicContact CB-CG1 4.49Å; F429-V458 HydrophobicContact CB-CG2 4.09Å |
| 430 | F | 98.1 | Very high | 96.8 | Very high | 115 Ų | 115 | 41.2 Ų | 41.2 | 50% | 0.504 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.2 | -41.9 | -175.2 | -159.2 | -97.9 | 0 | 0 | 0 | 112.3 | F426 I433 I434 | F426-F430 HydrophobicContact CZ-CD2 4.4Å; F426-F430 WeakPolarHBondContact O-CB 3.41Å; F426-F430 PolarHBondContact O-N 3.03Å; F430-I433 PolarHBondContact O-N 3.16Å; F430-I434 HydrophobicContact CD1-CD1 3.61Å; F430-I434 HydrophobicContact CD1-CG1 4.29Å; F430-I434 HydrophobicContact CE1-CD1 3.64Å; F430-I434 HydrophobicContact CE1-CG1 4.24Å; F430-I434 WeakPolarHBondContact O-CG1 3.41Å; F430-I434 PolarHBondContact O-N 3.43Å |
| 431 | S | 97.9 | Very high | 97.2 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.7 | -42.9 | 175.2 | 58.8 | 0 | 0 | 0 | 0 | 112 | F402 A427 S428 I433 I434 V435 | F402-S431 WeakPolarHBondContact CB-OG 3.49Å; A427-S431 VanDerWaalsContact O-CB 3.3Å; A427-S431 WeakPolarHBondContact O-CB 3.43Å; A427-S431 PolarHBondContact O-N 3.24Å; A427-S431 PolarHBondContact O-OG 3.45Å; S428-S431 PolarHBondContact O-OG 3.12Å; S431-I433 PolarHBondContact O-N 3Å; S431-I434 PolarHBondContact O-N 2.57Å; S431-V435 WeakPolarHBondContact O-CG2 3.38Å; S431-V435 PolarHBondContact O-N 3.2Å; S431-V435 VanDerWaalsContact O-N 3.09Å |
| 432 | Q | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 174.7 | -75.5 | 179.3 | 78.3 | 0 | 0 | 112.2 | L394 V398 S428 F429 V435 W436 L454 | L394-Q432 HydrophobicContact CB-CG 4.49Å; L394-Q432 WeakPolarHBondContact O-CG 3.14Å; L394-Q432 PolarHBondContact O-OE1 3.34Å; V398-Q432 HydrophobicContact CB-CG 4.34Å; V398-Q432 HydrophobicContact CG1-CG 4.21Å; S428-Q432 WeakPolarHBondContact O-CB 3.31Å; S428-Q432 WeakPolarHBondContact O-CG 3.44Å; S428-Q432 PolarHBondContact O-N 2.9Å; S428-Q432 VanDerWaalsContact O-N 3.11Å; S428-Q432 PolarHBondContact O-NE2 2.97Å; S428-Q432 VanDerWaalsContact O-NE2 3.15Å; S428-Q432 PolarHBondContact OG-NE2 3.1Å; F429-Q432 PolarHBondContact O-N 3.35Å; Q432-V435 PolarHBondContact O-N 3.36Å; Q432-W436 WeakPolarHBondContact O-CB 3.44Å; Q432-W436 PolarHBondContact O-N 3.3Å; Q432-L454 HydrophobicContact CB-CD1 4.1Å; Q432-L454 HydrophobicContact CB-CD2 4.27Å; Q432-L454 VanDerWaalsContact OE1-CD2 3.29Å |
| 433 | I | 98.2 | Very high | 97.3 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.128 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.5 | -69.9 | -69.9 | 0 | 0 | 0 | 111.9 | F429 F430 S431 T437 I451 L454 | F429-I433 HydrophobicContact CD1-CG1 4.42Å; F429-I433 HydrophobicContact CD2-CG1 4.27Å; F429-I433 HydrophobicContact CE1-CG1 4.04Å; F429-I433 HydrophobicContact CE2-CD1 3.97Å; F429-I433 HydrophobicContact CE2-CG1 3.86Å; F429-I433 HydrophobicContact CZ-CD1 3.92Å; F429-I433 HydrophobicContact CZ-CG1 3.75Å; F429-I433 VanDerWaalsContact O-CG1 3.3Å; F429-I433 WeakPolarHBondContact O-CG1 3.47Å; F429-I433 PolarHBondContact O-N 3.44Å; F430-I433 PolarHBondContact O-N 3.16Å; S431-I433 PolarHBondContact O-N 3Å; I433-T437 WeakPolarHBondContact O-CB 3.24Å; I433-T437 PolarHBondContact O-N 2.66Å; I433-T437 PolarHBondContact O-OG1 3.28Å; I433-I451 HydrophobicContact CD1-CG1 4.13Å; I433-L454 HydrophobicContact CD1-CD1 3.94Å |
| 434 | I | 98.2 | Very high | 97.3 | Very high | 92 Ų | 92 | 55 Ų | 55 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -53.2 | 176.5 | -69.5 | 163.8 | 0 | 0 | 0 | 110 | F430 S431 W436 T437 V438 | F430-I434 HydrophobicContact CD1-CD1 3.61Å; F430-I434 HydrophobicContact CD1-CG1 4.29Å; F430-I434 HydrophobicContact CE1-CD1 3.64Å; F430-I434 HydrophobicContact CE1-CG1 4.24Å; F430-I434 WeakPolarHBondContact O-CG1 3.41Å; F430-I434 PolarHBondContact O-N 3.43Å; S431-I434 PolarHBondContact O-N 2.57Å; I434-W436 VanDerWaalsContact C-N 3.34Å; I434-W436 PolarHBondContact O-N 3.45Å; I434-T437 WeakPolarHBondContact O-CB 3.44Å; I434-T437 PolarHBondContact O-N 2.62Å; I434-V438 PolarHBondContact O-N 3.36Å |
| 435 | V | 98 | Very high | 97.3 | Very high | 48 Ų | 48 | 57 Ų | 57 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | -178.5 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L394 V398 S431 Q432 T437 V438 I439 | L394-V435 HydrophobicContact CD2-CB 4.21Å; L394-V435 HydrophobicContact CD2-CG1 4Å; V398-V435 HydrophobicContact CG1-CB 4.4Å; V398-V435 HydrophobicContact CG1-CG2 3.86Å; V398-V435 HydrophobicContact CG2-CB 4.3Å; V398-V435 HydrophobicContact CG2-CG1 4.15Å; V398-V435 HydrophobicContact CG2-CG2 4Å; S431-V435 WeakPolarHBondContact O-CG2 3.38Å; S431-V435 PolarHBondContact O-N 3.2Å; S431-V435 VanDerWaalsContact O-N 3.09Å; Q432-V435 PolarHBondContact O-N 3.36Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 3.46Å; V435-V438 PolarHBondContact O-N 2.92Å; V435-I439 HydrophobicContact CG1-CD1 3.72Å; V435-I439 HydrophobicContact CG1-CG1 4.4Å; V435-I439 WeakPolarHBondContact O-CG1 3.09Å; V435-I439 PolarHBondContact O-N 3.37Å |
