| 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 | 84.4 | Confident | 93.4 | Very high | 142 Ų | 142 | 70.5 Ų | 70.5 | 70% | 0.7 | 36% | 0.358 | S | S | * | . | 0 | -45.9 | 0 | -73.6 | -55.3 | -74.3 | 0 | 0 | 112.2 | A3 I4 H5 | M1-A3 PolarHBondContact O-N 3.46Å; M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-I4 VanDerWaalsContact O-N 3.11Å; M1-I4 HydrophobicContact SD-CD1 4.33Å; M1-H5 WeakPolarHBondContact CE-NE2 3.46Å; M1-H5 PolarHBondContact O-N 3.01Å; M1-H5 VanDerWaalsContact O-N 3.08Å | |||
| 2 | E | 89.2 | Confident | 93.7 | Very high | 131 Ų | 131 | 64.8 Ų | 64.8 | 61% | 0.612 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -52.6 | -49.9 | 179.4 | -63.1 | 179.5 | 166.8 | 0 | 0 | 113.9 | I4 H5 T6 W83 | E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.09Å; E2-H5 PolarHBondContact O-N 2.81Å; E2-T6 PolarHBondContact O-N 2.69Å; E2-T6 PolarHBondContact O-OG1 3.4Å; E2-T6 VanDerWaalsContact O-OG1 3.06Å; E2-W83 HydrophobicContact CB-CZ2 4.31Å; E2-W83 HydrophobicContact CG-CZ2 4.31Å |
| 3 | A | 91.8 | Very high | 93.9 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -56.3 | -39.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M1 Q7 | M1-A3 PolarHBondContact O-N 3.46Å; A3-Q7 WeakPolarHBondContact O-CB 3.41Å; A3-Q7 VanDerWaalsContact O-CG 3.3Å; A3-Q7 WeakPolarHBondContact O-CG 3.46Å; A3-Q7 PolarHBondContact O-N 3.07Å |
| 4 | I | 93.3 | Very high | 94.1 | Very high | 77 Ų | 77 | 61.1 Ų | 61.1 | 40% | 0.395 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 178.1 | -64.4 | 167.9 | 0 | 0 | 0 | 110.2 | M1 E2 G8 H170 | M1-I4 WeakPolarHBondContact O-CB 3.41Å; M1-I4 PolarHBondContact O-N 3.35Å; M1-I4 VanDerWaalsContact O-N 3.11Å; M1-I4 HydrophobicContact SD-CD1 4.33Å; E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.09Å; I4-G8 PolarHBondContact O-N 3.36Å; I4-H170 HydrophobicContact CG2-CB 4.36Å; I4-H170 WeakPolarHBondContact CG2-ND1 3.2Å |
| 5 | H | 94.7 | Very high | 94.2 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 177.3 | -68.1 | 178.1 | 0 | 0 | 0 | 111.9 | M1 E2 G8 I9 W83 F168 H170 | M1-H5 WeakPolarHBondContact CE-NE2 3.46Å; M1-H5 PolarHBondContact O-N 3.01Å; M1-H5 VanDerWaalsContact O-N 3.08Å; E2-H5 PolarHBondContact O-N 2.81Å; H5-G8 WeakPolarHBondContact O-CA 3.48Å; H5-G8 PolarHBondContact O-N 3.12Å; H5-G8 VanDerWaalsContact O-N 3.14Å; H5-I9 PolarHBondContact O-N 3.36Å; H5-W83 HydrophobicContact CB-CD2 3.79Å; H5-W83 HydrophobicContact CB-CE3 3.65Å; H5-W83 HydrophobicContact CB-CH2 3.36Å; H5-W83 HydrophobicContact CB-CZ2 3.51Å; H5-W83 HydrophobicContact CB-CZ3 3.43Å; H5-W83 VanDerWaalsContact CB-CZ3 3.43Å; H5-W83 AromaticContact CG-CE2 3.94Å; H5-W83 AromaticContact ND1-CD1 3.79Å; H5-W83 AromaticContact ND1-CD2 3.79Å; H5-W83 AromaticContact ND1-CE2 3.36Å; H5-W83 AromaticContact ND1-CZ2 3.8Å; H5-W83 AromaticContact ND1-NE1 3.35Å; H5-W83 PolarHBondContact ND1-NE1 3.35Å; H5-F168 HydrophobicContact CB-CD1 4.41Å; H5-F168 HydrophobicContact CB-CE1 3.74Å; H5-F168 HydrophobicContact CB-CE2 4.41Å; H5-F168 HydrophobicContact CB-CZ 3.74Å; H5-F168 AromaticContact CD2-CD2 3.83Å; H5-F168 AromaticContact CD2-CE2 3.78Å; H5-F168 AromaticContact CD2-CZ 3.97Å; H5-F168 AromaticContact CG-CE2 3.88Å; H5-F168 AromaticContact CG-CZ 3.7Å; H5-F168 AromaticContact NE2-CE2 3.96Å; H5-F168 WeakPolarHBondContact O-CE1 3.38Å; H5-H170 AromaticContact CD2-CE1 3.64Å; H5-H170 AromaticContact NE2-CE1 3.62Å |
| 6 | T | 94.7 | Very high | 94.4 | Very high | 34 Ų | 34 | 55.6 Ų | 55.6 | 21% | 0.209 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.1 | -49.4 | 175.1 | -58.4 | 0 | 0 | 0 | 0 | 111 | E2 G8 I9 W10 F90 | E2-T6 PolarHBondContact O-N 2.69Å; E2-T6 PolarHBondContact O-OG1 3.4Å; E2-T6 VanDerWaalsContact O-OG1 3.06Å; T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 2.9Å; T6-I9 PolarHBondContact O-N 3.5Å; T6-W10 PolarHBondContact O-N 3.48Å; T6-W10 VanDerWaalsContact O-N 3.13Å; T6-F90 HydrophobicContact CG2-CE1 4.43Å; T6-F90 HydrophobicContact CG2-CZ 4.13Å |
| 7 | Q | 94.9 | Very high | 94.4 | Very high | 125 Ų | 125 | 58.1 Ų | 58.1 | 58% | 0.584 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.6 | -40.9 | 173.9 | -73.4 | 175 | -1.7 | 0 | 0 | 111.9 | A3 I9 W10 I11 | A3-Q7 WeakPolarHBondContact O-CB 3.41Å; A3-Q7 VanDerWaalsContact O-CG 3.3Å; A3-Q7 WeakPolarHBondContact O-CG 3.46Å; A3-Q7 PolarHBondContact O-N 3.07Å; Q7-I9 VanDerWaalsContact C-N 3.3Å; Q7-I9 PolarHBondContact O-N 3Å; Q7-W10 PolarHBondContact O-N 3.32Å; Q7-I11 VanDerWaalsContact O-CG1 3.29Å; Q7-I11 WeakPolarHBondContact O-CG1 3.44Å; Q7-I11 PolarHBondContact O-N 3.16Å |
| 8 | G | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 62.5 Ų | 62.5 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | I4 H5 T6 A12 | I4-G8 PolarHBondContact O-N 3.36Å; H5-G8 WeakPolarHBondContact O-CA 3.48Å; H5-G8 PolarHBondContact O-N 3.12Å; H5-G8 VanDerWaalsContact O-N 3.14Å; T6-G8 VanDerWaalsContact C-N 3.29Å; T6-G8 PolarHBondContact O-N 2.9Å; G8-A12 WeakPolarHBondContact O-CB 3.31Å; G8-A12 PolarHBondContact O-N 3.04Å |
| 9 | I | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.9 | -46.6 | 173.8 | -76.9 | 164.8 | 0 | 0 | 0 | 111.3 | H5 T6 Q7 I11 A12 E13 W83 I84 F90 P95 L97 F168 | H5-I9 PolarHBondContact O-N 3.36Å; T6-I9 PolarHBondContact O-N 3.5Å; Q7-I9 VanDerWaalsContact C-N 3.3Å; Q7-I9 PolarHBondContact O-N 3Å; I9-I11 VanDerWaalsContact C-N 3.27Å; I9-I11 PolarHBondContact O-N 2.97Å; I9-A12 CarbonylContact O-C 3.42Å; I9-A12 WeakPolarHBondContact O-CB 3.44Å; I9-A12 PolarHBondContact O-N 3.3Å; I9-E13 PolarHBondContact O-N 2.91Å; I9-W83 HydrophobicContact CD1-CE3 3.44Å; I9-W83 VanDerWaalsContact CD1-CE3 3.44Å; I9-W83 HydrophobicContact CD1-CZ3 3.56Å; I9-I84 HydrophobicContact CD1-CB 4.45Å; I9-I84 HydrophobicContact CD1-CD1 4.36Å; I9-I84 HydrophobicContact CD1-CG1 3.38Å; I9-I84 HydrophobicContact CG1-CD1 4.44Å; I9-I84 HydrophobicContact CG1-CG1 3.95Å; I9-F90 HydrophobicContact CB-CZ 4.1Å; I9-F90 HydrophobicContact CD1-CD2 4.36Å; I9-F90 HydrophobicContact CD1-CE1 4.41Å; I9-F90 HydrophobicContact CD1-CE2 3.4Å; I9-F90 VanDerWaalsContact CD1-CE2 3.4Å; I9-F90 HydrophobicContact CD1-CZ 3.43Å; I9-F90 VanDerWaalsContact CD1-CZ 3.43Å; I9-F90 HydrophobicContact CG1-CZ 4.38Å; I9-F90 HydrophobicContact CG2-CE1 3.93Å; I9-F90 HydrophobicContact CG2-CZ 3.93Å; I9-P95 HydrophobicContact CG2-CB 3.91Å; I9-P95 HydrophobicContact CG2-CG 3.88Å; I9-L97 HydrophobicContact CG2-CD1 3.96Å; I9-F168 HydrophobicContact CG1-CE1 4.17Å |
| 10 | W | 96.2 | Very high | 94.1 | Very high | 110 Ų | 110 | 63.7 Ų | 63.7 | 42% | 0.417 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.9 | -36.5 | 178.5 | -63.3 | 124.6 | 0 | 0 | 0 | 111.9 | T6 Q7 E13 A14 F90 P95 | T6-W10 PolarHBondContact O-N 3.48Å; T6-W10 VanDerWaalsContact O-N 3.13Å; Q7-W10 PolarHBondContact O-N 3.32Å; W10-E13 WeakPolarHBondContact CZ3-OE2 3.29Å; W10-E13 PolarHBondContact O-N 3.32Å; W10-A14 WeakPolarHBondContact O-CB 3.39Å; W10-A14 PolarHBondContact O-N 3.48Å; W10-F90 AromaticContact CE2-CE1 4Å; W10-F90 HydrophobicContact CH2-CD1 4.3Å; W10-F90 HydrophobicContact CH2-CE1 4.26Å; W10-F90 HydrophobicContact CZ2-CD1 4.09Å; W10-F90 AromaticContact CZ2-CE1 3.72Å; W10-F90 HydrophobicContact CZ2-CE1 3.72Å; W10-P95 HydrophobicContact CZ3-CB 4.35Å |
| 11 | I | 96.8 | Very high | 93.9 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 40% | 0.4 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 171.4 | -68.9 | 165.2 | 0 | 0 | 0 | 110.7 | Q7 I9 A14 L15 I162 P169 | Q7-I11 VanDerWaalsContact O-CG1 3.29Å; Q7-I11 WeakPolarHBondContact O-CG1 3.44Å; Q7-I11 PolarHBondContact O-N 3.16Å; I9-I11 VanDerWaalsContact C-N 3.27Å; I9-I11 PolarHBondContact O-N 2.97Å; I11-A14 PolarHBondContact O-N 2.99Å; I11-L15 VanDerWaalsContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.26Å; I11-I162 HydrophobicContact CG2-CG2 4.36Å; I11-P169 HydrophobicContact CB-CG 4.49Å; I11-P169 HydrophobicContact CD1-CG 4.07Å; I11-P169 HydrophobicContact CG2-CG 4.24Å |
| 12 | A | 96.7 | Very high | 94.3 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G8 I9 L15 Q16 L97 I162 L165 | G8-A12 WeakPolarHBondContact O-CB 3.31Å; G8-A12 PolarHBondContact O-N 3.04Å; I9-A12 CarbonylContact O-C 3.42Å; I9-A12 WeakPolarHBondContact O-CB 3.44Å; I9-A12 PolarHBondContact O-N 3.3Å; A12-L15 PolarHBondContact O-N 3.04Å; A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.41Å; A12-L97 HydrophobicContact CB-CD2 4.41Å; A12-I162 HydrophobicContact CB-CG2 3.83Å; A12-L165 HydrophobicContact CB-CD2 3.73Å |
| 13 | E | 96.6 | Very high | 94.4 | Very high | 31 Ų | 31 | 59.7 Ų | 59.7 | 15% | 0.145 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.9 | -50 | 176 | -175.3 | -176.9 | -154 | 0 | 0 | 111.1 | I9 W10 L15 Q16 Q17 K96 L97 | I9-E13 PolarHBondContact O-N 2.91Å; W10-E13 WeakPolarHBondContact CZ3-OE2 3.29Å; W10-E13 PolarHBondContact O-N 3.32Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.81Å; E13-Q16 PolarHBondContact O-N 2.89Å; E13-Q16 VanDerWaalsContact O-N 3.16Å; E13-Q17 HydrophobicContact CG-CG 4.22Å; E13-Q17 VanDerWaalsContact O-CG 3.3Å; E13-Q17 WeakPolarHBondContact O-CG 3.5Å; E13-Q17 PolarHBondContact O-N 2.72Å; E13-K96 WeakPolarHBondContact OE1-CB 3.37Å; E13-K96 PolarHBondContact OE1-N 3.38Å; E13-L97 VanDerWaalsContact CA-CD2 3.48Å; E13-L97 HydrophobicContact CB-CD2 3.89Å; E13-L97 HydrophobicContact CB-CG 4.24Å; E13-L97 HydrophobicContact CG-CD2 4.46Å |
| 14 | A | 96.3 | Very high | 94.5 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 40% | 0.397 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | W10 I11 Q17 I18 | W10-A14 WeakPolarHBondContact O-CB 3.39Å; W10-A14 PolarHBondContact O-N 3.48Å; I11-A14 PolarHBondContact O-N 2.99Å; A14-Q17 PolarHBondContact O-N 3.2Å; A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.45Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.1Å |
| 15 | L | 96.2 | Very high | 94.5 | Very high | 24 Ų | 24 | 65.2 Ų | 65.2 | 13% | 0.126 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -46.5 | 177.4 | -175.1 | 64.4 | 0 | 0 | 0 | 111.6 | I11 A12 E13 T19 W26 F159 I162 F163 | I11-L15 VanDerWaalsContact O-CB 3.26Å; I11-L15 WeakPolarHBondContact O-CB 3.44Å; I11-L15 PolarHBondContact O-N 3.26Å; A12-L15 PolarHBondContact O-N 3.04Å; E13-L15 VanDerWaalsContact C-N 3.26Å; E13-L15 PolarHBondContact O-N 2.81Å; L15-T19 HydrophobicContact CD1-CG2 4.33Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.31Å; L15-W26 HydrophobicContact CD1-CZ2 4.36Å; L15-F159 HydrophobicContact CD1-CD1 4.33Å; L15-F159 HydrophobicContact CD2-CB 4.21Å; L15-F159 HydrophobicContact CD2-CD1 3.98Å; L15-F159 WeakPolarHBondContact CD2-O 3.5Å; L15-I162 HydrophobicContact CD2-CB 4.29Å; L15-I162 HydrophobicContact CD2-CG2 4.27Å; L15-F163 HydrophobicContact CD2-CB 3.83Å; L15-F163 HydrophobicContact CG-CB 4.4Å; L15-F163 HydrophobicContact CG-CD2 4.17Å |
| 16 | Q | 96.1 | Very high | 94.5 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.047 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.6 | -77.4 | -164.6 | 5.4 | 0 | 0 | 112.2 | A12 E13 K20 L97 Q98 F163 | A12-Q16 WeakPolarHBondContact O-CG 3.46Å; A12-Q16 PolarHBondContact O-N 3.41Å; E13-Q16 PolarHBondContact O-N 2.89Å; E13-Q16 VanDerWaalsContact O-N 3.16Å; Q16-K20 VanDerWaalsContact O-CA 3.26Å; Q16-K20 WeakPolarHBondContact O-CA 3.47Å; Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.27Å; Q16-K20 PolarHBondContact O-N 3Å; Q16-L97 HydrophobicContact CG-CD2 4.24Å; Q16-Q98 PolarHBondContact NE2-O 3.38Å; Q16-F163 HydrophobicContact CB-CD2 4.47Å; Q16-F163 HydrophobicContact CB-CE2 4.26Å; Q16-F163 HydrophobicContact CG-CD2 3.85Å; Q16-F163 HydrophobicContact CG-CE2 3.91Å; Q16-F163 HydrophobicContact CG-CG 4.31Å; Q16-F163 HydrophobicContact CG-CZ 4.38Å; Q16-F163 PolarHBondContact NE2-O 3.26Å |
| 17 | Q | 95 | Very high | 94.5 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.5 | -43.8 | -178.8 | -65.6 | -59.7 | -32.1 | 0 | 0 | 112.1 | E13 A14 K96 | E13-Q17 HydrophobicContact CG-CG 4.22Å; E13-Q17 VanDerWaalsContact O-CG 3.3Å; E13-Q17 WeakPolarHBondContact O-CG 3.5Å; E13-Q17 PolarHBondContact O-N 2.72Å; A14-Q17 PolarHBondContact O-N 3.2Å; Q17-K96 PolarHBondContact NE2-O 3.01Å; Q17-K96 VanDerWaalsContact NE2-O 3.14Å |
| 18 | I | 95.4 | Very high | 94.5 | Very high | 138 Ų | 138 | 66 Ų | 66 | 71% | 0.708 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -67.9 | -38.6 | -179.5 | -67 | 165.5 | 0 | 0 | 0 | 111.3 | A14 | A14-I18 WeakPolarHBondContact O-CB 3.45Å; A14-I18 WeakPolarHBondContact O-CD1 3.45Å; A14-I18 WeakPolarHBondContact O-CG1 3.35Å; A14-I18 PolarHBondContact O-N 3.1Å |
| 19 | T | 93.6 | Very high | 94.5 | Very high | 17 Ų | 17 | 66.6 Ų | 66.6 | 10% | 0.104 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.7 | 22.3 | -170.1 | 68 | 0 | 0 | 0 | 0 | 113.5 | L15 S21 Q22 W26 | L15-T19 HydrophobicContact CD1-CG2 4.33Å; L15-T19 PolarHBondContact O-N 2.88Å; L15-T19 PolarHBondContact O-OG1 3.31Å; T19-S21 PolarHBondContact O-N 3.31Å; T19-S21 VanDerWaalsContact O-N 3.17Å; T19-Q22 WeakPolarHBondContact O-CA 3.35Å; T19-Q22 WeakPolarHBondContact O-CB 3.42Å; T19-Q22 PolarHBondContact O-N 3.18Å; T19-W26 HydrophobicContact CG2-CZ2 4.15Å; T19-W26 PolarHBondContact OG1-NE1 2.72Å |
| 20 | K | 87.5 | Confident | 94.3 | Very high | 131 Ų | 131 | 67 Ų | 67 | 57% | 0.57 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -54.4 | -38 | -176.3 | -165.6 | 174.8 | -179.9 | 178.2 | 0 | 113.5 | Q16 Q22 D23 | Q16-K20 VanDerWaalsContact O-CA 3.26Å; Q16-K20 WeakPolarHBondContact O-CA 3.47Å; Q16-K20 VanDerWaalsContact O-CB 3.26Å; Q16-K20 WeakPolarHBondContact O-CB 3.27Å; Q16-K20 PolarHBondContact O-N 3Å; K20-Q22 PolarHBondContact O-N 2.79Å; K20-D23 PolarHBondContact O-N 2.78Å |
| 21 | S | 91.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 68 Ų | 68 | 76% | 0.762 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -69.2 | -10.9 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | T19 | T19-S21 PolarHBondContact O-N 3.31Å; T19-S21 VanDerWaalsContact O-N 3.17Å |
| 22 | Q | 91.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 68.2 Ų | 68.2 | 42% | 0.421 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -111.6 | 18.4 | -176.2 | -60.4 | -179.1 | 19.1 | 0 | 0 | 112.2 | T19 K20 K24 L25 W26 | T19-Q22 WeakPolarHBondContact O-CA 3.35Å; T19-Q22 WeakPolarHBondContact O-CB 3.42Å; T19-Q22 PolarHBondContact O-N 3.18Å; K20-Q22 PolarHBondContact O-N 2.79Å; Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.23Å; Q22-L25 HydrophobicContact CB-CB 4.48Å; Q22-L25 HydrophobicContact CB-CD1 4.08Å; Q22-L25 HydrophobicContact CG-CD1 4.19Å; Q22-L25 WeakPolarHBondContact O-CB 3.2Å; Q22-L25 PolarHBondContact O-N 3.1Å; Q22-W26 VanDerWaalsContact O-CD1 3.31Å; Q22-W26 PolarHBondContact O-N 3.31Å |
| 23 | D | 91.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 68.2 Ų | 68.2 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -48.8 | -44.9 | 179.8 | 66.1 | -17.3 | 0 | 0 | 0 | 113.3 | K20 L25 W26 L27 F100 F163 | K20-D23 PolarHBondContact O-N 2.78Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 3.39Å; D23-W26 PolarHBondContact O-N 3.07Å; D23-L27 WeakPolarHBondContact O-CG 3.34Å; D23-L27 PolarHBondContact O-N 3.39Å; D23-F100 HydrophobicContact CB-CE1 4.38Å; D23-F163 HydrophobicContact CB-CE1 4.23Å; D23-F163 HydrophobicContact CB-CZ 3.98Å |
| 24 | K | 93.7 | Very high | 93.5 | Very high | 155 Ų | 155 | 67.7 Ų | 67.7 | 67% | 0.674 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.5 | -38.3 | 177.1 | -68.2 | 177.4 | -174 | 176.5 | 0 | 112.4 | Q22 L27 I28 | Q22-K24 VanDerWaalsContact C-N 3.27Å; Q22-K24 PolarHBondContact O-N 3.23Å; K24-L27 PolarHBondContact O-N 3.38Å; K24-I28 WeakPolarHBondContact O-CD1 3.42Å; K24-I28 VanDerWaalsContact O-CG1 3.23Å; K24-I28 WeakPolarHBondContact O-CG1 3.49Å; K24-I28 PolarHBondContact O-N 3.06Å |
| 25 | L | 94.3 | Very high | 93.3 | Very high | 105 Ų | 105 | 65.7 Ų | 65.7 | 55% | 0.55 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 178.6 | -67.2 | 172.4 | 0 | 0 | 0 | 110.6 | Q22 D23 I28 A29 | Q22-L25 HydrophobicContact CB-CB 4.48Å; Q22-L25 HydrophobicContact CB-CD1 4.08Å; Q22-L25 HydrophobicContact CG-CD1 4.19Å; Q22-L25 WeakPolarHBondContact O-CB 3.2Å; Q22-L25 PolarHBondContact O-N 3.1Å; D23-L25 VanDerWaalsContact C-N 3.3Å; D23-L25 PolarHBondContact O-N 3.39Å; L25-I28 PolarHBondContact O-N 3.45Å; L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 2.93Å |
| 26 | W | 95.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 13% | 0.129 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 174.8 | -60.7 | 122.8 | 0 | 0 | 0 | 112.3 | L15 T19 Q22 D23 I28 A29 T30 F159 S160 F163 | L15-W26 HydrophobicContact CD1-CZ2 4.36Å; T19-W26 HydrophobicContact CG2-CZ2 4.15Å; T19-W26 PolarHBondContact OG1-NE1 2.72Å; Q22-W26 VanDerWaalsContact O-CD1 3.31Å; Q22-W26 PolarHBondContact O-N 3.31Å; D23-W26 PolarHBondContact O-N 3.07Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 3.17Å; W26-A29 PolarHBondContact O-N 3.12Å; W26-T30 PolarHBondContact O-N 2.92Å; W26-F159 HydrophobicContact CE3-CB 4.34Å; W26-F159 HydrophobicContact CH2-CB 3.88Å; W26-F159 HydrophobicContact CZ3-CB 3.59Å; W26-S160 VanDerWaalsContact O-CB 3.27Å; W26-S160 WeakPolarHBondContact O-CB 3.4Å; W26-F163 HydrophobicContact CB-CB 4.44Å; W26-F163 HydrophobicContact CB-CD1 3.69Å; W26-F163 HydrophobicContact CB-CE1 4.04Å; W26-F163 HydrophobicContact CB-CG 4.02Å; W26-F163 AromaticContact CD1-CD1 3.97Å; W26-F163 AromaticContact CD1-CD2 3.52Å; W26-F163 AromaticContact CD1-CE1 3.93Å; W26-F163 AromaticContact CD1-CE2 3.46Å; W26-F163 VanDerWaalsContact CD1-CE2 3.46Å; W26-F163 AromaticContact CD1-CG 3.79Å; W26-F163 AromaticContact CD1-CZ 3.7Å; W26-F163 HydrophobicContact CG-CB 4.34Å; W26-F163 HydrophobicContact CG-CD1 4.01Å; W26-F163 HydrophobicContact CG-CD2 4.06Å; W26-F163 HydrophobicContact CG-CE1 4.3Å; W26-F163 HydrophobicContact CG-CE2 4.34Å; W26-F163 AromaticContact CG-CG 3.89Å; W26-F163 HydrophobicContact CG-CG 3.89Å; W26-F163 HydrophobicContact CG-CZ 4.48Å; W26-F163 AromaticContact NE1-CD2 3.83Å; W26-F163 AromaticContact NE1-CE2 3.88Å |
| 27 | L | 94.3 | Very high | 93 | Very high | 57 Ų | 57 | 65.5 Ų | 65.5 | 30% | 0.298 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 175.3 | -67.2 | 177.1 | 0 | 0 | 0 | 112.3 | D23 K24 T30 H31 F100 I164 | D23-L27 WeakPolarHBondContact O-CG 3.34Å; D23-L27 PolarHBondContact O-N 3.39Å; K24-L27 PolarHBondContact O-N 3.38Å; L27-T30 WeakPolarHBondContact O-CG2 3.31Å; L27-H31 WeakPolarHBondContact O-CB 3.3Å; L27-H31 PolarHBondContact O-N 2.82Å; L27-H31 VanDerWaalsContact O-N 3.13Å; L27-F100 HydrophobicContact CD1-CD1 4.17Å; L27-F100 HydrophobicContact CD2-CB 4.03Å; L27-F100 HydrophobicContact CD2-CD1 4.05Å; L27-F100 HydrophobicContact CD2-CG 4.06Å; L27-F100 HydrophobicContact CG-CD1 4.49Å; L27-I164 HydrophobicContact CD2-CG2 3.91Å |
| 28 | I | 94.8 | Very high | 93 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 48% | 0.482 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 173.1 | -69.7 | 163.5 | 0 | 0 | 0 | 110.3 | K24 L25 W26 T30 H31 I32 | K24-I28 WeakPolarHBondContact O-CD1 3.42Å; K24-I28 VanDerWaalsContact O-CG1 3.23Å; K24-I28 WeakPolarHBondContact O-CG1 3.49Å; K24-I28 PolarHBondContact O-N 3.06Å; L25-I28 PolarHBondContact O-N 3.45Å; W26-I28 VanDerWaalsContact C-N 3.33Å; W26-I28 PolarHBondContact O-N 3.17Å; I28-T30 VanDerWaalsContact C-N 3.34Å; I28-T30 PolarHBondContact O-N 3.48Å; I28-H31 PolarHBondContact O-N 3.39Å; I28-H31 VanDerWaalsContact O-N 3.07Å; I28-I32 HydrophobicContact CG2-CD1 3.68Å; I28-I32 HydrophobicContact CG2-CG1 4.25Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 3.34Å |
| 29 | A | 95.1 | Very high | 93.1 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L25 W26 H31 I32 G33 | L25-A29 WeakPolarHBondContact O-CB 3.23Å; L25-A29 PolarHBondContact O-N 2.93Å; W26-A29 PolarHBondContact O-N 3.12Å; A29-H31 VanDerWaalsContact C-N 3.31Å; A29-H31 PolarHBondContact O-N 3.21Å; A29-I32 PolarHBondContact O-N 3.44Å; A29-G33 PolarHBondContact O-N 2.97Å |
| 30 | T | 93.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 112.3 | W26 L27 I28 G33 D34 H114 S160 R161 I164 | W26-T30 PolarHBondContact O-N 2.92Å; L27-T30 WeakPolarHBondContact O-CG2 3.31Å; I28-T30 VanDerWaalsContact C-N 3.34Å; I28-T30 PolarHBondContact O-N 3.48Å; T30-G33 PolarHBondContact O-N 3.13Å; T30-D34 PolarHBondContact O-N 2.72Å; T30-H114 PolarHBondContact O-CD2 2.91Å; T30-S160 WeakPolarHBondContact CA-OG 3.25Å; T30-S160 PolarHBondContact N-OG 3.47Å; T30-R161 WeakPolarHBondContact OG1-CD 3.4Å; T30-R161 PolarHBondContact OG1-NH1 2.87Å; T30-I164 HydrophobicContact CG2-CD1 4.24Å |
| 31 | H | 92.2 | Very high | 93.5 | Very high | 132 Ų | 132 | 53.1 Ų | 53.1 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -72 | -35.5 | 178.8 | -168.1 | -64.2 | 0 | 0 | 0 | 111.7 | L27 I28 A29 G33 D34 | L27-H31 WeakPolarHBondContact O-CB 3.3Å; L27-H31 PolarHBondContact O-N 2.82Å; L27-H31 VanDerWaalsContact O-N 3.13Å; I28-H31 PolarHBondContact O-N 3.39Å; I28-H31 VanDerWaalsContact O-N 3.07Å; A29-H31 VanDerWaalsContact C-N 3.31Å; A29-H31 PolarHBondContact O-N 3.21Å; H31-G33 VanDerWaalsContact C-N 3.33Å; H31-D34 WeakPolarHBondContact O-CB 3.17Å; H31-D34 PolarHBondContact O-N 3.46Å |
| 32 | I | 91.9 | Very high | 93.7 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 43% | 0.426 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.1 | -37.1 | 173.9 | -72.6 | 173 | 0 | 0 | 0 | 110.8 | I28 A29 D34 W122 | I28-I32 HydrophobicContact CG2-CD1 3.68Å; I28-I32 HydrophobicContact CG2-CG1 4.25Å; I28-I32 WeakPolarHBondContact O-CG1 3.26Å; I28-I32 PolarHBondContact O-N 3.34Å; A29-I32 PolarHBondContact O-N 3.44Å; I32-D34 VanDerWaalsContact C-N 3.26Å; I32-D34 PolarHBondContact O-N 2.9Å; I32-W122 HydrophobicContact CG2-CH2 4.07Å; I32-W122 HydrophobicContact CG2-CZ2 3.62Å |
| 33 | G | 91.5 | Very high | 94 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 4.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A29 T30 H31 H114 T118 | A29-G33 PolarHBondContact O-N 2.97Å; T30-G33 PolarHBondContact O-N 3.13Å; H31-G33 VanDerWaalsContact C-N 3.33Å; G33-H114 VanDerWaalsContact C-CD2 3.45Å; G33-H114 WeakPolarHBondContact O-CA 3.34Å; G33-H114 WeakPolarHBondContact O-CB 3.37Å; G33-H114 PolarHBondContact O-CD2 3.15Å; G33-T118 WeakPolarHBondContact CA-OG1 3.43Å; G33-T118 PolarHBondContact O-OG1 3.5Å |
| 34 | D | 92.5 | Very high | 94.3 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 11% | 0.107 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -66.6 | 129.3 | 176 | -173.2 | -42.1 | 0 | 0 | 0 | 109.2 | T30 H31 I32 K36 A37 | T30-D34 PolarHBondContact O-N 2.72Å; H31-D34 WeakPolarHBondContact O-CB 3.17Å; H31-D34 PolarHBondContact O-N 3.46Å; I32-D34 VanDerWaalsContact C-N 3.26Å; I32-D34 PolarHBondContact O-N 2.9Å; D34-K36 PolarHBondContact O-N 3.4Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.06Å; D34-K36 WeakPolarHBondContact OD1-CE 3.38Å; D34-K36 WeakPolarHBondContact OD1-CG 3.4Å; D34-K36 PolarHBondContact OD1-N 3.27Å; D34-K36 WeakPolarHBondContact OD2-CE 3.47Å; D34-K36 IonicContact OD2-NZ 2.73Å; D34-K36 PolarHBondContact OD2-NZ 3.29Å; D34-A37 WeakPolarHBondContact O-CB 3.48Å; D34-A37 PolarHBondContact O-N 2.95Å |
| 35 | P | 91.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 5% | 0.045 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -50.9 | -30.5 | 176.5 | -29.5 | 36.4 | 0 | 0 | 0 | 114.4 | A37 A38 F39 E65 V117 | P35-A37 PolarHBondContact O-N 3.02Å; P35-A38 VanDerWaalsContact O-CB 3.27Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3.39Å; P35-A38 VanDerWaalsContact O-N 3.1Å; P35-F39 WeakPolarHBondContact O-CD2 3.48Å; P35-E65 WeakPolarHBondContact CB-OE1 3.37Å; P35-E65 VanDerWaalsContact CG-OE1 3.3Å; P35-E65 WeakPolarHBondContact CG-OE1 3.46Å; P35-V117 HydrophobicContact CB-CB 4.33Å; P35-V117 HydrophobicContact CB-CG1 4.1Å; P35-V117 HydrophobicContact CB-CG2 4.29Å; P35-V117 HydrophobicContact CG-CB 4.21Å; P35-V117 HydrophobicContact CG-CG1 4.5Å; P35-V117 HydrophobicContact CG-CG2 4.14Å |
| 36 | K | 92.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -32.3 | 174 | -68.8 | 176.4 | -73.4 | 179.5 | 0 | 112.6 | D34 A38 F39 L40 D244 F314 | D34-K36 PolarHBondContact O-N 3.4Å; D34-K36 VanDerWaalsContact OD1-CB 3.29Å; D34-K36 WeakPolarHBondContact OD1-CB 3.06Å; D34-K36 WeakPolarHBondContact OD1-CE 3.38Å; D34-K36 WeakPolarHBondContact OD1-CG 3.4Å; D34-K36 PolarHBondContact OD1-N 3.27Å; D34-K36 WeakPolarHBondContact OD2-CE 3.47Å; D34-K36 IonicContact OD2-NZ 2.73Å; D34-K36 PolarHBondContact OD2-NZ 3.29Å; K36-A38 PolarHBondContact O-N 2.93Å; K36-F39 PolarHBondContact O-N 3.03Å; K36-L40 HydrophobicContact CB-CD1 4.3Å; K36-L40 WeakPolarHBondContact O-CB 3.45Å; K36-L40 WeakPolarHBondContact O-CG 3.17Å; K36-L40 PolarHBondContact O-N 2.87Å; K36-D244 IonicContact NZ-OD2 3.95Å; K36-D244 PolarHBondContact NZ-OD2 3.33Å; K36-F314 HydrophobicContact CG-CZ 4.4Å |
| 37 | A | 93.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -30.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D34 P35 F39 L41 V42 | D34-A37 WeakPolarHBondContact O-CB 3.48Å; D34-A37 PolarHBondContact O-N 2.95Å; P35-A37 PolarHBondContact O-N 3.02Å; A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.22Å; A37-L41 HydrophobicContact CB-CD1 4.19Å; A37-L41 WeakPolarHBondContact O-CA 3.46Å; A37-L41 WeakPolarHBondContact O-CB 3.35Å; A37-L41 PolarHBondContact O-N 2.97Å; A37-V42 PolarHBondContact O-N 2.8Å |
| 38 | A | 95.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 4% | 0.041 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -59.8 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | P35 K36 F43 A61 V121 | P35-A38 VanDerWaalsContact O-CB 3.27Å; P35-A38 WeakPolarHBondContact O-CB 3.43Å; P35-A38 PolarHBondContact O-N 3.39Å; P35-A38 VanDerWaalsContact O-N 3.1Å; K36-A38 PolarHBondContact O-N 2.93Å; A38-F43 VanDerWaalsContact O-CB 3.31Å; A38-F43 WeakPolarHBondContact O-CB 3.35Å; A38-F43 PolarHBondContact O-N 3.35Å; A38-A61 HydrophobicContact CB-CB 3.86Å; A38-V121 HydrophobicContact CB-CG1 4.18Å; A38-V121 HydrophobicContact CB-CG2 3.97Å |
| 39 | F | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | I | π-helix | trans | -80.7 | -37.5 | -178.8 | -58.5 | -81.5 | 0 | 0 | 0 | 113.3 | P35 K36 A37 V58 A61 A62 R253 A257 F314 V317 | P35-F39 WeakPolarHBondContact O-CD2 3.48Å; K36-F39 PolarHBondContact O-N 3.03Å; A37-F39 VanDerWaalsContact C-N 3.33Å; A37-F39 PolarHBondContact O-N 3.22Å; F39-V58 HydrophobicContact CD1-CG1 4.36Å; F39-V58 HydrophobicContact CE1-CG1 4.15Å; F39-A61 HydrophobicContact CE1-CB 4.14Å; F39-A61 HydrophobicContact CE2-CB 4.12Å; F39-A61 HydrophobicContact CZ-CB 3.75Å; F39-A62 HydrophobicContact CE1-CB 4.47Å; F39-A62 HydrophobicContact CZ-CB 4.32Å; F39-R253 HydrophobicContact CD2-CG 4.17Å; F39-R253 HydrophobicContact CE2-CG 3.91Å; F39-R253 HydrophobicContact CZ-CG 4.28Å; F39-A257 HydrophobicContact CD1-CB 3.61Å; F39-A257 HydrophobicContact CE1-CB 3.4Å; F39-A257 VanDerWaalsContact CE1-CB 3.4Å; F39-A257 HydrophobicContact CZ-CB 4.35Å; F39-F314 HydrophobicContact CB-CD1 4.33Å; F39-F314 HydrophobicContact CB-CE1 4.13Å; F39-F314 HydrophobicContact CG-CD1 4.49Å; F39-F314 HydrophobicContact CG-CE1 4.45Å; F39-V317 WeakPolarHBondContact O-CG1 3.14Å |
| 40 | L | 95.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -94.3 | -26.5 | -170.4 | -60.3 | 173.2 | 0 | 0 | 0 | 113.9 | K36 L290 H294 F314 V317 | K36-L40 HydrophobicContact CB-CD1 4.3Å; K36-L40 WeakPolarHBondContact O-CB 3.45Å; K36-L40 WeakPolarHBondContact O-CG 3.17Å; K36-L40 PolarHBondContact O-N 2.87Å; L40-L290 HydrophobicContact CD2-CB 4.3Å; L40-L290 HydrophobicContact CD2-CD2 4.47Å; L40-H294 HydrophobicContact CD1-CB 4.03Å; L40-F314 HydrophobicContact CD2-CE1 4.42Å; L40-V317 HydrophobicContact CD2-CG2 3.88Å |
| 41 | L | 94.5 | Very high | 94.4 | Very high | 98 Ų | 98 | 37.3 Ų | 37.3 | 51% | 0.513 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -117.4 | -52.7 | -176.3 | -58.5 | 178.6 | 0 | 0 | 0 | 111.9 | A37 L45 | A37-L41 HydrophobicContact CB-CD1 4.19Å; A37-L41 WeakPolarHBondContact O-CA 3.46Å; A37-L41 WeakPolarHBondContact O-CB 3.35Å; A37-L41 PolarHBondContact O-N 2.97Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.22Å |
| 42 | V | 96.4 | Very high | 94.5 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -73 | -41.5 | -173.4 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A37 L45 T46 V57 V121 M125 | A37-V42 PolarHBondContact O-N 2.8Å; V42-L45 PolarHBondContact O-N 3.16Å; V42-T46 HydrophobicContact CG1-CG2 3.91Å; V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 WeakPolarHBondContact O-CG2 3.03Å; V42-T46 PolarHBondContact O-N 3.48Å; V42-T46 PolarHBondContact O-OG1 3.35Å; V42-V57 HydrophobicContact CB-CG1 4.25Å; V42-V57 HydrophobicContact CG1-CG1 3.91Å; V42-V57 HydrophobicContact CG1-CG2 3.97Å; V42-V121 HydrophobicContact CB-CG1 4.46Å; V42-V121 HydrophobicContact CG1-CG1 3.92Å; V42-M125 HydrophobicContact CB-SD 4.45Å; V42-M125 HydrophobicContact CG1-CE 4.17Å; V42-M125 HydrophobicContact CG1-CG 3.99Å; V42-M125 HydrophobicContact CG1-SD 3.29Å; V42-M125 WeakPolarHBondContact CG1-SD 3.27Å; V42-M125 HydrophobicContact CG2-SD 4.33Å |
| 43 | F | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.5 | -52.2 | -179.7 | 163.7 | -122.2 | 0 | 0 | 0 | 113.2 | A38 L45 T46 Y47 G54 V57 V58 V317 P318 V321 M322 | A38-F43 VanDerWaalsContact O-CB 3.31Å; A38-F43 WeakPolarHBondContact O-CB 3.35Å; A38-F43 PolarHBondContact O-N 3.35Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.17Å; F43-T46 PolarHBondContact O-N 3.39Å; F43-T46 PolarHBondContact O-OG1 3.28Å; F43-Y47 HydrophobicContact CE2-CD2 4.22Å; F43-Y47 HydrophobicContact CE2-CG 4.45Å; F43-Y47 WeakPolarHBondContact O-CB 3.45Å; F43-Y47 PolarHBondContact O-N 2.93Å; F43-G54 WeakPolarHBondContact CD2-O 3.41Å; F43-V57 HydrophobicContact CB-CG1 4.09Å; F43-V58 HydrophobicContact CB-CG2 3.93Å; F43-V58 HydrophobicContact CD1-CG2 3.99Å; F43-V58 HydrophobicContact CD2-CG2 3.28Å; F43-V58 HydrophobicContact CE1-CG2 4.31Å; F43-V58 HydrophobicContact CE2-CG2 3.66Å; F43-V58 HydrophobicContact CG-CG2 3.45Å; F43-V58 VanDerWaalsContact CG-CG2 3.45Å; F43-V58 HydrophobicContact CZ-CG2 4.16Å; F43-V317 HydrophobicContact CD1-CG1 4.18Å; F43-V317 HydrophobicContact CE1-CG1 4.38Å; F43-P318 HydrophobicContact CE1-CB 4.36Å; F43-P318 HydrophobicContact CE1-CG 4.41Å; F43-P318 HydrophobicContact CZ-CB 4.35Å; F43-V321 HydrophobicContact CD1-CB 4.27Å; F43-V321 HydrophobicContact CD1-CG1 4.22Å; F43-V321 HydrophobicContact CD1-CG2 3.94Å; F43-V321 HydrophobicContact CE1-CB 3.5Å; F43-V321 HydrophobicContact CE1-CG1 3.65Å; F43-V321 HydrophobicContact CE1-CG2 3.6Å; F43-V321 HydrophobicContact CE2-CG1 4.37Å; F43-V321 HydrophobicContact CZ-CB 3.93Å; F43-V321 HydrophobicContact CZ-CG1 3.74Å; F43-V321 HydrophobicContact CZ-CG2 4.49Å; F43-M322 HydrophobicContact CZ-CG 4.05Å; F43-M322 HydrophobicContact CZ-SD 4.03Å |
| 44 | P | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.4 | -47.3 | 174.9 | -21.7 | 28.7 | 0 | 0 | 0 | 112.5 | T46 Y47 F48 L283 C286 L290 V321 | P44-T46 PolarHBondContact O-N 2.86Å; P44-Y47 PolarHBondContact O-N 3.25Å; P44-F48 WeakPolarHBondContact O-CD2 3.49Å; P44-F48 PolarHBondContact O-N 2.95Å; P44-L283 HydrophobicContact CB-CD1 3.93Å; P44-C286 HydrophobicContact CB-CB 4.27Å; P44-L290 HydrophobicContact CG-CD1 3.42Å; P44-L290 VanDerWaalsContact CG-CD1 3.42Å; P44-V321 HydrophobicContact CB-CG1 4.37Å; P44-V321 HydrophobicContact CB-CG2 4.19Å; P44-V321 HydrophobicContact CG-CG2 3.8Å |
| 45 | L | 96.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 33.6 Ų | 33.6 | 34% | 0.34 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.1 | -53.2 | 179.9 | 175.7 | 64.8 | 0 | 0 | 0 | 111.2 | L41 V42 F43 L49 M125 L283 | L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 3.22Å; V42-L45 PolarHBondContact O-N 3.16Å; F43-L45 VanDerWaalsContact C-N 3.34Å; F43-L45 PolarHBondContact O-N 3.17Å; L45-L49 HydrophobicContact CD1-CD1 4.06Å; L45-L49 HydrophobicContact CG-CD1 4.17Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.42Å; L45-M125 HydrophobicContact CD2-CE 4.42Å; L45-L283 HydrophobicContact CB-CD1 4.3Å; L45-L283 HydrophobicContact CD1-CD2 3.82Å |
| 46 | T | 96.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -69.8 | -35.9 | -177 | 51.9 | 0 | 0 | 0 | 0 | 112.5 | V42 F43 P44 L49 N50 T53 G54 V57 M125 | V42-T46 HydrophobicContact CG1-CG2 3.91Å; V42-T46 WeakPolarHBondContact O-CB 3.45Å; V42-T46 WeakPolarHBondContact O-CG2 3.03Å; V42-T46 PolarHBondContact O-N 3.48Å; V42-T46 PolarHBondContact O-OG1 3.35Å; F43-T46 PolarHBondContact O-N 3.39Å; F43-T46 PolarHBondContact O-OG1 3.28Å; P44-T46 PolarHBondContact O-N 2.86Å; T46-L49 PolarHBondContact O-N 3.31Å; T46-N50 CarbonylContact O-C 3.44Å; T46-N50 VanDerWaalsContact O-C 3.32Å; T46-N50 PolarHBondContact O-N 3.06Å; T46-T53 HydrophobicContact CG2-CG2 4.06Å; T46-G54 WeakPolarHBondContact OG1-CA 3.28Å; T46-V57 HydrophobicContact CG2-CG2 3.99Å; T46-M125 HydrophobicContact CG2-CE 4.4Å; T46-M125 HydrophobicContact CG2-CG 3.87Å; T46-M125 HydrophobicContact CG2-SD 4.49Å |
| 47 | Y | 96.1 | Very high | 95.8 | Very high | 19 Ų | 19 | 32.5 Ų | 32.5 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.3 | -179.1 | -95.3 | 0 | 0 | 0 | 112.3 | F43 P44 L49 N50 R51 F55 V321 M322 | F43-Y47 HydrophobicContact CE2-CD2 4.22Å; F43-Y47 HydrophobicContact CE2-CG 4.45Å; F43-Y47 WeakPolarHBondContact O-CB 3.45Å; F43-Y47 PolarHBondContact O-N 2.93Å; P44-Y47 PolarHBondContact O-N 3.25Å; Y47-L49 VanDerWaalsContact C-N 3.35Å; Y47-N50 CarbonylContact O-C 3.28Å; Y47-R51 HydrophobicContact CD2-CG 4.08Å; Y47-R51 HydrophobicContact CE2-CG 3.51Å; Y47-R51 PolarHBondContact O-N 3.31Å; Y47-F55 HydrophobicContact CE2-CE2 4.19Å; Y47-V321 HydrophobicContact CD1-CG1 3.91Å; Y47-V321 HydrophobicContact CG-CG1 4.07Å; Y47-M322 HydrophobicContact CD2-CG 4.13Å; Y47-M322 HydrophobicContact CE1-CG 4.17Å; Y47-M322 HydrophobicContact CE2-CB 4.44Å; Y47-M322 HydrophobicContact CE2-CE 4.13Å; Y47-M322 HydrophobicContact CE2-CG 3.58Å; Y47-M322 HydrophobicContact CE2-SD 4.13Å |
| 48 | F | 94.6 | Very high | 96 | Very high | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.8 | -25 | 179.8 | -68.3 | -58.6 | 0 | 0 | 0 | 113.5 | P44 R279 C282 L283 C286 V321 P326 | P44-F48 WeakPolarHBondContact O-CD2 3.49Å; P44-F48 PolarHBondContact O-N 2.95Å; F48-R279 WeakPolarHBondContact O-CD 3.32Å; F48-C282 HydrophobicContact CD1-CB 4.02Å; F48-C282 HydrophobicContact CD2-CB 4.45Å; F48-C282 HydrophobicContact CE1-CB 3.42Å; F48-C282 VanDerWaalsContact CE1-CB 3.42Å; F48-C282 HydrophobicContact CE2-CB 3.92Å; F48-C282 HydrophobicContact CZ-CB 3.39Å; F48-L283 HydrophobicContact CD2-CB 3.95Å; F48-L283 HydrophobicContact CD2-CD1 4.18Å; F48-C286 HydrophobicContact CE2-CB 4.22Å; F48-V321 HydrophobicContact CE2-CG1 4.31Å; F48-V321 HydrophobicContact CZ-CG1 4.4Å; F48-V321 WeakPolarHBondContact CZ-O 3.42Å; F48-P326 HydrophobicContact CE1-CG 3.87Å; F48-P326 HydrophobicContact CZ-CG 3.99Å |
| 49 | L | 92.7 | Very high | 96.1 | Very high | 113 Ų | 113 | 33 Ų | 33 | 59% | 0.592 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -75.5 | -50.7 | 170.8 | -68 | 174.4 | 0 | 0 | 0 | 111.4 | L45 T46 Y47 | L45-L49 HydrophobicContact CD1-CD1 4.06Å; L45-L49 HydrophobicContact CG-CD1 4.17Å; L45-L49 VanDerWaalsContact O-CG 3.27Å; L45-L49 WeakPolarHBondContact O-CG 3.32Å; L45-L49 PolarHBondContact O-N 3.42Å; T46-L49 PolarHBondContact O-N 3.31Å; Y47-L49 VanDerWaalsContact C-N 3.35Å |
| 50 | N | 93.4 | Very high | 96.2 | Very high | 72 Ų | 72 | 33 Ų | 33 | 39% | 0.385 | 16% | 0.156 | S | C | . | . | trans | -151.9 | 113 | -178.7 | -179.9 | -67.4 | 0 | 0 | 0 | 110.3 | T46 Y47 R52 T53 G54 | T46-N50 CarbonylContact O-C 3.44Å; T46-N50 VanDerWaalsContact O-C 3.32Å; T46-N50 PolarHBondContact O-N 3.06Å; Y47-N50 CarbonylContact O-C 3.28Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 3.49Å; N50-R52 WeakPolarHBondContact OD1-CB 3.4Å; N50-R52 PolarHBondContact OD1-N 2.99Å; N50-R52 VanDerWaalsContact OD1-N 3.16Å; N50-T53 WeakPolarHBondContact CB-OG1 3.42Å; N50-T53 VanDerWaalsContact CG-OG1 3.3Å; N50-T53 WeakPolarHBondContact O-CA 3.29Å; N50-T53 WeakPolarHBondContact O-CB 3.46Å; N50-T53 PolarHBondContact O-N 3.48Å; N50-T53 PolarHBondContact OD1-N 2.97Å; N50-T53 PolarHBondContact OD1-OG1 3.25Å; N50-G54 PolarHBondContact O-N 3.44Å | ||
| 51 | R | 93.9 | Very high | 96.4 | Very high | 77 Ų | 77 | 32.1 Ų | 32.1 | 29% | 0.291 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -50.5 | -48.9 | -176.2 | -162.1 | -179.9 | 81.6 | 160.6 | 16.9 | 112.9 | Y47 T53 G54 F55 E192 P269 G270 | Y47-R51 HydrophobicContact CD2-CG 4.08Å; Y47-R51 HydrophobicContact CE2-CG 3.51Å; Y47-R51 PolarHBondContact O-N 3.31Å; R51-T53 VanDerWaalsContact C-N 3.31Å; R51-T53 PolarHBondContact O-N 2.99Å; R51-G54 PolarHBondContact O-N 3.43Å; R51-G54 VanDerWaalsContact O-N 3.12Å; R51-F55 HydrophobicContact CG-CD2 4.32Å; R51-F55 HydrophobicContact CG-CE2 4.19Å; R51-F55 WeakPolarHBondContact O-CD2 3.17Å; R51-F55 PolarHBondContact O-N 3.29Å; R51-E192 IonicContact CZ-OE1 3.18Å; R51-E192 IonicContact NE-OE1 3.81Å; R51-E192 PolarHBondContact NE-OE1 2.74Å; R51-E192 IonicContact NH2-OE1 2.74Å; R51-E192 PolarHBondContact NH2-OE1 3.34Å; R51-P269 PolarHBondContact NH1-O 2.81Å; R51-P269 PolarHBondContact NH2-O 3.45Å; R51-G270 PolarHBondContact NH1-O 3.43Å |
| 52 | R | 95.2 | Very high | 96.5 | Very high | 140 Ų | 140 | 27.5 Ų | 27.5 | 53% | 0.528 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.3 | -39.9 | 179.2 | -173.8 | 170 | 177 | -176.1 | 0.5 | 112.4 | N50 F55 A56 V190 E192 | N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 3.49Å; N50-R52 WeakPolarHBondContact OD1-CB 3.4Å; N50-R52 PolarHBondContact OD1-N 2.99Å; N50-R52 VanDerWaalsContact OD1-N 3.16Å; R52-F55 PolarHBondContact O-N 3.31Å; R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.08Å; R52-V190 HydrophobicContact CG-CG1 4.28Å; R52-V190 HydrophobicContact CG-CG2 4.48Å; R52-E192 VanDerWaalsContact CA-OE2 3.28Å; R52-E192 WeakPolarHBondContact CA-OE2 3.36Å; R52-E192 WeakPolarHBondContact CB-OE2 3.35Å; R52-E192 WeakPolarHBondContact CG-OE2 3.32Å |
| 53 | T | 96.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 28.1 Ų | 28.1 | 9% | 0.086 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.4 | -52.5 | 0 | 0 | 0 | 0 | 110.6 | T46 N50 R51 A56 V57 V124 S128 | T46-T53 HydrophobicContact CG2-CG2 4.06Å; N50-T53 WeakPolarHBondContact CB-OG1 3.42Å; N50-T53 VanDerWaalsContact CG-OG1 3.3Å; N50-T53 WeakPolarHBondContact O-CA 3.29Å; N50-T53 WeakPolarHBondContact O-CB 3.46Å; N50-T53 PolarHBondContact O-N 3.48Å; N50-T53 PolarHBondContact OD1-N 2.97Å; N50-T53 PolarHBondContact OD1-OG1 3.25Å; R51-T53 VanDerWaalsContact C-N 3.31Å; R51-T53 PolarHBondContact O-N 2.99Å; T53-A56 WeakPolarHBondContact O-CB 3.36Å; T53-A56 PolarHBondContact O-N 3.12Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.08Å; T53-V124 HydrophobicContact CG2-CG1 3.93Å; T53-S128 PolarHBondContact OG1-OG 2.93Å |
| 54 | G | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.4 | -45.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F43 T46 N50 R51 A56 V57 V58 | F43-G54 WeakPolarHBondContact CD2-O 3.41Å; T46-G54 WeakPolarHBondContact OG1-CA 3.28Å; N50-G54 PolarHBondContact O-N 3.44Å; R51-G54 PolarHBondContact O-N 3.43Å; R51-G54 VanDerWaalsContact O-N 3.12Å; G54-A56 VanDerWaalsContact C-N 3.33Å; G54-A56 PolarHBondContact O-N 2.66Å; G54-V57 PolarHBondContact O-N 3.23Å; G54-V58 PolarHBondContact O-N 2.94Å |
| 55 | F | 97.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 28.5 Ų | 28.5 | 1% | 0.013 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.7 | -44.2 | 173.1 | -89.6 | -101.4 | 0 | 0 | 0 | 112 | Y47 R51 R52 V57 V58 W59 V190 E192 F199 L261 Q265 M322 | Y47-F55 HydrophobicContact CE2-CE2 4.19Å; R51-F55 HydrophobicContact CG-CD2 4.32Å; R51-F55 HydrophobicContact CG-CE2 4.19Å; R51-F55 WeakPolarHBondContact O-CD2 3.17Å; R51-F55 PolarHBondContact O-N 3.29Å; R52-F55 PolarHBondContact O-N 3.31Å; F55-V57 VanDerWaalsContact C-N 3.34Å; F55-V57 PolarHBondContact O-N 2.96Å; F55-V58 PolarHBondContact O-N 3.4Å; F55-W59 WeakPolarHBondContact O-CB 3.29Å; F55-W59 PolarHBondContact O-N 2.87Å; F55-V190 HydrophobicContact CB-CG1 3.69Å; F55-E192 HydrophobicContact CB-CB 4.44Å; F55-E192 HydrophobicContact CD1-CB 4.27Å; F55-E192 HydrophobicContact CD2-CG 4.41Å; F55-E192 HydrophobicContact CG-CB 4.24Å; F55-E192 HydrophobicContact CG-CG 4.41Å; F55-F199 HydrophobicContact CE1-CZ 4.35Å; F55-L261 HydrophobicContact CD1-CD1 3.71Å; F55-L261 HydrophobicContact CD1-CD2 3.74Å; F55-L261 HydrophobicContact CD1-CG 3.78Å; F55-L261 HydrophobicContact CD2-CD1 4.4Å; F55-L261 HydrophobicContact CE1-CD1 3.64Å; F55-L261 HydrophobicContact CE1-CD2 4.18Å; F55-L261 HydrophobicContact CE1-CG 3.71Å; F55-L261 HydrophobicContact CE2-CD1 4.37Å; F55-L261 HydrophobicContact CG-CD1 4.1Å; F55-L261 HydrophobicContact CG-CD2 4.45Å; F55-L261 HydrophobicContact CZ-CD1 4Å; F55-L261 HydrophobicContact CZ-CG 4.5Å; F55-Q265 HydrophobicContact CE1-CB 4.19Å; F55-Q265 HydrophobicContact CE1-CG 4.37Å; F55-Q265 HydrophobicContact CZ-CB 3.98Å; F55-Q265 HydrophobicContact CZ-CG 4.11Å; F55-M322 HydrophobicContact CE2-CE 3.64Å; F55-M322 HydrophobicContact CE2-SD 4.44Å; F55-M322 HydrophobicContact CZ-CE 3.46Å; F55-M322 VanDerWaalsContact CZ-CE 3.46Å; F55-M322 HydrophobicContact CZ-SD 4.45Å |
| 56 | A | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 3% | 0.033 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R52 T53 G54 V58 W59 V60 V124 V190 | R52-A56 WeakPolarHBondContact O-CB 3.35Å; R52-A56 PolarHBondContact O-N 3.08Å; T53-A56 WeakPolarHBondContact O-CB 3.36Å; T53-A56 PolarHBondContact O-N 3.12Å; G54-A56 VanDerWaalsContact C-N 3.33Å; G54-A56 PolarHBondContact O-N 2.66Å; A56-V58 PolarHBondContact O-N 3.41Å; A56-W59 PolarHBondContact O-N 2.96Å; A56-V60 VanDerWaalsContact O-CB 3.24Å; A56-V60 WeakPolarHBondContact O-CB 3.4Å; A56-V60 WeakPolarHBondContact O-CG2 3.37Å; A56-V60 PolarHBondContact O-N 3.31Å; A56-V124 HydrophobicContact CB-CG1 3.56Å; A56-V190 HydrophobicContact CB-CG1 4.12Å; A56-V190 HydrophobicContact CB-CG2 3.66Å |
| 57 | V | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 178 | 164.1 | 0 | 0 | 0 | 0 | 111.8 | V42 F43 T46 T53 G54 F55 A61 V121 V124 | V42-V57 HydrophobicContact CB-CG1 4.25Å; V42-V57 HydrophobicContact CG1-CG1 3.91Å; V42-V57 HydrophobicContact CG1-CG2 3.97Å; F43-V57 HydrophobicContact CB-CG1 4.09Å; T46-V57 HydrophobicContact CG2-CG2 3.99Å; T53-V57 WeakPolarHBondContact O-CG2 3.41Å; T53-V57 PolarHBondContact O-N 3.08Å; G54-V57 PolarHBondContact O-N 3.23Å; F55-V57 VanDerWaalsContact C-N 3.34Å; F55-V57 PolarHBondContact O-N 2.96Å; V57-A61 WeakPolarHBondContact O-CB 3.49Å; V57-A61 PolarHBondContact O-N 3.46Å; V57-V121 HydrophobicContact CG1-CG1 3.93Å; V57-V121 HydrophobicContact CG2-CG1 4.25Å; V57-V124 HydrophobicContact CG2-CG1 4.2Å |
| 58 | V | 98.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | -179.2 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | F39 F43 G54 F55 A56 A62 A257 L261 | F39-V58 HydrophobicContact CD1-CG1 4.36Å; F39-V58 HydrophobicContact CE1-CG1 4.15Å; F43-V58 HydrophobicContact CB-CG2 3.93Å; F43-V58 HydrophobicContact CD1-CG2 3.99Å; F43-V58 HydrophobicContact CD2-CG2 3.28Å; F43-V58 HydrophobicContact CE1-CG2 4.31Å; F43-V58 HydrophobicContact CE2-CG2 3.66Å; F43-V58 HydrophobicContact CG-CG2 3.45Å; F43-V58 VanDerWaalsContact CG-CG2 3.45Å; F43-V58 HydrophobicContact CZ-CG2 4.16Å; G54-V58 PolarHBondContact O-N 2.94Å; F55-V58 PolarHBondContact O-N 3.4Å; A56-V58 PolarHBondContact O-N 3.41Å; V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 2.99Å; V58-A257 HydrophobicContact CG1-CB 4.09Å; V58-L261 HydrophobicContact CB-CD2 4.05Å; V58-L261 HydrophobicContact CG1-CB 4.39Å; V58-L261 HydrophobicContact CG1-CD2 3.96Å |
| 59 | W | 98.1 | Very high | 96.7 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 179 | 177.9 | -115.6 | 0 | 0 | 0 | 112.3 | F55 A56 I63 Q189 P191 F198 I258 | F55-W59 WeakPolarHBondContact O-CB 3.29Å; F55-W59 PolarHBondContact O-N 2.87Å; A56-W59 PolarHBondContact O-N 2.96Å; W59-I63 HydrophobicContact CD2-CG1 4.06Å; W59-I63 HydrophobicContact CE3-CD1 4.44Å; W59-I63 HydrophobicContact CE3-CG1 4.12Å; W59-I63 HydrophobicContact CH2-CD1 3.86Å; W59-I63 HydrophobicContact CH2-CG1 4.07Å; W59-I63 HydrophobicContact CZ2-CD1 4.22Å; W59-I63 HydrophobicContact CZ2-CG1 4Å; W59-I63 HydrophobicContact CZ3-CD1 3.98Å; W59-I63 HydrophobicContact CZ3-CG1 4.13Å; W59-I63 WeakPolarHBondContact O-CG1 3.1Å; W59-I63 PolarHBondContact O-N 2.91Å; W59-I63 VanDerWaalsContact O-N 3.11Å; W59-Q189 PolarHBondContact NE1-O 3.43Å; W59-P191 HydrophobicContact CB-CG 4.15Å; W59-P191 HydrophobicContact CD2-CG 3.8Å; W59-P191 HydrophobicContact CE3-CG 3.95Å; W59-P191 HydrophobicContact CG-CG 3.89Å; W59-F198 HydrophobicContact CH2-CE1 4.24Å; W59-F198 HydrophobicContact CH2-CZ 4Å; W59-F198 HydrophobicContact CZ2-CZ 4.47Å; W59-F198 HydrophobicContact CZ3-CE1 4.27Å; W59-F198 HydrophobicContact CZ3-CZ 4.48Å; W59-I258 HydrophobicContact CE3-CD1 4.32Å; W59-I258 HydrophobicContact CZ3-CD1 4.16Å |
| 60 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | -179.8 | 175 | 0 | 0 | 0 | 0 | 111 | A56 S64 A120 V124 L186 | A56-V60 VanDerWaalsContact O-CB 3.24Å; A56-V60 WeakPolarHBondContact O-CB 3.4Å; A56-V60 WeakPolarHBondContact O-CG2 3.37Å; A56-V60 PolarHBondContact O-N 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.32Å; V60-S64 PolarHBondContact O-OG 3.17Å; V60-A120 HydrophobicContact CG1-CB 3.53Å; V60-V124 HydrophobicContact CB-CG2 4.14Å; V60-V124 HydrophobicContact CG1-CG2 4.24Å; V60-V124 HydrophobicContact CG2-CG2 3.74Å; V60-L186 HydrophobicContact CG2-CB 3.66Å |
| 61 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.7 | -53.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A38 F39 V57 I63 S64 E65 V117 V121 | A38-A61 HydrophobicContact CB-CB 3.86Å; F39-A61 HydrophobicContact CE1-CB 4.14Å; F39-A61 HydrophobicContact CE2-CB 4.12Å; F39-A61 HydrophobicContact CZ-CB 3.75Å; V57-A61 WeakPolarHBondContact O-CB 3.49Å; V57-A61 PolarHBondContact O-N 3.46Å; A61-I63 PolarHBondContact O-N 3.45Å; A61-S64 PolarHBondContact O-N 3.4Å; A61-E65 VanDerWaalsContact O-CB 3.29Å; A61-E65 WeakPolarHBondContact O-CB 3.48Å; A61-E65 PolarHBondContact O-N 3.47Å; A61-V117 HydrophobicContact CB-CG1 4.38Å; A61-V121 HydrophobicContact CB-CG2 3.7Å |
| 62 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F39 V58 W66 D254 I258 | F39-A62 HydrophobicContact CE1-CB 4.47Å; F39-A62 HydrophobicContact CZ-CB 4.32Å; V58-A62 WeakPolarHBondContact O-CB 3.42Å; V58-A62 PolarHBondContact O-N 2.99Å; A62-W66 VanDerWaalsContact O-CB 3.29Å; A62-W66 WeakPolarHBondContact O-CB 3.29Å; A62-W66 PolarHBondContact O-N 2.89Å; A62-D254 WeakPolarHBondContact CA-OD1 3.4Å; A62-D254 HydrophobicContact CB-CB 3.94Å; A62-I258 HydrophobicContact CB-CD1 3.65Å; A62-I258 HydrophobicContact CB-CG1 3.77Å |
| 63 | I | 98 | Very high | 96.8 | Very high | 30 Ų | 30 | 14.2 Ų | 14.2 | 15% | 0.154 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -70.7 | -37.7 | 178.3 | -59.6 | -62 | 0 | 0 | 0 | 111.5 | W59 A61 L67 L186 L206 I258 | W59-I63 HydrophobicContact CD2-CG1 4.06Å; W59-I63 HydrophobicContact CE3-CD1 4.44Å; W59-I63 HydrophobicContact CE3-CG1 4.12Å; W59-I63 HydrophobicContact CH2-CD1 3.86Å; W59-I63 HydrophobicContact CH2-CG1 4.07Å; W59-I63 HydrophobicContact CZ2-CD1 4.22Å; W59-I63 HydrophobicContact CZ2-CG1 4Å; W59-I63 HydrophobicContact CZ3-CD1 3.98Å; W59-I63 HydrophobicContact CZ3-CG1 4.13Å; W59-I63 WeakPolarHBondContact O-CG1 3.1Å; W59-I63 PolarHBondContact O-N 2.91Å; W59-I63 VanDerWaalsContact O-N 3.11Å; A61-I63 PolarHBondContact O-N 3.45Å; I63-L67 WeakPolarHBondContact O-CB 3.47Å; I63-L67 PolarHBondContact O-N 2.95Å; I63-L186 HydrophobicContact CB-CD1 3.8Å; I63-L186 HydrophobicContact CG2-CD1 3.68Å; I63-L186 HydrophobicContact CG2-CD2 4.26Å; I63-L206 HydrophobicContact CD1-CD1 4.05Å; I63-L206 HydrophobicContact CD1-CD2 3.94Å; I63-L206 HydrophobicContact CD1-CG 4.5Å; I63-I258 HydrophobicContact CD1-CD1 4.44Å |
| 64 | S | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.5 | -38.9 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 112.1 | V60 A61 L67 N68 M116 A120 | V60-S64 WeakPolarHBondContact O-CB 3.43Å; V60-S64 PolarHBondContact O-N 3.32Å; V60-S64 PolarHBondContact O-OG 3.17Å; A61-S64 PolarHBondContact O-N 3.4Å; S64-L67 PolarHBondContact O-N 2.9Å; S64-N68 WeakPolarHBondContact O-CB 3.05Å; S64-N68 PolarHBondContact O-N 3.47Å; S64-M116 WeakPolarHBondContact O-CE 3.43Å; S64-A120 WeakPolarHBondContact OG-CB 3.14Å |
| 65 | E | 96.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 23.6 Ų | 23.6 | 4% | 0.042 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.2 | -42.3 | 177.2 | -176.9 | 149.6 | -123.8 | 0 | 0 | 112 | P35 A61 L67 N68 L69 V117 R253 D254 | P35-E65 WeakPolarHBondContact CB-OE1 3.37Å; P35-E65 VanDerWaalsContact CG-OE1 3.3Å; P35-E65 WeakPolarHBondContact CG-OE1 3.46Å; A61-E65 VanDerWaalsContact O-CB 3.29Å; A61-E65 WeakPolarHBondContact O-CB 3.48Å; A61-E65 PolarHBondContact O-N 3.47Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.23Å; E65-N68 WeakPolarHBondContact O-CB 3.47Å; E65-N68 PolarHBondContact O-N 3.34Å; E65-L69 PolarHBondContact O-N 2.69Å; E65-V117 HydrophobicContact CB-CG2 3.91Å; E65-R253 IonicContact OE1-CZ 3.23Å; E65-R253 IonicContact OE1-NH2 2.87Å; E65-R253 PolarHBondContact OE1-NH2 2.95Å; E65-R253 IonicContact OE2-CZ 3.95Å; E65-R253 IonicContact OE2-NE 3.91Å; E65-R253 PolarHBondContact OE2-NE 3.39Å; E65-R253 IonicContact OE2-NH2 2.86Å; E65-R253 PolarHBondContact OE2-NH2 3.44Å; E65-D254 WeakPolarHBondContact CB-OD2 3.49Å; E65-D254 WeakPolarHBondContact CG-OD2 3.21Å |
| 66 | W | 97.3 | Very high | 96.1 | Very high | 38 Ų | 38 | 26.2 Ų | 26.2 | 14% | 0.144 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.9 | -43.2 | 171.5 | -178.4 | 92.9 | 0 | 0 | 0 | 112.4 | A62 N68 L69 V70 L206 S209 I213 D254 | A62-W66 VanDerWaalsContact O-CB 3.29Å; A62-W66 WeakPolarHBondContact O-CB 3.29Å; A62-W66 PolarHBondContact O-N 2.89Å; W66-N68 VanDerWaalsContact C-N 3.35Å; W66-N68 PolarHBondContact O-N 3.12Å; W66-L69 WeakPolarHBondContact O-CB 3.38Å; W66-L69 PolarHBondContact O-N 3.35Å; W66-V70 HydrophobicContact CD2-CG2 4.2Å; W66-V70 HydrophobicContact CE3-CG2 4.21Å; W66-V70 HydrophobicContact CH2-CG2 3.75Å; W66-V70 HydrophobicContact CZ2-CG2 3.72Å; W66-V70 HydrophobicContact CZ3-CG2 4Å; W66-V70 PolarHBondContact O-N 2.87Å; W66-V70 VanDerWaalsContact O-N 3.08Å; W66-L206 HydrophobicContact CB-CD2 4.23Å; W66-L206 HydrophobicContact CD2-CD2 3.67Å; W66-L206 HydrophobicContact CE3-CD2 4.23Å; W66-L206 HydrophobicContact CG-CB 4.42Å; W66-L206 HydrophobicContact CG-CD2 3.63Å; W66-L206 HydrophobicContact CG-CG 4.42Å; W66-L206 PolarHBondContact NE1-O 3.24Å; W66-S209 WeakPolarHBondContact CZ2-OG 3.46Å; W66-I213 HydrophobicContact CH2-CD1 4.43Å; W66-I213 HydrophobicContact CZ2-CD1 4.35Å; W66-D254 PolarHBondContact N-OD2 3.22Å |