| 436 | W | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 175.7 | 172.7 | -109.2 | 0 | 0 | 0 | 112.9 | P387 L394 Q432 I434 V438 I439 S440 W445 W447 T449 G450 L454 F480 | P387-W436 HydrophobicContact CB-CH2 3.63Å; P387-W436 HydrophobicContact CB-CZ3 4.27Å; P387-W436 HydrophobicContact CG-CH2 4.14Å; L394-W436 HydrophobicContact CD1-CE3 3.78Å; L394-W436 HydrophobicContact CD2-CB 4.12Å; Q432-W436 WeakPolarHBondContact O-CB 3.44Å; Q432-W436 PolarHBondContact O-N 3.3Å; I434-W436 VanDerWaalsContact C-N 3.34Å; I434-W436 PolarHBondContact O-N 3.45Å; W436-V438 VanDerWaalsContact C-N 3.31Å; W436-V438 PolarHBondContact O-N 3.46Å; W436-I439 HydrophobicContact CE3-CB 4.44Å; W436-I439 HydrophobicContact CE3-CG2 4.33Å; W436-I439 HydrophobicContact CZ3-CG2 4.19Å; W436-I439 PolarHBondContact O-N 3.08Å; W436-S440 WeakPolarHBondContact CZ2-OG 3.44Å; W436-S440 PolarHBondContact NE1-OG 2.72Å; W436-S440 VanDerWaalsContact NE1-OG 3.16Å; W436-S440 VanDerWaalsContact O-CB 3.25Å; W436-S440 WeakPolarHBondContact O-CB 3.04Å; W436-S440 PolarHBondContact O-N 3.13Å; W436-S440 PolarHBondContact O-OG 3.19Å; W436-W445 AromaticContact CH2-CE3 3.58Å; W436-W445 HydrophobicContact CH2-CE3 3.58Å; W436-W445 HydrophobicContact CH2-CZ3 4.05Å; W436-W445 HydrophobicContact CZ3-CE3 4Å; W436-W445 HydrophobicContact CZ3-CZ3 4.07Å; W436-W447 PolarHBondContact NE1-O 2.95Å; W436-T449 WeakPolarHBondContact CZ2-OG1 3.48Å; W436-G450 VanDerWaalsContact NE1-CA 3.32Å; W436-L454 HydrophobicContact CB-CD1 3.88Å; W436-L454 HydrophobicContact CG-CD1 4.04Å; W436-F480 HydrophobicContact CD2-CE1 4.41Å; W436-F480 HydrophobicContact CD2-CZ 4.44Å; W436-F480 HydrophobicContact CE3-CE1 4.32Å; W436-F480 HydrophobicContact CE3-CZ 4.16Å; W436-F480 AromaticContact CH2-CE1 3.72Å; W436-F480 HydrophobicContact CH2-CE1 3.72Å; W436-F480 HydrophobicContact CH2-CZ 4.29Å; W436-F480 AromaticContact CZ2-CE1 3.8Å; W436-F480 HydrophobicContact CZ2-CE1 3.8Å; W436-F480 AromaticContact CZ3-CE1 3.98Å; W436-F480 HydrophobicContact CZ3-CE1 3.98Å; W436-F480 HydrophobicContact CZ3-CZ 4.07Å |
| 437 | T | 98.1 | Very high | 97.1 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 110.9 | I433 I434 V435 Y441 | I433-T437 WeakPolarHBondContact O-CB 3.24Å; I433-T437 PolarHBondContact O-N 2.66Å; I433-T437 PolarHBondContact O-OG1 3.28Å; I434-T437 WeakPolarHBondContact O-CB 3.44Å; I434-T437 PolarHBondContact O-N 2.62Å; V435-T437 VanDerWaalsContact C-N 3.31Å; V435-T437 PolarHBondContact O-N 3.46Å; T437-Y441 WeakPolarHBondContact O-CB 3.48Å; T437-Y441 PolarHBondContact O-N 2.92Å |
| 438 | V | 98 | Very high | 97 | Very high | 98 Ų | 98 | 64.9 Ų | 64.9 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.3 | -46.5 | 175.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | I434 V435 W436 Y441 Y442 | I434-V438 PolarHBondContact O-N 3.36Å; V435-V438 PolarHBondContact O-N 2.92Å; W436-V438 VanDerWaalsContact C-N 3.31Å; W436-V438 PolarHBondContact O-N 3.46Å; V438-Y441 PolarHBondContact O-N 3.23Å; V438-Y442 PolarHBondContact O-N 3.01Å |
| 439 | I | 97 | Very high | 96.9 | Very high | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 177.8 | -67.6 | 162.9 | 0 | 0 | 0 | 110.7 | W390 L394 V435 W436 Y441 Y442 Y443 W445 | W390-I439 HydrophobicContact CD2-CD1 3.79Å; W390-I439 HydrophobicContact CD2-CG1 4.38Å; W390-I439 HydrophobicContact CD2-CG2 3.98Å; W390-I439 HydrophobicContact CE3-CD1 3.42Å; W390-I439 VanDerWaalsContact CE3-CD1 3.42Å; W390-I439 HydrophobicContact CE3-CG1 4.23Å; W390-I439 HydrophobicContact CG-CD1 4.36Å; W390-I439 HydrophobicContact CG-CG2 4.09Å; W390-I439 HydrophobicContact CH2-CD1 4.38Å; W390-I439 HydrophobicContact CH2-CG1 4.39Å; W390-I439 HydrophobicContact CZ2-CG2 4.32Å; W390-I439 HydrophobicContact CZ3-CD1 3.75Å; W390-I439 HydrophobicContact CZ3-CG1 4.23Å; L394-I439 HydrophobicContact CD2-CD1 4.15Å; V435-I439 HydrophobicContact CG1-CD1 3.72Å; V435-I439 HydrophobicContact CG1-CG1 4.4Å; V435-I439 WeakPolarHBondContact O-CG1 3.09Å; V435-I439 PolarHBondContact O-N 3.37Å; W436-I439 HydrophobicContact CE3-CB 4.44Å; W436-I439 HydrophobicContact CE3-CG2 4.33Å; W436-I439 HydrophobicContact CZ3-CG2 4.19Å; W436-I439 PolarHBondContact O-N 3.08Å; I439-Y441 VanDerWaalsContact C-N 3.29Å; I439-Y441 PolarHBondContact O-N 3Å; I439-Y442 WeakPolarHBondContact O-CB 3.31Å; I439-Y442 PolarHBondContact O-N 3.32Å; I439-Y443 HydrophobicContact CG2-CD2 3.79Å; I439-Y443 HydrophobicContact CG2-CE2 4.01Å; I439-Y443 WeakPolarHBondContact O-CD2 3.29Å; I439-Y443 PolarHBondContact O-N 3.19Å; I439-W445 HydrophobicContact CG2-CZ3 4.12Å |
| 440 | S | 96.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.3 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | W436 Y443 S444 W445 | W436-S440 WeakPolarHBondContact CZ2-OG 3.44Å; W436-S440 PolarHBondContact NE1-OG 2.72Å; W436-S440 VanDerWaalsContact NE1-OG 3.16Å; W436-S440 VanDerWaalsContact O-CB 3.25Å; W436-S440 WeakPolarHBondContact O-CB 3.04Å; W436-S440 PolarHBondContact O-N 3.13Å; W436-S440 PolarHBondContact O-OG 3.19Å; S440-Y443 PolarHBondContact O-N 3.48Å; S440-S444 CarbonylContact O-C 3.6Å; S440-S444 WeakPolarHBondContact O-CA 3.45Å; S440-S444 PolarHBondContact O-N 2.7Å; S440-W445 PolarHBondContact O-N 2.67Å |
| 441 | Y | 97.3 | Very high | 96.7 | Very high | 197 Ų | 197 | 61.7 Ų | 61.7 | 77% | 0.773 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.9 | -46 | 175.3 | 178.5 | -101.3 | 0 | 0 | 0 | 111.6 | T437 V438 I439 Y443 S444 | T437-Y441 WeakPolarHBondContact O-CB 3.48Å; T437-Y441 PolarHBondContact O-N 2.92Å; V438-Y441 PolarHBondContact O-N 3.23Å; I439-Y441 VanDerWaalsContact C-N 3.29Å; I439-Y441 PolarHBondContact O-N 3Å; Y441-Y443 PolarHBondContact O-N 3.1Å; Y441-S444 PolarHBondContact O-N 2.98Å; Y441-S444 VanDerWaalsContact O-N 3.17Å |
| 442 | Y | 96.3 | Very high | 96.7 | Very high | 135 Ų | 135 | 66.5 Ų | 66.5 | 53% | 0.529 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.3 | -44.7 | 178.1 | 179.6 | -94.1 | 0 | 0 | 0 | 112.6 | L295 V438 I439 S444 | L295-Y442 HydrophobicContact CD2-CD1 3.84Å; L295-Y442 HydrophobicContact CD2-CE1 3.68Å; L295-Y442 HydrophobicContact CD2-CG 4.38Å; V438-Y442 PolarHBondContact O-N 3.01Å; I439-Y442 WeakPolarHBondContact O-CB 3.31Å; I439-Y442 PolarHBondContact O-N 3.32Å; Y442-S444 VanDerWaalsContact C-N 3.34Å |