| 67 | L | 97.3 | Very high | 95.9 | Very high | 39 Ų | 39 | 26.3 Ų | 26.3 | 20% | 0.204 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.4 | -36.3 | 177.2 | -167.6 | 69.3 | 0 | 0 | 0 | 111.6 | I63 S64 E65 L69 V70 F71 M116 L182 | I63-L67 WeakPolarHBondContact O-CB 3.47Å; I63-L67 PolarHBondContact O-N 2.95Å; S64-L67 PolarHBondContact O-N 2.9Å; E65-L67 VanDerWaalsContact C-N 3.34Å; E65-L67 PolarHBondContact O-N 3.23Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.32Å; L67-V70 PolarHBondContact O-N 2.9Å; L67-F71 HydrophobicContact CD1-CE1 4.02Å; L67-F71 HydrophobicContact CD1-CE2 4.19Å; L67-F71 HydrophobicContact CD1-CZ 3.8Å; L67-F71 HydrophobicContact CD2-CD2 4.4Å; L67-F71 HydrophobicContact CD2-CE2 3.51Å; L67-F71 HydrophobicContact CD2-CZ 3.67Å; L67-F71 HydrophobicContact CG-CD2 4Å; L67-F71 HydrophobicContact CG-CE1 4.24Å; L67-F71 HydrophobicContact CG-CE2 3.52Å; L67-F71 HydrophobicContact CG-CZ 3.65Å; L67-F71 WeakPolarHBondContact O-CG 3.2Å; L67-F71 PolarHBondContact O-N 3.47Å; L67-M116 HydrophobicContact CB-CE 4.01Å; L67-M116 HydrophobicContact CD2-CE 4.07Å; L67-M116 HydrophobicContact CG-CE 4.23Å; L67-L182 HydrophobicContact CD2-CD1 3.88Å; L67-L182 HydrophobicContact CD2-CD2 3.99Å; L67-L182 HydrophobicContact CD2-CG 4.41Å |
| 68 | N | 96.8 | Very high | 95.8 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.1 | -43.3 | 173 | -175.5 | -107 | 0 | 0 | 0 | 111.5 | S64 E65 W66 F71 K72 P111 G113 M116 | S64-N68 WeakPolarHBondContact O-CB 3.05Å; S64-N68 PolarHBondContact O-N 3.47Å; E65-N68 WeakPolarHBondContact O-CB 3.47Å; E65-N68 PolarHBondContact O-N 3.34Å; W66-N68 VanDerWaalsContact C-N 3.35Å; W66-N68 PolarHBondContact O-N 3.12Å; N68-F71 PolarHBondContact O-N 2.87Å; N68-K72 WeakPolarHBondContact O-CB 3.23Å; N68-K72 VanDerWaalsContact O-CG 3.32Å; N68-K72 WeakPolarHBondContact O-CG 3.39Å; N68-K72 PolarHBondContact O-N 3.06Å; N68-K72 WeakPolarHBondContact OD1-CD 3.36Å; N68-K72 WeakPolarHBondContact OD1-CE 3.33Å; N68-K72 PolarHBondContact OD1-NZ 2.72Å; N68-P111 PolarHBondContact ND2-O 2.95Å; N68-G113 VanDerWaalsContact CG-CA 3.47Å; N68-G113 WeakPolarHBondContact ND2-CA 3.37Å; N68-G113 PolarHBondContact ND2-N 2.83Å; N68-G113 VanDerWaalsContact OD1-CA 3.3Å; N68-G113 WeakPolarHBondContact OD1-CA 3.03Å; N68-M116 HydrophobicContact CB-CE 4.32Å; N68-M116 HydrophobicContact CB-SD 3.68Å |
| 69 | L | 94.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 28.9 Ų | 28.9 | 4% | 0.042 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.5 | -50 | 176.2 | 172.4 | 67.2 | 0 | 0 | 0 | 111.4 | E65 W66 L67 K72 W73 P247 L251 | E65-L69 PolarHBondContact O-N 2.69Å; W66-L69 WeakPolarHBondContact O-CB 3.38Å; W66-L69 PolarHBondContact O-N 3.35Å; L67-L69 VanDerWaalsContact C-N 3.29Å; L67-L69 PolarHBondContact O-N 3.32Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 2.94Å; L69-W73 HydrophobicContact CD1-CD2 4.3Å; L69-W73 HydrophobicContact CD1-CH2 3.99Å; L69-W73 HydrophobicContact CD1-CZ2 3.49Å; L69-W73 VanDerWaalsContact CD1-CZ2 3.49Å; L69-W73 HydrophobicContact CD2-CH2 3.75Å; L69-W73 HydrophobicContact CD2-CZ2 4.09Å; L69-W73 HydrophobicContact CD2-CZ3 4.25Å; L69-W73 HydrophobicContact CG-CD2 4.39Å; L69-W73 HydrophobicContact CG-CE3 4.33Å; L69-W73 HydrophobicContact CG-CH2 3.78Å; L69-W73 HydrophobicContact CG-CZ2 3.83Å; L69-W73 HydrophobicContact CG-CZ3 4.03Å; L69-W73 PolarHBondContact O-N 3.43Å; L69-P247 HydrophobicContact CD1-CB 3.43Å; L69-P247 VanDerWaalsContact CD1-CB 3.43Å; L69-P247 HydrophobicContact CD1-CG 4.43Å; L69-L251 HydrophobicContact CD2-CB 3.91Å; L69-L251 HydrophobicContact CD2-CD1 4.37Å |
| 70 | V | 95 | Very high | 95.5 | Very high | 15 Ų | 15 | 27.8 Ų | 27.8 | 9% | 0.091 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.3 | -48.1 | 177.6 | 173 | 0 | 0 | 0 | 0 | 110.9 | W66 L67 K72 W73 M74 I213 | W66-V70 HydrophobicContact CD2-CG2 4.2Å; W66-V70 HydrophobicContact CE3-CG2 4.21Å; W66-V70 HydrophobicContact CH2-CG2 3.75Å; W66-V70 HydrophobicContact CZ2-CG2 3.72Å; W66-V70 HydrophobicContact CZ3-CG2 4Å; W66-V70 PolarHBondContact O-N 2.87Å; W66-V70 VanDerWaalsContact O-N 3.08Å; L67-V70 PolarHBondContact O-N 2.9Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 2.87Å; V70-W73 PolarHBondContact O-N 2.75Å; V70-W73 VanDerWaalsContact O-N 3.17Å; V70-M74 HydrophobicContact CG1-CG 4.34Å; V70-M74 VanDerWaalsContact O-CG 3.31Å; V70-M74 WeakPolarHBondContact O-CG 3.47Å; V70-M74 PolarHBondContact O-N 3.04Å; V70-I213 HydrophobicContact CG1-CD1 4.04Å; V70-I213 HydrophobicContact CG2-CD1 3.87Å |
| 71 | F | 95.7 | Very high | 95.3 | Very high | 69 Ų | 69 | 28 Ų | 28 | 30% | 0.303 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 178.6 | -68.6 | -24.4 | 0 | 0 | 0 | 113.1 | L67 N68 W73 M74 L75 P111 M116 T178 | L67-F71 HydrophobicContact CD1-CE1 4.02Å; L67-F71 HydrophobicContact CD1-CE2 4.19Å; L67-F71 HydrophobicContact CD1-CZ 3.8Å; L67-F71 HydrophobicContact CD2-CD2 4.4Å; L67-F71 HydrophobicContact CD2-CE2 3.51Å; L67-F71 HydrophobicContact CD2-CZ 3.67Å; L67-F71 HydrophobicContact CG-CD2 4Å; L67-F71 HydrophobicContact CG-CE1 4.24Å; L67-F71 HydrophobicContact CG-CE2 3.52Å; L67-F71 HydrophobicContact CG-CZ 3.65Å; L67-F71 WeakPolarHBondContact O-CG 3.2Å; L67-F71 PolarHBondContact O-N 3.47Å; N68-F71 PolarHBondContact O-N 2.87Å; F71-W73 VanDerWaalsContact C-N 3.32Å; F71-W73 PolarHBondContact O-N 2.73Å; F71-M74 PolarHBondContact O-N 3.39Å; F71-L75 HydrophobicContact CB-CD1 4.22Å; F71-L75 VanDerWaalsContact O-CB 3.26Å; F71-L75 WeakPolarHBondContact O-CB 3.34Å; F71-L75 VanDerWaalsContact O-CG 3.26Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 2.87Å; F71-P111 HydrophobicContact CB-CG 4.24Å; F71-P111 HydrophobicContact CD2-CG 4.29Å; F71-M116 HydrophobicContact CD2-CE 4.44Å; F71-M116 HydrophobicContact CE2-CE 4.48Å; F71-T178 HydrophobicContact CE2-CG2 3.9Å |
| 72 | K | 93.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 28 Ų | 28 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -41.3 | 174.3 | -81.9 | 175.1 | 172.7 | 166.7 | 0 | 112.6 | N68 L69 V70 M74 F76 P108 S110 P111 | N68-K72 WeakPolarHBondContact O-CB 3.23Å; N68-K72 VanDerWaalsContact O-CG 3.32Å; N68-K72 WeakPolarHBondContact O-CG 3.39Å; N68-K72 PolarHBondContact O-N 3.06Å; N68-K72 WeakPolarHBondContact OD1-CD 3.36Å; N68-K72 WeakPolarHBondContact OD1-CE 3.33Å; N68-K72 PolarHBondContact OD1-NZ 2.72Å; L69-K72 WeakPolarHBondContact O-CB 3.29Å; L69-K72 PolarHBondContact O-N 2.94Å; V70-K72 VanDerWaalsContact C-N 3.3Å; V70-K72 PolarHBondContact O-N 2.87Å; K72-M74 VanDerWaalsContact C-N 3.34Å; K72-F76 PolarHBondContact O-N 3.4Å; K72-P108 HydrophobicContact CB-CB 4.07Å; K72-P108 HydrophobicContact CB-CG 4.28Å; K72-P108 WeakPolarHBondContact CD-O 3.41Å; K72-P108 WeakPolarHBondContact CE-O 3.49Å; K72-P108 HydrophobicContact CG-CB 4.38Å; K72-P108 WeakPolarHBondContact O-CB 3.15Å; K72-P108 WeakPolarHBondContact O-CG 3.39Å; K72-S110 VanDerWaalsContact CA-O 3.29Å; K72-S110 WeakPolarHBondContact CA-O 3.35Å; K72-S110 WeakPolarHBondContact CG-O 3.33Å; K72-P111 WeakPolarHBondContact CE-O 3.33Å |
| 73 | W | 92.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.027 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.3 | -33.4 | 174.9 | -65.4 | -33.1 | 0 | 0 | 0 | 112.8 | L69 V70 F71 F76 A210 I213 H214 L217 L224 P247 | L69-W73 HydrophobicContact CD1-CD2 4.3Å; L69-W73 HydrophobicContact CD1-CH2 3.99Å; L69-W73 HydrophobicContact CD1-CZ2 3.49Å; L69-W73 VanDerWaalsContact CD1-CZ2 3.49Å; L69-W73 HydrophobicContact CD2-CH2 3.75Å; L69-W73 HydrophobicContact CD2-CZ2 4.09Å; L69-W73 HydrophobicContact CD2-CZ3 4.25Å; L69-W73 HydrophobicContact CG-CD2 4.39Å; L69-W73 HydrophobicContact CG-CE3 4.33Å; L69-W73 HydrophobicContact CG-CH2 3.78Å; L69-W73 HydrophobicContact CG-CZ2 3.83Å; L69-W73 HydrophobicContact CG-CZ3 4.03Å; L69-W73 PolarHBondContact O-N 3.43Å; V70-W73 PolarHBondContact O-N 2.75Å; V70-W73 VanDerWaalsContact O-N 3.17Å; F71-W73 VanDerWaalsContact C-N 3.32Å; F71-W73 PolarHBondContact O-N 2.73Å; W73-F76 WeakPolarHBondContact O-CD2 3.35Å; W73-F76 WeakPolarHBondContact O-CE2 3.37Å; W73-F76 WeakPolarHBondContact O-CZ 3.37Å; W73-A210 HydrophobicContact CH2-CB 4.12Å; W73-A210 HydrophobicContact CZ3-CB 4.05Å; W73-A210 WeakPolarHBondContact CZ3-O 3.45Å; W73-I213 HydrophobicContact CE3-CG2 4.04Å; W73-I213 HydrophobicContact CZ3-CG2 4.5Å; W73-H214 HydrophobicContact CH2-CB 4.14Å; W73-H214 HydrophobicContact CZ2-CB 4.5Å; W73-H214 AromaticContact CZ2-CD2 3.86Å; W73-H214 HydrophobicContact CZ3-CB 4.24Å; W73-L217 HydrophobicContact CB-CD1 3.71Å; W73-L224 HydrophobicContact CB-CD2 4.23Å; W73-L224 HydrophobicContact CG-CD2 4.33Å; W73-P247 HydrophobicContact CZ2-CB 4.17Å |
| 74 | M | 92.6 | Very high | 94.8 | Very high | 106 Ų | 106 | 29.2 Ų | 29.2 | 52% | 0.522 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -81.8 | -32.6 | -178.4 | -63.2 | -63.1 | -68.7 | 0 | 0 | 113.5 | V70 F71 K72 F76 L217 | V70-M74 HydrophobicContact CG1-CG 4.34Å; V70-M74 VanDerWaalsContact O-CG 3.31Å; V70-M74 WeakPolarHBondContact O-CG 3.47Å; V70-M74 PolarHBondContact O-N 3.04Å; F71-M74 PolarHBondContact O-N 3.39Å; K72-M74 VanDerWaalsContact C-N 3.34Å; M74-F76 WeakPolarHBondContact O-CD2 3.48Å; M74-L217 HydrophobicContact SD-CD1 3.96Å; M74-L217 HydrophobicContact SD-CD2 3.92Å; M74-L217 HydrophobicContact SD-CG 4.4Å |
| 75 | L | 93.4 | Very high | 94.5 | Very high | 104 Ų | 104 | 30.2 Ų | 30.2 | 55% | 0.545 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -97.1 | -12.5 | -170.4 | -63.9 | 176.7 | 0 | 0 | 0 | 114.4 | F71 G77 | F71-L75 HydrophobicContact CB-CD1 4.22Å; F71-L75 VanDerWaalsContact O-CB 3.26Å; F71-L75 WeakPolarHBondContact O-CB 3.34Å; F71-L75 VanDerWaalsContact O-CG 3.26Å; F71-L75 WeakPolarHBondContact O-CG 3.35Å; F71-L75 PolarHBondContact O-N 2.87Å; L75-G77 PolarHBondContact O-N 3.18Å |
| 76 | F | 91.1 | Very high | 94.4 | Very high | 59 Ų | 59 | 33.3 Ų | 33.3 | 26% | 0.259 | 17% | 0.165 | S | C | . | . | trans | 45.9 | 43 | 176.2 | -64 | -93.5 | 0 | 0 | 0 | 114 | K72 W73 M74 F222 L224 W226 | K72-F76 PolarHBondContact O-N 3.4Å; W73-F76 WeakPolarHBondContact O-CD2 3.35Å; W73-F76 WeakPolarHBondContact O-CE2 3.37Å; W73-F76 WeakPolarHBondContact O-CZ 3.37Å; M74-F76 WeakPolarHBondContact O-CD2 3.48Å; F76-F222 HydrophobicContact CE1-CB 4.2Å; F76-F222 HydrophobicContact CE1-CD1 4.14Å; F76-F222 AromaticContact CE2-CD1 3.79Å; F76-F222 HydrophobicContact CE2-CD1 3.79Å; F76-F222 HydrophobicContact CE2-CE1 4.13Å; F76-F222 HydrophobicContact CE2-CG 4.31Å; F76-F222 HydrophobicContact CZ-CB 3.71Å; F76-F222 AromaticContact CZ-CD1 3.46Å; F76-F222 HydrophobicContact CZ-CD1 3.46Å; F76-F222 VanDerWaalsContact CZ-CD1 3.46Å; F76-F222 HydrophobicContact CZ-CE1 4.26Å; F76-F222 AromaticContact CZ-CG 3.72Å; F76-F222 HydrophobicContact CZ-CG 3.72Å; F76-L224 HydrophobicContact CE1-CD2 4.13Å; F76-L224 HydrophobicContact CZ-CD2 4.08Å; F76-W226 HydrophobicContact CB-CZ2 4.25Å; F76-W226 AromaticContact CD1-NE1 3.46Å | ||
| 77 | G | 93.5 | Very high | 94.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | trans | -69.2 | 134 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | L75 G109 S110 | L75-G77 PolarHBondContact O-N 3.18Å; G77-G109 PolarHBondContact O-N 3.07Å; G77-S110 WeakPolarHBondContact CA-OG 3.41Å | ||
| 78 | E | 95.2 | Very high | 93.7 | Very high | 52 Ų | 52 | 40.1 Ų | 40.1 | 24% | 0.243 | 19% | 0.192 | C | C | . | . | trans | -69.4 | 161.6 | 171.1 | -65 | -68 | 177.5 | 0 | 0 | 112.3 | W82 W83 F168 Q171 | E78-W82 VanDerWaalsContact OE2-CD1 3.25Å; E78-W82 PolarHBondContact OE2-NE1 3.43Å; E78-W83 HydrophobicContact CB-CB 4.38Å; E78-W83 HydrophobicContact CB-CG 4.33Å; E78-F168 HydrophobicContact CB-CE2 4.21Å; E78-Q171 PolarHBondContact O-NE2 3.23Å | ||
| 79 | R | 95.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | trans | -119.2 | 148 | 170 | -67.1 | -174.7 | -173.8 | -117.2 | 13.4 | 111.4 | F81 W82 W83 E105 G107 A166 | R79-F81 VanDerWaalsContact C-N 3.33Å; R79-F81 HydrophobicContact CB-CD1 3.98Å; R79-F81 HydrophobicContact CB-CE1 4.07Å; R79-F81 PolarHBondContact O-N 3.17Å; R79-W82 HydrophobicContact CB-CD2 3.81Å; R79-W82 HydrophobicContact CB-CE3 4.06Å; R79-W82 HydrophobicContact CB-CH2 3.78Å; R79-W82 HydrophobicContact CB-CZ2 3.52Å; R79-W82 HydrophobicContact CB-CZ3 4.03Å; R79-W82 VanDerWaalsContact CD-CZ3 3.48Å; R79-W82 HydrophobicContact CG-CH2 3.38Å; R79-W82 HydrophobicContact CG-CZ2 3.37Å; R79-W82 HydrophobicContact CG-CZ3 3.98Å; R79-W82 PolarHBondContact O-N 3.25Å; R79-W83 WeakPolarHBondContact O-CB 3.18Å; R79-W83 PolarHBondContact O-N 2.93Å; R79-E105 VanDerWaalsContact CZ-CB 3.43Å; R79-E105 IonicContact CZ-OE2 3.41Å; R79-E105 VanDerWaalsContact CZ-OE2 3.23Å; R79-E105 IonicContact NH1-OE2 3.36Å; R79-E105 PolarHBondContact NH1-OE2 2.96Å; R79-E105 VanDerWaalsContact NH2-CB 3.27Å; R79-E105 IonicContact NH2-OE2 3.08Å; R79-E105 PolarHBondContact NH2-OE2 3.14Å; R79-G107 VanDerWaalsContact CZ-O 3.26Å; R79-G107 PolarHBondContact NE-O 3.27Å; R79-G107 PolarHBondContact NH2-O 3.32Å; R79-A166 WeakPolarHBondContact CD-O 3.46Å; R79-A166 WeakPolarHBondContact CG-O 3.3Å; R79-A166 PolarHBondContact NH1-O 2.7Å | ||
| 80 | P | 95.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.019 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.2 | -46.7 | -178.3 | -24.8 | 30.2 | 0 | 0 | 0 | 113.6 | W82 W83 I84 L165 F168 | P80-W82 VanDerWaalsContact C-N 3.31Å; P80-W82 PolarHBondContact O-N 3.19Å; P80-W83 PolarHBondContact O-N 2.89Å; P80-I84 WeakPolarHBondContact O-CD1 3.21Å; P80-I84 VanDerWaalsContact O-CG1 3.24Å; P80-I84 WeakPolarHBondContact O-CG1 3.16Å; P80-I84 PolarHBondContact O-N 3.23Å; P80-L165 HydrophobicContact CB-CB 4.16Å; P80-L165 HydrophobicContact CB-CD2 4.25Å; P80-L165 WeakPolarHBondContact CD-O 3.06Å; P80-F168 HydrophobicContact CB-CE1 4.11Å; P80-F168 HydrophobicContact CB-CZ 4.21Å; P80-F168 HydrophobicContact CG-CD1 3.86Å; P80-F168 HydrophobicContact CG-CD2 4.13Å; P80-F168 HydrophobicContact CG-CE1 3.88Å; P80-F168 HydrophobicContact CG-CE2 4.14Å; P80-F168 HydrophobicContact CG-CG 4Å; P80-F168 HydrophobicContact CG-CZ 4.03Å |
| 81 | F | 94.2 | Very high | 92.5 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -28.5 | -170.6 | 79.9 | -93.7 | 0 | 0 | 0 | 114.9 | R79 T103 L165 A231 W234 | R79-F81 VanDerWaalsContact C-N 3.33Å; R79-F81 HydrophobicContact CB-CD1 3.98Å; R79-F81 HydrophobicContact CB-CE1 4.07Å; R79-F81 PolarHBondContact O-N 3.17Å; F81-T103 HydrophobicContact CB-CG2 3.58Å; F81-T103 HydrophobicContact CD1-CG2 3.8Å; F81-T103 HydrophobicContact CD2-CG2 4.38Å; F81-T103 VanDerWaalsContact CE1-O 3.29Å; F81-T103 WeakPolarHBondContact CE1-O 3.38Å; F81-T103 HydrophobicContact CG-CG2 3.69Å; F81-L165 HydrophobicContact CB-CB 4.08Å; F81-L165 PolarHBondContact N-O 3.47Å; F81-A231 HydrophobicContact CZ-CB 4.19Å; F81-W234 HydrophobicContact CD2-CB 4.24Å; F81-W234 HydrophobicContact CE2-CB 4.41Å |
| 82 | W | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -97.5 | -29.5 | 173.4 | 61.8 | 65.4 | 0 | 0 | 0 | 112.8 | E78 R79 P80 I84 G85 E86 E105 W226 L230 A231 W234 | E78-W82 VanDerWaalsContact OE2-CD1 3.25Å; E78-W82 PolarHBondContact OE2-NE1 3.43Å; R79-W82 HydrophobicContact CB-CD2 3.81Å; R79-W82 HydrophobicContact CB-CE3 4.06Å; R79-W82 HydrophobicContact CB-CH2 3.78Å; R79-W82 HydrophobicContact CB-CZ2 3.52Å; R79-W82 HydrophobicContact CB-CZ3 4.03Å; R79-W82 VanDerWaalsContact CD-CZ3 3.48Å; R79-W82 HydrophobicContact CG-CH2 3.38Å; R79-W82 HydrophobicContact CG-CZ2 3.37Å; R79-W82 HydrophobicContact CG-CZ3 3.98Å; R79-W82 PolarHBondContact O-N 3.25Å; P80-W82 VanDerWaalsContact C-N 3.31Å; P80-W82 PolarHBondContact O-N 3.19Å; W82-I84 VanDerWaalsContact C-N 3.31Å; W82-I84 PolarHBondContact O-N 3.32Å; W82-G85 PolarHBondContact O-N 3.33Å; W82-G85 VanDerWaalsContact O-N 3.15Å; W82-E86 PolarHBondContact O-N 3.38Å; W82-E105 WeakPolarHBondContact CZ3-O 3.43Å; W82-W226 HydrophobicContact CZ2-CH2 4.41Å; W82-L230 HydrophobicContact CB-CB 4.21Å; W82-L230 HydrophobicContact CD2-CB 3.98Å; W82-L230 HydrophobicContact CE3-CB 4.21Å; W82-L230 HydrophobicContact CG-CB 3.99Å; W82-L230 HydrophobicContact CG-CD1 4.29Å; W82-A231 HydrophobicContact CE3-CB 4.3Å; W82-A231 HydrophobicContact CZ3-CB 4.03Å; W82-W234 HydrophobicContact CB-CB 3.69Å; W82-W234 VanDerWaalsContact CB-CD1 3.49Å; W82-W234 HydrophobicContact CB-CG 3.72Å |
| 83 | W | 95.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 7% | 0.072 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.3 | -31.5 | -177.7 | -171 | 80.3 | 0 | 0 | 0 | 112.6 | E2 H5 I9 E78 R79 P80 G85 E86 S87 L89 F90 F168 | E2-W83 HydrophobicContact CB-CZ2 4.31Å; E2-W83 HydrophobicContact CG-CZ2 4.31Å; H5-W83 HydrophobicContact CB-CD2 3.79Å; H5-W83 HydrophobicContact CB-CE3 3.65Å; H5-W83 HydrophobicContact CB-CH2 3.36Å; H5-W83 HydrophobicContact CB-CZ2 3.51Å; H5-W83 HydrophobicContact CB-CZ3 3.43Å; H5-W83 VanDerWaalsContact CB-CZ3 3.43Å; H5-W83 AromaticContact CG-CE2 3.94Å; H5-W83 AromaticContact ND1-CD1 3.79Å; H5-W83 AromaticContact ND1-CD2 3.79Å; H5-W83 AromaticContact ND1-CE2 3.36Å; H5-W83 AromaticContact ND1-CZ2 3.8Å; H5-W83 AromaticContact ND1-NE1 3.35Å; H5-W83 PolarHBondContact ND1-NE1 3.35Å; I9-W83 HydrophobicContact CD1-CE3 3.44Å; I9-W83 VanDerWaalsContact CD1-CE3 3.44Å; I9-W83 HydrophobicContact CD1-CZ3 3.56Å; E78-W83 HydrophobicContact CB-CB 4.38Å; E78-W83 HydrophobicContact CB-CG 4.33Å; R79-W83 WeakPolarHBondContact O-CB 3.18Å; R79-W83 PolarHBondContact O-N 2.93Å; P80-W83 PolarHBondContact O-N 2.89Å; W83-G85 PolarHBondContact O-N 2.91Å; W83-E86 PolarHBondContact O-N 3.45Å; W83-S87 WeakPolarHBondContact O-CB 3.21Å; W83-S87 PolarHBondContact O-N 3.11Å; W83-S87 PolarHBondContact O-OG 3.35Å; W83-L89 HydrophobicContact CH2-CD1 3.75Å; W83-L89 HydrophobicContact CZ2-CD1 4.21Å; W83-F90 HydrophobicContact CE3-CE2 4.3Å; W83-F90 AromaticContact CZ3-CE2 3.72Å; W83-F90 HydrophobicContact CZ3-CE2 3.72Å; W83-F90 HydrophobicContact CZ3-CZ 4.18Å; W83-F168 HydrophobicContact CB-CZ 4.05Å; W83-F168 HydrophobicContact CD2-CZ 4.15Å; W83-F168 HydrophobicContact CE3-CZ 4.09Å; W83-F168 HydrophobicContact CG-CZ 4.14Å |
| 84 | I | 93.7 | Very high | 91.4 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 19% | 0.185 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -52.9 | -44.9 | 172.4 | -66.9 | 157.3 | 0 | 0 | 0 | 110.6 | I9 P80 W82 S87 F90 P95 L97 | I9-I84 HydrophobicContact CD1-CB 4.45Å; I9-I84 HydrophobicContact CD1-CD1 4.36Å; I9-I84 HydrophobicContact CD1-CG1 3.38Å; I9-I84 HydrophobicContact CG1-CD1 4.44Å; I9-I84 HydrophobicContact CG1-CG1 3.95Å; P80-I84 WeakPolarHBondContact O-CD1 3.21Å; P80-I84 VanDerWaalsContact O-CG1 3.24Å; P80-I84 WeakPolarHBondContact O-CG1 3.16Å; P80-I84 PolarHBondContact O-N 3.23Å; W82-I84 VanDerWaalsContact C-N 3.31Å; W82-I84 PolarHBondContact O-N 3.32Å; I84-S87 PolarHBondContact O-OG 2.88Å; I84-F90 HydrophobicContact CG2-CB 4.43Å; I84-F90 HydrophobicContact CG2-CD2 4.19Å; I84-F90 HydrophobicContact CG2-CG 4.47Å; I84-P95 HydrophobicContact CG2-CG 4.19Å; I84-L97 HydrophobicContact CD1-CD1 3.62Å |
| 85 | G | 90.6 | Very high | 91.3 | Very high | 21 Ų | 21 | 61.2 Ų | 61.2 | 22% | 0.216 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -79.4 | -41.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | W82 W83 | W82-G85 PolarHBondContact O-N 3.33Å; W82-G85 VanDerWaalsContact O-N 3.15Å; W83-G85 PolarHBondContact O-N 2.91Å |
| 86 | E | 93.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 63.6 Ų | 63.6 | 35% | 0.346 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.5 | -33.9 | -179.8 | -71.4 | -58.2 | 143.5 | 0 | 0 | 113.2 | W82 W83 R88 L230 K233 W234 | W82-E86 PolarHBondContact O-N 3.38Å; W83-E86 PolarHBondContact O-N 3.45Å; E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.38Å; E86-L230 HydrophobicContact CG-CD2 3.74Å; E86-K233 WeakPolarHBondContact OE1-CE 3.33Å; E86-K233 IonicContact OE1-NZ 2.84Å; E86-K233 PolarHBondContact OE1-NZ 3.08Å; E86-K233 IonicContact OE2-NZ 2.64Å; E86-W234 PolarHBondContact OE1-NE1 3Å |
| 87 | S | 90.9 | Very high | 91.3 | Very high | 28 Ų | 28 | 62.7 Ų | 62.7 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -71.6 | -21.2 | -175 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | W83 I84 L89 | W83-S87 WeakPolarHBondContact O-CB 3.21Å; W83-S87 PolarHBondContact O-N 3.11Å; W83-S87 PolarHBondContact O-OG 3.35Å; I84-S87 PolarHBondContact O-OG 2.88Å; S87-L89 PolarHBondContact O-N 2.87Å |
| 88 | R | 88.4 | Confident | 91.3 | Very high | 191 Ų | 191 | 67.2 Ų | 67.2 | 72% | 0.721 | 33% | 0.326 | S | S | * | . | trans | 56 | 7.4 | -173.2 | -55.7 | -174.9 | -172.2 | -178.2 | 0.3 | 115.2 | E86 F90 E91 | E86-R88 VanDerWaalsContact C-N 3.31Å; E86-R88 PolarHBondContact O-N 3.38Å; R88-F90 VanDerWaalsContact C-N 3.27Å; R88-F90 PolarHBondContact O-N 2.81Å; R88-E91 WeakPolarHBondContact CB-OE1 3.15Å | ||
| 89 | L | 88.6 | Confident | 91.3 | Very high | 92 Ų | 92 | 66.6 Ų | 66.6 | 48% | 0.482 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -17.7 | -177 | -65.9 | 176.2 | 0 | 0 | 0 | 113.2 | W83 S87 | W83-L89 HydrophobicContact CH2-CD1 3.75Å; W83-L89 HydrophobicContact CZ2-CD1 4.21Å; S87-L89 PolarHBondContact O-N 2.87Å |
| 90 | F | 88 | Confident | 91.2 | Very high | 13 Ų | 13 | 67.3 Ų | 67.3 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 13.3 | -173 | -58.8 | -83.6 | 0 | 0 | 0 | 113.8 | T6 I9 W10 W83 I84 R88 K92 N93 P94 P95 | T6-F90 HydrophobicContact CG2-CE1 4.43Å; T6-F90 HydrophobicContact CG2-CZ 4.13Å; I9-F90 HydrophobicContact CB-CZ 4.1Å; I9-F90 HydrophobicContact CD1-CD2 4.36Å; I9-F90 HydrophobicContact CD1-CE1 4.41Å; I9-F90 HydrophobicContact CD1-CE2 3.4Å; I9-F90 VanDerWaalsContact CD1-CE2 3.4Å; I9-F90 HydrophobicContact CD1-CZ 3.43Å; I9-F90 VanDerWaalsContact CD1-CZ 3.43Å; I9-F90 HydrophobicContact CG1-CZ 4.38Å; I9-F90 HydrophobicContact CG2-CE1 3.93Å; I9-F90 HydrophobicContact CG2-CZ 3.93Å; W10-F90 AromaticContact CE2-CE1 4Å; W10-F90 HydrophobicContact CH2-CD1 4.3Å; W10-F90 HydrophobicContact CH2-CE1 4.26Å; W10-F90 HydrophobicContact CZ2-CD1 4.09Å; W10-F90 AromaticContact CZ2-CE1 3.72Å; W10-F90 HydrophobicContact CZ2-CE1 3.72Å; W83-F90 HydrophobicContact CE3-CE2 4.3Å; W83-F90 AromaticContact CZ3-CE2 3.72Å; W83-F90 HydrophobicContact CZ3-CE2 3.72Å; W83-F90 HydrophobicContact CZ3-CZ 4.18Å; I84-F90 HydrophobicContact CG2-CB 4.43Å; I84-F90 HydrophobicContact CG2-CD2 4.19Å; I84-F90 HydrophobicContact CG2-CG 4.47Å; R88-F90 VanDerWaalsContact C-N 3.27Å; R88-F90 PolarHBondContact O-N 2.81Å; F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 3.22Å; F90-N93 CarbonylContact O-C 3.35Å; F90-N93 PolarHBondContact O-N 3.3Å; F90-P94 WeakPolarHBondContact O-CA 3.47Å; F90-P95 HydrophobicContact CD1-CG 4.24Å; F90-P95 HydrophobicContact CG-CG 4.48Å |
| 91 | E | 84.9 | Confident | 90.9 | Very high | 149 Ų | 149 | 69.8 Ų | 69.8 | 70% | 0.696 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -61.9 | -37.4 | -179.3 | -71.2 | 179.6 | -177.7 | 0 | 0 | 112.7 | R88 | R88-E91 WeakPolarHBondContact CB-OE1 3.15Š|
| 92 | K | 83.6 | Confident | 90.7 | Very high | 196 Ų | 196 | 70.4 Ų | 70.4 | 85% | 0.852 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -83.5 | -34.3 | -179.2 | -64 | -175.1 | -178.9 | 179.4 | 0 | 113.3 | F90 | F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 3.22Å |
| 93 | N | 86.7 | Confident | 90.6 | Very high | 122 Ų | 122 | 70.4 Ų | 70.4 | 65% | 0.652 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -134.4 | 79.3 | -177 | -73.9 | -29.6 | 0 | 0 | 0 | 109.2 | F90 | F90-N93 CarbonylContact O-C 3.35Å; F90-N93 PolarHBondContact O-N 3.3Å |
| 94 | P | 88.8 | Confident | 90.3 | Very high | 92 Ų | 92 | 69.7 Ų | 69.7 | 60% | 0.597 | 35% | 0.35 | S | S | * | . | trans | -69.9 | 132.7 | -177.5 | 26.9 | -33.5 | 0 | 0 | 0 | 110.8 | F90 | F90-P94 WeakPolarHBondContact O-CA 3.47Š| ||
| 95 | P | 91.1 | Very high | 90.1 | Very high | 20 Ų | 20 | 68.6 Ų | 68.6 | 13% | 0.13 | 34% | 0.344 | C | S | . | . | trans | -70.1 | 141.8 | 177.6 | 31.2 | -36.5 | 0 | 0 | 0 | 110.4 | I9 W10 I84 F90 L97 | I9-P95 HydrophobicContact CG2-CB 3.91Å; I9-P95 HydrophobicContact CG2-CG 3.88Å; W10-P95 HydrophobicContact CZ3-CB 4.35Å; I84-P95 HydrophobicContact CG2-CG 4.19Å; F90-P95 HydrophobicContact CD1-CG 4.24Å; F90-P95 HydrophobicContact CG-CG 4.48Å; P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 HydrophobicContact CB-CD1 3.9Å; P95-L97 HydrophobicContact CB-CG 4.03Å; P95-L97 HydrophobicContact CG-CD1 3.92Å; P95-L97 HydrophobicContact CG-CG 4.41Å; P95-L97 PolarHBondContact O-N 2.95Å | ||
| 96 | K | 91.9 | Very high | 90 | Very high | 155 Ų | 155 | 68 Ų | 68 | 67% | 0.674 | 34% | 0.336 | S | S | * | . | trans | -82.9 | 72.5 | 179 | -62 | -179.5 | -175.4 | 175.9 | 0 | 110.5 | E13 Q17 | E13-K96 WeakPolarHBondContact OE1-CB 3.37Å; E13-K96 PolarHBondContact OE1-N 3.38Å; Q17-K96 PolarHBondContact NE2-O 3.01Å; Q17-K96 VanDerWaalsContact NE2-O 3.14Å | ||
| 97 | L | 93.4 | Very high | 89.6 | Confident | 39 Ų | 39 | 64.7 Ų | 64.7 | 20% | 0.204 | 32% | 0.322 | C | S | . | . | trans | -111.9 | 141.5 | -174.5 | -76.5 | 176.5 | 0 | 0 | 0 | 112.5 | I9 A12 E13 Q16 I84 P95 L165 | I9-L97 HydrophobicContact CG2-CD1 3.96Å; A12-L97 HydrophobicContact CB-CD2 4.41Å; E13-L97 VanDerWaalsContact CA-CD2 3.48Å; E13-L97 HydrophobicContact CB-CD2 3.89Å; E13-L97 HydrophobicContact CB-CG 4.24Å; E13-L97 HydrophobicContact CG-CD2 4.46Å; Q16-L97 HydrophobicContact CG-CD2 4.24Å; I84-L97 HydrophobicContact CD1-CD1 3.62Å; P95-L97 VanDerWaalsContact C-N 3.27Å; P95-L97 HydrophobicContact CB-CD1 3.9Å; P95-L97 HydrophobicContact CB-CG 4.03Å; P95-L97 HydrophobicContact CG-CD1 3.92Å; P95-L97 HydrophobicContact CG-CG 4.41Å; P95-L97 PolarHBondContact O-N 2.95Å; L97-L165 HydrophobicContact CB-CD1 3.92Å; L97-L165 HydrophobicContact CD1-CD1 4.3Å; L97-L165 HydrophobicContact CD1-CD2 3.79Å; L97-L165 HydrophobicContact CD2-CD1 4.45Å; L97-L165 HydrophobicContact CD2-CD2 3.86Å; L97-L165 HydrophobicContact CG-CD1 4.46Å; L97-L165 HydrophobicContact CG-CD2 4.31Å | ||
| 98 | Q | 93.7 | Very high | 89.7 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | trans | -111.5 | 136 | 176.6 | -177 | 172.9 | -6.3 | 0 | 0 | 110.9 | Q16 F100 L165 | Q16-Q98 PolarHBondContact NE2-O 3.38Å; Q98-F100 HydrophobicContact CG-CZ 4.35Å; Q98-F100 WeakPolarHBondContact O-CE2 3.36Å; Q98-L165 WeakPolarHBondContact O-CD1 3.4Å | ||