| 443 | Y | 94.9 | Very high | 96.6 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 20% | 0.2 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.7 | 179.2 | -70.6 | -75.5 | 0 | 0 | 0 | 114.4 | L294 L295 V385 W390 I439 S440 Y441 W445 | L294-Y443 PolarHBondContact O-OH 3.31Å; L295-Y443 HydrophobicContact CD2-CE2 4.31Å; V385-Y443 HydrophobicContact CB-CE1 4.23Å; V385-Y443 HydrophobicContact CG1-CE1 4.31Å; W390-Y443 AromaticContact CE2-CE2 3.87Å; W390-Y443 AromaticContact CZ2-CE2 3.8Å; W390-Y443 HydrophobicContact CZ2-CE2 3.8Å; W390-Y443 AromaticContact NE1-CE2 3.46Å; I439-Y443 HydrophobicContact CG2-CD2 3.79Å; I439-Y443 HydrophobicContact CG2-CE2 4.01Å; I439-Y443 WeakPolarHBondContact O-CD2 3.29Å; I439-Y443 PolarHBondContact O-N 3.19Å; S440-Y443 PolarHBondContact O-N 3.48Å; Y441-Y443 PolarHBondContact O-N 3.1Å; Y443-W445 VanDerWaalsContact CB-CD2 3.49Å; Y443-W445 HydrophobicContact CD1-CH2 4.19Å; Y443-W445 AromaticContact CD1-CZ2 3.97Å; Y443-W445 HydrophobicContact CD1-CZ2 3.97Å; Y443-W445 HydrophobicContact CD2-CE3 4.22Å; Y443-W445 AromaticContact CD2-CH2 3.7Å; Y443-W445 HydrophobicContact CD2-CH2 3.7Å; Y443-W445 HydrophobicContact CD2-CZ2 4.2Å; Y443-W445 AromaticContact CD2-CZ3 3.71Å; Y443-W445 HydrophobicContact CD2-CZ3 3.71Å; Y443-W445 HydrophobicContact CE2-CH2 4.25Å; Y443-W445 HydrophobicContact CE2-CZ3 4.45Å; Y443-W445 HydrophobicContact CG-CD2 4.28Å; Y443-W445 AromaticContact CG-CE2 3.99Å; Y443-W445 HydrophobicContact CG-CE3 4.26Å; Y443-W445 AromaticContact CG-CH2 3.69Å; Y443-W445 HydrophobicContact CG-CH2 3.69Å; Y443-W445 AromaticContact CG-CZ2 3.69Å; Y443-W445 HydrophobicContact CG-CZ2 3.69Å; Y443-W445 AromaticContact CG-CZ3 3.99Å; Y443-W445 HydrophobicContact CG-CZ3 3.99Å; Y443-W445 PolarHBondContact O-N 3.13Å |
| 444 | S | 95.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 65.4 Ų | 65.4 | 80% | 0.797 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 31.3 | -173.9 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | S440 Y441 Y442 | S440-S444 CarbonylContact O-C 3.6Å; S440-S444 WeakPolarHBondContact O-CA 3.45Å; S440-S444 PolarHBondContact O-N 2.7Å; Y441-S444 PolarHBondContact O-N 2.98Å; Y441-S444 VanDerWaalsContact O-N 3.17Å; Y442-S444 VanDerWaalsContact C-N 3.34Å |
| 445 | W | 95.1 | Very high | 96.6 | Very high | 45 Ų | 45 | 64.5 Ų | 64.5 | 17% | 0.17 | 32% | 0.318 | C | S | . | . | trans | -86.6 | 154.4 | 173.2 | -60.1 | -25.3 | 0 | 0 | 0 | 111.7 | V385 P387 W436 I439 S440 Y443 W447 L483 | V385-W445 HydrophobicContact CG1-CH2 4.29Å; V385-W445 VanDerWaalsContact O-CZ2 3.27Å; V385-W445 WeakPolarHBondContact O-CZ2 3.44Å; P387-W445 HydrophobicContact CB-CE3 4.34Å; P387-W445 HydrophobicContact CB-CZ3 4.3Å; P387-W445 HydrophobicContact CG-CD2 3.84Å; P387-W445 HydrophobicContact CG-CE3 3.77Å; P387-W445 HydrophobicContact CG-CG 4.47Å; P387-W445 HydrophobicContact CG-CH2 4.26Å; P387-W445 HydrophobicContact CG-CZ2 4.33Å; P387-W445 HydrophobicContact CG-CZ3 3.98Å; P387-W445 VanDerWaalsContact N-CH2 3.33Å; W436-W445 AromaticContact CH2-CE3 3.58Å; W436-W445 HydrophobicContact CH2-CE3 3.58Å; W436-W445 HydrophobicContact CH2-CZ3 4.05Å; W436-W445 HydrophobicContact CZ3-CE3 4Å; W436-W445 HydrophobicContact CZ3-CZ3 4.07Å; I439-W445 HydrophobicContact CG2-CZ3 4.12Å; S440-W445 PolarHBondContact O-N 2.67Å; Y443-W445 VanDerWaalsContact CB-CD2 3.49Å; Y443-W445 HydrophobicContact CD1-CH2 4.19Å; Y443-W445 AromaticContact CD1-CZ2 3.97Å; Y443-W445 HydrophobicContact CD1-CZ2 3.97Å; Y443-W445 HydrophobicContact CD2-CE3 4.22Å; Y443-W445 AromaticContact CD2-CH2 3.7Å; Y443-W445 HydrophobicContact CD2-CH2 3.7Å; Y443-W445 HydrophobicContact CD2-CZ2 4.2Å; Y443-W445 AromaticContact CD2-CZ3 3.71Å; Y443-W445 HydrophobicContact CD2-CZ3 3.71Å; Y443-W445 HydrophobicContact CE2-CH2 4.25Å; Y443-W445 HydrophobicContact CE2-CZ3 4.45Å; Y443-W445 HydrophobicContact CG-CD2 4.28Å; Y443-W445 AromaticContact CG-CE2 3.99Å; Y443-W445 HydrophobicContact CG-CE3 4.26Å; Y443-W445 AromaticContact CG-CH2 3.69Å; Y443-W445 HydrophobicContact CG-CH2 3.69Å; Y443-W445 AromaticContact CG-CZ2 3.69Å; Y443-W445 HydrophobicContact CG-CZ2 3.69Å; Y443-W445 AromaticContact CG-CZ3 3.99Å; Y443-W445 HydrophobicContact CG-CZ3 3.99Å; Y443-W445 PolarHBondContact O-N 3.13Å; W445-W447 PolarHBondContact O-N 2.82Å; W445-L483 HydrophobicContact CB-CD1 4.45Å; W445-L483 VanDerWaalsContact CD1-CD1 3.46Å; W445-L483 HydrophobicContact CD2-CD1 4.15Å; W445-L483 HydrophobicContact CG-CD1 3.78Å | ||
| 446 | H | 95.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 64.5 Ų | 64.5 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | trans | -74.5 | 113.2 | 175 | -160.9 | -52 | 0 | 0 | 0 | 110.6 | L448 T449 | H446-L448 WeakPolarHBondContact CE1-CD1 3.4Å; H446-L448 WeakPolarHBondContact CE1-CG 3.34Å; H446-L448 WeakPolarHBondContact ND1-CB 3.46Å; H446-L448 PolarHBondContact ND1-N 3.45Å; H446-L448 PolarHBondContact O-N 3.47Å; H446-L448 VanDerWaalsContact O-N 3.12Å; H446-T449 HydrophobicContact CB-CG2 4.27Å; H446-T449 WeakPolarHBondContact O-CB 3.42Å; H446-T449 WeakPolarHBondContact O-CG2 3.04Å; H446-T449 PolarHBondContact O-N 3.06Å; H446-T449 PolarHBondContact O-OG1 3.25Å | ||
| 447 | W | 94.5 | Very high | 96.6 | Very high | 119 Ų | 119 | 64.6 Ų | 64.6 | 45% | 0.451 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -57.4 | -31.1 | -175 | 71.5 | -89.2 | 0 | 0 | 0 | 114.1 | W436 W445 T449 G450 I451 | W436-W447 PolarHBondContact NE1-O 2.95Å; W445-W447 PolarHBondContact O-N 2.82Å; W447-T449 PolarHBondContact O-N 2.95Å; W447-G450 PolarHBondContact O-N 3.26Å; W447-I451 HydrophobicContact CE3-CD1 4.4Å; W447-I451 HydrophobicContact CH2-CD1 4.23Å; W447-I451 HydrophobicContact CZ3-CD1 3.71Å; W447-I451 HydrophobicContact CZ3-CG1 4.2Å |
| 448 | L | 95.6 | Very high | 96.5 | Very high | 84 Ų | 84 | 62.1 Ų | 62.1 | 44% | 0.44 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -53.8 | -26.2 | 173.8 | -67 | 177.6 | 0 | 0 | 0 | 114.1 | H446 G450 I451 | H446-L448 WeakPolarHBondContact CE1-CD1 3.4Å; H446-L448 WeakPolarHBondContact CE1-CG 3.34Å; H446-L448 WeakPolarHBondContact ND1-CB 3.46Å; H446-L448 PolarHBondContact ND1-N 3.45Å; H446-L448 PolarHBondContact O-N 3.47Å; H446-L448 VanDerWaalsContact O-N 3.12Å; L448-G450 PolarHBondContact O-N 3.29Å; L448-G450 VanDerWaalsContact O-N 3.15Å; L448-I451 HydrophobicContact CD2-CD1 3.47Å; L448-I451 VanDerWaalsContact CD2-CD1 3.47Å; L448-I451 PolarHBondContact O-N 2.94Å |
| 449 | T | 94.9 | Very high | 96.5 | Very high | 40 Ų | 40 | 61 Ų | 61 | 25% | 0.245 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -64.2 | -18.5 | -178.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | W436 H446 W447 P453 | W436-T449 WeakPolarHBondContact CZ2-OG1 3.48Å; H446-T449 HydrophobicContact CB-CG2 4.27Å; H446-T449 WeakPolarHBondContact O-CB 3.42Å; H446-T449 WeakPolarHBondContact O-CG2 3.04Å; H446-T449 PolarHBondContact O-N 3.06Å; H446-T449 PolarHBondContact O-OG1 3.25Å; W447-T449 PolarHBondContact O-N 2.95Å; T449-P453 VanDerWaalsContact O-CD 3.28Å; T449-P453 WeakPolarHBondContact O-CD 3.35Å; T449-P453 WeakPolarHBondContact O-CG 3.34Å |
| 450 | G | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -90.5 | -14.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | W436 W447 L448 I452 P453 L454 | W436-G450 VanDerWaalsContact NE1-CA 3.32Å; W447-G450 PolarHBondContact O-N 3.26Å; L448-G450 PolarHBondContact O-N 3.29Å; L448-G450 VanDerWaalsContact O-N 3.15Å; G450-I452 PolarHBondContact O-N 3.45Å; G450-P453 WeakPolarHBondContact O-CD 3.38Å; G450-L454 VanDerWaalsContact O-CB 3.28Å; G450-L454 WeakPolarHBondContact O-CB 3.19Å; G450-L454 WeakPolarHBondContact O-CD1 3.48Å; G450-L454 WeakPolarHBondContact O-CG 3.39Å; G450-L454 PolarHBondContact O-N 3.44Å; G450-L454 VanDerWaalsContact O-N 3.09Å |
| 451 | I | 97 | Very high | 96.3 | Very high | 55 Ų | 55 | 63.4 Ų | 63.4 | 28% | 0.282 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -55.3 | -175 | -65.1 | 179.1 | 0 | 0 | 0 | 111.5 | F429 I433 W447 L448 L455 | F429-I451 HydrophobicContact CZ-CG2 4.39Å; I433-I451 HydrophobicContact CD1-CG1 4.13Å; W447-I451 HydrophobicContact CE3-CD1 4.4Å; W447-I451 HydrophobicContact CH2-CD1 4.23Å; W447-I451 HydrophobicContact CZ3-CD1 3.71Å; W447-I451 HydrophobicContact CZ3-CG1 4.2Å; L448-I451 HydrophobicContact CD2-CD1 3.47Å; L448-I451 VanDerWaalsContact CD2-CD1 3.47Å; L448-I451 PolarHBondContact O-N 2.94Å; I451-L455 VanDerWaalsContact O-CB 3.22Å; I451-L455 WeakPolarHBondContact O-CB 2.91Å; I451-L455 PolarHBondContact O-N 2.89Å |
| 452 | I | 97.1 | Very high | 96.1 | Very high | 108 Ų | 108 | 54 Ų | 54 | 55% | 0.554 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.6 | -49.3 | -176.1 | -65 | 171.2 | 0 | 0 | 0 | 111.5 | G450 L454 L455 I456 M479 | G450-I452 PolarHBondContact O-N 3.45Å; I452-L454 PolarHBondContact O-N 3.19Å; I452-L455 PolarHBondContact O-N 3.37Å; I452-I456 HydrophobicContact CG2-CD1 3.59Å; I452-I456 HydrophobicContact CG2-CG1 4.41Å; I452-I456 WeakPolarHBondContact O-CB 3.43Å; I452-I456 WeakPolarHBondContact O-CG1 3.15Å; I452-I456 PolarHBondContact O-N 3.02Å; I452-M479 HydrophobicContact CG2-CE 4.39Å |
| 453 | P | 97.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.3 | -46.5 | 178.2 | -25.9 | 33.4 | 0 | 0 | 0 | 113.8 | T449 G450 I456 G457 V476 M479 F480 | T449-P453 VanDerWaalsContact O-CD 3.28Å; T449-P453 WeakPolarHBondContact O-CD 3.35Å; T449-P453 WeakPolarHBondContact O-CG 3.34Å; G450-P453 WeakPolarHBondContact O-CD 3.38Å; P453-I456 PolarHBondContact O-N 3.02Å; P453-G457 PolarHBondContact O-N 3.38Å; P453-V476 HydrophobicContact CB-CG1 4.27Å; P453-M479 HydrophobicContact CB-CB 3.73Å; P453-M479 HydrophobicContact CG-CB 4Å; P453-F480 HydrophobicContact CB-CD1 4.25Å; P453-F480 HydrophobicContact CB-CD2 4.03Å; P453-F480 HydrophobicContact CB-CE1 4.36Å; P453-F480 HydrophobicContact CB-CE2 4.16Å; P453-F480 HydrophobicContact CB-CG 4.09Å; P453-F480 HydrophobicContact CB-CZ 4.31Å; P453-F480 HydrophobicContact CG-CB 4.4Å; P453-F480 HydrophobicContact CG-CD1 3.83Å; P453-F480 HydrophobicContact CG-CD2 4.42Å; P453-F480 HydrophobicContact CG-CE1 4.18Å; P453-F480 HydrophobicContact CG-CG 3.96Å |
| 454 | L | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.1 | -38.6 | -177 | -59.5 | 171.4 | 0 | 0 | 0 | 111.2 | L394 F429 Q432 I433 W436 G450 I452 G457 V458 V476 F480 | L394-L454 HydrophobicContact CB-CD2 3.95Å; L394-L454 HydrophobicContact CD1-CD2 3.99Å; L394-L454 HydrophobicContact CG-CD2 4.47Å; F429-L454 HydrophobicContact CD2-CB 4.34Å; F429-L454 HydrophobicContact CE2-CB 4.26Å; Q432-L454 HydrophobicContact CB-CD1 4.1Å; Q432-L454 HydrophobicContact CB-CD2 4.27Å; Q432-L454 VanDerWaalsContact OE1-CD2 3.29Å; I433-L454 HydrophobicContact CD1-CD1 3.94Å; W436-L454 HydrophobicContact CB-CD1 3.88Å; W436-L454 HydrophobicContact CG-CD1 4.04Å; G450-L454 VanDerWaalsContact O-CB 3.28Å; G450-L454 WeakPolarHBondContact O-CB 3.19Å; G450-L454 WeakPolarHBondContact O-CD1 3.48Å; G450-L454 WeakPolarHBondContact O-CG 3.39Å; G450-L454 PolarHBondContact O-N 3.44Å; G450-L454 VanDerWaalsContact O-N 3.09Å; I452-L454 PolarHBondContact O-N 3.19Å; L454-G457 PolarHBondContact O-N 3.13Å; L454-V458 WeakPolarHBondContact O-CG2 3.43Å; L454-V458 PolarHBondContact O-N 3.35Å; L454-V476 HydrophobicContact CD2-CG1 4.06Å; L454-F480 HydrophobicContact CD2-CZ 4.46Å |
| 455 | L | 98 | Very high | 95.2 | Very high | 74 Ų | 74 | 49.3 Ų | 49.3 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -46.4 | 175.4 | -178.1 | 63.1 | 0 | 0 | 0 | 111.5 | F429 I451 I452 G457 V458 L459 | F429-L455 HydrophobicContact CD2-CB 4.23Å; F429-L455 HydrophobicContact CD2-CD1 4.31Å; F429-L455 HydrophobicContact CE2-CB 3.7Å; F429-L455 HydrophobicContact CE2-CD1 4.23Å; F429-L455 HydrophobicContact CZ-CB 4.35Å; F429-L455 HydrophobicContact CZ-CD1 4.5Å; I451-L455 VanDerWaalsContact O-CB 3.22Å; I451-L455 WeakPolarHBondContact O-CB 2.91Å; I451-L455 PolarHBondContact O-N 2.89Å; I452-L455 PolarHBondContact O-N 3.37Å; L455-G457 VanDerWaalsContact C-N 3.34Å; L455-G457 PolarHBondContact O-N 2.88Å; L455-V458 PolarHBondContact O-N 3.45Å; L455-L459 HydrophobicContact CD1-CD1 4.46Å; L455-L459 HydrophobicContact CD1-CG 4.48Å; L455-L459 HydrophobicContact CG-CD1 4.15Å; L455-L459 VanDerWaalsContact O-CG 3.31Å; L455-L459 WeakPolarHBondContact O-CG 3.08Å; L455-L459 PolarHBondContact O-N 3.05Å |