| 99 | Q | 94.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 54.4 Ų | 54.4 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | trans | -89 | 153.5 | 168.3 | -61.8 | -168.4 | 19.6 | 0 | 0 | 111 | T103 L165 W234 S236 W240 | Q99-T103 HydrophobicContact CB-CG2 4.14Å; Q99-T103 HydrophobicContact CG-CG2 4.01Å; Q99-L165 HydrophobicContact CG-CD1 4.47Å; Q99-W234 PolarHBondContact NE2-O 3.38Å; Q99-S236 VanDerWaalsContact OE1-N 3.13Å; Q99-S236 PolarHBondContact OE1-OG 3.36Å; Q99-W240 HydrophobicContact CB-CZ3 3.91Å | ||
| 100 | F | 93.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 50.8 Ų | 50.8 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | trans | -126.1 | 166.7 | 178.5 | -58.7 | -90 | 0 | 0 | 0 | 110.4 | D23 L27 Q98 S102 T103 F163 I164 W240 | D23-F100 HydrophobicContact CB-CE1 4.38Å; L27-F100 HydrophobicContact CD1-CD1 4.17Å; L27-F100 HydrophobicContact CD2-CB 4.03Å; L27-F100 HydrophobicContact CD2-CD1 4.05Å; L27-F100 HydrophobicContact CD2-CG 4.06Å; L27-F100 HydrophobicContact CG-CD1 4.49Å; Q98-F100 HydrophobicContact CG-CZ 4.35Å; Q98-F100 WeakPolarHBondContact O-CE2 3.36Å; F100-S102 PolarHBondContact O-N 2.88Å; F100-T103 PolarHBondContact N-OG1 3.29Å; F100-T103 WeakPolarHBondContact O-CB 3.24Å; F100-T103 PolarHBondContact O-N 3.13Å; F100-T103 PolarHBondContact O-OG1 3.48Å; F100-F163 HydrophobicContact CE1-CE1 4.11Å; F100-F163 AromaticContact CE2-CD1 3.93Å; F100-F163 HydrophobicContact CE2-CD1 3.93Å; F100-F163 AromaticContact CE2-CE1 3.55Å; F100-F163 HydrophobicContact CE2-CE1 3.55Å; F100-F163 HydrophobicContact CE2-CZ 4.36Å; F100-F163 HydrophobicContact CZ-CD1 4.16Å; F100-F163 AromaticContact CZ-CE1 3.31Å; F100-F163 HydrophobicContact CZ-CE1 3.31Å; F100-F163 AromaticContact CZ-CZ 3.88Å; F100-F163 HydrophobicContact CZ-CZ 3.88Å; F100-I164 HydrophobicContact CD2-CB 4.13Å; F100-I164 HydrophobicContact CD2-CG2 3.95Å; F100-I164 HydrophobicContact CG-CG2 4.37Å; F100-W240 VanDerWaalsContact C-CZ3 3.46Å; F100-W240 WeakPolarHBondContact O-CZ3 3.4Å | ||
| 101 | A | 89.8 | Confident | 90.6 | Very high | 55 Ų | 55 | 50.4 Ų | 50.4 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | W240 | A101-W240 HydrophobicContact CB-CD2 4.24Å; A101-W240 HydrophobicContact CB-CG 4.18Å |
| 102 | S | 89.3 | Confident | 91.1 | Very high | 19 Ų | 19 | 43.3 Ų | 43.3 | 13% | 0.133 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.2 | 175.8 | 50.8 | 0 | 0 | 0 | 0 | 114.4 | F100 | F100-S102 PolarHBondContact O-N 2.88Š|
| 103 | T | 91.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -43.4 | -178.1 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | F81 Q99 F100 E105 I164 L165 | F81-T103 HydrophobicContact CB-CG2 3.58Å; F81-T103 HydrophobicContact CD1-CG2 3.8Å; F81-T103 HydrophobicContact CD2-CG2 4.38Å; F81-T103 VanDerWaalsContact CE1-O 3.29Å; F81-T103 WeakPolarHBondContact CE1-O 3.38Å; F81-T103 HydrophobicContact CG-CG2 3.69Å; Q99-T103 HydrophobicContact CB-CG2 4.14Å; Q99-T103 HydrophobicContact CG-CG2 4.01Å; F100-T103 PolarHBondContact N-OG1 3.29Å; F100-T103 WeakPolarHBondContact O-CB 3.24Å; F100-T103 PolarHBondContact O-N 3.13Å; F100-T103 PolarHBondContact O-OG1 3.48Å; T103-E105 PolarHBondContact O-N 2.95Å; T103-I164 VanDerWaalsContact CB-O 3.3Å; T103-I164 WeakPolarHBondContact CB-O 3.15Å; T103-I164 VanDerWaalsContact CG2-O 3.26Å; T103-I164 WeakPolarHBondContact CG2-O 3.32Å; T103-I164 PolarHBondContact OG1-O 2.93Å; T103-L165 HydrophobicContact CG2-CB 4.12Å |
| 104 | C | 90 | Very high | 92.1 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | trans | -82.1 | 54.7 | -165.9 | -57.4 | 0 | 0 | 0 | 0 | 114.6 | C235 W240 I241 | C104-C235 HydrophobicContact CB-CB 3.7Å; C104-C235 WeakPolarHBondContact CB-SG 3.19Å; C104-C235 VanDerWaalsContact SG-CA 3.52Å; C104-C235 WeakPolarHBondContact SG-CB 3.33Å; C104-C235 CovalentContact SG-SG 2.01Å; C104-C235 PolarHBondContact SG-SG 3.5Å; C104-W240 HydrophobicContact CB-CB 4.03Å; C104-I241 HydrophobicContact CB-CG1 4.31Å | ||
| 105 | E | 89.7 | Confident | 92.5 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | trans | -73.7 | 141.7 | 171.4 | -68.3 | -175.4 | -177.7 | 0 | 0 | 111.5 | R79 W82 T103 H114 R161 | R79-E105 VanDerWaalsContact CZ-CB 3.43Å; R79-E105 IonicContact CZ-OE2 3.41Å; R79-E105 VanDerWaalsContact CZ-OE2 3.23Å; R79-E105 IonicContact NH1-OE2 3.36Å; R79-E105 PolarHBondContact NH1-OE2 2.96Å; R79-E105 VanDerWaalsContact NH2-CB 3.27Å; R79-E105 IonicContact NH2-OE2 3.08Å; R79-E105 PolarHBondContact NH2-OE2 3.14Å; W82-E105 WeakPolarHBondContact CZ3-O 3.43Å; T103-E105 PolarHBondContact O-N 2.95Å; E105-H114 IonicContact OE1-CE1 3.89Å; E105-H114 PolarHBondContact OE1-CE1 2.96Å; E105-H114 IonicContact OE1-ND1 3.1Å; E105-R161 IonicContact OE1-CZ 2.72Å; E105-R161 IonicContact OE1-NH1 2.69Å; E105-R161 PolarHBondContact OE1-NH1 3.21Å; E105-R161 IonicContact OE1-NH2 3.2Å; E105-R161 PolarHBondContact OE1-NH2 3.18Å; E105-R161 IonicContact OE2-NH2 3.36Å; E105-R161 PolarHBondContact OE2-NH2 3.08Å; E105-R161 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 106 | T | 87.8 | Confident | 92.9 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 6% | 0.055 | 13% | 0.127 | C | C | . | . | trans | -94.1 | -18.9 | -168.8 | 52 | 0 | 0 | 0 | 0 | 115 | S227 A231 I241 | T106-S227 CarbonylContact O-C 3.41Å; T106-S227 WeakPolarHBondContact O-CB 3.47Å; T106-S227 PolarHBondContact O-OG 3.42Å; T106-S227 VanDerWaalsContact O-OG 3.08Å; T106-A231 HydrophobicContact CG2-CB 4.18Å; T106-I241 HydrophobicContact CG2-CG2 3.49Å; T106-I241 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 107 | G | 86.8 | Confident | 93.1 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 4% | 0.041 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -85.5 | 165 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R79 | R79-G107 VanDerWaalsContact CZ-O 3.26Å; R79-G107 PolarHBondContact NE-O 3.27Å; R79-G107 PolarHBondContact NH2-O 3.32Å |
| 108 | P | 91.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 15 Ų | 15 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | trans | -55.6 | 154.3 | 176.1 | -25.2 | 34.8 | 0 | 0 | 0 | 113.8 | K72 W226 S227 | K72-P108 HydrophobicContact CB-CB 4.07Å; K72-P108 HydrophobicContact CB-CG 4.28Å; K72-P108 WeakPolarHBondContact CD-O 3.41Å; K72-P108 WeakPolarHBondContact CE-O 3.49Å; K72-P108 HydrophobicContact CG-CB 4.38Å; K72-P108 WeakPolarHBondContact O-CB 3.15Å; K72-P108 WeakPolarHBondContact O-CG 3.39Å; P108-W226 HydrophobicContact CB-CZ2 4.19Å; P108-W226 HydrophobicContact CG-CZ2 4.26Å; P108-S227 WeakPolarHBondContact CD-OG 3.24Å | ||
| 109 | G | 92.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | trans | -83.6 | -22.2 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | G77 P111 H167 Q171 | G77-G109 PolarHBondContact O-N 3.07Å; G109-P111 CarbonylContact O-C 3.32Å; G109-H167 PolarHBondContact O-CE1 3.46Å; G109-H167 PolarHBondContact O-ND1 3.35Å; G109-Q171 VanDerWaalsContact O-CD 3.3Å; G109-Q171 PolarHBondContact O-OE1 3.03Å | ||
| 110 | S | 94.6 | Very high | 93.8 | Very high | 16 Ų | 16 | 8.3 Ų | 8.3 | 11% | 0.112 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -108.7 | 126.8 | -171.8 | -65.9 | 0 | 0 | 0 | 0 | 113 | K72 G77 Q171 | K72-S110 VanDerWaalsContact CA-O 3.29Å; K72-S110 WeakPolarHBondContact CA-O 3.35Å; K72-S110 WeakPolarHBondContact CG-O 3.33Å; G77-S110 WeakPolarHBondContact CA-OG 3.41Å; S110-Q171 WeakPolarHBondContact OG-CG 3.35Å; S110-Q171 PolarHBondContact OG-NE2 3.45Å |
| 111 | P | 96.8 | Very high | 94 | Very high | 5 Ų | 5 | 7.6 Ų | 7.6 | 3% | 0.032 | 5% | 0.053 | C | C | . | . | S | Bend | cis | -82.7 | 169.9 | -14.7 | 32.8 | -29.2 | 0 | 0 | 0 | 111.8 | N68 F71 K72 G109 G113 M116 A174 | N68-P111 PolarHBondContact ND2-O 2.95Å; F71-P111 HydrophobicContact CB-CG 4.24Å; F71-P111 HydrophobicContact CD2-CG 4.29Å; K72-P111 WeakPolarHBondContact CE-O 3.33Å; G109-P111 CarbonylContact O-C 3.32Å; P111-G113 PolarHBondContact O-N 3.44Å; P111-G113 VanDerWaalsContact O-N 3.16Å; P111-M116 HydrophobicContact CG-SD 4.09Å; P111-A174 HydrophobicContact CB-CB 4.27Å |
| 112 | S | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | -66.7 | 115.6 | 179.1 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | A115 M116 H167 Q171 | S112-A115 PolarHBondContact O-N 2.89Å; S112-M116 VanDerWaalsContact O-CB 3.25Å; S112-M116 WeakPolarHBondContact O-CB 3.36Å; S112-M116 PolarHBondContact O-N 3.48Å; S112-H167 PolarHBondContact OG-CD2 3.45Å; S112-H167 PolarHBondContact OG-NE2 3.3Å; S112-H167 VanDerWaalsContact OG-NE2 3.14Å; S112-Q171 PolarHBondContact N-O 2.99Å | ||
| 113 | G | 94.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 3% | 0.031 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -66 | -39.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113.6 | N68 P111 M116 V117 | N68-G113 VanDerWaalsContact CG-CA 3.47Å; N68-G113 WeakPolarHBondContact ND2-CA 3.37Å; N68-G113 PolarHBondContact ND2-N 2.83Å; N68-G113 VanDerWaalsContact OD1-CA 3.3Å; N68-G113 WeakPolarHBondContact OD1-CA 3.03Å; P111-G113 PolarHBondContact O-N 3.44Å; P111-G113 VanDerWaalsContact O-N 3.16Å; G113-M116 PolarHBondContact O-N 3.31Å; G113-V117 WeakPolarHBondContact O-CB 3.4Å; G113-V117 WeakPolarHBondContact O-CG2 3.26Å; G113-V117 PolarHBondContact O-N 3.24Å |
| 114 | H | 95.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 8.9 Ų | 8.9 | 8% | 0.083 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 175.2 | -77.6 | 62 | 0 | 0 | 0 | 111 | T30 G33 E105 T118 V157 R161 | T30-H114 PolarHBondContact O-CD2 2.91Å; G33-H114 VanDerWaalsContact C-CD2 3.45Å; G33-H114 WeakPolarHBondContact O-CA 3.34Å; G33-H114 WeakPolarHBondContact O-CB 3.37Å; G33-H114 PolarHBondContact O-CD2 3.15Å; E105-H114 IonicContact OE1-CE1 3.89Å; E105-H114 PolarHBondContact OE1-CE1 2.96Å; E105-H114 IonicContact OE1-ND1 3.1Å; H114-T118 WeakPolarHBondContact O-CB 3.34Å; H114-T118 PolarHBondContact O-N 3.32Å; H114-T118 VanDerWaalsContact O-N 3.07Å; H114-T118 PolarHBondContact O-OG1 3.48Å; H114-V157 HydrophobicContact CB-CG1 4.49Å; H114-R161 HydrophobicContact CB-CG 4.17Å; H114-R161 PolarHBondContact CD2-NH1 3.28Å; H114-R161 PolarHBondContact CE1-NH1 2.81Å; H114-R161 VanDerWaalsContact CE1-NH1 3.33Å; H114-R161 PolarHBondContact NE2-NH1 3.32Å |
| 115 | A | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.4 | -42.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S112 A119 V172 | S112-A115 PolarHBondContact O-N 2.89Å; A115-A119 WeakPolarHBondContact O-CB 3.44Å; A115-A119 PolarHBondContact O-N 2.8Å; A115-V172 HydrophobicContact CB-CG1 4.13Å |
| 116 | M | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66 | -52.3 | -178.1 | -175.9 | 173 | 170 | 0 | 0 | 112.8 | S64 L67 N68 F71 P111 S112 G113 A119 A120 G175 T178 G179 L182 | S64-M116 WeakPolarHBondContact O-CE 3.43Å; L67-M116 HydrophobicContact CB-CE 4.01Å; L67-M116 HydrophobicContact CD2-CE 4.07Å; L67-M116 HydrophobicContact CG-CE 4.23Å; N68-M116 HydrophobicContact CB-CE 4.32Å; N68-M116 HydrophobicContact CB-SD 3.68Å; F71-M116 HydrophobicContact CD2-CE 4.44Å; F71-M116 HydrophobicContact CE2-CE 4.48Å; P111-M116 HydrophobicContact CG-SD 4.09Å; S112-M116 VanDerWaalsContact O-CB 3.25Å; S112-M116 WeakPolarHBondContact O-CB 3.36Å; S112-M116 PolarHBondContact O-N 3.48Å; G113-M116 PolarHBondContact O-N 3.31Å; M116-A119 PolarHBondContact O-N 2.83Å; M116-A120 WeakPolarHBondContact O-CB 3.27Å; M116-A120 PolarHBondContact O-N 2.82Å; M116-A120 VanDerWaalsContact O-N 3.09Å; M116-G175 WeakPolarHBondContact CA-O 3.29Å; M116-G175 WeakPolarHBondContact CB-O 3.44Å; M116-T178 HydrophobicContact CE-CG2 3.56Å; M116-T178 HydrophobicContact SD-CG2 4.16Å; M116-G179 WeakPolarHBondContact O-CA 3.35Å; M116-L182 HydrophobicContact CE-CD1 3.35Å |
| 117 | V | 97.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.012 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -67.3 | -41.3 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | P35 A61 E65 G113 A120 V121 | P35-V117 HydrophobicContact CB-CB 4.33Å; P35-V117 HydrophobicContact CB-CG1 4.1Å; P35-V117 HydrophobicContact CB-CG2 4.29Å; P35-V117 HydrophobicContact CG-CB 4.21Å; P35-V117 HydrophobicContact CG-CG1 4.5Å; P35-V117 HydrophobicContact CG-CG2 4.14Å; A61-V117 HydrophobicContact CB-CG1 4.38Å; E65-V117 HydrophobicContact CB-CG2 3.91Å; G113-V117 WeakPolarHBondContact O-CB 3.4Å; G113-V117 WeakPolarHBondContact O-CG2 3.26Å; G113-V117 PolarHBondContact O-N 3.24Å; V117-A120 PolarHBondContact O-N 3.03Å; V117-V121 HydrophobicContact CG1-CG2 4Å; V117-V121 WeakPolarHBondContact O-CB 3.35Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 3.17Å |
| 118 | T | 98.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 12.3 Ų | 12.3 | 4% | 0.037 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.7 | -48 | 176.2 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | G33 H114 A120 V121 W122 L154 V157 | G33-T118 WeakPolarHBondContact CA-OG1 3.43Å; G33-T118 PolarHBondContact O-OG1 3.5Å; H114-T118 WeakPolarHBondContact O-CB 3.34Å; H114-T118 PolarHBondContact O-N 3.32Å; H114-T118 VanDerWaalsContact O-N 3.07Å; H114-T118 PolarHBondContact O-OG1 3.48Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 3.43Å; T118-V121 PolarHBondContact O-N 2.91Å; T118-W122 HydrophobicContact CG2-CD2 3.51Å; T118-W122 HydrophobicContact CG2-CE3 3.8Å; T118-W122 HydrophobicContact CG2-CG 3.97Å; T118-W122 HydrophobicContact CG2-CH2 4.21Å; T118-W122 HydrophobicContact CG2-CZ2 3.96Å; T118-W122 HydrophobicContact CG2-CZ3 4.12Å; T118-W122 VanDerWaalsContact O-CB 3.24Å; T118-W122 WeakPolarHBondContact O-CB 3.07Å; T118-W122 PolarHBondContact O-N 3.44Å; T118-L154 HydrophobicContact CG2-CD1 4.27Å; T118-V157 HydrophobicContact CG2-CG2 4.28Å |
| 119 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.2 | -39.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A115 M116 W123 Y150 L154 S176 | A115-A119 WeakPolarHBondContact O-CB 3.44Å; A115-A119 PolarHBondContact O-N 2.8Å; M116-A119 PolarHBondContact O-N 2.83Å; A119-W123 WeakPolarHBondContact O-CB 3.45Å; A119-W123 PolarHBondContact O-N 3.48Å; A119-Y150 WeakPolarHBondContact O-CE2 3.2Å; A119-Y150 PolarHBondContact O-OH 2.92Å; A119-L154 HydrophobicContact CB-CD1 3.85Å; A119-L154 HydrophobicContact CB-CD2 3.78Å; A119-S176 WeakPolarHBondContact CB-O 3.34Å |
| 120 | A | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.4 | -50.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | V60 S64 M116 V117 T118 W123 V124 G179 L182 | V60-A120 HydrophobicContact CG1-CB 3.53Å; S64-A120 WeakPolarHBondContact OG-CB 3.14Å; M116-A120 WeakPolarHBondContact O-CB 3.27Å; M116-A120 PolarHBondContact O-N 2.82Å; M116-A120 VanDerWaalsContact O-N 3.09Å; V117-A120 PolarHBondContact O-N 3.03Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 3.43Å; A120-W123 PolarHBondContact O-N 2.89Å; A120-V124 PolarHBondContact O-N 3.01Å; A120-G179 WeakPolarHBondContact CA-O 3.17Å; A120-G179 WeakPolarHBondContact CB-O 3.33Å; A120-G179 PolarHBondContact N-O 3.16Å; A120-L182 HydrophobicContact CB-CB 4.49Å |
| 121 | V | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.012 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | -176.3 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | A38 V42 V57 A61 V117 T118 W123 V124 M125 | A38-V121 HydrophobicContact CB-CG1 4.18Å; A38-V121 HydrophobicContact CB-CG2 3.97Å; V42-V121 HydrophobicContact CB-CG1 4.46Å; V42-V121 HydrophobicContact CG1-CG1 3.92Å; V57-V121 HydrophobicContact CG1-CG1 3.93Å; V57-V121 HydrophobicContact CG2-CG1 4.25Å; A61-V121 HydrophobicContact CB-CG2 3.7Å; V117-V121 HydrophobicContact CG1-CG2 4Å; V117-V121 WeakPolarHBondContact O-CB 3.35Å; V117-V121 WeakPolarHBondContact O-CG2 3.44Å; V117-V121 PolarHBondContact O-N 3.17Å; T118-V121 PolarHBondContact O-N 2.91Å; V121-W123 VanDerWaalsContact C-N 3.28Å; V121-W123 PolarHBondContact O-N 3.33Å; V121-V124 WeakPolarHBondContact O-CB 3.29Å; V121-V124 PolarHBondContact O-N 3.3Å; V121-V124 VanDerWaalsContact O-N 3.17Å; V121-M125 PolarHBondContact O-N 3.09Å |
| 122 | W | 97.8 | Very high | 97 | Very high | 50 Ų | 50 | 23.1 Ų | 23.1 | 19% | 0.189 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -73 | -23.3 | -178.7 | -67.4 | 9.3 | 0 | 0 | 0 | 112.6 | I32 T118 V124 M125 A126 Y150 V157 | I32-W122 HydrophobicContact CG2-CH2 4.07Å; I32-W122 HydrophobicContact CG2-CZ2 3.62Å; T118-W122 HydrophobicContact CG2-CD2 3.51Å; T118-W122 HydrophobicContact CG2-CE3 3.8Å; T118-W122 HydrophobicContact CG2-CG 3.97Å; T118-W122 HydrophobicContact CG2-CH2 4.21Å; T118-W122 HydrophobicContact CG2-CZ2 3.96Å; T118-W122 HydrophobicContact CG2-CZ3 4.12Å; T118-W122 VanDerWaalsContact O-CB 3.24Å; T118-W122 WeakPolarHBondContact O-CB 3.07Å; T118-W122 PolarHBondContact O-N 3.44Å; W122-V124 VanDerWaalsContact C-N 3.33Å; W122-M125 PolarHBondContact O-N 2.91Å; W122-A126 VanDerWaalsContact O-CB 3.31Å; W122-A126 WeakPolarHBondContact O-CB 3.45Å; W122-A126 PolarHBondContact O-N 3.4Å; W122-Y150 HydrophobicContact CB-CD2 3.49Å; W122-Y150 VanDerWaalsContact CB-CD2 3.49Å; W122-Y150 HydrophobicContact CB-CE2 3.77Å; W122-Y150 HydrophobicContact CE3-CD2 4.42Å; W122-V157 HydrophobicContact CH2-CG2 4.41Å |
| 123 | W | 98.3 | Very high | 96.9 | Very high | 47 Ų | 47 | 25.8 Ų | 25.8 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 168.4 | 175.5 | -96.9 | 0 | 0 | 0 | 111.8 | A119 A120 V121 M125 A126 S127 Y147 Y150 F180 V184 | A119-W123 WeakPolarHBondContact O-CB 3.45Å; A119-W123 PolarHBondContact O-N 3.48Å; A120-W123 PolarHBondContact O-N 2.89Å; V121-W123 VanDerWaalsContact C-N 3.28Å; V121-W123 PolarHBondContact O-N 3.33Å; W123-M125 VanDerWaalsContact C-N 3.29Å; W123-M125 PolarHBondContact O-N 2.82Å; W123-A126 PolarHBondContact O-N 3.48Å; W123-S127 VanDerWaalsContact O-CB 3.3Å; W123-S127 WeakPolarHBondContact O-CB 3.46Å; W123-S127 PolarHBondContact O-N 3.4Å; W123-S127 PolarHBondContact O-OG 3.43Å; W123-Y147 HydrophobicContact CE3-CD1 4.44Å; W123-Y147 HydrophobicContact CE3-CE1 4.35Å; W123-Y147 HydrophobicContact CH2-CD1 4.33Å; W123-Y147 AromaticContact CH2-CE1 3.8Å; W123-Y147 HydrophobicContact CH2-CE1 3.8Å; W123-Y147 AromaticContact CZ3-CD1 3.77Å; W123-Y147 HydrophobicContact CZ3-CD1 3.77Å; W123-Y147 AromaticContact CZ3-CE1 3.64Å; W123-Y147 HydrophobicContact CZ3-CE1 3.64Å; W123-Y150 HydrophobicContact CB-CE2 4.39Å; W123-Y150 HydrophobicContact CE3-CE1 4.25Å; W123-F180 HydrophobicContact CD2-CD2 4.29Å; W123-F180 HydrophobicContact CD2-CE2 4.04Å; W123-F180 AromaticContact CE3-CD2 3.92Å; W123-F180 HydrophobicContact CE3-CD2 3.92Å; W123-F180 AromaticContact CE3-CE2 3.52Å; W123-F180 HydrophobicContact CE3-CE2 3.52Å; W123-F180 AromaticContact CH2-CE2 3.91Å; W123-F180 HydrophobicContact CH2-CE2 3.91Å; W123-F180 HydrophobicContact CH2-CZ 4.37Å; W123-F180 HydrophobicContact CZ2-CE2 4.41Å; W123-F180 HydrophobicContact CZ3-CD2 4.31Å; W123-F180 AromaticContact CZ3-CE2 3.46Å; W123-F180 HydrophobicContact CZ3-CE2 3.46Å; W123-F180 VanDerWaalsContact CZ3-CE2 3.46Å; W123-F180 HydrophobicContact CZ3-CZ 4.32Å; W123-V184 HydrophobicContact CD2-CG2 4.13Å; W123-V184 VanDerWaalsContact CE2-CG2 3.48Å; W123-V184 HydrophobicContact CG-CG2 4.45Å; W123-V184 HydrophobicContact CZ2-CG2 3.72Å |
| 124 | V | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 30.9 Ų | 30.9 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 174.8 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | T53 A56 V57 V60 A120 V121 W122 S127 S128 | T53-V124 HydrophobicContact CG2-CG1 3.93Å; A56-V124 HydrophobicContact CB-CG1 3.56Å; V57-V124 HydrophobicContact CG2-CG1 4.2Å; V60-V124 HydrophobicContact CB-CG2 4.14Å; V60-V124 HydrophobicContact CG1-CG2 4.24Å; V60-V124 HydrophobicContact CG2-CG2 3.74Å; A120-V124 PolarHBondContact O-N 3.01Å; V121-V124 WeakPolarHBondContact O-CB 3.29Å; V121-V124 PolarHBondContact O-N 3.3Å; V121-V124 VanDerWaalsContact O-N 3.17Å; W122-V124 VanDerWaalsContact C-N 3.33Å; V124-S127 PolarHBondContact O-OG 2.9Å; V124-S128 VanDerWaalsContact O-CB 3.26Å; V124-S128 WeakPolarHBondContact O-CB 3.31Å; V124-S128 PolarHBondContact O-N 2.91Å; V124-S128 VanDerWaalsContact O-N 3.13Å |
| 125 | M | 96.7 | Very high | 96.9 | Very high | 39 Ų | 39 | 33.2 Ų | 33.2 | 19% | 0.192 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -50.5 | 177.7 | -62.5 | 176.5 | 67.8 | 0 | 0 | 112.3 | V42 L45 T46 V121 W122 W123 S127 S128 L129 | V42-M125 HydrophobicContact CB-SD 4.45Å; V42-M125 HydrophobicContact CG1-CE 4.17Å; V42-M125 HydrophobicContact CG1-CG 3.99Å; V42-M125 HydrophobicContact CG1-SD 3.29Å; V42-M125 WeakPolarHBondContact CG1-SD 3.27Å; V42-M125 HydrophobicContact CG2-SD 4.33Å; L45-M125 HydrophobicContact CD2-CE 4.42Å; T46-M125 HydrophobicContact CG2-CE 4.4Å; T46-M125 HydrophobicContact CG2-CG 3.87Å; T46-M125 HydrophobicContact CG2-SD 4.49Å; V121-M125 PolarHBondContact O-N 3.09Å; W122-M125 PolarHBondContact O-N 2.91Å; W123-M125 VanDerWaalsContact C-N 3.29Å; W123-M125 PolarHBondContact O-N 2.82Å; M125-S127 PolarHBondContact O-N 2.74Å; M125-S128 PolarHBondContact O-N 3.36Å; M125-L129 WeakPolarHBondContact O-CB 3.26Å; M125-L129 WeakPolarHBondContact O-CG 3.26Å; M125-L129 PolarHBondContact O-N 3.13Å |
| 126 | A | 97.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.3 | -42.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | W122 W123 G130 P146 Y147 Y150 | W122-A126 VanDerWaalsContact O-CB 3.31Å; W122-A126 WeakPolarHBondContact O-CB 3.45Å; W122-A126 PolarHBondContact O-N 3.4Å; W123-A126 PolarHBondContact O-N 3.48Å; A126-G130 WeakPolarHBondContact O-CA 3.17Å; A126-G130 PolarHBondContact O-N 3.19Å; A126-P146 HydrophobicContact CB-CB 4.3Å; A126-Y147 HydrophobicContact CB-CD1 4.22Å; A126-Y147 HydrophobicContact CB-CE1 4.48Å; A126-Y150 HydrophobicContact CB-CG 4.32Å |
| 127 | S | 97 | Very high | 96.6 | Very high | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -42.3 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 112.8 | W123 V124 M125 S131 Y147 | W123-S127 VanDerWaalsContact O-CB 3.3Å; W123-S127 WeakPolarHBondContact O-CB 3.46Å; W123-S127 PolarHBondContact O-N 3.4Å; W123-S127 PolarHBondContact O-OG 3.43Å; V124-S127 PolarHBondContact O-OG 2.9Å; M125-S127 PolarHBondContact O-N 2.74Å; S127-S131 WeakPolarHBondContact O-CB 3.38Å; S127-S131 PolarHBondContact O-N 3.18Å; S127-S131 PolarHBondContact O-OG 3.31Å; S127-Y147 WeakPolarHBondContact CA-OH 3.49Å |
| 128 | S | 96.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 54.1 Ų | 54.1 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 175.4 | -173.4 | 0 | 0 | 0 | 0 | 111.5 | T53 V124 M125 S131 L132 | T53-S128 PolarHBondContact OG1-OG 2.93Å; V124-S128 VanDerWaalsContact O-CB 3.26Å; V124-S128 WeakPolarHBondContact O-CB 3.31Å; V124-S128 PolarHBondContact O-N 2.91Å; V124-S128 VanDerWaalsContact O-N 3.13Å; M125-S128 PolarHBondContact O-N 3.36Å; S128-S131 PolarHBondContact O-N 3.27Å; S128-S131 PolarHBondContact O-OG 3.45Å; S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 PolarHBondContact O-N 3.42Å |
| 129 | L | 95.9 | Very high | 96.3 | Very high | 72 Ų | 72 | 56 Ų | 56 | 38% | 0.377 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | 178.4 | -70.9 | 172.8 | 0 | 0 | 0 | 112.7 | M125 L132 L133 P146 | M125-L129 WeakPolarHBondContact O-CB 3.26Å; M125-L129 WeakPolarHBondContact O-CG 3.26Å; M125-L129 PolarHBondContact O-N 3.13Å; L129-L132 PolarHBondContact O-N 3.32Å; L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.6Å; L129-P146 HydrophobicContact CB-CB 4.07Å; L129-P146 HydrophobicContact CB-CG 3.91Å |
| 130 | G | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A126 L132 L133 Y134 S143 | A126-G130 WeakPolarHBondContact O-CA 3.17Å; A126-G130 PolarHBondContact O-N 3.19Å; G130-L132 VanDerWaalsContact C-N 3.32Å; G130-L132 PolarHBondContact O-N 2.82Å; G130-L133 PolarHBondContact O-N 3.11Å; G130-Y134 WeakPolarHBondContact O-CB 3.37Å; G130-Y134 PolarHBondContact O-N 3.22Å; G130-S143 PolarHBondContact O-OG 3.02Å |
| 131 | S | 94.8 | Very high | 95.9 | Very high | 73 Ų | 73 | 70.4 Ų | 70.4 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.3 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | S127 S128 S135 | S127-S131 WeakPolarHBondContact O-CB 3.38Å; S127-S131 PolarHBondContact O-N 3.18Å; S127-S131 PolarHBondContact O-OG 3.31Å; S128-S131 PolarHBondContact O-N 3.27Å; S128-S131 PolarHBondContact O-OG 3.45Å; S131-S135 WeakPolarHBondContact O-CB 3.49Å; S131-S135 PolarHBondContact O-N 3.05Å |
| 132 | L | 94.1 | Very high | 95.7 | Very high | 108 Ų | 108 | 73.7 Ų | 73.7 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.4 | -51.7 | 176.6 | -173.7 | 78.4 | 0 | 0 | 0 | 110.8 | S128 L129 G130 Y134 S135 Y136 | S128-L132 WeakPolarHBondContact O-CB 3.45Å; S128-L132 PolarHBondContact O-N 3.42Å; L129-L132 PolarHBondContact O-N 3.32Å; G130-L132 VanDerWaalsContact C-N 3.32Å; G130-L132 PolarHBondContact O-N 2.82Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.07Å; L132-S135 PolarHBondContact O-N 3.44Å; L132-S135 VanDerWaalsContact O-N 3.16Å; L132-S135 PolarHBondContact O-OG 3.2Å; L132-Y136 PolarHBondContact O-N 3.49Å; L132-Y136 VanDerWaalsContact O-N 3.07Å |
| 133 | L | 95.2 | Very high | 95.6 | Very high | 55 Ų | 55 | 72.2 Ų | 72.2 | 29% | 0.288 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 179.4 | -72.6 | 173.4 | 0 | 0 | 0 | 111.8 | L129 G130 Y136 T137 L142 P146 | L129-L133 WeakPolarHBondContact O-CB 3.42Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 2.6Å; G130-L133 PolarHBondContact O-N 3.11Å; L133-Y136 PolarHBondContact O-N 2.67Å; L133-T137 WeakPolarHBondContact O-CB 3.27Å; L133-T137 PolarHBondContact O-N 2.98Å; L133-T137 PolarHBondContact O-OG1 3.01Å; L133-L142 HydrophobicContact CD1-CG 4.49Å; L133-L142 WeakPolarHBondContact CD1-O 3.33Å; L133-L142 HydrophobicContact CD2-CD2 4.22Å; L133-L142 HydrophobicContact CD2-CG 4.46Å; L133-P146 HydrophobicContact CD1-CG 3.62Å |