| 456 | I | 97.3 | Very high | 94.8 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 25% | 0.246 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | 178.5 | -71.3 | 168.7 | 0 | 0 | 0 | 111 | I452 P453 V458 L459 I460 I475 M479 | I452-I456 HydrophobicContact CG2-CD1 3.59Å; I452-I456 HydrophobicContact CG2-CG1 4.41Å; I452-I456 WeakPolarHBondContact O-CB 3.43Å; I452-I456 WeakPolarHBondContact O-CG1 3.15Å; I452-I456 PolarHBondContact O-N 3.02Å; P453-I456 PolarHBondContact O-N 3.02Å; I456-V458 PolarHBondContact O-N 3.26Å; I456-L459 PolarHBondContact O-N 2.89Å; I456-I460 HydrophobicContact CG2-CD1 3.71Å; I456-I460 HydrophobicContact CG2-CG1 4.5Å; I456-I460 WeakPolarHBondContact O-CG1 3.49Å; I456-I460 PolarHBondContact O-N 2.85Å; I456-I475 HydrophobicContact CG2-CG2 4.08Å; I456-M479 HydrophobicContact CB-CG 4.3Å; I456-M479 HydrophobicContact CD1-CE 3.52Å; I456-M479 HydrophobicContact CD1-CG 3.97Å; I456-M479 HydrophobicContact CD1-SD 4.01Å; I456-M479 HydrophobicContact CG2-CG 4Å |
| 457 | G | 97.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.6 | -50.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P453 L454 L455 L459 I460 E461 | P453-G457 PolarHBondContact O-N 3.38Å; L454-G457 PolarHBondContact O-N 3.13Å; L455-G457 VanDerWaalsContact C-N 3.34Å; L455-G457 PolarHBondContact O-N 2.88Å; G457-L459 PolarHBondContact O-N 3.35Å; G457-I460 PolarHBondContact O-N 2.91Å; G457-E461 WeakPolarHBondContact O-CB 3.08Å; G457-E461 PolarHBondContact O-N 3.34Å |
| 458 | V | 97.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 4% | 0.036 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.5 | -39.6 | 179.1 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | S425 F429 L454 L455 I456 E461 A462 | S425-V458 WeakPolarHBondContact O-CG1 3.08Å; F429-V458 HydrophobicContact CB-CG1 4.49Å; F429-V458 HydrophobicContact CB-CG2 4.09Å; L454-V458 WeakPolarHBondContact O-CG2 3.43Å; L454-V458 PolarHBondContact O-N 3.35Å; L455-V458 PolarHBondContact O-N 3.45Å; I456-V458 PolarHBondContact O-N 3.26Å; V458-E461 PolarHBondContact O-N 3.21Å; V458-A462 PolarHBondContact O-N 3.44Å; V458-A462 VanDerWaalsContact O-N 3.12Å |
| 459 | L | 96.6 | Very high | 94.2 | Very high | 73 Ų | 73 | 33.6 Ų | 33.6 | 38% | 0.382 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.3 | -39 | 177.7 | -72 | 174.1 | 0 | 0 | 0 | 111.9 | W415 L455 I456 G457 A462 Y463 | W415-L459 HydrophobicContact CH2-CD2 3.94Å; W415-L459 HydrophobicContact CZ2-CD2 4.46Å; L455-L459 HydrophobicContact CD1-CD1 4.46Å; L455-L459 HydrophobicContact CD1-CG 4.48Å; L455-L459 HydrophobicContact CG-CD1 4.15Å; L455-L459 VanDerWaalsContact O-CG 3.31Å; L455-L459 WeakPolarHBondContact O-CG 3.08Å; L455-L459 PolarHBondContact O-N 3.05Å; I456-L459 PolarHBondContact O-N 2.89Å; G457-L459 PolarHBondContact O-N 3.35Å; L459-A462 WeakPolarHBondContact O-CB 3.49Å; L459-A462 PolarHBondContact O-N 3.09Å; L459-Y463 WeakPolarHBondContact O-CD2 3.28Å |
| 460 | I | 95.3 | Very high | 94.3 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 26% | 0.256 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -71.5 | -40.2 | 176.2 | -71.2 | 168 | 0 | 0 | 0 | 110.5 | W20 I456 G457 A462 Y463 I464 I472 I475 | W20-I460 HydrophobicContact CH2-CG2 4.36Å; I456-I460 HydrophobicContact CG2-CD1 3.71Å; I456-I460 HydrophobicContact CG2-CG1 4.5Å; I456-I460 WeakPolarHBondContact O-CG1 3.49Å; I456-I460 PolarHBondContact O-N 2.85Å; G457-I460 PolarHBondContact O-N 2.91Å; I460-A462 PolarHBondContact O-N 3.49Å; I460-Y463 PolarHBondContact O-N 3.04Å; I460-I464 HydrophobicContact CG2-CB 4.49Å; I460-I464 HydrophobicContact CG2-CD1 4.38Å; I460-I464 WeakPolarHBondContact O-CB 3.22Å; I460-I464 PolarHBondContact O-N 2.99Å; I460-I472 HydrophobicContact CB-CD1 4.15Å; I460-I472 HydrophobicContact CG2-CD1 3.67Å; I460-I475 HydrophobicContact CD1-CG2 3.56Å |
| 461 | E | 94.7 | Very high | 94.3 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.07 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.7 | -34.3 | 174.9 | -169.8 | -174.7 | 163 | 0 | 0 | 112 | G457 V458 Y463 I472 | G457-E461 WeakPolarHBondContact O-CB 3.08Å; G457-E461 PolarHBondContact O-N 3.34Å; V458-E461 PolarHBondContact O-N 3.21Å; E461-Y463 PolarHBondContact O-N 3.11Å; E461-I472 HydrophobicContact CB-CD1 4.01Å; E461-I472 HydrophobicContact CB-CG1 4.23Å; E461-I472 HydrophobicContact CG-CG1 4.47Å |
| 462 | A | 93.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -23.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | W415 S418 V458 L459 I460 | W415-A462 HydrophobicContact CD2-CB 4.07Å; W415-A462 HydrophobicContact CG-CB 3.99Å; S418-A462 WeakPolarHBondContact CB-O 3.22Å; S418-A462 PolarHBondContact OG-O 2.97Å; V458-A462 PolarHBondContact O-N 3.44Å; V458-A462 VanDerWaalsContact O-N 3.12Å; L459-A462 WeakPolarHBondContact O-CB 3.49Å; L459-A462 PolarHBondContact O-N 3.09Å; I460-A462 PolarHBondContact O-N 3.49Å |
| 463 | Y | 92 | Very high | 94.4 | Very high | 125 Ų | 125 | 24.5 Ų | 24.5 | 49% | 0.49 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -0.6 | -175.2 | -68.9 | -82.6 | 0 | 0 | 0 | 114.3 | W415 P416 L459 I460 E461 | W415-Y463 HydrophobicContact CE3-CE2 4.25Å; P416-Y463 WeakPolarHBondContact O-CE1 3.22Å; L459-Y463 WeakPolarHBondContact O-CD2 3.28Å; I460-Y463 PolarHBondContact O-N 3.04Å; E461-Y463 PolarHBondContact O-N 3.11Å |