| 134 | Y | 95.6 | Very high | 95.5 | Very high | 111 Ų | 111 | 71.9 Ų | 71.9 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 175.4 | -174.5 | -108.7 | 0 | 0 | 0 | 112 | G130 L132 Y136 R138 | G130-Y134 WeakPolarHBondContact O-CB 3.37Å; G130-Y134 PolarHBondContact O-N 3.22Å; L132-Y134 VanDerWaalsContact C-N 3.32Å; L132-Y134 PolarHBondContact O-N 3.07Å; Y134-Y136 VanDerWaalsContact C-N 3.28Å; Y134-Y136 PolarHBondContact O-N 3.17Å; Y134-R138 WeakPolarHBondContact O-CA 3.44Å; Y134-R138 PolarHBondContact O-N 2.66Å |
| 135 | S | 95.1 | Very high | 95.4 | Very high | 66 Ų | 66 | 74.8 Ų | 74.8 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.8 | -35.3 | 179.6 | 75.3 | 0 | 0 | 0 | 0 | 112.8 | S131 L132 | S131-S135 WeakPolarHBondContact O-CB 3.49Å; S131-S135 PolarHBondContact O-N 3.05Å; L132-S135 PolarHBondContact O-N 3.44Å; L132-S135 VanDerWaalsContact O-N 3.16Å; L132-S135 PolarHBondContact O-OG 3.2Å |
| 136 | Y | 94.3 | Very high | 95.5 | Very high | 204 Ų | 204 | 73.6 Ų | 73.6 | 80% | 0.8 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -82.2 | -42.4 | -178.7 | -168.3 | -106 | 0 | 0 | 0 | 112.8 | L132 L133 Y134 | L132-Y136 PolarHBondContact O-N 3.49Å; L132-Y136 VanDerWaalsContact O-N 3.07Å; L133-Y136 PolarHBondContact O-N 2.67Å; Y134-Y136 VanDerWaalsContact C-N 3.28Å; Y134-Y136 PolarHBondContact O-N 3.17Å |
| 137 | T | 94.9 | Very high | 95.5 | Very high | 55 Ų | 55 | 77 Ų | 77 | 34% | 0.337 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -104.3 | -15.8 | -171.3 | 65 | 0 | 0 | 0 | 0 | 114.7 | L133 S139 L142 | L133-T137 WeakPolarHBondContact O-CB 3.27Å; L133-T137 PolarHBondContact O-N 2.98Å; L133-T137 PolarHBondContact O-OG1 3.01Å; T137-S139 PolarHBondContact O-N 2.87Å; T137-S139 PolarHBondContact OG1-N 3.48Å; T137-L142 HydrophobicContact CG2-CD2 3.46Å; T137-L142 VanDerWaalsContact CG2-CD2 3.46Å |
| 138 | R | 94.9 | Very high | 95.5 | Very high | 183 Ų | 183 | 79.5 Ų | 79.5 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | trans | 54.4 | 15 | -170.4 | -55.7 | -62.1 | -177.1 | 166 | 1.1 | 114.3 | Y134 | Y134-R138 WeakPolarHBondContact O-CA 3.44Å; Y134-R138 PolarHBondContact O-N 2.66Å | ||
| 139 | S | 94.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 83.5 Ų | 83.5 | 32% | 0.315 | 43% | 0.429 | S | S | . | . | trans | -97.5 | 121.3 | -178.9 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | T137 L141 L142 S143 | T137-S139 PolarHBondContact O-N 2.87Å; T137-S139 PolarHBondContact OG1-N 3.48Å; S139-L141 VanDerWaalsContact C-N 3.3Å; S139-L141 PolarHBondContact OG-N 3.4Å; S139-L142 PolarHBondContact OG-N 3.27Å; S139-S143 WeakPolarHBondContact O-CB 3.34Å; S139-S143 PolarHBondContact O-N 2.92Å; S139-S143 VanDerWaalsContact O-N 3.09Å | ||
| 140 | M | 93.8 | Very high | 95.6 | Very high | 161 Ų | 161 | 81 Ų | 81 | 79% | 0.793 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -65.2 | -36.6 | 174.2 | -167.9 | -179.7 | -164.8 | 0 | 0 | 111.5 | S143 A144 | M140-S143 PolarHBondContact O-N 3.33Å; M140-A144 PolarHBondContact O-N 3.37Å |
| 141 | L | 95.1 | Very high | 95.7 | Very high | 142 Ų | 142 | 86 Ų | 86 | 74% | 0.743 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.6 | -47.9 | 179.4 | -176.1 | 68.4 | 0 | 0 | 0 | 111.1 | S139 S143 A144 V145 | S139-L141 VanDerWaalsContact C-N 3.3Å; S139-L141 PolarHBondContact OG-N 3.4Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.42Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 2.88Å; L141-A144 VanDerWaalsContact O-N 3.12Å; L141-V145 PolarHBondContact O-N 3.24Å |
| 142 | L | 93.9 | Very high | 95.8 | Very high | 71 Ų | 71 | 87.8 Ų | 87.8 | 37% | 0.372 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -69.3 | -35 | 180 | -163.3 | 68.4 | 0 | 0 | 0 | 111.6 | L133 T137 S139 A144 V145 | L133-L142 HydrophobicContact CD1-CG 4.49Å; L133-L142 WeakPolarHBondContact CD1-O 3.33Å; L133-L142 HydrophobicContact CD2-CD2 4.22Å; L133-L142 HydrophobicContact CD2-CG 4.46Å; T137-L142 HydrophobicContact CG2-CD2 3.46Å; T137-L142 VanDerWaalsContact CG2-CD2 3.46Å; S139-L142 PolarHBondContact OG-N 3.27Å; L142-A144 PolarHBondContact O-N 3.42Å; L142-V145 HydrophobicContact CD1-CG2 4.35Å; L142-V145 PolarHBondContact O-N 3.36Å |
| 143 | S | 94.9 | Very high | 96 | Very high | 19 Ų | 19 | 83.5 Ų | 83.5 | 13% | 0.133 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.4 | -22.8 | 172 | -175.7 | 0 | 0 | 0 | 0 | 113.5 | G130 S139 M140 L141 Y147 | G130-S143 PolarHBondContact O-OG 3.02Å; S139-S143 WeakPolarHBondContact O-CB 3.34Å; S139-S143 PolarHBondContact O-N 2.92Å; S139-S143 VanDerWaalsContact O-N 3.09Å; M140-S143 PolarHBondContact O-N 3.33Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.42Å; S143-Y147 VanDerWaalsContact O-CD2 3.29Å; S143-Y147 WeakPolarHBondContact O-CD2 3.34Å; S143-Y147 WeakPolarHBondContact O-CE2 3.42Å |
| 144 | A | 96.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 81.6 Ų | 81.6 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -80.2 | -23.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | M140 L141 L142 Y147 V148 | M140-A144 PolarHBondContact O-N 3.37Å; L141-A144 WeakPolarHBondContact O-CB 3.45Å; L141-A144 PolarHBondContact O-N 2.88Å; L141-A144 VanDerWaalsContact O-N 3.12Å; L142-A144 PolarHBondContact O-N 3.42Å; A144-Y147 WeakPolarHBondContact O-CB 3.47Å; A144-Y147 PolarHBondContact O-N 3.43Å; A144-V148 PolarHBondContact O-N 3.33Å; A144-V148 VanDerWaalsContact O-N 3.1Å |
| 145 | V | 97.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 79.7 Ų | 79.7 | 40% | 0.4 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.2 | -47.6 | -175.9 | 175.1 | 0 | 0 | 0 | 0 | 113.1 | L141 L142 Y147 V148 L149 | L141-V145 PolarHBondContact O-N 3.24Å; L142-V145 HydrophobicContact CD1-CG2 4.35Å; L142-V145 PolarHBondContact O-N 3.36Å; V145-Y147 VanDerWaalsContact C-N 3.25Å; V145-Y147 PolarHBondContact O-N 2.87Å; V145-V148 PolarHBondContact O-N 3.1Å; V145-L149 HydrophobicContact CG1-CD1 4.03Å; V145-L149 HydrophobicContact CG1-CG 4.33Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.28Å |
| 146 | P | 97.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 78.2 Ų | 78.2 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.3 | -33.1 | 178.1 | -24.8 | 35.8 | 0 | 0 | 0 | 113.7 | A126 L129 L133 Y150 | A126-P146 HydrophobicContact CB-CB 4.3Å; L129-P146 HydrophobicContact CB-CB 4.07Å; L129-P146 HydrophobicContact CB-CG 3.91Å; L133-P146 HydrophobicContact CD1-CG 3.62Å; P146-Y150 VanDerWaalsContact O-CB 3.23Å; P146-Y150 WeakPolarHBondContact O-CB 3.22Å; P146-Y150 PolarHBondContact O-N 3.03Å |
| 147 | Y | 97.7 | Very high | 96.5 | Very high | 77 Ų | 77 | 68.6 Ų | 68.6 | 30% | 0.302 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -73.5 | -36.6 | 178.4 | -62 | -82.7 | 0 | 0 | 0 | 112.2 | W123 A126 S127 S143 A144 V145 Y150 L151 | W123-Y147 HydrophobicContact CE3-CD1 4.44Å; W123-Y147 HydrophobicContact CE3-CE1 4.35Å; W123-Y147 HydrophobicContact CH2-CD1 4.33Å; W123-Y147 AromaticContact CH2-CE1 3.8Å; W123-Y147 HydrophobicContact CH2-CE1 3.8Å; W123-Y147 AromaticContact CZ3-CD1 3.77Å; W123-Y147 HydrophobicContact CZ3-CD1 3.77Å; W123-Y147 AromaticContact CZ3-CE1 3.64Å; W123-Y147 HydrophobicContact CZ3-CE1 3.64Å; A126-Y147 HydrophobicContact CB-CD1 4.22Å; A126-Y147 HydrophobicContact CB-CE1 4.48Å; S127-Y147 WeakPolarHBondContact CA-OH 3.49Å; S143-Y147 VanDerWaalsContact O-CD2 3.29Å; S143-Y147 WeakPolarHBondContact O-CD2 3.34Å; S143-Y147 WeakPolarHBondContact O-CE2 3.42Å; A144-Y147 WeakPolarHBondContact O-CB 3.47Å; A144-Y147 PolarHBondContact O-N 3.43Å; V145-Y147 VanDerWaalsContact C-N 3.25Å; V145-Y147 PolarHBondContact O-N 2.87Å; Y147-Y150 WeakPolarHBondContact O-CB 3.46Å; Y147-Y150 PolarHBondContact O-N 3.44Å; Y147-L151 WeakPolarHBondContact O-CB 3.28Å; Y147-L151 PolarHBondContact O-N 2.96Å |
| 148 | V | 97.7 | Very high | 96.6 | Very high | 81 Ų | 81 | 66.1 Ų | 66.1 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | A144 V145 Y150 L151 L152 | A144-V148 PolarHBondContact O-N 3.33Å; A144-V148 VanDerWaalsContact O-N 3.1Å; V145-V148 PolarHBondContact O-N 3.1Å; V148-Y150 VanDerWaalsContact C-N 3.32Å; V148-Y150 PolarHBondContact O-N 3.32Å; V148-L151 PolarHBondContact O-N 2.82Å; V148-L152 HydrophobicContact CG1-CD1 3.98Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.44Å |
| 149 | L | 97.3 | Very high | 96.7 | Very high | 111 Ų | 111 | 61.8 Ų | 61.8 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.4 | -41.3 | 176.4 | -68.1 | 176.5 | 0 | 0 | 0 | 112 | V145 G153 | V145-L149 HydrophobicContact CG1-CD1 4.03Å; V145-L149 HydrophobicContact CG1-CG 4.33Å; V145-L149 WeakPolarHBondContact O-CG 3.39Å; V145-L149 PolarHBondContact O-N 3.28Å; L149-G153 PolarHBondContact O-N 3.46Å |
| 150 | Y | 97.4 | Very high | 96.9 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.1 | -51 | 172.2 | 160.9 | -106 | 0 | 0 | 0 | 111.9 | A119 W122 W123 A126 P146 Y147 V148 L154 | A119-Y150 WeakPolarHBondContact O-CE2 3.2Å; A119-Y150 PolarHBondContact O-OH 2.92Å; W122-Y150 HydrophobicContact CB-CD2 3.49Å; W122-Y150 VanDerWaalsContact CB-CD2 3.49Å; W122-Y150 HydrophobicContact CB-CE2 3.77Å; W122-Y150 HydrophobicContact CE3-CD2 4.42Å; W123-Y150 HydrophobicContact CB-CE2 4.39Å; W123-Y150 HydrophobicContact CE3-CE1 4.25Å; A126-Y150 HydrophobicContact CB-CG 4.32Å; P146-Y150 VanDerWaalsContact O-CB 3.23Å; P146-Y150 WeakPolarHBondContact O-CB 3.22Å; P146-Y150 PolarHBondContact O-N 3.03Å; Y147-Y150 WeakPolarHBondContact O-CB 3.46Å; Y147-Y150 PolarHBondContact O-N 3.44Å; V148-Y150 VanDerWaalsContact C-N 3.32Å; V148-Y150 PolarHBondContact O-N 3.32Å; Y150-L154 HydrophobicContact CE2-CD2 4.44Å; Y150-L154 VanDerWaalsContact O-CB 3.29Å; Y150-L154 WeakPolarHBondContact O-CB 3.3Å; Y150-L154 PolarHBondContact O-N 3.2Å |
| 151 | L | 97.8 | Very high | 97 | Very high | 104 Ų | 104 | 52 Ų | 52 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | -178.1 | -177.3 | 63.2 | 0 | 0 | 0 | 111.4 | Y147 V148 G153 L154 V155 | Y147-L151 WeakPolarHBondContact O-CB 3.28Å; Y147-L151 PolarHBondContact O-N 2.96Å; V148-L151 PolarHBondContact O-N 2.82Å; L151-G153 PolarHBondContact O-N 3.38Å; L151-L154 PolarHBondContact O-N 3.06Å; L151-V155 VanDerWaalsContact O-CG2 3.32Å; L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.08Å |
| 152 | L | 97.8 | Very high | 97.2 | Very high | 111 Ų | 111 | 45.7 Ų | 45.7 | 58% | 0.581 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60 | -46.2 | 179.4 | -71.2 | 175.7 | 0 | 0 | 0 | 111.7 | V148 V155 A156 | V148-L152 HydrophobicContact CG1-CD1 3.98Å; V148-L152 HydrophobicContact CG1-CG 4.34Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 3.44Å; L152-V155 PolarHBondContact O-N 3.46Å; L152-A156 PolarHBondContact O-N 3.19Å |
| 153 | G | 97.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 42.5 Ų | 42.5 | 19% | 0.186 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72 | -32.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L149 L151 V155 A156 V157 | L149-G153 PolarHBondContact O-N 3.46Å; L151-G153 PolarHBondContact O-N 3.38Å; G153-V155 VanDerWaalsContact C-N 3.34Å; G153-A156 WeakPolarHBondContact O-CB 3.41Å; G153-A156 PolarHBondContact O-N 2.91Å; G153-V157 WeakPolarHBondContact O-CG2 3.49Å; G153-V157 PolarHBondContact O-N 3.07Å |
| 154 | L | 97.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 8% | 0.079 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 172.8 | -178.6 | 59.8 | 0 | 0 | 0 | 111.5 | T118 A119 Y150 L151 V157 G158 | T118-L154 HydrophobicContact CG2-CD1 4.27Å; A119-L154 HydrophobicContact CB-CD1 3.85Å; A119-L154 HydrophobicContact CB-CD2 3.78Å; Y150-L154 HydrophobicContact CE2-CD2 4.44Å; Y150-L154 VanDerWaalsContact O-CB 3.29Å; Y150-L154 WeakPolarHBondContact O-CB 3.3Å; Y150-L154 PolarHBondContact O-N 3.2Å; L151-L154 PolarHBondContact O-N 3.06Å; L154-V157 PolarHBondContact O-N 3.5Å; L154-G158 PolarHBondContact O-N 2.96Å |
| 155 | V | 97.7 | Very high | 97.3 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 43% | 0.43 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 172.5 | 169 | 0 | 0 | 0 | 0 | 110.7 | L151 L152 G153 G158 F159 | L151-V155 VanDerWaalsContact O-CG2 3.32Å; L151-V155 WeakPolarHBondContact O-CG2 3.35Å; L151-V155 PolarHBondContact O-N 3.08Å; L152-V155 PolarHBondContact O-N 3.46Å; G153-V155 VanDerWaalsContact C-N 3.34Å; V155-G158 PolarHBondContact O-N 3.37Å; V155-F159 HydrophobicContact CG1-CD2 3.53Å; V155-F159 HydrophobicContact CG1-CE2 3.41Å; V155-F159 VanDerWaalsContact CG1-CE2 3.41Å; V155-F159 WeakPolarHBondContact O-CD2 3.47Å; V155-F159 PolarHBondContact O-N 2.92Å |
| 156 | A | 97.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 28% | 0.281 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L152 G153 S160 | L152-A156 PolarHBondContact O-N 3.19Å; G153-A156 WeakPolarHBondContact O-CB 3.41Å; G153-A156 PolarHBondContact O-N 2.91Å; A156-S160 WeakPolarHBondContact O-CB 3.21Å; A156-S160 PolarHBondContact O-N 2.94Å |
| 157 | V | 97.8 | Very high | 97.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.012 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 172.7 | 171.9 | 0 | 0 | 0 | 0 | 109.5 | H114 T118 W122 G153 L154 F159 S160 R161 | H114-V157 HydrophobicContact CB-CG1 4.49Å; T118-V157 HydrophobicContact CG2-CG2 4.28Å; W122-V157 HydrophobicContact CH2-CG2 4.41Å; G153-V157 WeakPolarHBondContact O-CG2 3.49Å; G153-V157 PolarHBondContact O-N 3.07Å; L154-V157 PolarHBondContact O-N 3.5Å; V157-F159 PolarHBondContact O-N 2.94Å; V157-S160 WeakPolarHBondContact O-CB 3.34Å; V157-S160 PolarHBondContact O-N 2.98Å; V157-S160 VanDerWaalsContact O-N 3.13Å; V157-S160 PolarHBondContact O-OG 3.13Å; V157-R161 WeakPolarHBondContact O-CG 3.35Å; V157-R161 PolarHBondContact O-N 3.37Å; V157-R161 VanDerWaalsContact O-N 3.11Å |
| 158 | G | 97.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.7 | -50.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L154 V155 S160 R161 I162 | L154-G158 PolarHBondContact O-N 2.96Å; V155-G158 PolarHBondContact O-N 3.37Å; G158-S160 VanDerWaalsContact C-N 3.33Å; G158-S160 PolarHBondContact O-N 3.31Å; G158-R161 PolarHBondContact O-N 3.17Å; G158-I162 PolarHBondContact O-N 3.32Å |
| 159 | F | 97.6 | Very high | 97.2 | Very high | 91 Ų | 91 | 29.8 Ų | 29.8 | 40% | 0.399 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.5 | -38.9 | 175.4 | -79.5 | -56 | 0 | 0 | 0 | 112.5 | L15 W26 V155 V157 R161 I162 F163 | L15-F159 HydrophobicContact CD1-CD1 4.33Å; L15-F159 HydrophobicContact CD2-CB 4.21Å; L15-F159 HydrophobicContact CD2-CD1 3.98Å; L15-F159 WeakPolarHBondContact CD2-O 3.5Å; W26-F159 HydrophobicContact CE3-CB 4.34Å; W26-F159 HydrophobicContact CH2-CB 3.88Å; W26-F159 HydrophobicContact CZ3-CB 3.59Å; V155-F159 HydrophobicContact CG1-CD2 3.53Å; V155-F159 HydrophobicContact CG1-CE2 3.41Å; V155-F159 VanDerWaalsContact CG1-CE2 3.41Å; V155-F159 WeakPolarHBondContact O-CD2 3.47Å; V155-F159 PolarHBondContact O-N 2.92Å; V157-F159 PolarHBondContact O-N 2.94Å; F159-R161 PolarHBondContact O-N 3.36Å; F159-I162 HydrophobicContact CD1-CD1 4.34Å; F159-I162 PolarHBondContact O-N 2.98Å; F159-F163 WeakPolarHBondContact O-CB 3.29Å; F159-F163 PolarHBondContact O-N 2.98Å |
| 160 | S | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.7 | -38.1 | 175.8 | 77 | 0 | 0 | 0 | 0 | 112.4 | W26 T30 A156 V157 G158 F163 I164 | W26-S160 VanDerWaalsContact O-CB 3.27Å; W26-S160 WeakPolarHBondContact O-CB 3.4Å; T30-S160 WeakPolarHBondContact CA-OG 3.25Å; T30-S160 PolarHBondContact N-OG 3.47Å; A156-S160 WeakPolarHBondContact O-CB 3.21Å; A156-S160 PolarHBondContact O-N 2.94Å; V157-S160 WeakPolarHBondContact O-CB 3.34Å; V157-S160 PolarHBondContact O-N 2.98Å; V157-S160 VanDerWaalsContact O-N 3.13Å; V157-S160 PolarHBondContact O-OG 3.13Å; G158-S160 VanDerWaalsContact C-N 3.33Å; G158-S160 PolarHBondContact O-N 3.31Å; S160-F163 PolarHBondContact O-N 3.05Å; S160-I164 WeakPolarHBondContact O-CG1 3.29Å; S160-I164 PolarHBondContact O-N 2.96Å |
| 161 | R | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 0% | 0.004 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70 | -33.2 | -179.6 | -62.4 | -49 | -65.6 | -177.7 | -6.9 | 113.1 | T30 E105 H114 V157 G158 F159 A166 H167 V172 | T30-R161 WeakPolarHBondContact OG1-CD 3.4Å; T30-R161 PolarHBondContact OG1-NH1 2.87Å; E105-R161 IonicContact OE1-CZ 2.72Å; E105-R161 IonicContact OE1-NH1 2.69Å; E105-R161 PolarHBondContact OE1-NH1 3.21Å; E105-R161 IonicContact OE1-NH2 3.2Å; E105-R161 PolarHBondContact OE1-NH2 3.18Å; E105-R161 IonicContact OE2-NH2 3.36Å; E105-R161 PolarHBondContact OE2-NH2 3.08Å; E105-R161 VanDerWaalsContact OE2-NH2 3.08Å; H114-R161 HydrophobicContact CB-CG 4.17Å; H114-R161 PolarHBondContact CD2-NH1 3.28Å; H114-R161 PolarHBondContact CE1-NH1 2.81Å; H114-R161 VanDerWaalsContact CE1-NH1 3.33Å; H114-R161 PolarHBondContact NE2-NH1 3.32Å; V157-R161 WeakPolarHBondContact O-CG 3.35Å; V157-R161 PolarHBondContact O-N 3.37Å; V157-R161 VanDerWaalsContact O-N 3.11Å; G158-R161 PolarHBondContact O-N 3.17Å; F159-R161 PolarHBondContact O-N 3.36Å; R161-A166 PolarHBondContact O-N 2.82Å; R161-A166 VanDerWaalsContact O-N 3.11Å; R161-H167 HydrophobicContact CB-CB 4.41Å; R161-H167 PolarHBondContact NH2-CD2 3.36Å; R161-H167 PolarHBondContact NH2-NE2 3.04Å; R161-H167 PolarHBondContact O-N 3.46Å; R161-V172 HydrophobicContact CB-CG2 4.15Å |
| 162 | I | 97.6 | Very high | 97.3 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 5% | 0.051 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.9 | -45.5 | 172.9 | -60.7 | 162.4 | 0 | 0 | 0 | 109.4 | I11 A12 L15 G158 F159 I164 L165 P169 V172 | I11-I162 HydrophobicContact CG2-CG2 4.36Å; A12-I162 HydrophobicContact CB-CG2 3.83Å; L15-I162 HydrophobicContact CD2-CB 4.29Å; L15-I162 HydrophobicContact CD2-CG2 4.27Å; G158-I162 PolarHBondContact O-N 3.32Å; F159-I162 HydrophobicContact CD1-CD1 4.34Å; F159-I162 PolarHBondContact O-N 2.98Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 3.08Å; I162-L165 PolarHBondContact O-N 3.32Å; I162-P169 HydrophobicContact CD1-CB 4.07Å; I162-P169 HydrophobicContact CD1-CG 3.97Å; I162-P169 HydrophobicContact CG1-CG 4.34Å; I162-V172 HydrophobicContact CG1-CG2 4.14Å |
| 163 | F | 97 | Very high | 97.3 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 1% | 0.013 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 178.9 | -179.2 | -88.5 | 0 | 0 | 0 | 111.9 | L15 Q16 D23 W26 F100 F159 S160 L165 | L15-F163 HydrophobicContact CD2-CB 3.83Å; L15-F163 HydrophobicContact CG-CB 4.4Å; L15-F163 HydrophobicContact CG-CD2 4.17Å; Q16-F163 HydrophobicContact CB-CD2 4.47Å; Q16-F163 HydrophobicContact CB-CE2 4.26Å; Q16-F163 HydrophobicContact CG-CD2 3.85Å; Q16-F163 HydrophobicContact CG-CE2 3.91Å; Q16-F163 HydrophobicContact CG-CG 4.31Å; Q16-F163 HydrophobicContact CG-CZ 4.38Å; Q16-F163 PolarHBondContact NE2-O 3.26Å; D23-F163 HydrophobicContact CB-CE1 4.23Å; D23-F163 HydrophobicContact CB-CZ 3.98Å; W26-F163 HydrophobicContact CB-CB 4.44Å; W26-F163 HydrophobicContact CB-CD1 3.69Å; W26-F163 HydrophobicContact CB-CE1 4.04Å; W26-F163 HydrophobicContact CB-CG 4.02Å; W26-F163 AromaticContact CD1-CD1 3.97Å; W26-F163 AromaticContact CD1-CD2 3.52Å; W26-F163 AromaticContact CD1-CE1 3.93Å; W26-F163 AromaticContact CD1-CE2 3.46Å; W26-F163 VanDerWaalsContact CD1-CE2 3.46Å; W26-F163 AromaticContact CD1-CG 3.79Å; W26-F163 AromaticContact CD1-CZ 3.7Å; W26-F163 HydrophobicContact CG-CB 4.34Å; W26-F163 HydrophobicContact CG-CD1 4.01Å; W26-F163 HydrophobicContact CG-CD2 4.06Å; W26-F163 HydrophobicContact CG-CE1 4.3Å; W26-F163 HydrophobicContact CG-CE2 4.34Å; W26-F163 AromaticContact CG-CG 3.89Å; W26-F163 HydrophobicContact CG-CG 3.89Å; W26-F163 HydrophobicContact CG-CZ 4.48Å; W26-F163 AromaticContact NE1-CD2 3.83Å; W26-F163 AromaticContact NE1-CE2 3.88Å; F100-F163 HydrophobicContact CE1-CE1 4.11Å; F100-F163 AromaticContact CE2-CD1 3.93Å; F100-F163 HydrophobicContact CE2-CD1 3.93Å; F100-F163 AromaticContact CE2-CE1 3.55Å; F100-F163 HydrophobicContact CE2-CE1 3.55Å; F100-F163 HydrophobicContact CE2-CZ 4.36Å; F100-F163 HydrophobicContact CZ-CD1 4.16Å; F100-F163 AromaticContact CZ-CE1 3.31Å; F100-F163 HydrophobicContact CZ-CE1 3.31Å; F100-F163 AromaticContact CZ-CZ 3.88Å; F100-F163 HydrophobicContact CZ-CZ 3.88Å; F159-F163 WeakPolarHBondContact O-CB 3.29Å; F159-F163 PolarHBondContact O-N 2.98Å; S160-F163 PolarHBondContact O-N 3.05Å; F163-L165 PolarHBondContact O-N 3.19Å |
| 164 | I | 95.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 8.6 | 178.8 | 68.4 | 173.1 | 0 | 0 | 0 | 114 | L27 T30 F100 T103 S160 I162 A166 | L27-I164 HydrophobicContact CD2-CG2 3.91Å; T30-I164 HydrophobicContact CG2-CD1 4.24Å; F100-I164 HydrophobicContact CD2-CB 4.13Å; F100-I164 HydrophobicContact CD2-CG2 3.95Å; F100-I164 HydrophobicContact CG-CG2 4.37Å; T103-I164 VanDerWaalsContact CB-O 3.3Å; T103-I164 WeakPolarHBondContact CB-O 3.15Å; T103-I164 VanDerWaalsContact CG2-O 3.26Å; T103-I164 WeakPolarHBondContact CG2-O 3.32Å; T103-I164 PolarHBondContact OG1-O 2.93Å; S160-I164 WeakPolarHBondContact O-CG1 3.29Å; S160-I164 PolarHBondContact O-N 2.96Å; I162-I164 VanDerWaalsContact C-N 3.33Å; I162-I164 PolarHBondContact O-N 3.08Å; I164-A166 HydrophobicContact CD1-CB 3.81Å; I164-A166 HydrophobicContact CG1-CB 3.74Å; I164-A166 PolarHBondContact O-N 3.39Å; I164-A166 VanDerWaalsContact O-N 3.15Å |
| 165 | L | 96.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 20.4 | 178.8 | -52.8 | 173.2 | 0 | 0 | 0 | 115.1 | A12 P80 F81 L97 Q98 Q99 T103 I162 F163 | A12-L165 HydrophobicContact CB-CD2 3.73Å; P80-L165 HydrophobicContact CB-CB 4.16Å; P80-L165 HydrophobicContact CB-CD2 4.25Å; P80-L165 WeakPolarHBondContact CD-O 3.06Å; F81-L165 HydrophobicContact CB-CB 4.08Å; F81-L165 PolarHBondContact N-O 3.47Å; L97-L165 HydrophobicContact CB-CD1 3.92Å; L97-L165 HydrophobicContact CD1-CD1 4.3Å; L97-L165 HydrophobicContact CD1-CD2 3.79Å; L97-L165 HydrophobicContact CD2-CD1 4.45Å; L97-L165 HydrophobicContact CD2-CD2 3.86Å; L97-L165 HydrophobicContact CG-CD1 4.46Å; L97-L165 HydrophobicContact CG-CD2 4.31Å; Q98-L165 WeakPolarHBondContact O-CD1 3.4Å; Q99-L165 HydrophobicContact CG-CD1 4.47Å; T103-L165 HydrophobicContact CG2-CB 4.12Å; I162-L165 PolarHBondContact O-N 3.32Å; F163-L165 PolarHBondContact O-N 3.19Å |
| 166 | A | 94.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -83 | -27 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R79 R161 I164 | R79-A166 WeakPolarHBondContact CD-O 3.46Å; R79-A166 WeakPolarHBondContact CG-O 3.3Å; R79-A166 PolarHBondContact NH1-O 2.7Å; R161-A166 PolarHBondContact O-N 2.82Å; R161-A166 VanDerWaalsContact O-N 3.11Å; I164-A166 HydrophobicContact CD1-CB 3.81Å; I164-A166 HydrophobicContact CG1-CB 3.74Å; I164-A166 PolarHBondContact O-N 3.39Å; I164-A166 VanDerWaalsContact O-N 3.15Å |
| 167 | H | 97.2 | Very high | 97.5 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | trans | -146.7 | 150.5 | -179.2 | -67.1 | -75.8 | 0 | 0 | 0 | 113.3 | G109 S112 R161 Q171 V172 | G109-H167 PolarHBondContact O-CE1 3.46Å; G109-H167 PolarHBondContact O-ND1 3.35Å; S112-H167 PolarHBondContact OG-CD2 3.45Å; S112-H167 PolarHBondContact OG-NE2 3.3Å; S112-H167 VanDerWaalsContact OG-NE2 3.14Å; R161-H167 HydrophobicContact CB-CB 4.41Å; R161-H167 PolarHBondContact NH2-CD2 3.36Å; R161-H167 PolarHBondContact NH2-NE2 3.04Å; R161-H167 PolarHBondContact O-N 3.46Å; H167-Q171 HydrophobicContact CB-CB 4.34Å; H167-Q171 PolarHBondContact ND1-OE1 2.93Å; H167-V172 HydrophobicContact CB-CG2 3.92Å | ||
| 168 | F | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -77.7 | 156.5 | 166.8 | -67 | -74.9 | 0 | 0 | 0 | 111.7 | H5 I9 E78 P80 W83 H170 Q171 V172 | H5-F168 HydrophobicContact CB-CD1 4.41Å; H5-F168 HydrophobicContact CB-CE1 3.74Å; H5-F168 HydrophobicContact CB-CE2 4.41Å; H5-F168 HydrophobicContact CB-CZ 3.74Å; H5-F168 AromaticContact CD2-CD2 3.83Å; H5-F168 AromaticContact CD2-CE2 3.78Å; H5-F168 AromaticContact CD2-CZ 3.97Å; H5-F168 AromaticContact CG-CE2 3.88Å; H5-F168 AromaticContact CG-CZ 3.7Å; H5-F168 AromaticContact NE2-CE2 3.96Å; H5-F168 WeakPolarHBondContact O-CE1 3.38Å; I9-F168 HydrophobicContact CG1-CE1 4.17Å; E78-F168 HydrophobicContact CB-CE2 4.21Å; P80-F168 HydrophobicContact CB-CE1 4.11Å; P80-F168 HydrophobicContact CB-CZ 4.21Å; P80-F168 HydrophobicContact CG-CD1 3.86Å; P80-F168 HydrophobicContact CG-CD2 4.13Å; P80-F168 HydrophobicContact CG-CE1 3.88Å; P80-F168 HydrophobicContact CG-CE2 4.14Å; P80-F168 HydrophobicContact CG-CG 4Å; P80-F168 HydrophobicContact CG-CZ 4.03Å; W83-F168 HydrophobicContact CB-CZ 4.05Å; W83-F168 HydrophobicContact CD2-CZ 4.15Å; W83-F168 HydrophobicContact CE3-CZ 4.09Å; W83-F168 HydrophobicContact CG-CZ 4.14Å; F168-H170 VanDerWaalsContact C-N 3.33Å; F168-H170 VanDerWaalsContact CB-CE1 3.43Å; F168-H170 WeakPolarHBondContact CB-CE1 3.3Å; F168-H170 WeakPolarHBondContact CB-ND1 3.46Å; F168-H170 AromaticContact CG-CE1 3.93Å; F168-H170 PolarHBondContact O-N 3.38Å; F168-Q171 HydrophobicContact CB-CG 4.18Å; F168-Q171 WeakPolarHBondContact O-CB 3.45Å; F168-Q171 PolarHBondContact O-N 3.25Å; F168-V172 PolarHBondContact O-N 3.2Å | ||
| 169 | P | 97.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 24.4 Ų | 24.4 | 17% | 0.169 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.2 | -42.3 | -179.9 | -26.6 | 33.8 | 0 | 0 | 0 | 114.3 | I11 I162 Q171 V172 I173 | I11-P169 HydrophobicContact CB-CG 4.49Å; I11-P169 HydrophobicContact CD1-CG 4.07Å; I11-P169 HydrophobicContact CG2-CG 4.24Å; I162-P169 HydrophobicContact CD1-CB 4.07Å; I162-P169 HydrophobicContact CD1-CG 3.97Å; I162-P169 HydrophobicContact CG1-CG 4.34Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 3.39Å; P169-V172 WeakPolarHBondContact O-CB 3.39Å; P169-V172 PolarHBondContact O-N 2.99Å; P169-I173 WeakPolarHBondContact O-CG1 3.05Å; P169-I173 PolarHBondContact O-N 2.91Å |