| 464 | I | 90.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | trans | -87.7 | 125.7 | -176.1 | -157.6 | 172.1 | 0 | 0 | 0 | 111.5 | W20 I460 Q466 D468 V471 I472 | W20-I464 HydrophobicContact CH2-CD1 4.27Å; W20-I464 HydrophobicContact CZ2-CD1 4.19Å; I460-I464 HydrophobicContact CG2-CB 4.49Å; I460-I464 HydrophobicContact CG2-CD1 4.38Å; I460-I464 WeakPolarHBondContact O-CB 3.22Å; I460-I464 PolarHBondContact O-N 2.99Å; I464-Q466 HydrophobicContact CD1-CB 4.31Å; I464-Q466 HydrophobicContact CG1-CB 4.05Å; I464-D468 HydrophobicContact CG2-CB 3.87Å; I464-V471 HydrophobicContact CD1-CB 3.66Å; I464-V471 HydrophobicContact CD1-CG1 3.45Å; I464-V471 VanDerWaalsContact CD1-CG1 3.45Å; I464-V471 HydrophobicContact CD1-CG2 4.21Å; I464-I472 HydrophobicContact CD1-CD1 4.34Å; I464-I472 HydrophobicContact CG2-CD1 4.14Å | ||
| 465 | D | 84.3 | Confident | 94.3 | Very high | 71 Ų | 71 | 25 Ų | 25 | 38% | 0.38 | 12% | 0.123 | S | C | . | . | trans | -102.8 | -10.7 | 171.3 | -60.9 | -46.4 | 0 | 0 | 0 | 112.3 | R12 A15 | R12-D465 PolarHBondContact NH2-O 3.45Å; A15-D465 HydrophobicContact CB-CB 3.93Å | ||
| 466 | Q | 86.6 | Confident | 94.3 | Very high | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -71.3 | -175.7 | 174.5 | -64.9 | 86.1 | 20.3 | 0 | 0 | 111.5 | S16 L21 T105 E108 R341 I464 D468 | S16-Q466 PolarHBondContact O-NE2 3.11Å; S16-Q466 VanDerWaalsContact O-NE2 3.07Å; S16-Q466 PolarHBondContact OG-NE2 3.39Å; L21-Q466 HydrophobicContact CD1-CB 4.18Å; L21-Q466 HydrophobicContact CD1-CG 3.97Å; T105-Q466 HydrophobicContact CG2-CG 4.4Å; E108-Q466 HydrophobicContact CG-CB 4.26Å; E108-Q466 HydrophobicContact CG-CG 4.39Å; E108-Q466 VanDerWaalsContact OE1-CA 3.25Å; E108-Q466 WeakPolarHBondContact OE1-CA 3.27Å; E108-Q466 VanDerWaalsContact OE1-CB 3.28Å; E108-Q466 WeakPolarHBondContact OE1-CB 3.32Å; R341-Q466 PolarHBondContact NH2-O 2.99Å; I464-Q466 HydrophobicContact CD1-CB 4.31Å; I464-Q466 HydrophobicContact CG1-CB 4.05Å; Q466-D468 VanDerWaalsContact C-N 3.3Å; Q466-D468 PolarHBondContact O-N 2.84Å |
| 467 | I | 88.3 | Confident | 94.3 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | trans | -65.2 | 84.4 | 176.9 | -59.5 | 151.4 | 0 | 0 | 0 | 111 | F104 E108 F348 A352 N469 L470 V471 | F104-I467 HydrophobicContact CD1-CD1 4.3Å; F104-I467 HydrophobicContact CE1-CD1 4.47Å; E108-I467 HydrophobicContact CB-CD1 4.28Å; E108-I467 VanDerWaalsContact CD-CD1 3.43Å; E108-I467 HydrophobicContact CG-CD1 3.83Å; E108-I467 HydrophobicContact CG-CG1 4.44Å; E108-I467 WeakPolarHBondContact OE1-CD1 3.49Å; E108-I467 VanDerWaalsContact OE1-CG1 3.27Å; E108-I467 WeakPolarHBondContact OE1-CG1 3.38Å; E108-I467 PolarHBondContact OE1-N 3.21Å; F348-I467 HydrophobicContact CD1-CD1 3.51Å; F348-I467 HydrophobicContact CD1-CG1 4.32Å; F348-I467 HydrophobicContact CE1-CD1 3.64Å; F348-I467 HydrophobicContact CE1-CG2 4.43Å; A352-I467 HydrophobicContact CB-CG2 3.26Å; I467-N469 VanDerWaalsContact C-N 3.32Å; I467-N469 PolarHBondContact O-N 3.22Å; I467-L470 HydrophobicContact CG2-CB 3.88Å; I467-L470 PolarHBondContact O-N 3.19Å; I467-L470 VanDerWaalsContact O-N 3.14Å; I467-V471 WeakPolarHBondContact O-CG2 3.43Å; I467-V471 PolarHBondContact O-N 3.25Å | ||
| 468 | D | 91.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 6% | 0.059 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -55 | -42.5 | 178.7 | 50.7 | 12 | 0 | 0 | 0 | 113.1 | R341 R420 I464 Q466 L470 V471 I472 P473 | R341-D468 IonicContact CZ-OD1 3.51Å; R341-D468 IonicContact CZ-OD2 2.71Å; R341-D468 IonicContact NH1-OD1 3.76Å; R341-D468 PolarHBondContact NH1-OD1 3.07Å; R341-D468 IonicContact NH1-OD2 3.43Å; R341-D468 PolarHBondContact NH1-OD2 3.35Å; R341-D468 VanDerWaalsContact NH2-CG 3.3Å; R341-D468 IonicContact NH2-OD1 3.91Å; R341-D468 IonicContact NH2-OD2 3.71Å; R341-D468 PolarHBondContact NH2-OD2 3.1Å; R420-D468 IonicContact NH2-OD2 3.54Å; R420-D468 PolarHBondContact NH2-OD2 3.18Å; I464-D468 HydrophobicContact CG2-CB 3.87Å; Q466-D468 VanDerWaalsContact C-N 3.3Å; Q466-D468 PolarHBondContact O-N 2.84Å; D468-L470 PolarHBondContact O-N 2.94Å; D468-V471 PolarHBondContact O-N 3.47Å; D468-I472 HydrophobicContact CB-CG1 4.03Å; D468-I472 WeakPolarHBondContact O-CB 3.32Å; D468-I472 WeakPolarHBondContact O-CG1 3.38Å; D468-I472 PolarHBondContact O-N 3.39Å; D468-P473 WeakPolarHBondContact O-CD 3.31Å |
| 469 | N | 94.1 | Very high | 94.1 | Very high | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.048 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.2 | -19.6 | 177.8 | -77.8 | -14.6 | 0 | 0 | 0 | 114 | H283 G356 I396 I467 P473 | H283-N469 PolarHBondContact NE2-ND2 3.4Å; G356-N469 WeakPolarHBondContact CA-O 3.43Å; I396-N469 VanDerWaalsContact CD1-O 3.32Å; I396-N469 WeakPolarHBondContact CD1-O 3.38Å; I467-N469 VanDerWaalsContact C-N 3.32Å; I467-N469 PolarHBondContact O-N 3.22Å; N469-P473 WeakPolarHBondContact O-CG 3.26Å |
| 470 | L | 96.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -104.7 | -45.9 | 173.1 | 177.4 | 59.2 | 0 | 0 | 0 | 111.2 | L111 L112 L115 A352 L355 I359 I467 D468 L474 | L111-L470 HydrophobicContact CD2-CD2 4.24Å; L111-L470 HydrophobicContact CD2-CG 4.44Å; L112-L470 HydrophobicContact CD2-CD2 3.91Å; L115-L470 HydrophobicContact CD1-CD1 4.38Å; L115-L470 HydrophobicContact CD1-CD2 4.31Å; A352-L470 HydrophobicContact CB-CB 4.26Å; L355-L470 HydrophobicContact CB-CD1 3.78Å; I359-L470 HydrophobicContact CD1-CD1 3.72Å; I467-L470 HydrophobicContact CG2-CB 3.88Å; I467-L470 PolarHBondContact O-N 3.19Å; I467-L470 VanDerWaalsContact O-N 3.14Å; D468-L470 PolarHBondContact O-N 2.94Å; L470-L474 HydrophobicContact CD1-CD1 3.92Å; L470-L474 HydrophobicContact CD1-CG 4.45Å; L470-L474 HydrophobicContact CG-CD1 4.11Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.27Å |
| 471 | V | 96.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.8 | -45.1 | -170.6 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | W20 L21 I24 L111 I464 I467 D468 L474 I475 | W20-V471 HydrophobicContact CH2-CG1 3.82Å; W20-V471 HydrophobicContact CZ3-CG1 4.43Å; L21-V471 HydrophobicContact CD1-CG2 4.28Å; L21-V471 HydrophobicContact CD2-CB 4.23Å; L21-V471 HydrophobicContact CD2-CG1 3.55Å; L21-V471 HydrophobicContact CD2-CG2 3.56Å; I24-V471 HydrophobicContact CD1-CG1 3.91Å; L111-V471 HydrophobicContact CD2-CG2 3.93Å; I464-V471 HydrophobicContact CD1-CB 3.66Å; I464-V471 HydrophobicContact CD1-CG1 3.45Å; I464-V471 VanDerWaalsContact CD1-CG1 3.45Å; I464-V471 HydrophobicContact CD1-CG2 4.21Å; I467-V471 WeakPolarHBondContact O-CG2 3.43Å; I467-V471 PolarHBondContact O-N 3.25Å; D468-V471 PolarHBondContact O-N 3.47Å; V471-L474 PolarHBondContact O-N 3.45Å; V471-L474 VanDerWaalsContact O-N 3.15Å; V471-I475 HydrophobicContact CG1-CG1 4.06Å; V471-I475 WeakPolarHBondContact O-CG1 3.11Å; V471-I475 PolarHBondContact O-N 3.44Å |
| 472 | I | 97.3 | Very high | 92 | Very high | 6 Ų | 6 | 27.4 Ų | 27.4 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.8 | -48.1 | -176.6 | -57.7 | -56.3 | 0 | 0 | 0 | 111.6 | I460 E461 I464 D468 L474 I475 V476 | I460-I472 HydrophobicContact CB-CD1 4.15Å; I460-I472 HydrophobicContact CG2-CD1 3.67Å; E461-I472 HydrophobicContact CB-CD1 4.01Å; E461-I472 HydrophobicContact CB-CG1 4.23Å; E461-I472 HydrophobicContact CG-CG1 4.47Å; I464-I472 HydrophobicContact CD1-CD1 4.34Å; I464-I472 HydrophobicContact CG2-CD1 4.14Å; D468-I472 HydrophobicContact CB-CG1 4.03Å; D468-I472 WeakPolarHBondContact O-CB 3.32Å; D468-I472 WeakPolarHBondContact O-CG1 3.38Å; D468-I472 PolarHBondContact O-N 3.39Å; I472-L474 VanDerWaalsContact C-N 3.26Å; I472-L474 PolarHBondContact O-N 3.45Å; I472-I475 PolarHBondContact O-N 2.82Å; I472-V476 HydrophobicContact CG2-CG2 4.21Å; I472-V476 WeakPolarHBondContact O-CG2 3.34Å; I472-V476 PolarHBondContact O-N 2.62Å |
| 473 | P | 98 | Very high | 90.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -53.2 | -40.6 | 172.7 | -27.2 | 30.8 | 0 | 0 | 0 | 114.3 | G356 P360 S391 S395 I396 D468 N469 M477 | G356-P473 WeakPolarHBondContact O-CB 3.27Å; P360-P473 HydrophobicContact CG-CB 4.5Å; S391-P473 VanDerWaalsContact CB-O 3.28Å; S391-P473 WeakPolarHBondContact CB-O 3.36Å; S391-P473 PolarHBondContact OG-O 3.08Å; S395-P473 WeakPolarHBondContact OG-CG 3.1Å; I396-P473 HydrophobicContact CD1-CG 3.61Å; I396-P473 HydrophobicContact CG1-CG 3.82Å; D468-P473 WeakPolarHBondContact O-CD 3.31Å; N469-P473 WeakPolarHBondContact O-CG 3.26Å; P473-M477 WeakPolarHBondContact O-CB 3.25Å; P473-M477 PolarHBondContact O-N 3.02Å |
| 474 | L | 97.6 | Very high | 90 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.2 | -35 | -178.7 | -65.7 | 175.4 | 0 | 0 | 0 | 112.2 | I24 L28 L111 L115 I359 L470 V471 I472 M477 L478 | I24-L474 HydrophobicContact CG2-CB 3.88Å; I24-L474 HydrophobicContact CG2-CD1 4.42Å; L28-L474 HydrophobicContact CD1-CD2 4.38Å; L111-L474 HydrophobicContact CD1-CD1 4.14Å; L111-L474 HydrophobicContact CD2-CD1 4.31Å; L115-L474 HydrophobicContact CD1-CD1 4.14Å; L115-L474 HydrophobicContact CD2-CD1 4.49Å; I359-L474 HydrophobicContact CB-CD2 4.04Å; I359-L474 HydrophobicContact CD1-CD2 4.42Å; I359-L474 HydrophobicContact CG2-CD2 3.52Å; L470-L474 HydrophobicContact CD1-CD1 3.92Å; L470-L474 HydrophobicContact CD1-CG 4.45Å; L470-L474 HydrophobicContact CG-CD1 4.11Å; L470-L474 VanDerWaalsContact O-CG 3.24Å; L470-L474 WeakPolarHBondContact O-CG 3.27Å; V471-L474 PolarHBondContact O-N 3.45Å; V471-L474 VanDerWaalsContact O-N 3.15Å; I472-L474 VanDerWaalsContact C-N 3.26Å; I472-L474 PolarHBondContact O-N 3.45Å; L474-M477 HydrophobicContact CD2-CE 3.67Å; L474-M477 HydrophobicContact CD2-SD 4.47Å; L474-M477 WeakPolarHBondContact O-CB 3.43Å; L474-L478 WeakPolarHBondContact O-CB 3.49Å; L474-L478 PolarHBondContact O-N 3.02Å |
| 475 | I | 97.1 | Very high | 90 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -47.1 | 174 | -69.8 | -62.6 | 0 | 0 | 0 | 110.9 | W20 I24 I456 I460 V471 I472 M477 L478 M479 | W20-I475 HydrophobicContact CZ3-CD1 4.13Å; I24-I475 HydrophobicContact CD1-CD1 3.89Å; I24-I475 HydrophobicContact CD1-CG1 4.29Å; I24-I475 HydrophobicContact CG1-CD1 3.9Å; I456-I475 HydrophobicContact CG2-CG2 4.08Å; I460-I475 HydrophobicContact CD1-CG2 3.56Å; V471-I475 HydrophobicContact CG1-CG1 4.06Å; V471-I475 WeakPolarHBondContact O-CG1 3.11Å; V471-I475 PolarHBondContact O-N 3.44Å; I472-I475 PolarHBondContact O-N 2.82Å; I475-M477 VanDerWaalsContact C-N 3.28Å; I475-M477 PolarHBondContact O-N 3.48Å; I475-L478 WeakPolarHBondContact O-CB 3.46Å; I475-L478 PolarHBondContact O-N 2.98Å; I475-L478 VanDerWaalsContact O-N 3.09Å; I475-M479 WeakPolarHBondContact O-CG 3.49Å; I475-M479 PolarHBondContact O-N 3.5Å |
| 476 | V | 97.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.2 | 173.8 | 0 | 0 | 0 | 0 | 109.7 | P453 L454 I472 L478 M479 F480 | P453-V476 HydrophobicContact CB-CG1 4.27Å; L454-V476 HydrophobicContact CD2-CG1 4.06Å; I472-V476 HydrophobicContact CG2-CG2 4.21Å; I472-V476 WeakPolarHBondContact O-CG2 3.34Å; I472-V476 PolarHBondContact O-N 2.62Å; V476-L478 VanDerWaalsContact C-N 3.3Å; V476-L478 PolarHBondContact O-N 3.11Å; V476-M479 PolarHBondContact O-N 3.02Å; V476-M479 VanDerWaalsContact O-N 3.17Å; V476-F480 HydrophobicContact CG1-CD2 3.89Å; V476-F480 HydrophobicContact CG1-CE2 3.49Å; V476-F480 VanDerWaalsContact CG1-CE2 3.49Å; V476-F480 VanDerWaalsContact O-CD2 3.25Å; V476-F480 WeakPolarHBondContact O-CD2 3.2Å; V476-F480 PolarHBondContact O-N 2.81Å; V476-F480 VanDerWaalsContact O-N 3.14Å |