| 170 | H | 96.8 | Very high | 97.6 | Very high | 55 Ų | 55 | 24 Ų | 24 | 26% | 0.255 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -63.4 | -32.4 | 179.2 | 71.9 | -85.8 | 0 | 0 | 0 | 112.8 | I4 H5 F168 A174 | I4-H170 HydrophobicContact CG2-CB 4.36Å; I4-H170 WeakPolarHBondContact CG2-ND1 3.2Å; H5-H170 AromaticContact CD2-CE1 3.64Å; H5-H170 AromaticContact NE2-CE1 3.62Å; F168-H170 VanDerWaalsContact C-N 3.33Å; F168-H170 VanDerWaalsContact CB-CE1 3.43Å; F168-H170 WeakPolarHBondContact CB-CE1 3.3Å; F168-H170 WeakPolarHBondContact CB-ND1 3.46Å; F168-H170 AromaticContact CG-CE1 3.93Å; F168-H170 PolarHBondContact O-N 3.38Å; H170-A174 VanDerWaalsContact O-CB 3.3Å; H170-A174 WeakPolarHBondContact O-CB 3.49Å; H170-A174 PolarHBondContact O-N 3.41Å |
| 171 | Q | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -72.1 | -35.3 | 177.5 | -59 | 176 | -32.5 | 0 | 0 | 111.8 | E78 G109 S110 S112 H167 F168 P169 G175 | E78-Q171 PolarHBondContact O-NE2 3.23Å; G109-Q171 VanDerWaalsContact O-CD 3.3Å; G109-Q171 PolarHBondContact O-OE1 3.03Å; S110-Q171 WeakPolarHBondContact OG-CG 3.35Å; S110-Q171 PolarHBondContact OG-NE2 3.45Å; S112-Q171 PolarHBondContact N-O 2.99Å; H167-Q171 HydrophobicContact CB-CB 4.34Å; H167-Q171 PolarHBondContact ND1-OE1 2.93Å; F168-Q171 HydrophobicContact CB-CG 4.18Å; F168-Q171 WeakPolarHBondContact O-CB 3.45Å; F168-Q171 PolarHBondContact O-N 3.25Å; P169-Q171 VanDerWaalsContact C-N 3.27Å; P169-Q171 PolarHBondContact O-N 3.39Å; Q171-G175 PolarHBondContact O-N 2.92Å |
| 172 | V | 98.3 | Very high | 97.6 | Very high | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.4 | -49.3 | 173.4 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | A115 R161 I162 H167 F168 P169 A174 G175 S176 | A115-V172 HydrophobicContact CB-CG1 4.13Å; R161-V172 HydrophobicContact CB-CG2 4.15Å; I162-V172 HydrophobicContact CG1-CG2 4.14Å; H167-V172 HydrophobicContact CB-CG2 3.92Å; F168-V172 PolarHBondContact O-N 3.2Å; P169-V172 WeakPolarHBondContact O-CB 3.39Å; P169-V172 PolarHBondContact O-N 2.99Å; V172-A174 PolarHBondContact O-N 2.93Å; V172-G175 PolarHBondContact O-N 3.49Å; V172-S176 WeakPolarHBondContact O-CB 3.32Å; V172-S176 PolarHBondContact O-N 2.87Å; V172-S176 PolarHBondContact O-OG 3.47Å |
| 173 | I | 98.1 | Very high | 97.7 | Very high | 103 Ų | 103 | 29.6 Ų | 29.6 | 53% | 0.528 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -58.5 | -50 | 178.1 | -66.1 | 164.8 | 0 | 0 | 0 | 110.7 | P169 G175 S176 L177 | P169-I173 WeakPolarHBondContact O-CG1 3.05Å; P169-I173 PolarHBondContact O-N 2.91Å; I173-G175 VanDerWaalsContact C-N 3.31Å; I173-G175 PolarHBondContact O-N 3.4Å; I173-S176 PolarHBondContact O-N 2.66Å; I173-L177 HydrophobicContact CG2-CD1 3.94Å; I173-L177 HydrophobicContact CG2-CG 4.38Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.11Å |
| 174 | A | 98.1 | Very high | 97.7 | Very high | 42 Ų | 42 | 30.8 Ų | 30.8 | 35% | 0.347 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P111 H170 V172 T178 | P111-A174 HydrophobicContact CB-CB 4.27Å; H170-A174 VanDerWaalsContact O-CB 3.3Å; H170-A174 WeakPolarHBondContact O-CB 3.49Å; H170-A174 PolarHBondContact O-N 3.41Å; V172-A174 PolarHBondContact O-N 2.93Å; A174-T178 WeakPolarHBondContact O-CB 3.41Å; A174-T178 PolarHBondContact O-N 2.74Å; A174-T178 PolarHBondContact O-OG1 2.9Å |
| 175 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -52 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | M116 Q171 V172 I173 L177 T178 G179 | M116-G175 WeakPolarHBondContact CA-O 3.29Å; M116-G175 WeakPolarHBondContact CB-O 3.44Å; Q171-G175 PolarHBondContact O-N 2.92Å; V172-G175 PolarHBondContact O-N 3.49Å; I173-G175 VanDerWaalsContact C-N 3.31Å; I173-G175 PolarHBondContact O-N 3.4Å; G175-L177 PolarHBondContact O-N 3.41Å; G175-T178 PolarHBondContact O-N 3.47Å; G175-G179 PolarHBondContact O-N 2.86Å |
| 176 | S | 98.6 | Very high | 97.9 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 179.6 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | A119 V172 I173 G179 F180 | A119-S176 WeakPolarHBondContact CB-O 3.34Å; V172-S176 WeakPolarHBondContact O-CB 3.32Å; V172-S176 PolarHBondContact O-N 2.87Å; V172-S176 PolarHBondContact O-OG 3.47Å; I173-S176 PolarHBondContact O-N 2.66Å; S176-G179 PolarHBondContact O-N 2.98Å; S176-F180 WeakPolarHBondContact O-CB 3.39Å; S176-F180 PolarHBondContact O-N 3.31Å |
| 177 | L | 98.4 | Very high | 97.9 | Very high | 108 Ų | 108 | 36.1 Ų | 36.1 | 57% | 0.565 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -64 | -47.7 | 178.2 | -70.5 | 175.8 | 0 | 0 | 0 | 111.6 | I173 G175 G179 F180 I181 | I173-L177 HydrophobicContact CG2-CD1 3.94Å; I173-L177 HydrophobicContact CG2-CG 4.38Å; I173-L177 WeakPolarHBondContact O-CG 3.48Å; I173-L177 PolarHBondContact O-N 3.11Å; G175-L177 PolarHBondContact O-N 3.41Å; L177-G179 VanDerWaalsContact C-N 3.33Å; L177-G179 PolarHBondContact O-N 3.03Å; L177-F180 PolarHBondContact O-N 3.12Å; L177-I181 WeakPolarHBondContact O-CG1 3.13Å; L177-I181 PolarHBondContact O-N 2.93Å; L177-I181 VanDerWaalsContact O-N 3.07Å |
| 178 | T | 98.4 | Very high | 97.7 | Very high | 38 Ų | 38 | 45.1 Ų | 45.1 | 23% | 0.233 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 178.1 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | F71 M116 A174 G175 F180 I181 L182 | F71-T178 HydrophobicContact CE2-CG2 3.9Å; M116-T178 HydrophobicContact CE-CG2 3.56Å; M116-T178 HydrophobicContact SD-CG2 4.16Å; A174-T178 WeakPolarHBondContact O-CB 3.41Å; A174-T178 PolarHBondContact O-N 2.74Å; A174-T178 PolarHBondContact O-OG1 2.9Å; G175-T178 PolarHBondContact O-N 3.47Å; T178-F180 PolarHBondContact O-N 2.82Å; T178-I181 PolarHBondContact O-N 3.06Å; T178-L182 HydrophobicContact CG2-CD1 4.32Å; T178-L182 WeakPolarHBondContact O-CG 3.29Å; T178-L182 PolarHBondContact O-N 3.25Å |
| 179 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | M116 A120 G175 S176 L177 I181 L182 G183 | M116-G179 WeakPolarHBondContact O-CA 3.35Å; A120-G179 WeakPolarHBondContact CA-O 3.17Å; A120-G179 WeakPolarHBondContact CB-O 3.33Å; A120-G179 PolarHBondContact N-O 3.16Å; G175-G179 PolarHBondContact O-N 2.86Å; S176-G179 PolarHBondContact O-N 2.98Å; L177-G179 VanDerWaalsContact C-N 3.33Å; L177-G179 PolarHBondContact O-N 3.03Å; G179-I181 PolarHBondContact O-N 3.02Å; G179-L182 PolarHBondContact O-N 3.11Å; G179-G183 PolarHBondContact O-N 3.44Å |
| 180 | F | 98.5 | Very high | 97.4 | Very high | 82 Ų | 82 | 51.4 Ų | 51.4 | 36% | 0.36 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -57.9 | -48.5 | 174.5 | 171.7 | -100.9 | 0 | 0 | 0 | 111.9 | W123 S176 L177 T178 L182 G183 V184 | W123-F180 HydrophobicContact CD2-CD2 4.29Å; W123-F180 HydrophobicContact CD2-CE2 4.04Å; W123-F180 AromaticContact CE3-CD2 3.92Å; W123-F180 HydrophobicContact CE3-CD2 3.92Å; W123-F180 AromaticContact CE3-CE2 3.52Å; W123-F180 HydrophobicContact CE3-CE2 3.52Å; W123-F180 AromaticContact CH2-CE2 3.91Å; W123-F180 HydrophobicContact CH2-CE2 3.91Å; W123-F180 HydrophobicContact CH2-CZ 4.37Å; W123-F180 HydrophobicContact CZ2-CE2 4.41Å; W123-F180 HydrophobicContact CZ3-CD2 4.31Å; W123-F180 AromaticContact CZ3-CE2 3.46Å; W123-F180 HydrophobicContact CZ3-CE2 3.46Å; W123-F180 VanDerWaalsContact CZ3-CE2 3.46Å; W123-F180 HydrophobicContact CZ3-CZ 4.32Å; S176-F180 WeakPolarHBondContact O-CB 3.39Å; S176-F180 PolarHBondContact O-N 3.31Å; L177-F180 PolarHBondContact O-N 3.12Å; T178-F180 PolarHBondContact O-N 2.82Å; F180-L182 VanDerWaalsContact C-N 3.35Å; F180-L182 PolarHBondContact O-N 3.14Å; F180-G183 PolarHBondContact O-N 2.91Å; F180-V184 HydrophobicContact CD2-CG2 4.46Å; F180-V184 HydrophobicContact CE1-CG2 4.19Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CZ-CG2 3.92Å; F180-V184 WeakPolarHBondContact O-CG2 3.34Å; F180-V184 PolarHBondContact O-N 3.02Å |
| 181 | I | 98.5 | Very high | 97.3 | Very high | 102 Ų | 102 | 48.9 Ų | 48.9 | 52% | 0.523 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 178.1 | -65.8 | 167.4 | 0 | 0 | 0 | 110.4 | L177 T178 G179 G183 V184 V185 | L177-I181 WeakPolarHBondContact O-CG1 3.13Å; L177-I181 PolarHBondContact O-N 2.93Å; L177-I181 VanDerWaalsContact O-N 3.07Å; T178-I181 PolarHBondContact O-N 3.06Å; G179-I181 PolarHBondContact O-N 3.02Å; I181-G183 PolarHBondContact O-N 3.36Å; I181-V184 PolarHBondContact O-N 3.34Å; I181-V185 HydrophobicContact CG2-CG2 4.38Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 3.07Å |
| 182 | L | 98.3 | Very high | 97.1 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 14% | 0.136 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.4 | -71 | 177.1 | 0 | 0 | 0 | 112.1 | L67 M116 A120 T178 G179 F180 V184 V185 L186 | L67-L182 HydrophobicContact CD2-CD1 3.88Å; L67-L182 HydrophobicContact CD2-CD2 3.99Å; L67-L182 HydrophobicContact CD2-CG 4.41Å; M116-L182 HydrophobicContact CE-CD1 3.35Å; A120-L182 HydrophobicContact CB-CB 4.49Å; T178-L182 HydrophobicContact CG2-CD1 4.32Å; T178-L182 WeakPolarHBondContact O-CG 3.29Å; T178-L182 PolarHBondContact O-N 3.25Å; G179-L182 PolarHBondContact O-N 3.11Å; F180-L182 VanDerWaalsContact C-N 3.35Å; F180-L182 PolarHBondContact O-N 3.14Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.28Å; L182-V185 PolarHBondContact O-N 3.39Å; L182-L186 HydrophobicContact CB-CD1 4.22Å; L182-L186 HydrophobicContact CD2-CD1 4.35Å; L182-L186 WeakPolarHBondContact O-CB 3.42Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.01Å |
| 183 | G | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -47.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | G179 F180 I181 S187 | G179-G183 PolarHBondContact O-N 3.44Å; F180-G183 PolarHBondContact O-N 2.91Å; I181-G183 PolarHBondContact O-N 3.36Å; G183-S187 WeakPolarHBondContact O-CB 3.42Å; G183-S187 PolarHBondContact O-N 3.09Å; G183-S187 VanDerWaalsContact O-N 3.08Å; G183-S187 PolarHBondContact O-OG 3.37Å |
| 184 | V | 97.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 55.8 Ų | 55.8 | 17% | 0.17 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 177.9 | 174 | 0 | 0 | 0 | 0 | 112 | W123 F180 I181 L182 S187 R188 | W123-V184 HydrophobicContact CD2-CG2 4.13Å; W123-V184 VanDerWaalsContact CE2-CG2 3.48Å; W123-V184 HydrophobicContact CG-CG2 4.45Å; W123-V184 HydrophobicContact CZ2-CG2 3.72Å; F180-V184 HydrophobicContact CD2-CG2 4.46Å; F180-V184 HydrophobicContact CE1-CG2 4.19Å; F180-V184 HydrophobicContact CE2-CG2 4.08Å; F180-V184 HydrophobicContact CZ-CG2 3.92Å; F180-V184 WeakPolarHBondContact O-CG2 3.34Å; F180-V184 PolarHBondContact O-N 3.02Å; I181-V184 PolarHBondContact O-N 3.34Å; L182-V184 VanDerWaalsContact C-N 3.32Å; L182-V184 PolarHBondContact O-N 3.28Å; V184-S187 PolarHBondContact O-OG 3.5Å; V184-S187 VanDerWaalsContact O-OG 3.12Å; V184-R188 WeakPolarHBondContact O-CG 3.23Å |
| 185 | V | 97.9 | Very high | 96.7 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.4 | -51.3 | -175.3 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | I181 L182 R188 | I181-V185 HydrophobicContact CG2-CG2 4.38Å; I181-V185 WeakPolarHBondContact O-CG2 3.4Å; I181-V185 PolarHBondContact O-N 3.07Å; L182-V185 PolarHBondContact O-N 3.39Å; V185-R188 PolarHBondContact O-N 3.48Å |
| 186 | L | 97.1 | Very high | 96.7 | Very high | 18 Ų | 18 | 60 Ų | 60 | 9% | 0.094 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -75.2 | -28.6 | -173.4 | -62.4 | 174.5 | 0 | 0 | 0 | 112.5 | V60 I63 L182 R188 Q189 | V60-L186 HydrophobicContact CG2-CB 3.66Å; I63-L186 HydrophobicContact CB-CD1 3.8Å; I63-L186 HydrophobicContact CG2-CD1 3.68Å; I63-L186 HydrophobicContact CG2-CD2 4.26Å; L182-L186 HydrophobicContact CB-CD1 4.22Å; L182-L186 HydrophobicContact CD2-CD1 4.35Å; L182-L186 WeakPolarHBondContact O-CB 3.42Å; L182-L186 WeakPolarHBondContact O-CG 3.41Å; L182-L186 PolarHBondContact O-N 3.01Å; L186-R188 PolarHBondContact O-N 2.89Å; L186-Q189 CarbonylContact O-C 3.43Å; L186-Q189 PolarHBondContact O-N 3.44Å |
| 187 | S | 94.8 | Very high | 96.7 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 19% | 0.189 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.4 | -22.3 | 173.8 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | G183 V184 V190 | G183-S187 WeakPolarHBondContact O-CB 3.42Å; G183-S187 PolarHBondContact O-N 3.09Å; G183-S187 VanDerWaalsContact O-N 3.08Å; G183-S187 PolarHBondContact O-OG 3.37Å; V184-S187 PolarHBondContact O-OG 3.5Å; V184-S187 VanDerWaalsContact O-OG 3.12Å; S187-V190 VanDerWaalsContact O-CG2 3.32Å; S187-V190 WeakPolarHBondContact O-CG2 2.93Å |
| 188 | R | 93.8 | Very high | 96.6 | Very high | 190 Ų | 190 | 61.6 Ų | 61.6 | 72% | 0.717 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -23 | 174.3 | -64.1 | 174.3 | -178.2 | -176.3 | 0.4 | 112.4 | V184 V185 L186 | V184-R188 WeakPolarHBondContact O-CG 3.23Å; V185-R188 PolarHBondContact O-N 3.48Å; L186-R188 PolarHBondContact O-N 2.89Å |
| 189 | Q | 93.7 | Very high | 96.6 | Very high | 133 Ų | 133 | 59.8 Ų | 59.8 | 62% | 0.621 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -116.2 | 54.4 | -173.3 | -61.4 | -176.9 | 0.7 | 0 | 0 | 111.7 | W59 L186 | W59-Q189 PolarHBondContact NE1-O 3.43Å; L186-Q189 CarbonylContact O-C 3.43Å; L186-Q189 PolarHBondContact O-N 3.44Å |
| 190 | V | 95.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 15% | 0.145 | 32% | 0.324 | C | S | . | . | trans | -71.4 | 127 | 179.4 | -172.4 | 0 | 0 | 0 | 0 | 110 | R52 F55 A56 S187 E192 | R52-V190 HydrophobicContact CG-CG1 4.28Å; R52-V190 HydrophobicContact CG-CG2 4.48Å; F55-V190 HydrophobicContact CB-CG1 3.69Å; A56-V190 HydrophobicContact CB-CG1 4.12Å; A56-V190 HydrophobicContact CB-CG2 3.66Å; S187-V190 VanDerWaalsContact O-CG2 3.32Å; S187-V190 WeakPolarHBondContact O-CG2 2.93Å; V190-E192 HydrophobicContact CG1-CB 4.14Å; V190-E192 PolarHBondContact O-N 3.21Å | ||
| 191 | P | 94.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.019 | 33% | 0.331 | C | S | . | . | trans | -79.9 | 23.4 | -176.2 | 34.4 | -38.1 | 0 | 0 | 0 | 113.9 | W59 G193 R194 F198 F199 | W59-P191 HydrophobicContact CB-CG 4.15Å; W59-P191 HydrophobicContact CD2-CG 3.8Å; W59-P191 HydrophobicContact CE3-CG 3.95Å; W59-P191 HydrophobicContact CG-CG 3.89Å; P191-G193 PolarHBondContact O-N 2.9Å; P191-R194 HydrophobicContact CB-CG 4.09Å; P191-R194 WeakPolarHBondContact O-CB 3.24Å; P191-R194 WeakPolarHBondContact O-CG 2.95Å; P191-R194 PolarHBondContact O-N 3Å; P191-F198 HydrophobicContact CB-CD1 4.06Å; P191-F198 HydrophobicContact CB-CE1 3.39Å; P191-F198 HydrophobicContact CB-CZ 4.09Å; P191-F198 HydrophobicContact CG-CE1 4.27Å; P191-F199 HydrophobicContact CB-CE1 4.11Å; P191-F199 HydrophobicContact CB-CZ 4.01Å; P191-F199 HydrophobicContact CG-CE1 3.92Å; P191-F199 HydrophobicContact CG-CZ 4.18Å; P191-F199 WeakPolarHBondContact O-CZ 3.46Å | ||
| 192 | E | 94.3 | Very high | 96.6 | Very high | 53 Ų | 53 | 57.9 Ų | 57.9 | 25% | 0.248 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 131.6 | 177 | -174.3 | 179.9 | -167.6 | 0 | 0 | 110.2 | R51 R52 F55 V190 R194 | R51-E192 IonicContact CZ-OE1 3.18Å; R51-E192 IonicContact NE-OE1 3.81Å; R51-E192 PolarHBondContact NE-OE1 2.74Å; R51-E192 IonicContact NH2-OE1 2.74Å; R51-E192 PolarHBondContact NH2-OE1 3.34Å; R52-E192 VanDerWaalsContact CA-OE2 3.28Å; R52-E192 WeakPolarHBondContact CA-OE2 3.36Å; R52-E192 WeakPolarHBondContact CB-OE2 3.35Å; R52-E192 WeakPolarHBondContact CG-OE2 3.32Å; F55-E192 HydrophobicContact CB-CB 4.44Å; F55-E192 HydrophobicContact CD1-CB 4.27Å; F55-E192 HydrophobicContact CD2-CG 4.41Å; F55-E192 HydrophobicContact CG-CB 4.24Å; F55-E192 HydrophobicContact CG-CG 4.41Å; V190-E192 HydrophobicContact CG1-CB 4.14Å; V190-E192 PolarHBondContact O-N 3.21Å; E192-R194 VanDerWaalsContact C-N 3.3Å; E192-R194 PolarHBondContact O-N 3.14Å |
| 193 | G | 93.7 | Very high | 96.6 | Very high | 63 Ų | 63 | 57 Ų | 57 | 65% | 0.649 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -3.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P191 | P191-G193 PolarHBondContact O-N 2.9Š|
| 194 | R | 96.1 | Very high | 96.6 | Very high | 144 Ų | 144 | 61.1 Ų | 61.1 | 54% | 0.543 | 33% | 0.331 | S | S | . | . | trans | -66.5 | 149.2 | 173.2 | -68.5 | -69 | -170.4 | 151.8 | 2.2 | 112.1 | P191 E192 F198 F199 Q265 | P191-R194 HydrophobicContact CB-CG 4.09Å; P191-R194 WeakPolarHBondContact O-CB 3.24Å; P191-R194 WeakPolarHBondContact O-CG 2.95Å; P191-R194 PolarHBondContact O-N 3Å; E192-R194 VanDerWaalsContact C-N 3.3Å; E192-R194 PolarHBondContact O-N 3.14Å; R194-F198 HydrophobicContact CB-CB 3.96Å; R194-F198 HydrophobicContact CB-CD1 3.86Å; R194-F198 HydrophobicContact CB-CG 3.92Å; R194-F198 HydrophobicContact CG-CD1 4.17Å; R194-F198 HydrophobicContact CG-CG 4.23Å; R194-F199 HydrophobicContact CB-CE2 4.08Å; R194-Q265 PolarHBondContact O-NE2 2.89Å | ||
| 195 | P | 96.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 55% | 0.552 | 34% | 0.34 | S | S | * | . | trans | -65.4 | 157 | 179.1 | 28.1 | -35.7 | 0 | 0 | 0 | 111.9 | V197 F198 | P195-V197 PolarHBondContact O-N 3.2Å; P195-V197 VanDerWaalsContact O-N 3.12Å; P195-F198 HydrophobicContact CG-CB 4.45Å; P195-F198 VanDerWaalsContact O-CB 3.29Å; P195-F198 WeakPolarHBondContact O-CB 3.49Å; P195-F198 PolarHBondContact O-N 3.24Å | ||
| 196 | L | 97.4 | Very high | 96.5 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -52 | -38.1 | 178.5 | 178 | 60.4 | 0 | 0 | 0 | 112.6 | F198 F199 V200 G262 L263 Y266 | L196-F198 PolarHBondContact O-N 3.5Å; L196-F199 PolarHBondContact O-N 3.36Å; L196-V200 HydrophobicContact CD1-CG2 4.12Å; L196-V200 HydrophobicContact CG-CG2 4.07Å; L196-V200 WeakPolarHBondContact O-CG2 3.3Å; L196-V200 PolarHBondContact O-N 3.35Å; L196-G262 VanDerWaalsContact CD1-C 3.45Å; L196-L263 HydrophobicContact CD1-CD2 4.04Å; L196-L263 HydrophobicContact CD1-CG 4.28Å; L196-L263 HydrophobicContact CD2-CD2 4.28Å; L196-Y266 HydrophobicContact CB-CD2 4.12Å; L196-Y266 HydrophobicContact CB-CG 4.35Å; L196-Y266 HydrophobicContact CD2-CD1 4.31Å; L196-Y266 HydrophobicContact CD2-CD2 4.27Å; L196-Y266 HydrophobicContact CD2-CG 4.03Å |
| 197 | V | 97.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 62% | 0.618 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -54.2 | -38.7 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | P195 F199 V200 S201 | P195-V197 PolarHBondContact O-N 3.2Å; P195-V197 VanDerWaalsContact O-N 3.12Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 2.84Å; V197-V200 PolarHBondContact O-N 3.33Å; V197-S201 VanDerWaalsContact O-CB 3.27Å; V197-S201 WeakPolarHBondContact O-CB 3.45Å; V197-S201 PolarHBondContact O-N 3.5Å; V197-S201 PolarHBondContact O-OG 2.89Å |
| 198 | F | 97.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 177.2 | 173.8 | -91.8 | 0 | 0 | 0 | 112.1 | W59 P191 R194 P195 L196 S202 | W59-F198 HydrophobicContact CH2-CE1 4.24Å; W59-F198 HydrophobicContact CH2-CZ 4Å; W59-F198 HydrophobicContact CZ2-CZ 4.47Å; W59-F198 HydrophobicContact CZ3-CE1 4.27Å; W59-F198 HydrophobicContact CZ3-CZ 4.48Å; P191-F198 HydrophobicContact CB-CD1 4.06Å; P191-F198 HydrophobicContact CB-CE1 3.39Å; P191-F198 HydrophobicContact CB-CZ 4.09Å; P191-F198 HydrophobicContact CG-CE1 4.27Å; R194-F198 HydrophobicContact CB-CB 3.96Å; R194-F198 HydrophobicContact CB-CD1 3.86Å; R194-F198 HydrophobicContact CB-CG 3.92Å; R194-F198 HydrophobicContact CG-CD1 4.17Å; R194-F198 HydrophobicContact CG-CG 4.23Å; P195-F198 HydrophobicContact CG-CB 4.45Å; P195-F198 VanDerWaalsContact O-CB 3.29Å; P195-F198 WeakPolarHBondContact O-CB 3.49Å; P195-F198 PolarHBondContact O-N 3.24Å; L196-F198 PolarHBondContact O-N 3.5Å; F198-S202 VanDerWaalsContact O-CB 3.27Å; F198-S202 WeakPolarHBondContact O-CB 3.47Å; F198-S202 PolarHBondContact O-N 3.4Å; F198-S202 PolarHBondContact O-OG 2.76Å |
| 199 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -72.3 | -40 | -179.3 | -66.6 | -84.2 | 0 | 0 | 0 | 111.9 | F55 P191 R194 L196 V197 S202 S203 I258 L261 | F55-F199 HydrophobicContact CE1-CZ 4.35Å; P191-F199 HydrophobicContact CB-CE1 4.11Å; P191-F199 HydrophobicContact CB-CZ 4.01Å; P191-F199 HydrophobicContact CG-CE1 3.92Å; P191-F199 HydrophobicContact CG-CZ 4.18Å; P191-F199 WeakPolarHBondContact O-CZ 3.46Å; R194-F199 HydrophobicContact CB-CE2 4.08Å; L196-F199 PolarHBondContact O-N 3.36Å; V197-F199 VanDerWaalsContact C-N 3.35Å; V197-F199 PolarHBondContact O-N 2.84Å; F199-S202 PolarHBondContact O-N 3.5Å; F199-S203 WeakPolarHBondContact O-CB 3.48Å; F199-S203 PolarHBondContact O-N 3.41Å; F199-I258 HydrophobicContact CB-CG2 4.33Å; F199-I258 HydrophobicContact CD1-CG2 4.14Å; F199-I258 WeakPolarHBondContact O-CG2 3.21Å; F199-L261 HydrophobicContact CE1-CB 4.44Å; F199-L261 HydrophobicContact CE1-CD2 3.89Å; F199-L261 HydrophobicContact CE1-CG 4.08Å |
| 200 | V | 98.3 | Very high | 96.9 | Very high | 49 Ų | 49 | 50.7 Ų | 50.7 | 30% | 0.297 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -50.5 | 174.2 | 174.1 | 0 | 0 | 0 | 0 | 110.3 | L196 V197 S202 S203 I204 L259 | L196-V200 HydrophobicContact CD1-CG2 4.12Å; L196-V200 HydrophobicContact CG-CG2 4.07Å; L196-V200 WeakPolarHBondContact O-CG2 3.3Å; L196-V200 PolarHBondContact O-N 3.35Å; V197-V200 PolarHBondContact O-N 3.33Å; V200-S202 VanDerWaalsContact C-N 3.33Å; V200-S202 PolarHBondContact O-N 2.81Å; V200-S203 PolarHBondContact O-N 2.97Å; V200-I204 HydrophobicContact CG1-CD1 3.76Å; V200-I204 WeakPolarHBondContact O-CB 3.41Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 3.43Å; V200-L259 HydrophobicContact CG2-CD1 3.74Å |
| 201 | S | 98 | Very high | 96.8 | Very high | 71 Ų | 71 | 52.7 Ų | 52.7 | 50% | 0.497 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 177.1 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | V197 G205 | V197-S201 VanDerWaalsContact O-CB 3.27Å; V197-S201 WeakPolarHBondContact O-CB 3.45Å; V197-S201 PolarHBondContact O-N 3.5Å; V197-S201 PolarHBondContact O-OG 2.89Å; S201-G205 WeakPolarHBondContact O-CA 3.36Å; S201-G205 PolarHBondContact O-N 3.04Å |
| 202 | S | 97.8 | Very high | 96.9 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 175.9 | -61.2 | 0 | 0 | 0 | 0 | 111.3 | F198 F199 V200 I204 G205 L206 | F198-S202 VanDerWaalsContact O-CB 3.27Å; F198-S202 WeakPolarHBondContact O-CB 3.47Å; F198-S202 PolarHBondContact O-N 3.4Å; F198-S202 PolarHBondContact O-OG 2.76Å; F199-S202 PolarHBondContact O-N 3.5Å; V200-S202 VanDerWaalsContact C-N 3.33Å; V200-S202 PolarHBondContact O-N 2.81Å; S202-I204 PolarHBondContact O-N 2.9Å; S202-G205 PolarHBondContact O-N 3.38Å; S202-L206 WeakPolarHBondContact O-CG 3.49Å; S202-L206 PolarHBondContact O-N 2.88Å |
| 203 | S | 98.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 58.3 Ų | 58.3 | 6% | 0.056 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 112 | F199 V200 G205 L207 C255 | F199-S203 WeakPolarHBondContact O-CB 3.48Å; F199-S203 PolarHBondContact O-N 3.41Å; V200-S203 PolarHBondContact O-N 2.97Å; S203-G205 VanDerWaalsContact C-N 3.34Å; S203-L207 PolarHBondContact O-N 3.38Å; S203-C255 PolarHBondContact O-SG 3.05Å; S203-C255 VanDerWaalsContact O-SG 3.34Å; S203-C255 WeakPolarHBondContact OG-CB 3.43Å; S203-C255 PolarHBondContact OG-O 2.87Å; S203-C255 VanDerWaalsContact OG-O 3.07Å |
| 204 | I | 98 | Very high | 96.9 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 45% | 0.446 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.1 | -67.6 | 171.5 | 0 | 0 | 0 | 110.1 | V200 S202 L207 L208 | V200-I204 HydrophobicContact CG1-CD1 3.76Å; V200-I204 WeakPolarHBondContact O-CB 3.41Å; V200-I204 WeakPolarHBondContact O-CG1 3.48Å; V200-I204 PolarHBondContact O-N 3.43Å; S202-I204 PolarHBondContact O-N 2.9Å; I204-L207 PolarHBondContact O-N 2.96Å; I204-L208 HydrophobicContact CG2-CD1 3.54Å; I204-L208 HydrophobicContact CG2-CG 3.94Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.12Å |
| 205 | G | 97.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 54 Ų | 54 | 36% | 0.361 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S201 S202 S203 L207 S209 | S201-G205 WeakPolarHBondContact O-CA 3.36Å; S201-G205 PolarHBondContact O-N 3.04Å; S202-G205 PolarHBondContact O-N 3.38Å; S203-G205 VanDerWaalsContact C-N 3.34Å; G205-L207 PolarHBondContact O-N 3.32Å; G205-S209 WeakPolarHBondContact O-CB 3.04Å; G205-S209 PolarHBondContact O-N 2.83Å; G205-S209 PolarHBondContact O-OG 3.19Å |
| 206 | L | 97.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 8% | 0.084 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.3 | -67.6 | -179.7 | 0 | 0 | 0 | 111.9 | I63 W66 S202 S209 A210 I258 | I63-L206 HydrophobicContact CD1-CD1 4.05Å; I63-L206 HydrophobicContact CD1-CD2 3.94Å; I63-L206 HydrophobicContact CD1-CG 4.5Å; W66-L206 HydrophobicContact CB-CD2 4.23Å; W66-L206 HydrophobicContact CD2-CD2 3.67Å; W66-L206 HydrophobicContact CE3-CD2 4.23Å; W66-L206 HydrophobicContact CG-CB 4.42Å; W66-L206 HydrophobicContact CG-CD2 3.63Å; W66-L206 HydrophobicContact CG-CG 4.42Å; W66-L206 PolarHBondContact NE1-O 3.24Å; S202-L206 WeakPolarHBondContact O-CG 3.49Å; S202-L206 PolarHBondContact O-N 2.88Å; L206-S209 PolarHBondContact O-OG 2.98Å; L206-A210 VanDerWaalsContact O-CB 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.17Å; L206-A210 PolarHBondContact O-N 3.32Å; L206-A210 VanDerWaalsContact O-N 3.09Å; L206-I258 HydrophobicContact CD1-CD1 3.39Å |
| 207 | L | 96.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -54.9 | 177.7 | -179.4 | 62.3 | 0 | 0 | 0 | 111.6 | S203 I204 G205 A210 L211 L251 | S203-L207 PolarHBondContact O-N 3.38Å; I204-L207 PolarHBondContact O-N 2.96Å; G205-L207 PolarHBondContact O-N 3.32Å; L207-A210 PolarHBondContact O-N 2.81Å; L207-L211 HydrophobicContact CD1-CD1 4.05Å; L207-L211 HydrophobicContact CD1-CG 4.35Å; L207-L211 HydrophobicContact CG-CD1 4.03Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 3.48Å; L207-L211 PolarHBondContact O-N 3.08Å; L207-L251 HydrophobicContact CD1-CD2 3.81Å; L207-L251 HydrophobicContact CD1-CG 4.2Å |
| 208 | L | 97.3 | Very high | 96.3 | Very high | 95 Ų | 95 | 48.4 Ų | 48.4 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | -176.3 | -68.4 | -178.6 | 0 | 0 | 0 | 111.7 | I204 L211 L212 | I204-L208 HydrophobicContact CG2-CD1 3.54Å; I204-L208 HydrophobicContact CG2-CG 3.94Å; I204-L208 WeakPolarHBondContact O-CB 3.38Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 3.12Å; L208-L211 PolarHBondContact O-N 3.04Å; L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 VanDerWaalsContact O-CG 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.95Å |
| 209 | S | 97.1 | Very high | 96.1 | Very high | 37 Ų | 37 | 55.9 Ų | 55.9 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 177.9 | 56.4 | 0 | 0 | 0 | 0 | 112.3 | W66 G205 L206 L212 I213 | W66-S209 WeakPolarHBondContact CZ2-OG 3.46Å; G205-S209 WeakPolarHBondContact O-CB 3.04Å; G205-S209 PolarHBondContact O-N 2.83Å; G205-S209 PolarHBondContact O-OG 3.19Å; L206-S209 PolarHBondContact O-OG 2.98Å; S209-L212 PolarHBondContact O-N 3.47Å; S209-I213 WeakPolarHBondContact O-CB 3.42Å; S209-I213 VanDerWaalsContact O-CG1 3.24Å; S209-I213 WeakPolarHBondContact O-CG1 3.37Å; S209-I213 PolarHBondContact O-N 3.22Å |
| 210 | A | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | W73 L206 L207 I213 H214 L251 | W73-A210 HydrophobicContact CH2-CB 4.12Å; W73-A210 HydrophobicContact CZ3-CB 4.05Å; W73-A210 WeakPolarHBondContact CZ3-O 3.45Å; L206-A210 VanDerWaalsContact O-CB 3.26Å; L206-A210 WeakPolarHBondContact O-CB 3.17Å; L206-A210 PolarHBondContact O-N 3.32Å; L206-A210 VanDerWaalsContact O-N 3.09Å; L207-A210 PolarHBondContact O-N 2.81Å; A210-I213 PolarHBondContact O-N 2.92Å; A210-H214 VanDerWaalsContact O-CB 3.29Å; A210-H214 WeakPolarHBondContact O-CB 3.3Å; A210-H214 PolarHBondContact O-N 3.45Å; A210-L251 HydrophobicContact CB-CD1 3.76Å; A210-L251 HydrophobicContact CB-CD2 3.64Å; A210-L251 HydrophobicContact CB-CG 4.36Å |
| 211 | L | 94.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 62 Ų | 62 | 34% | 0.34 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 176.6 | -70.5 | 173.6 | 0 | 0 | 0 | 112.3 | L207 L208 S215 F248 | L207-L211 HydrophobicContact CD1-CD1 4.05Å; L207-L211 HydrophobicContact CD1-CG 4.35Å; L207-L211 HydrophobicContact CG-CD1 4.03Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 3.48Å; L207-L211 PolarHBondContact O-N 3.08Å; L208-L211 PolarHBondContact O-N 3.04Å; L211-S215 VanDerWaalsContact O-CB 3.27Å; L211-S215 WeakPolarHBondContact O-CB 3.33Å; L211-S215 PolarHBondContact O-N 3.13Å; L211-S215 PolarHBondContact O-OG 3.21Å; L211-F248 HydrophobicContact CD2-CE1 3.9Å |
| 212 | L | 96 | Very high | 95.3 | Very high | 126 Ų | 126 | 63 Ų | 63 | 66% | 0.66 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.6 | -45.8 | 175.2 | -73.6 | 170.9 | 0 | 0 | 0 | 111.4 | L208 S209 S215 G216 | L208-L212 WeakPolarHBondContact O-CB 3.42Å; L208-L212 VanDerWaalsContact O-CG 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.32Å; L208-L212 PolarHBondContact O-N 2.95Å; S209-L212 PolarHBondContact O-N 3.47Å; L212-S215 PolarHBondContact O-N 3.11Å; L212-G216 PolarHBondContact O-N 2.93Å |
| 213 | I | 94.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 25% | 0.251 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 176.6 | -68.9 | 164.8 | 0 | 0 | 0 | 110.3 | W66 V70 W73 S209 A210 S215 G216 L217 | W66-I213 HydrophobicContact CH2-CD1 4.43Å; W66-I213 HydrophobicContact CZ2-CD1 4.35Å; V70-I213 HydrophobicContact CG1-CD1 4.04Å; V70-I213 HydrophobicContact CG2-CD1 3.87Å; W73-I213 HydrophobicContact CE3-CG2 4.04Å; W73-I213 HydrophobicContact CZ3-CG2 4.5Å; S209-I213 WeakPolarHBondContact O-CB 3.42Å; S209-I213 VanDerWaalsContact O-CG1 3.24Å; S209-I213 WeakPolarHBondContact O-CG1 3.37Å; S209-I213 PolarHBondContact O-N 3.22Å; A210-I213 PolarHBondContact O-N 2.92Å; I213-S215 PolarHBondContact O-N 3.33Å; I213-G216 PolarHBondContact O-N 3.39Å; I213-L217 HydrophobicContact CG2-CD1 3.93Å; I213-L217 HydrophobicContact CG2-CG 4.44Å; I213-L217 WeakPolarHBondContact O-CB 3.29Å; I213-L217 WeakPolarHBondContact O-CG 3.34Å; I213-L217 PolarHBondContact O-N 2.76Å |
| 214 | H | 92.9 | Very high | 94.2 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.208 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -57.7 | -50.1 | 178.2 | -178.4 | -69.4 | 0 | 0 | 0 | 111.1 | W73 A210 G216 L217 T218 L224 F248 | W73-H214 HydrophobicContact CH2-CB 4.14Å; W73-H214 HydrophobicContact CZ2-CB 4.5Å; W73-H214 AromaticContact CZ2-CD2 3.86Å; W73-H214 HydrophobicContact CZ3-CB 4.24Å; A210-H214 VanDerWaalsContact O-CB 3.29Å; A210-H214 WeakPolarHBondContact O-CB 3.3Å; A210-H214 PolarHBondContact O-N 3.45Å; H214-G216 PolarHBondContact O-N 3.14Å; H214-L217 PolarHBondContact O-N 3.2Å; H214-T218 PolarHBondContact O-N 2.89Å; H214-T218 PolarHBondContact O-OG1 3.28Å; H214-L224 HydrophobicContact CB-CD1 4.28Å; H214-L224 WeakPolarHBondContact CD2-CD1 3.44Å; H214-F248 AromaticContact CD2-CZ 3.67Å; H214-F248 AromaticContact NE2-CE2 3.82Å; H214-F248 AromaticContact NE2-CZ 3.79Å |
| 215 | S | 93.4 | Very high | 93.6 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.9 | -39.9 | -179.2 | -54.2 | 0 | 0 | 0 | 0 | 111.9 | L211 L212 I213 T218 W219 | L211-S215 VanDerWaalsContact O-CB 3.27Å; L211-S215 WeakPolarHBondContact O-CB 3.33Å; L211-S215 PolarHBondContact O-N 3.13Å; L211-S215 PolarHBondContact O-OG 3.21Å; L212-S215 PolarHBondContact O-N 3.11Å; I213-S215 PolarHBondContact O-N 3.33Å; S215-T218 PolarHBondContact O-N 2.92Å; S215-W219 WeakPolarHBondContact O-CB 3.27Å; S215-W219 PolarHBondContact O-N 2.9Å |
| 216 | G | 95.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.3 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L212 I213 H214 W219 L220 | L212-G216 PolarHBondContact O-N 2.93Å; I213-G216 PolarHBondContact O-N 3.39Å; H214-G216 PolarHBondContact O-N 3.14Å; G216-W219 PolarHBondContact O-N 3.45Å; G216-L220 WeakPolarHBondContact O-CG 3.27Å; G216-L220 PolarHBondContact O-N 3.34Å |
| 217 | L | 93.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.068 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 175.9 | -72.1 | 172.7 | 0 | 0 | 0 | 111.9 | W73 M74 I213 H214 W219 L220 G221 F222 L224 | W73-L217 HydrophobicContact CB-CD1 3.71Å; M74-L217 HydrophobicContact SD-CD1 3.96Å; M74-L217 HydrophobicContact SD-CD2 3.92Å; M74-L217 HydrophobicContact SD-CG 4.4Å; I213-L217 HydrophobicContact CG2-CD1 3.93Å; I213-L217 HydrophobicContact CG2-CG 4.44Å; I213-L217 WeakPolarHBondContact O-CB 3.29Å; I213-L217 WeakPolarHBondContact O-CG 3.34Å; I213-L217 PolarHBondContact O-N 2.76Å; H214-L217 PolarHBondContact O-N 3.2Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 2.83Å; L217-L220 PolarHBondContact O-N 3.16Å; L217-G221 PolarHBondContact O-N 3.49Å; L217-F222 HydrophobicContact CB-CB 4.46Å; L217-F222 HydrophobicContact CB-CD2 4.41Å; L217-F222 HydrophobicContact CD2-CD2 3.89Å; L217-F222 HydrophobicContact CD2-CE2 4.2Å; L217-F222 WeakPolarHBondContact O-CB 3.34Å; L217-F222 WeakPolarHBondContact O-CD2 3.44Å; L217-F222 PolarHBondContact O-N 2.97Å; L217-L224 HydrophobicContact CB-CD1 4.21Å; L217-L224 HydrophobicContact CB-CD2 4.29Å; L217-L224 HydrophobicContact CD1-CD2 4.19Å |
| 218 | T | 92.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 65.1 Ų | 65.1 | 44% | 0.442 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 174.5 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | H214 S215 L220 G221 | H214-T218 PolarHBondContact O-N 2.89Å; H214-T218 PolarHBondContact O-OG1 3.28Å; S215-T218 PolarHBondContact O-N 2.92Å; T218-L220 VanDerWaalsContact C-N 3.3Å; T218-L220 PolarHBondContact O-N 3.19Å; T218-G221 PolarHBondContact O-N 3.5Å |
| 219 | W | 94.6 | Very high | 92.2 | Very high | 217 Ų | 217 | 63.5 Ų | 63.5 | 82% | 0.822 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64 | -34.7 | 176.6 | 179.2 | 78.7 | 0 | 0 | 0 | 112.7 | S215 G216 L217 G221 | S215-W219 WeakPolarHBondContact O-CB 3.27Å; S215-W219 PolarHBondContact O-N 2.9Å; G216-W219 PolarHBondContact O-N 3.45Å; L217-W219 VanDerWaalsContact C-N 3.33Å; L217-W219 PolarHBondContact O-N 2.83Å; W219-G221 PolarHBondContact O-N 3.43Å |
| 220 | L | 94.5 | Very high | 92 | Very high | 111 Ų | 111 | 63 Ų | 63 | 58% | 0.581 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 0 | 172.3 | -69.4 | 172.2 | 0 | 0 | 0 | 113.8 | G216 L217 T218 F222 | G216-L220 WeakPolarHBondContact O-CG 3.27Å; G216-L220 PolarHBondContact O-N 3.34Å; L217-L220 PolarHBondContact O-N 3.16Å; T218-L220 VanDerWaalsContact C-N 3.3Å; T218-L220 PolarHBondContact O-N 3.19Å; L220-F222 HydrophobicContact CB-CD2 3.83Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CD1-CE2 4.35Å |
| 221 | G | 91.9 | Very high | 91.8 | Very high | 67 Ų | 67 | 63 Ų | 63 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 8.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L217 T218 W219 D223 | L217-G221 PolarHBondContact O-N 3.49Å; T218-G221 PolarHBondContact O-N 3.5Å; W219-G221 PolarHBondContact O-N 3.43Å; G221-D223 PolarHBondContact O-N 2.96Å |
| 222 | F | 90.8 | Very high | 91.6 | Very high | 92 Ų | 92 | 66.7 Ų | 66.7 | 40% | 0.404 | 37% | 0.366 | S | S | . | . | trans | -77.1 | 122.3 | 174.2 | -65.2 | -80.2 | 0 | 0 | 0 | 110.9 | F76 L217 L220 L224 | F76-F222 HydrophobicContact CE1-CB 4.2Å; F76-F222 HydrophobicContact CE1-CD1 4.14Å; F76-F222 AromaticContact CE2-CD1 3.79Å; F76-F222 HydrophobicContact CE2-CD1 3.79Å; F76-F222 HydrophobicContact CE2-CE1 4.13Å; F76-F222 HydrophobicContact CE2-CG 4.31Å; F76-F222 HydrophobicContact CZ-CB 3.71Å; F76-F222 AromaticContact CZ-CD1 3.46Å; F76-F222 HydrophobicContact CZ-CD1 3.46Å; F76-F222 VanDerWaalsContact CZ-CD1 3.46Å; F76-F222 HydrophobicContact CZ-CE1 4.26Å; F76-F222 AromaticContact CZ-CG 3.72Å; F76-F222 HydrophobicContact CZ-CG 3.72Å; L217-F222 HydrophobicContact CB-CB 4.46Å; L217-F222 HydrophobicContact CB-CD2 4.41Å; L217-F222 HydrophobicContact CD2-CD2 3.89Å; L217-F222 HydrophobicContact CD2-CE2 4.2Å; L217-F222 WeakPolarHBondContact O-CB 3.34Å; L217-F222 WeakPolarHBondContact O-CD2 3.44Å; L217-F222 PolarHBondContact O-N 2.97Å; L220-F222 HydrophobicContact CB-CD2 3.83Å; L220-F222 HydrophobicContact CB-CE2 3.89Å; L220-F222 HydrophobicContact CD1-CE2 4.35Å; F222-L224 PolarHBondContact O-N 3.08Å | ||
| 223 | D | 87.8 | Confident | 91.5 | Very high | 89 Ų | 89 | 67 Ų | 67 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | trans | -73.8 | 108.9 | 168.1 | 177.6 | 14.7 | 0 | 0 | 0 | 109.1 | G221 S225 W226 | G221-D223 PolarHBondContact O-N 2.96Å; D223-S225 VanDerWaalsContact C-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CA 3.33Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 2.99Å; D223-S225 PolarHBondContact OD1-OG 2.88Å; D223-W226 PolarHBondContact OD1-N 3.32Å; D223-W226 WeakPolarHBondContact OD2-CA 3.41Å; D223-W226 PolarHBondContact OD2-N 2.71Å | ||
| 224 | L | 84.9 | Confident | 91.4 | Very high | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.5 | -8.6 | 176.3 | -62.9 | 178.4 | 0 | 0 | 0 | 112.8 | W73 F76 H214 L217 F222 | W73-L224 HydrophobicContact CB-CD2 4.23Å; W73-L224 HydrophobicContact CG-CD2 4.33Å; F76-L224 HydrophobicContact CE1-CD2 4.13Å; F76-L224 HydrophobicContact CZ-CD2 4.08Å; H214-L224 HydrophobicContact CB-CD1 4.28Å; H214-L224 WeakPolarHBondContact CD2-CD1 3.44Å; L217-L224 HydrophobicContact CB-CD1 4.21Å; L217-L224 HydrophobicContact CB-CD2 4.29Å; L217-L224 HydrophobicContact CD1-CD2 4.19Å; F222-L224 PolarHBondContact O-N 3.08Å |
| 225 | S | 85.6 | Confident | 91.4 | Very high | 61 Ų | 61 | 67 Ų | 67 | 43% | 0.427 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -94.8 | -6.2 | 180 | 74.8 | 0 | 0 | 0 | 0 | 113.9 | D223 S227 I228 A229 | D223-S225 VanDerWaalsContact C-N 3.3Å; D223-S225 WeakPolarHBondContact OD1-CA 3.33Å; D223-S225 WeakPolarHBondContact OD1-CB 3.37Å; D223-S225 PolarHBondContact OD1-N 2.99Å; D223-S225 PolarHBondContact OD1-OG 2.88Å; S225-S227 VanDerWaalsContact C-N 3.27Å; S225-S227 PolarHBondContact O-N 2.89Å; S225-S227 VanDerWaalsContact O-N 3.16Å; S225-I228 WeakPolarHBondContact O-CA 3.44Å; S225-I228 VanDerWaalsContact O-CB 3.31Å; S225-I228 WeakPolarHBondContact O-CB 3.47Å; S225-I228 PolarHBondContact O-N 2.88Å; S225-A229 PolarHBondContact O-N 3.37Å |
| 226 | W | 90.8 | Very high | 91.4 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 16% | 0.159 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -47.2 | -46.7 | 179.6 | 75.6 | -78 | 0 | 0 | 0 | 113.3 | F76 W82 P108 D223 I228 A229 L230 | F76-W226 HydrophobicContact CB-CZ2 4.25Å; F76-W226 AromaticContact CD1-NE1 3.46Å; W82-W226 HydrophobicContact CZ2-CH2 4.41Å; P108-W226 HydrophobicContact CB-CZ2 4.19Å; P108-W226 HydrophobicContact CG-CZ2 4.26Å; D223-W226 PolarHBondContact OD1-N 3.32Å; D223-W226 WeakPolarHBondContact OD2-CA 3.41Å; D223-W226 PolarHBondContact OD2-N 2.71Å; W226-I228 VanDerWaalsContact C-N 3.29Å; W226-I228 PolarHBondContact O-N 3.01Å; W226-A229 WeakPolarHBondContact O-CB 3.38Å; W226-A229 PolarHBondContact O-N 3.25Å; W226-A229 VanDerWaalsContact O-N 3.16Å; W226-L230 HydrophobicContact CE3-CD1 3.48Å; W226-L230 VanDerWaalsContact CE3-CD1 3.48Å; W226-L230 HydrophobicContact CE3-CG 4.4Å; W226-L230 HydrophobicContact CZ3-CD1 3.4Å; W226-L230 PolarHBondContact O-N 3.48Å; W226-L230 VanDerWaalsContact O-N 3.11Å |
| 227 | S | 90.4 | Very high | 91.1 | Very high | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.014 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.9 | -29.2 | -178.5 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | T106 P108 S225 A231 | T106-S227 CarbonylContact O-C 3.41Å; T106-S227 WeakPolarHBondContact O-CB 3.47Å; T106-S227 PolarHBondContact O-OG 3.42Å; T106-S227 VanDerWaalsContact O-OG 3.08Å; P108-S227 WeakPolarHBondContact CD-OG 3.24Å; S225-S227 VanDerWaalsContact C-N 3.27Å; S225-S227 PolarHBondContact O-N 2.89Å; S225-S227 VanDerWaalsContact O-N 3.16Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.46Å; S227-A231 PolarHBondContact O-N 3.37Å |
| 228 | I | 88.4 | Confident | 90.7 | Very high | 63 Ų | 63 | 73.3 Ų | 73.3 | 32% | 0.323 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 175.1 | -55.6 | 176 | 0 | 0 | 0 | 109.9 | S225 W226 A231 K232 | S225-I228 WeakPolarHBondContact O-CA 3.44Å; S225-I228 VanDerWaalsContact O-CB 3.31Å; S225-I228 WeakPolarHBondContact O-CB 3.47Å; S225-I228 PolarHBondContact O-N 2.88Å; W226-I228 VanDerWaalsContact C-N 3.29Å; W226-I228 PolarHBondContact O-N 3.01Å; I228-A231 PolarHBondContact O-N 3.4Å; I228-K232 HydrophobicContact CG2-CD 4.38Å; I228-K232 WeakPolarHBondContact O-CB 3.47Å; I228-K232 WeakPolarHBondContact O-CG 3.26Å; I228-K232 PolarHBondContact O-N 3.26Å |
| 229 | A | 90.8 | Very high | 90.4 | Very high | 61 Ų | 61 | 75.8 Ų | 75.8 | 50% | 0.504 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S225 W226 K232 K233 | S225-A229 PolarHBondContact O-N 3.37Å; W226-A229 WeakPolarHBondContact O-CB 3.38Å; W226-A229 PolarHBondContact O-N 3.25Å; W226-A229 VanDerWaalsContact O-N 3.16Å; A229-K232 PolarHBondContact O-N 3.47Å; A229-K233 WeakPolarHBondContact O-CB 3.29Å; A229-K233 PolarHBondContact O-N 2.93Å |
| 230 | L | 92.4 | Very high | 90 | Very high | 26 Ų | 26 | 68 Ų | 68 | 14% | 0.136 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.7 | -68.8 | -179.9 | 0 | 0 | 0 | 112.6 | W82 E86 W226 K232 K233 W234 | W82-L230 HydrophobicContact CB-CB 4.21Å; W82-L230 HydrophobicContact CD2-CB 3.98Å; W82-L230 HydrophobicContact CE3-CB 4.21Å; W82-L230 HydrophobicContact CG-CB 3.99Å; W82-L230 HydrophobicContact CG-CD1 4.29Å; E86-L230 HydrophobicContact CG-CD2 3.74Å; W226-L230 HydrophobicContact CE3-CD1 3.48Å; W226-L230 VanDerWaalsContact CE3-CD1 3.48Å; W226-L230 HydrophobicContact CE3-CG 4.4Å; W226-L230 HydrophobicContact CZ3-CD1 3.4Å; W226-L230 PolarHBondContact O-N 3.48Å; W226-L230 VanDerWaalsContact O-N 3.11Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 2.83Å; L230-K233 PolarHBondContact O-N 3.22Å; L230-W234 PolarHBondContact O-N 2.65Å |
| 231 | A | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F81 W82 T106 S227 I228 K233 C235 | F81-A231 HydrophobicContact CZ-CB 4.19Å; W82-A231 HydrophobicContact CE3-CB 4.3Å; W82-A231 HydrophobicContact CZ3-CB 4.03Å; T106-A231 HydrophobicContact CG2-CB 4.18Å; S227-A231 VanDerWaalsContact O-CB 3.3Å; S227-A231 WeakPolarHBondContact O-CB 3.46Å; S227-A231 PolarHBondContact O-N 3.37Å; I228-A231 PolarHBondContact O-N 3.4Å; A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 3.15Å; A231-C235 WeakPolarHBondContact O-CB 3.3Å; A231-C235 PolarHBondContact O-N 3.41Å |
| 232 | K | 91 | Very high | 88.6 | Confident | 143 Ų | 143 | 66.3 Ų | 66.3 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.1 | -34.9 | 175.9 | -75.4 | 177.3 | 178.2 | -178 | 0 | 113.4 | I228 A229 L230 I241 | I228-K232 HydrophobicContact CG2-CD 4.38Å; I228-K232 WeakPolarHBondContact O-CB 3.47Å; I228-K232 WeakPolarHBondContact O-CG 3.26Å; I228-K232 PolarHBondContact O-N 3.26Å; A229-K232 PolarHBondContact O-N 3.47Å; L230-K232 VanDerWaalsContact C-N 3.31Å; L230-K232 PolarHBondContact O-N 2.83Å; K232-I241 HydrophobicContact CB-CD1 4.34Å; K232-I241 HydrophobicContact CG-CD1 3.84Å |
| 233 | K | 93.6 | Very high | 87.7 | Confident | 132 Ų | 132 | 65 Ų | 65 | 57% | 0.574 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.7 | -40.9 | -178.4 | -178.4 | 179.4 | 172.7 | -170 | 0 | 112.9 | E86 A229 L230 A231 | E86-K233 WeakPolarHBondContact OE1-CE 3.33Å; E86-K233 IonicContact OE1-NZ 2.84Å; E86-K233 PolarHBondContact OE1-NZ 3.08Å; E86-K233 IonicContact OE2-NZ 2.64Å; A229-K233 WeakPolarHBondContact O-CB 3.29Å; A229-K233 PolarHBondContact O-N 2.93Å; L230-K233 PolarHBondContact O-N 3.22Å; A231-K233 VanDerWaalsContact C-N 3.34Å; A231-K233 PolarHBondContact O-N 3.15Å |
| 234 | W | 93.6 | Very high | 86.6 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 30% | 0.299 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -109.8 | -4.2 | -168.5 | -65.7 | 103.8 | 0 | 0 | 0 | 114.9 | F81 W82 E86 Q99 L230 | F81-W234 HydrophobicContact CD2-CB 4.24Å; F81-W234 HydrophobicContact CE2-CB 4.41Å; W82-W234 HydrophobicContact CB-CB 3.69Å; W82-W234 VanDerWaalsContact CB-CD1 3.49Å; W82-W234 HydrophobicContact CB-CG 3.72Å; E86-W234 PolarHBondContact OE1-NE1 3Å; Q99-W234 PolarHBondContact NE2-O 3.38Å; L230-W234 PolarHBondContact O-N 2.65Å |
| 235 | C | 93 | Very high | 85.8 | Confident | 17 Ų | 17 | 62.8 Ų | 62.8 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | trans | -69.9 | 132.1 | 170.4 | -175.3 | 0 | 0 | 0 | 0 | 110.4 | C104 A231 H237 I241 | C104-C235 HydrophobicContact CB-CB 3.7Å; C104-C235 WeakPolarHBondContact CB-SG 3.19Å; C104-C235 VanDerWaalsContact SG-CA 3.52Å; C104-C235 WeakPolarHBondContact SG-CB 3.33Å; C104-C235 CovalentContact SG-SG 2.01Å; C104-C235 PolarHBondContact SG-SG 3.5Å; A231-C235 WeakPolarHBondContact O-CB 3.3Å; A231-C235 PolarHBondContact O-N 3.41Å; C235-H237 VanDerWaalsContact C-N 3.26Å; C235-H237 PolarHBondContact O-N 2.73Å; C235-H237 PolarHBondContact SG-O 2.64Å; C235-I241 HydrophobicContact CB-CD1 4.26Å; C235-I241 HydrophobicContact CB-CG1 4.21Å | ||
| 236 | S | 91.9 | Very high | 85.5 | Confident | 66 Ų | 66 | 60.3 Ų | 60.3 | 46% | 0.462 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -66.6 | -25.9 | 179.8 | 48.4 | 0 | 0 | 0 | 0 | 114.1 | Q99 W240 | Q99-S236 VanDerWaalsContact OE1-N 3.13Å; Q99-S236 PolarHBondContact OE1-OG 3.36Å; S236-W240 WeakPolarHBondContact OG-CZ3 3.25Å |
| 237 | H | 91 | Very high | 85.1 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 38% | 0.375 | 31% | 0.306 | S | S | . | . | trans | -139.4 | 117.9 | -172.9 | -78.8 | -84.8 | 0 | 0 | 0 | 109.9 | C235 E239 W240 | C235-H237 VanDerWaalsContact C-N 3.26Å; C235-H237 PolarHBondContact O-N 2.73Å; C235-H237 PolarHBondContact SG-O 2.64Å; H237-E239 HydrophobicContact CB-CG 4.27Å; H237-E239 IonicContact CE1-OE1 2.65Å; H237-E239 IonicContact CG-OE1 3.76Å; H237-E239 IonicContact ND1-OE1 2.73Å; H237-E239 PolarHBondContact ND1-OE1 2.84Å; H237-E239 IonicContact ND1-OE2 2.69Å; H237-E239 PolarHBondContact O-N 3.22Å; H237-W240 HydrophobicContact CB-CB 4.49Å; H237-W240 HydrophobicContact CB-CD2 3.48Å; H237-W240 VanDerWaalsContact CB-CD2 3.48Å; H237-W240 HydrophobicContact CB-CE3 3.91Å; H237-W240 HydrophobicContact CB-CG 3.75Å; H237-W240 HydrophobicContact CB-CH2 4.47Å; H237-W240 HydrophobicContact CB-CZ2 4.07Å; H237-W240 HydrophobicContact CB-CZ3 4.4Å; H237-W240 AromaticContact CD2-CE2 3.74Å; H237-W240 AromaticContact CD2-CH2 3.32Å; H237-W240 WeakPolarHBondContact CD2-CH2 3.43Å; H237-W240 AromaticContact CD2-CZ2 3.28Å; H237-W240 WeakPolarHBondContact CD2-CZ2 3.34Å; H237-W240 AromaticContact CD2-CZ3 3.79Å; H237-W240 AromaticContact CG-CE2 3.75Å; H237-W240 AromaticContact CG-CZ2 3.76Å; H237-W240 AromaticContact NE2-CZ2 3.97Å; H237-W240 WeakPolarHBondContact O-CB 3.49Å; H237-W240 PolarHBondContact O-N 2.96Å | ||
| 238 | S | 84.7 | Confident | 84.9 | Confident | 98 Ų | 98 | 62.2 Ų | 62.2 | 69% | 0.685 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -63.5 | -27.4 | -174.8 | 64.9 | 0 | 0 | 0 | 0 | 112.7 | W240 I241 | S238-W240 PolarHBondContact O-N 2.74Å; S238-I241 WeakPolarHBondContact O-CB 3.45Å; S238-I241 PolarHBondContact O-N 3.39Å |
| 239 | E | 85.4 | Confident | 85 | Confident | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -66.5 | -17.3 | 175 | 64.5 | -88.3 | -158.2 | 0 | 0 | 114.2 | H237 I241 | H237-E239 HydrophobicContact CB-CG 4.27Å; H237-E239 IonicContact CE1-OE1 2.65Å; H237-E239 IonicContact CG-OE1 3.76Å; H237-E239 IonicContact ND1-OE1 2.73Å; H237-E239 PolarHBondContact ND1-OE1 2.84Å; H237-E239 IonicContact ND1-OE2 2.69Å; H237-E239 PolarHBondContact O-N 3.22Å; E239-I241 VanDerWaalsContact C-N 3.3Å |
| 240 | W | 87.6 | Confident | 85 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -82.2 | -10.6 | 177 | -61.3 | -8.5 | 0 | 0 | 0 | 112.9 | Q99 F100 A101 C104 S236 H237 S238 R242 | Q99-W240 HydrophobicContact CB-CZ3 3.91Å; F100-W240 VanDerWaalsContact C-CZ3 3.46Å; F100-W240 WeakPolarHBondContact O-CZ3 3.4Å; A101-W240 HydrophobicContact CB-CD2 4.24Å; A101-W240 HydrophobicContact CB-CG 4.18Å; C104-W240 HydrophobicContact CB-CB 4.03Å; S236-W240 WeakPolarHBondContact OG-CZ3 3.25Å; H237-W240 HydrophobicContact CB-CB 4.49Å; H237-W240 HydrophobicContact CB-CD2 3.48Å; H237-W240 VanDerWaalsContact CB-CD2 3.48Å; H237-W240 HydrophobicContact CB-CE3 3.91Å; H237-W240 HydrophobicContact CB-CG 3.75Å; H237-W240 HydrophobicContact CB-CH2 4.47Å; H237-W240 HydrophobicContact CB-CZ2 4.07Å; H237-W240 HydrophobicContact CB-CZ3 4.4Å; H237-W240 AromaticContact CD2-CE2 3.74Å; H237-W240 AromaticContact CD2-CH2 3.32Å; H237-W240 WeakPolarHBondContact CD2-CH2 3.43Å; H237-W240 AromaticContact CD2-CZ2 3.28Å; H237-W240 WeakPolarHBondContact CD2-CZ2 3.34Å; H237-W240 AromaticContact CD2-CZ3 3.79Å; H237-W240 AromaticContact CG-CE2 3.75Å; H237-W240 AromaticContact CG-CZ2 3.76Å; H237-W240 AromaticContact NE2-CZ2 3.97Å; H237-W240 WeakPolarHBondContact O-CB 3.49Å; H237-W240 PolarHBondContact O-N 2.96Å; S238-W240 PolarHBondContact O-N 2.74Å; W240-R242 PolarHBondContact O-N 3.01Å |
| 241 | I | 83.6 | Confident | 85.1 | Confident | 45 Ų | 45 | 55.9 Ų | 55.9 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | trans | -79.8 | 102.8 | 176.2 | -57.8 | 177.9 | 0 | 0 | 0 | 108.4 | C104 T106 K232 C235 S238 E239 | C104-I241 HydrophobicContact CB-CG1 4.31Å; T106-I241 HydrophobicContact CG2-CG2 3.49Å; T106-I241 VanDerWaalsContact CG2-CG2 3.49Å; K232-I241 HydrophobicContact CB-CD1 4.34Å; K232-I241 HydrophobicContact CG-CD1 3.84Å; C235-I241 HydrophobicContact CB-CD1 4.26Å; C235-I241 HydrophobicContact CB-CG1 4.21Å; S238-I241 WeakPolarHBondContact O-CB 3.45Å; S238-I241 PolarHBondContact O-N 3.39Å; E239-I241 VanDerWaalsContact C-N 3.3Å | ||
| 242 | R | 73.4 | Confident | 85.3 | Confident | 98 Ų | 98 | 56.8 Ų | 56.8 | 37% | 0.37 | 28% | 0.283 | S | S | . | . | trans | -106.1 | 130.9 | -176 | -53.4 | -179.9 | -67.6 | -171.8 | 1.1 | 112.7 | W240 D244 T245 | W240-R242 PolarHBondContact O-N 3.01Å; R242-D244 VanDerWaalsContact C-N 3.26Å; R242-D244 WeakPolarHBondContact CB-OD1 2.94Å; R242-D244 IonicContact NE-OD1 3.47Å; R242-D244 PolarHBondContact O-N 3.49Å; R242-T245 HydrophobicContact CB-CG2 4.44Å; R242-T245 PolarHBondContact O-N 2.97Å; R242-T245 PolarHBondContact O-OG1 3.07Å | ||
| 243 | L | 71.5 | Confident | 85.5 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 34% | 0.335 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -66.7 | -24.1 | 176.6 | -75 | 162.6 | 0 | 0 | 0 | 113.4 | T245 A246 S249 I300 F306 | L243-T245 PolarHBondContact O-N 3.4Å; L243-A246 WeakPolarHBondContact O-CB 3.45Å; L243-A246 PolarHBondContact O-N 3.48Å; L243-S249 PolarHBondContact O-OG 3.03Å; L243-I300 HydrophobicContact CD1-CB 4.4Å; L243-I300 HydrophobicContact CD1-CG1 4.41Å; L243-I300 HydrophobicContact CD1-CG2 3.37Å; L243-F306 HydrophobicContact CB-CE1 4.49Å; L243-F306 HydrophobicContact CB-CZ 4.4Å |
| 244 | D | 64.8 | Low | 85.7 | Confident | 33 Ų | 33 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -68.6 | -17.7 | 177.3 | 72.9 | -31.8 | 0 | 0 | 0 | 113 | K36 R242 A246 S249 | K36-D244 IonicContact NZ-OD2 3.95Å; K36-D244 PolarHBondContact NZ-OD2 3.33Å; R242-D244 VanDerWaalsContact C-N 3.26Å; R242-D244 WeakPolarHBondContact CB-OD1 2.94Å; R242-D244 IonicContact NE-OD1 3.47Å; R242-D244 PolarHBondContact O-N 3.49Å; D244-A246 VanDerWaalsContact C-N 3.34Å; D244-S249 WeakPolarHBondContact O-CB 2.95Å |
| 245 | T | 68.6 | Low | 85.9 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -89.1 | -0.7 | 172.3 | 68.4 | 0 | 0 | 0 | 0 | 113.3 | R242 L243 | R242-T245 HydrophobicContact CB-CG2 4.44Å; R242-T245 PolarHBondContact O-N 2.97Å; R242-T245 PolarHBondContact O-OG1 3.07Å; L243-T245 PolarHBondContact O-N 3.4Å |