| 477 | M | 96.1 | Very high | 90.5 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -56.2 | -43 | 173.1 | -176.6 | 177.8 | 79.3 | 0 | 0 | 111.6 | L28 K31 I359 P360 W363 P473 L474 I475 | L28-M477 HydrophobicContact CD1-CE 3.2Å; L28-M477 HydrophobicContact CD2-CE 3.3Å; L28-M477 HydrophobicContact CD2-CG 4.21Å; L28-M477 HydrophobicContact CG-CE 3.79Å; K31-M477 PolarHBondContact NZ-O 3.32Å; I359-M477 HydrophobicContact CG2-CE 4.39Å; P360-M477 WeakPolarHBondContact CA-SD 3.47Å; P360-M477 HydrophobicContact CB-CG 4.48Å; P360-M477 HydrophobicContact CB-SD 3.85Å; P360-M477 HydrophobicContact CG-SD 4Å; W363-M477 HydrophobicContact CB-SD 4.27Å; W363-M477 HydrophobicContact CD2-CE 3.89Å; W363-M477 HydrophobicContact CE3-CE 3.9Å; W363-M477 HydrophobicContact CG-CE 4.17Å; W363-M477 HydrophobicContact CG-SD 4.41Å; W363-M477 HydrophobicContact CZ3-CE 4.48Å; P473-M477 WeakPolarHBondContact O-CB 3.25Å; P473-M477 PolarHBondContact O-N 3.02Å; L474-M477 HydrophobicContact CD2-CE 3.67Å; L474-M477 HydrophobicContact CD2-SD 4.47Å; L474-M477 WeakPolarHBondContact O-CB 3.43Å; I475-M477 VanDerWaalsContact C-N 3.28Å; I475-M477 PolarHBondContact O-N 3.48Å |
| 478 | L | 95.4 | Very high | 90.6 | Very high | 39 Ų | 39 | 31.9 Ų | 31.9 | 20% | 0.204 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.4 | 176.9 | 64.1 | 0 | 0 | 0 | 111.7 | A27 L28 K31 L474 I475 V476 | A27-L478 HydrophobicContact CB-CD1 3.68Å; A27-L478 HydrophobicContact CB-CD2 3.81Å; A27-L478 HydrophobicContact CB-CG 4.42Å; L28-L478 HydrophobicContact CD2-CB 3.63Å; L28-L478 HydrophobicContact CD2-CD1 3.87Å; L28-L478 HydrophobicContact CD2-CG 4.36Å; L28-L478 HydrophobicContact CG-CB 4.37Å; L28-L478 HydrophobicContact CG-CD1 4.22Å; K31-L478 HydrophobicContact CD-CD1 4.34Å; K31-L478 VanDerWaalsContact CD-O 3.32Å; K31-L478 WeakPolarHBondContact CD-O 3.19Å; K31-L478 PolarHBondContact NZ-O 2.91Å; L474-L478 WeakPolarHBondContact O-CB 3.49Å; L474-L478 PolarHBondContact O-N 3.02Å; I475-L478 WeakPolarHBondContact O-CB 3.46Å; I475-L478 PolarHBondContact O-N 2.98Å; I475-L478 VanDerWaalsContact O-N 3.09Å; V476-L478 VanDerWaalsContact C-N 3.3Å; V476-L478 PolarHBondContact O-N 3.11Å |
| 479 | M | 95.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 33.3 Ų | 33.3 | 36% | 0.36 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -77.4 | -27.2 | -173.8 | -67.2 | -49.3 | -50.1 | 0 | 0 | 114.7 | I452 P453 I456 I475 V476 H481 | I452-M479 HydrophobicContact CG2-CE 4.39Å; P453-M479 HydrophobicContact CB-CB 3.73Å; P453-M479 HydrophobicContact CG-CB 4Å; I456-M479 HydrophobicContact CB-CG 4.3Å; I456-M479 HydrophobicContact CD1-CE 3.52Å; I456-M479 HydrophobicContact CD1-CG 3.97Å; I456-M479 HydrophobicContact CD1-SD 4.01Å; I456-M479 HydrophobicContact CG2-CG 4Å; I475-M479 WeakPolarHBondContact O-CG 3.49Å; I475-M479 PolarHBondContact O-N 3.5Å; V476-M479 PolarHBondContact O-N 3.02Å; V476-M479 VanDerWaalsContact O-N 3.17Å; M479-H481 PolarHBondContact O-N 3.44Å |
| 480 | F | 93.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -55.2 | 139.9 | 176.3 | -90.5 | -68.4 | 0 | 0 | 0 | 111.4 | K31 P387 L394 W436 P453 L454 V476 | K31-F480 WeakPolarHBondContact CE-O 3.3Å; K31-F480 PolarHBondContact NZ-O 2.92Å; P387-F480 HydrophobicContact CB-CB 4.42Å; P387-F480 HydrophobicContact CB-CD1 3.6Å; P387-F480 HydrophobicContact CB-CE1 4Å; P387-F480 HydrophobicContact CB-CG 4.07Å; L394-F480 HydrophobicContact CD1-CE2 4.42Å; L394-F480 HydrophobicContact CD1-CZ 4.1Å; W436-F480 HydrophobicContact CD2-CE1 4.41Å; W436-F480 HydrophobicContact CD2-CZ 4.44Å; W436-F480 HydrophobicContact CE3-CE1 4.32Å; W436-F480 HydrophobicContact CE3-CZ 4.16Å; W436-F480 AromaticContact CH2-CE1 3.72Å; W436-F480 HydrophobicContact CH2-CE1 3.72Å; W436-F480 HydrophobicContact CH2-CZ 4.29Å; W436-F480 AromaticContact CZ2-CE1 3.8Å; W436-F480 HydrophobicContact CZ2-CE1 3.8Å; W436-F480 AromaticContact CZ3-CE1 3.98Å; W436-F480 HydrophobicContact CZ3-CE1 3.98Å; W436-F480 HydrophobicContact CZ3-CZ 4.07Å; P453-F480 HydrophobicContact CB-CD1 4.25Å; P453-F480 HydrophobicContact CB-CD2 4.03Å; P453-F480 HydrophobicContact CB-CE1 4.36Å; P453-F480 HydrophobicContact CB-CE2 4.16Å; P453-F480 HydrophobicContact CB-CG 4.09Å; P453-F480 HydrophobicContact CB-CZ 4.31Å; P453-F480 HydrophobicContact CG-CB 4.4Å; P453-F480 HydrophobicContact CG-CD1 3.83Å; P453-F480 HydrophobicContact CG-CD2 4.42Å; P453-F480 HydrophobicContact CG-CE1 4.18Å; P453-F480 HydrophobicContact CG-CG 3.96Å; L454-F480 HydrophobicContact CD2-CZ 4.46Å; V476-F480 HydrophobicContact CG1-CD2 3.89Å; V476-F480 HydrophobicContact CG1-CE2 3.49Å; V476-F480 VanDerWaalsContact CG1-CE2 3.49Å; V476-F480 VanDerWaalsContact O-CD2 3.25Å; V476-F480 WeakPolarHBondContact O-CD2 3.2Å; V476-F480 PolarHBondContact O-N 2.81Å; V476-F480 VanDerWaalsContact O-N 3.14Å |
| 481 | H | 81 | Confident | 89.9 | Confident | 132 Ų | 132 | 37.5 Ų | 37.5 | 61% | 0.611 | 20% | 0.197 | S | C | * | . | trans | -70.9 | 147.6 | 176 | -161.6 | 62.5 | 0 | 0 | 0 | 110.8 | M479 L483 | M479-H481 PolarHBondContact O-N 3.44Å; H481-L483 PolarHBondContact O-N 3.31Å | ||
| 482 | S | 67.8 | Low | 89.3 | Confident | 69 Ų | 69 | 40.5 Ų | 40.5 | 48% | 0.483 | 21% | 0.213 | S | C | . | . | trans | -72.9 | 105.6 | 161.7 | 52.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 483 | L | 54.3 | Low | 88.6 | Confident | 146 Ų | 146 | 43.6 Ų | 43.6 | 76% | 0.764 | 23% | 0.23 | S | C | * | . | trans | -57.8 | 0 | 175.7 | -72.3 | 172.8 | 0 | 0 | 0 | 111.7 | P387 W445 H481 | P387-L483 HydrophobicContact CG-CD1 3.45Å; P387-L483 VanDerWaalsContact CG-CD1 3.45Å; P387-L483 HydrophobicContact CG-CG 4.01Å; W445-L483 HydrophobicContact CB-CD1 4.45Å; W445-L483 VanDerWaalsContact CD1-CD1 3.46Å; W445-L483 HydrophobicContact CD2-CD1 4.15Å; W445-L483 HydrophobicContact CG-CD1 3.78Å; H481-L483 PolarHBondContact O-N 3.31Å |
Retrieved 483 of 483 residues in 1450 ms
(Link to these results)