| 246 | A | 78.8 | Confident | 86.1 | Confident | 10 Ų | 10 | 39.5 Ų | 39.5 | 8% | 0.083 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -68.3 | 149.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L243 D244 F248 S249 S250 | L243-A246 WeakPolarHBondContact O-CB 3.45Å; L243-A246 PolarHBondContact O-N 3.48Å; D244-A246 VanDerWaalsContact C-N 3.34Å; A246-F248 VanDerWaalsContact C-N 3.34Å; A246-F248 PolarHBondContact O-N 2.87Å; A246-S249 WeakPolarHBondContact O-CB 3.26Å; A246-S249 PolarHBondContact O-N 3Å; A246-S249 VanDerWaalsContact O-N 3.09Å; A246-S250 PolarHBondContact O-N 2.98Å; A246-S250 PolarHBondContact O-OG 3.34Å |
| 247 | P | 82.2 | Confident | 86.4 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 16% | 0.162 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -46.3 | -50.2 | 175.3 | -34.1 | 39.3 | 0 | 0 | 0 | 114.3 | L69 W73 S249 S250 L251 | L69-P247 HydrophobicContact CD1-CB 3.43Å; L69-P247 VanDerWaalsContact CD1-CB 3.43Å; L69-P247 HydrophobicContact CD1-CG 4.43Å; W73-P247 HydrophobicContact CZ2-CB 4.17Å; P247-S249 PolarHBondContact O-N 2.63Å; P247-S250 PolarHBondContact O-N 3.16Å; P247-L251 PolarHBondContact O-N 2.87Å |
| 248 | F | 87.1 | Confident | 86.7 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 25% | 0.254 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -70 | -28.2 | -179.1 | -75.2 | -76.4 | 0 | 0 | 0 | 114.1 | L211 H214 A246 S250 L251 T252 Y307 | L211-F248 HydrophobicContact CD2-CE1 3.9Å; H214-F248 AromaticContact CD2-CZ 3.67Å; H214-F248 AromaticContact NE2-CE2 3.82Å; H214-F248 AromaticContact NE2-CZ 3.79Å; A246-F248 VanDerWaalsContact C-N 3.34Å; A246-F248 PolarHBondContact O-N 2.87Å; F248-S250 VanDerWaalsContact C-N 3.33Å; F248-L251 HydrophobicContact CD1-CD2 4.31Å; F248-L251 PolarHBondContact O-N 2.8Å; F248-T252 WeakPolarHBondContact O-CG2 3.43Å; F248-T252 PolarHBondContact O-N 2.86Å; F248-T252 PolarHBondContact O-OG1 3.01Å; F248-Y307 HydrophobicContact CB-CD1 4.08Å; F248-Y307 HydrophobicContact CB-CE1 3.53Å; F248-Y307 HydrophobicContact CB-CE2 4.24Å |
| 249 | S | 89.4 | Confident | 87.4 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 173.1 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | L243 D244 A246 P247 T252 R253 Y307 F310 | L243-S249 PolarHBondContact O-OG 3.03Å; D244-S249 WeakPolarHBondContact O-CB 2.95Å; A246-S249 WeakPolarHBondContact O-CB 3.26Å; A246-S249 PolarHBondContact O-N 3Å; A246-S249 VanDerWaalsContact O-N 3.09Å; P247-S249 PolarHBondContact O-N 2.63Å; S249-T252 WeakPolarHBondContact CA-OG1 3.32Å; S249-T252 PolarHBondContact O-OG1 2.73Å; S249-R253 WeakPolarHBondContact O-CB 3.28Å; S249-R253 PolarHBondContact O-N 3.33Å; S249-Y307 WeakPolarHBondContact OG-CE1 3.49Å; S249-F310 WeakPolarHBondContact O-CD1 3.5Å; S249-F310 WeakPolarHBondContact O-CE1 3.38Å |
| 250 | S | 91.4 | Very high | 88 | Confident | 18 Ų | 18 | 23.7 Ų | 23.7 | 13% | 0.126 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 176.8 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | A246 P247 F248 T252 R253 D254 | A246-S250 PolarHBondContact O-N 2.98Å; A246-S250 PolarHBondContact O-OG 3.34Å; P247-S250 PolarHBondContact O-N 3.16Å; F248-S250 VanDerWaalsContact C-N 3.33Å; S250-T252 PolarHBondContact O-N 2.84Å; S250-R253 WeakPolarHBondContact O-CB 3.37Å; S250-R253 PolarHBondContact O-N 3.29Å; S250-D254 VanDerWaalsContact O-CG 3.24Å; S250-D254 PolarHBondContact O-N 2.99Å |
| 251 | L | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -56.2 | -47.3 | 176.4 | -178.4 | 61.2 | 0 | 0 | 0 | 113.1 | L69 L207 A210 P247 F248 D254 C255 | L69-L251 HydrophobicContact CD2-CB 3.91Å; L69-L251 HydrophobicContact CD2-CD1 4.37Å; L207-L251 HydrophobicContact CD1-CD2 3.81Å; L207-L251 HydrophobicContact CD1-CG 4.2Å; A210-L251 HydrophobicContact CB-CD1 3.76Å; A210-L251 HydrophobicContact CB-CD2 3.64Å; A210-L251 HydrophobicContact CB-CG 4.36Å; P247-L251 PolarHBondContact O-N 2.87Å; F248-L251 HydrophobicContact CD1-CD2 4.31Å; F248-L251 PolarHBondContact O-N 2.8Å; L251-D254 PolarHBondContact O-N 3.11Å; L251-C255 WeakPolarHBondContact O-CB 3.41Å; L251-C255 PolarHBondContact O-N 3.3Å; L251-C255 PolarHBondContact O-SG 2.75Å |
| 252 | T | 95 | Very high | 89.2 | Confident | 18 Ų | 18 | 19 Ų | 19 | 11% | 0.11 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -69.1 | -34.2 | -178.9 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | F248 S249 S250 G256 F311 | F248-T252 WeakPolarHBondContact O-CG2 3.43Å; F248-T252 PolarHBondContact O-N 2.86Å; F248-T252 PolarHBondContact O-OG1 3.01Å; S249-T252 WeakPolarHBondContact CA-OG1 3.32Å; S249-T252 PolarHBondContact O-OG1 2.73Å; S250-T252 PolarHBondContact O-N 2.84Å; T252-G256 PolarHBondContact O-N 3.07Å; T252-F311 WeakPolarHBondContact O-CD2 3.28Å |
| 253 | R | 95.3 | Very high | 90.3 | Very high | 6 Ų | 6 | 16.7 Ų | 16.7 | 2% | 0.023 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.1 | -51.3 | 169.4 | 161.2 | 170.5 | 72.2 | -129.6 | 7.4 | 111.4 | F39 E65 S249 S250 G256 A257 F310 F314 | F39-R253 HydrophobicContact CD2-CG 4.17Å; F39-R253 HydrophobicContact CE2-CG 3.91Å; F39-R253 HydrophobicContact CZ-CG 4.28Å; E65-R253 IonicContact OE1-CZ 3.23Å; E65-R253 IonicContact OE1-NH2 2.87Å; E65-R253 PolarHBondContact OE1-NH2 2.95Å; E65-R253 IonicContact OE2-CZ 3.95Å; E65-R253 IonicContact OE2-NE 3.91Å; E65-R253 PolarHBondContact OE2-NE 3.39Å; E65-R253 IonicContact OE2-NH2 2.86Å; E65-R253 PolarHBondContact OE2-NH2 3.44Å; S249-R253 WeakPolarHBondContact O-CB 3.28Å; S249-R253 PolarHBondContact O-N 3.33Å; S250-R253 WeakPolarHBondContact O-CB 3.37Å; S250-R253 PolarHBondContact O-N 3.29Å; R253-G256 PolarHBondContact O-N 3.47Å; R253-A257 WeakPolarHBondContact O-CB 3.31Å; R253-A257 PolarHBondContact O-N 3.06Å; R253-F310 HydrophobicContact CB-CD1 4.3Å; R253-F310 HydrophobicContact CB-CE1 3.8Å; R253-F314 HydrophobicContact CB-CB 4.49Å; R253-F314 HydrophobicContact CB-CD1 4.34Å; R253-F314 HydrophobicContact CB-CD2 3.79Å; R253-F314 HydrophobicContact CB-CE2 4.09Å; R253-F314 HydrophobicContact CB-CG 3.93Å; R253-F314 HydrophobicContact CB-CZ 4.47Å; R253-F314 VanDerWaalsContact CD-CE1 3.43Å; R253-F314 HydrophobicContact CG-CB 4.39Å; R253-F314 HydrophobicContact CG-CD1 3.59Å; R253-F314 HydrophobicContact CG-CD2 3.95Å; R253-F314 HydrophobicContact CG-CE1 3.75Å; R253-F314 HydrophobicContact CG-CE2 4.12Å; R253-F314 HydrophobicContact CG-CG 3.69Å; R253-F314 HydrophobicContact CG-CZ 4.02Å |
| 254 | D | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | -175.1 | -66.4 | -26.4 | 0 | 0 | 0 | 111.6 | A62 E65 W66 S250 L251 G256 A257 I258 | A62-D254 WeakPolarHBondContact CA-OD1 3.4Å; A62-D254 HydrophobicContact CB-CB 3.94Å; E65-D254 WeakPolarHBondContact CB-OD2 3.49Å; E65-D254 WeakPolarHBondContact CG-OD2 3.21Å; W66-D254 PolarHBondContact N-OD2 3.22Å; S250-D254 VanDerWaalsContact O-CG 3.24Å; S250-D254 PolarHBondContact O-N 2.99Å; L251-D254 PolarHBondContact O-N 3.11Å; D254-G256 PolarHBondContact O-N 3.29Å; D254-A257 PolarHBondContact O-N 3.44Å; D254-I258 WeakPolarHBondContact O-CG1 3.13Å; D254-I258 PolarHBondContact O-N 3.35Å |
| 255 | C | 97.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 12.6 Ų | 12.6 | 1% | 0.014 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.8 | -47 | 175.3 | -67.6 | 0 | 0 | 0 | 0 | 111.3 | S203 L251 A257 I258 L259 F311 | S203-C255 PolarHBondContact O-SG 3.05Å; S203-C255 VanDerWaalsContact O-SG 3.34Å; S203-C255 WeakPolarHBondContact OG-CB 3.43Å; S203-C255 PolarHBondContact OG-O 2.87Å; S203-C255 VanDerWaalsContact OG-O 3.07Å; L251-C255 WeakPolarHBondContact O-CB 3.41Å; L251-C255 PolarHBondContact O-N 3.3Å; L251-C255 PolarHBondContact O-SG 2.75Å; C255-A257 PolarHBondContact O-N 2.92Å; C255-I258 PolarHBondContact O-N 3.35Å; C255-L259 WeakPolarHBondContact O-CB 3.43Å; C255-L259 PolarHBondContact O-N 3.45Å; C255-F311 HydrophobicContact CB-CD2 4.08Å; C255-F311 HydrophobicContact CB-CE2 3.79Å |
| 256 | G | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T252 R253 D254 I258 L259 G260 F311 T315 | T252-G256 PolarHBondContact O-N 3.07Å; R253-G256 PolarHBondContact O-N 3.47Å; D254-G256 PolarHBondContact O-N 3.29Å; G256-I258 PolarHBondContact O-N 2.95Å; G256-L259 PolarHBondContact O-N 3.42Å; G256-G260 PolarHBondContact O-N 3.04Å; G256-F311 VanDerWaalsContact CA-CE2 3.47Å; G256-F311 VanDerWaalsContact N-CE2 3.33Å; G256-T315 WeakPolarHBondContact CA-OG1 3.26Å; G256-T315 VanDerWaalsContact O-CA 3.25Å; G256-T315 WeakPolarHBondContact O-CA 3.26Å; G256-T315 PolarHBondContact O-OG1 2.99Å |
| 257 | A | 97.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F39 V58 R253 D254 C255 G260 L261 | F39-A257 HydrophobicContact CD1-CB 3.61Å; F39-A257 HydrophobicContact CE1-CB 3.4Å; F39-A257 VanDerWaalsContact CE1-CB 3.4Å; F39-A257 HydrophobicContact CZ-CB 4.35Å; V58-A257 HydrophobicContact CG1-CB 4.09Å; R253-A257 WeakPolarHBondContact O-CB 3.31Å; R253-A257 PolarHBondContact O-N 3.06Å; D254-A257 PolarHBondContact O-N 3.44Å; C255-A257 PolarHBondContact O-N 2.92Å; A257-G260 PolarHBondContact O-N 3.17Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 PolarHBondContact O-N 3.18Å |
| 258 | I | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.1 | -46.3 | 175.8 | -72.9 | 174.5 | 0 | 0 | 0 | 111.2 | W59 A62 I63 F199 L206 D254 C255 G256 G260 L261 G262 | W59-I258 HydrophobicContact CE3-CD1 4.32Å; W59-I258 HydrophobicContact CZ3-CD1 4.16Å; A62-I258 HydrophobicContact CB-CD1 3.65Å; A62-I258 HydrophobicContact CB-CG1 3.77Å; I63-I258 HydrophobicContact CD1-CD1 4.44Å; F199-I258 HydrophobicContact CB-CG2 4.33Å; F199-I258 HydrophobicContact CD1-CG2 4.14Å; F199-I258 WeakPolarHBondContact O-CG2 3.21Å; L206-I258 HydrophobicContact CD1-CD1 3.39Å; D254-I258 WeakPolarHBondContact O-CG1 3.13Å; D254-I258 PolarHBondContact O-N 3.35Å; C255-I258 PolarHBondContact O-N 3.35Å; G256-I258 PolarHBondContact O-N 2.95Å; I258-G260 VanDerWaalsContact C-N 3.34Å; I258-G260 PolarHBondContact O-N 3.05Å; I258-L261 PolarHBondContact O-N 2.84Å; I258-G262 PolarHBondContact O-N 3.19Å |
| 259 | L | 98.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 18% | 0.178 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61 | -46.1 | 176.4 | 178.1 | 62.7 | 0 | 0 | 0 | 110.8 | V200 C255 G256 L261 G262 L263 F311 T315 | V200-L259 HydrophobicContact CG2-CD1 3.74Å; C255-L259 WeakPolarHBondContact O-CB 3.43Å; C255-L259 PolarHBondContact O-N 3.45Å; G256-L259 PolarHBondContact O-N 3.42Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 2.61Å; L259-G262 PolarHBondContact O-N 3.27Å; L259-L263 HydrophobicContact CD1-CD1 4.33Å; L259-L263 HydrophobicContact CD1-CG 4.26Å; L259-L263 HydrophobicContact CG-CD1 3.99Å; L259-L263 HydrophobicContact CG-CG 4.37Å; L259-L263 WeakPolarHBondContact O-CG 3.42Å; L259-L263 PolarHBondContact O-N 3.29Å; L259-F311 HydrophobicContact CB-CZ 4.42Å; L259-F311 HydrophobicContact CD2-CE1 4Å; L259-F311 HydrophobicContact CD2-CZ 3.55Å; L259-T315 HydrophobicContact CD2-CG2 4.4Å; L259-T315 HydrophobicContact CG-CG2 4.43Å |
| 260 | G | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.1 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G256 A257 I258 G262 L263 A264 T315 P318 Q319 | G256-G260 PolarHBondContact O-N 3.04Å; A257-G260 PolarHBondContact O-N 3.17Å; I258-G260 VanDerWaalsContact C-N 3.34Å; I258-G260 PolarHBondContact O-N 3.05Å; G260-G262 VanDerWaalsContact C-N 3.34Å; G260-G262 PolarHBondContact O-N 2.89Å; G260-L263 PolarHBondContact O-N 3.09Å; G260-A264 WeakPolarHBondContact O-CB 3.37Å; G260-A264 PolarHBondContact O-N 2.91Å; G260-T315 WeakPolarHBondContact CA-O 3.15Å; G260-P318 VanDerWaalsContact C-CB 3.42Å; G260-P318 WeakPolarHBondContact O-CB 3.37Å; G260-Q319 PolarHBondContact O-NE2 3.35Å |
| 261 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 178.3 | -173.6 | 65.1 | 0 | 0 | 0 | 111.2 | F55 V58 F199 A257 I258 L259 A264 Q265 P318 M322 | F55-L261 HydrophobicContact CD1-CD1 3.71Å; F55-L261 HydrophobicContact CD1-CD2 3.74Å; F55-L261 HydrophobicContact CD1-CG 3.78Å; F55-L261 HydrophobicContact CD2-CD1 4.4Å; F55-L261 HydrophobicContact CE1-CD1 3.64Å; F55-L261 HydrophobicContact CE1-CD2 4.18Å; F55-L261 HydrophobicContact CE1-CG 3.71Å; F55-L261 HydrophobicContact CE2-CD1 4.37Å; F55-L261 HydrophobicContact CG-CD1 4.1Å; F55-L261 HydrophobicContact CG-CD2 4.45Å; F55-L261 HydrophobicContact CZ-CD1 4Å; F55-L261 HydrophobicContact CZ-CG 4.5Å; V58-L261 HydrophobicContact CB-CD2 4.05Å; V58-L261 HydrophobicContact CG1-CB 4.39Å; V58-L261 HydrophobicContact CG1-CD2 3.96Å; F199-L261 HydrophobicContact CE1-CB 4.44Å; F199-L261 HydrophobicContact CE1-CD2 3.89Å; F199-L261 HydrophobicContact CE1-CG 4.08Å; A257-L261 WeakPolarHBondContact O-CB 3.42Å; A257-L261 PolarHBondContact O-N 3.18Å; I258-L261 PolarHBondContact O-N 2.84Å; L259-L261 VanDerWaalsContact C-N 3.31Å; L259-L261 PolarHBondContact O-N 2.61Å; L261-A264 PolarHBondContact O-N 2.78Å; L261-Q265 WeakPolarHBondContact O-CB 3.49Å; L261-Q265 PolarHBondContact O-N 3.17Å; L261-P318 HydrophobicContact CB-CG 4.4Å; L261-M322 HydrophobicContact CD1-CE 4.4Å; L261-M322 HydrophobicContact CD1-SD 3.69Å |
| 262 | G | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L196 I258 L259 G260 Q265 Y266 | L196-G262 VanDerWaalsContact CD1-C 3.45Å; I258-G262 PolarHBondContact O-N 3.19Å; L259-G262 PolarHBondContact O-N 3.27Å; G260-G262 VanDerWaalsContact C-N 3.34Å; G260-G262 PolarHBondContact O-N 2.89Å; G262-Q265 PolarHBondContact O-N 3.5Å; G262-Y266 WeakPolarHBondContact O-CB 3.29Å; G262-Y266 PolarHBondContact O-N 3.18Å |
| 263 | L | 98 | Very high | 94.7 | Very high | 48 Ų | 48 | 40.8 Ų | 40.8 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.1 | -49.1 | 176.2 | -74.7 | 172.4 | 0 | 0 | 0 | 110.5 | L196 L259 G260 Q265 Y266 W267 T315 Q319 | L196-L263 HydrophobicContact CD1-CD2 4.04Å; L196-L263 HydrophobicContact CD1-CG 4.28Å; L196-L263 HydrophobicContact CD2-CD2 4.28Å; L259-L263 HydrophobicContact CD1-CD1 4.33Å; L259-L263 HydrophobicContact CD1-CG 4.26Å; L259-L263 HydrophobicContact CG-CD1 3.99Å; L259-L263 HydrophobicContact CG-CG 4.37Å; L259-L263 WeakPolarHBondContact O-CG 3.42Å; L259-L263 PolarHBondContact O-N 3.29Å; G260-L263 PolarHBondContact O-N 3.09Å; L263-Q265 VanDerWaalsContact C-N 3.32Å; L263-Q265 PolarHBondContact O-N 3.49Å; L263-Y266 WeakPolarHBondContact O-CB 3.26Å; L263-Y266 PolarHBondContact O-N 3.38Å; L263-Y266 VanDerWaalsContact O-N 3.08Å; L263-W267 PolarHBondContact O-N 3.17Å; L263-T315 HydrophobicContact CD1-CG2 4.05Å; L263-Q319 VanDerWaalsContact CB-NE2 3.34Å |
| 264 | A | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | G260 L261 Y266 W267 K268 P318 Q319 M322 I323 | G260-A264 WeakPolarHBondContact O-CB 3.37Å; G260-A264 PolarHBondContact O-N 2.91Å; L261-A264 PolarHBondContact O-N 2.78Å; A264-Y266 VanDerWaalsContact C-N 3.33Å; A264-Y266 PolarHBondContact O-N 2.79Å; A264-W267 PolarHBondContact O-N 2.84Å; A264-K268 PolarHBondContact O-N 2.92Å; A264-P318 HydrophobicContact CB-CB 4.25Å; A264-Q319 VanDerWaalsContact N-NE2 3.17Å; A264-M322 HydrophobicContact CB-CB 3.91Å; A264-M322 HydrophobicContact CB-CE 3.69Å; A264-M322 HydrophobicContact CB-CG 4.3Å; A264-M322 HydrophobicContact CB-SD 3.61Å; A264-I323 HydrophobicContact CB-CG1 4.06Å; A264-I323 WeakPolarHBondContact O-CD1 3.47Å |
| 265 | Q | 96.1 | Very high | 93.8 | Very high | 11 Ų | 11 | 45.1 Ų | 45.1 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.1 | -172.2 | 172.1 | -92.5 | 0 | 0 | 112.3 | F55 R194 L261 G262 L263 K268 P269 | F55-Q265 HydrophobicContact CE1-CB 4.19Å; F55-Q265 HydrophobicContact CE1-CG 4.37Å; F55-Q265 HydrophobicContact CZ-CB 3.98Å; F55-Q265 HydrophobicContact CZ-CG 4.11Å; R194-Q265 PolarHBondContact O-NE2 2.89Å; L261-Q265 WeakPolarHBondContact O-CB 3.49Å; L261-Q265 PolarHBondContact O-N 3.17Å; G262-Q265 PolarHBondContact O-N 3.5Å; L263-Q265 VanDerWaalsContact C-N 3.32Å; L263-Q265 PolarHBondContact O-N 3.49Å; Q265-K268 CarbonylContact O-C 3.59Å; Q265-K268 VanDerWaalsContact O-C 3.28Å; Q265-K268 PolarHBondContact O-N 3.38Å; Q265-P269 WeakPolarHBondContact O-CA 3.43Å; Q265-P269 VanDerWaalsContact O-CD 3.29Å; Q265-P269 WeakPolarHBondContact O-CD 3.41Å; Q265-P269 VanDerWaalsContact O-CG 3.29Å; Q265-P269 WeakPolarHBondContact O-CG 3.34Å |
| 266 | Y | 96.3 | Very high | 93.3 | Very high | 152 Ų | 152 | 50.1 Ų | 50.1 | 60% | 0.596 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -63.1 | -44.6 | 178 | 177.7 | -101.1 | 0 | 0 | 0 | 112.1 | L196 G262 L263 A264 | L196-Y266 HydrophobicContact CB-CD2 4.12Å; L196-Y266 HydrophobicContact CB-CG 4.35Å; L196-Y266 HydrophobicContact CD2-CD1 4.31Å; L196-Y266 HydrophobicContact CD2-CD2 4.27Å; L196-Y266 HydrophobicContact CD2-CG 4.03Å; G262-Y266 WeakPolarHBondContact O-CB 3.29Å; G262-Y266 PolarHBondContact O-N 3.18Å; L263-Y266 WeakPolarHBondContact O-CB 3.26Å; L263-Y266 PolarHBondContact O-N 3.38Å; L263-Y266 VanDerWaalsContact O-N 3.08Å; A264-Y266 VanDerWaalsContact C-N 3.33Å; A264-Y266 PolarHBondContact O-N 2.79Å |
| 267 | W | 94.3 | Very high | 92.8 | Very high | 180 Ų | 180 | 53.9 Ų | 53.9 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -66.5 | -39.1 | 178.2 | -72.4 | 109.1 | 0 | 0 | 0 | 113 | L263 A264 I323 | L263-W267 PolarHBondContact O-N 3.17Å; A264-W267 PolarHBondContact O-N 2.84Å; W267-I323 HydrophobicContact CB-CD1 3.98Å; W267-I323 HydrophobicContact CB-CG1 4.4Å |
| 268 | K | 92.8 | Very high | 92.4 | Very high | 84 Ų | 84 | 54.8 Ų | 54.8 | 37% | 0.365 | 31% | 0.308 | S | S | . | . | trans | -140.9 | 80.8 | 179.4 | -164.4 | 74.3 | 175.6 | 175.7 | 0 | 111.6 | A264 Q265 G270 G271 Y272 I323 | A264-K268 PolarHBondContact O-N 2.92Å; Q265-K268 CarbonylContact O-C 3.59Å; Q265-K268 VanDerWaalsContact O-C 3.28Å; Q265-K268 PolarHBondContact O-N 3.38Å; K268-G270 PolarHBondContact O-N 3.28Å; K268-G270 VanDerWaalsContact O-N 3.14Å; K268-G271 WeakPolarHBondContact CE-O 3.35Å; K268-G271 WeakPolarHBondContact CG-O 3.49Å; K268-G271 PolarHBondContact O-N 2.97Å; K268-Y272 HydrophobicContact CD-CE2 4.37Å; K268-Y272 HydrophobicContact CG-CD2 4.26Å; K268-Y272 HydrophobicContact CG-CE2 3.99Å; K268-I323 HydrophobicContact CB-CD1 3.31Å; K268-I323 HydrophobicContact CG-CD1 4.43Å | ||
| 269 | P | 88.9 | Confident | 92.1 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 56% | 0.558 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -30.4 | -175.1 | -24.3 | 32.3 | 0 | 0 | 0 | 114.2 | R51 Q265 | R51-P269 PolarHBondContact NH1-O 2.81Å; R51-P269 PolarHBondContact NH2-O 3.45Å; Q265-P269 WeakPolarHBondContact O-CA 3.43Å; Q265-P269 VanDerWaalsContact O-CD 3.29Å; Q265-P269 WeakPolarHBondContact O-CD 3.41Å; Q265-P269 VanDerWaalsContact O-CG 3.29Å; Q265-P269 WeakPolarHBondContact O-CG 3.34Å |
| 270 | G | 85.3 | Confident | 91.8 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R51 K268 | R51-G270 PolarHBondContact NH1-O 3.43Å; K268-G270 PolarHBondContact O-N 3.28Å; K268-G270 VanDerWaalsContact O-N 3.14Å |
| 271 | G | 89.6 | Confident | 91.5 | Very high | 8 Ų | 8 | 64.7 Ų | 64.7 | 8% | 0.082 | 36% | 0.362 | C | S | . | . | trans | 60.2 | -163.6 | -162.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K268 | K268-G271 WeakPolarHBondContact CE-O 3.35Å; K268-G271 WeakPolarHBondContact CG-O 3.49Å; K268-G271 PolarHBondContact O-N 2.97Å | ||
| 272 | Y | 88.5 | Confident | 91.4 | Very high | 64 Ų | 64 | 64.7 Ų | 64.7 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | trans | -105.7 | 132.8 | 175.6 | -68.7 | -95.5 | 0 | 0 | 0 | 110.5 | K268 L274 P326 G327 H330 | K268-Y272 HydrophobicContact CD-CE2 4.37Å; K268-Y272 HydrophobicContact CG-CD2 4.26Å; K268-Y272 HydrophobicContact CG-CE2 3.99Å; Y272-L274 PolarHBondContact O-N 3.25Å; Y272-P326 HydrophobicContact CD2-CB 3.54Å; Y272-P326 HydrophobicContact CE2-CB 4.2Å; Y272-P326 HydrophobicContact CG-CB 3.95Å; Y272-G327 VanDerWaalsContact CZ-CA 3.41Å; Y272-H330 HydrophobicContact CD1-CB 3.78Å; Y272-H330 AromaticContact CD1-CG 3.82Å; Y272-H330 HydrophobicContact CE1-CB 4.27Å | ||
| 273 | T | 86.7 | Confident | 91.2 | Very high | 124 Ų | 124 | 66.7 Ų | 66.7 | 76% | 0.761 | 37% | 0.372 | S | S | * | . | trans | -80.4 | 103.2 | 172.7 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 274 | L | 85.9 | Confident | 91 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.052 | 38% | 0.384 | C | S | . | . | trans | -119.8 | 136.9 | -177.4 | -66.8 | 172.6 | 0 | 0 | 0 | 110.8 | Y272 P278 R279 C282 P326 H330 | Y272-L274 PolarHBondContact O-N 3.25Å; L274-P278 HydrophobicContact CB-CB 4.28Å; L274-P278 HydrophobicContact CD2-CB 4.08Å; L274-R279 HydrophobicContact CB-CG 3.81Å; L274-R279 PolarHBondContact O-NE 3.47Å; L274-R279 PolarHBondContact O-NH2 3.23Å; L274-C282 VanDerWaalsContact CD1-SG 3.51Å; L274-P326 HydrophobicContact CD1-CB 4.14Å; L274-H330 HydrophobicContact CD2-CB 4.09Å | ||
| 275 | P | 87.4 | Confident | 90.9 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 57% | 0.565 | 40% | 0.395 | S | S | * | . | trans | -63.6 | 170.1 | 165.9 | -16.3 | 27.7 | 0 | 0 | 0 | 112.4 | A277 P278 R279 | P275-A277 PolarHBondContact O-N 3.42Å; P275-P278 HydrophobicContact CB-CG 4.41Å; P275-P278 HydrophobicContact CG-CG 4.32Å; P275-P278 WeakPolarHBondContact O-CD 3.33Å; P275-R279 WeakPolarHBondContact O-CG 3.49Å; P275-R279 PolarHBondContact O-N 2.87Å; P275-R279 VanDerWaalsContact O-N 3.1Å | ||
| 276 | C | 86.2 | Confident | 90.9 | Very high | 107 Ų | 107 | 68.9 Ų | 68.9 | 72% | 0.723 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -58.4 | -45.2 | -175.6 | -66.3 | 0 | 0 | 0 | 0 | 114 | R279 A280 | C276-R279 WeakPolarHBondContact O-CB 3.24Å; C276-R279 PolarHBondContact O-N 3.28Å; C276-A280 PolarHBondContact O-N 3.27Å |
| 277 | A | 87.6 | Confident | 90.8 | Very high | 78 Ų | 78 | 63.8 Ų | 63.8 | 65% | 0.645 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.4 | -48 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P275 R279 A280 L281 | P275-A277 PolarHBondContact O-N 3.42Å; A277-R279 VanDerWaalsContact C-N 3.28Å; A277-R279 PolarHBondContact O-N 3.26Å; A277-A280 PolarHBondContact O-N 3.34Å; A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.07Å |
| 278 | P | 90.1 | Very high | 90.7 | Very high | 20 Ų | 20 | 60.3 Ų | 60.3 | 13% | 0.13 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.8 | -30.9 | 171.4 | -30.1 | 39 | 0 | 0 | 0 | 114.6 | L274 P275 L281 C282 V329 T333 | L274-P278 HydrophobicContact CB-CB 4.28Å; L274-P278 HydrophobicContact CD2-CB 4.08Å; P275-P278 HydrophobicContact CB-CG 4.41Å; P275-P278 HydrophobicContact CG-CG 4.32Å; P275-P278 WeakPolarHBondContact O-CD 3.33Å; P278-L281 PolarHBondContact O-N 2.72Å; P278-C282 PolarHBondContact O-N 2.89Å; P278-C282 PolarHBondContact O-SG 2.81Å; P278-V329 HydrophobicContact CB-CG1 3.81Å; P278-T333 HydrophobicContact CB-CG2 4.33Å; P278-T333 HydrophobicContact CG-CG2 3.98Å |
| 279 | R | 91.1 | Very high | 90.8 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.5 | -41.9 | 173.1 | -71.2 | 177.6 | -167.9 | -170.9 | 7.3 | 112.5 | F48 L274 P275 C276 A277 L281 C282 L283 | F48-R279 WeakPolarHBondContact O-CD 3.32Å; L274-R279 HydrophobicContact CB-CG 3.81Å; L274-R279 PolarHBondContact O-NE 3.47Å; L274-R279 PolarHBondContact O-NH2 3.23Å; P275-R279 WeakPolarHBondContact O-CG 3.49Å; P275-R279 PolarHBondContact O-N 2.87Å; P275-R279 VanDerWaalsContact O-N 3.1Å; C276-R279 WeakPolarHBondContact O-CB 3.24Å; C276-R279 PolarHBondContact O-N 3.28Å; A277-R279 VanDerWaalsContact C-N 3.28Å; A277-R279 PolarHBondContact O-N 3.26Å; R279-L281 VanDerWaalsContact C-N 3.32Å; R279-C282 WeakPolarHBondContact O-CB 3.34Å; R279-C282 PolarHBondContact O-N 3.45Å; R279-L283 PolarHBondContact O-N 3.21Å |
| 280 | A | 91.9 | Very high | 91.1 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 51% | 0.512 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | C276 A277 L283 A284 | C276-A280 PolarHBondContact O-N 3.27Å; A277-A280 PolarHBondContact O-N 3.34Å; A280-L283 PolarHBondContact O-N 3.27Å; A280-A284 PolarHBondContact O-N 3.02Å |
| 281 | L | 93.1 | Very high | 91.4 | Very high | 79 Ų | 79 | 56.5 Ų | 56.5 | 41% | 0.414 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 173 | -178.4 | 61.4 | 0 | 0 | 0 | 111.9 | A277 P278 R279 L283 A284 L285 V329 | A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.07Å; P278-L281 PolarHBondContact O-N 2.72Å; R279-L281 VanDerWaalsContact C-N 3.32Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.09Å; L281-A284 PolarHBondContact O-N 3.27Å; L281-L285 HydrophobicContact CD1-CD1 4.13Å; L281-L285 HydrophobicContact CD1-CG 4.14Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.39Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.03Å; L281-V329 HydrophobicContact CD2-CG1 4.14Å; L281-V329 HydrophobicContact CD2-CG2 4.13Å; L281-V329 HydrophobicContact CG-CG2 4.18Å |
| 282 | C | 94.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 175.3 | -68 | 0 | 0 | 0 | 0 | 111.8 | F48 L274 P278 R279 A284 L285 C286 V325 V329 | F48-C282 HydrophobicContact CD1-CB 4.02Å; F48-C282 HydrophobicContact CD2-CB 4.45Å; F48-C282 HydrophobicContact CE1-CB 3.42Å; F48-C282 VanDerWaalsContact CE1-CB 3.42Å; F48-C282 HydrophobicContact CE2-CB 3.92Å; F48-C282 HydrophobicContact CZ-CB 3.39Å; L274-C282 VanDerWaalsContact CD1-SG 3.51Å; P278-C282 PolarHBondContact O-N 2.89Å; P278-C282 PolarHBondContact O-SG 2.81Å; R279-C282 WeakPolarHBondContact O-CB 3.34Å; R279-C282 PolarHBondContact O-N 3.45Å; C282-A284 PolarHBondContact O-N 3.27Å; C282-L285 PolarHBondContact O-N 2.84Å; C282-C286 WeakPolarHBondContact O-CB 3.38Å; C282-C286 PolarHBondContact O-N 3.32Å; C282-C286 PolarHBondContact O-SG 2.67Å; C282-V325 HydrophobicContact CB-CG1 4.14Å; C282-V329 VanDerWaalsContact SG-CB 3.56Å |
| 283 | L | 94.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 177.2 | 179.1 | 59.9 | 0 | 0 | 0 | 111.1 | P44 L45 F48 R279 A280 L281 C286 S287 | P44-L283 HydrophobicContact CB-CD1 3.93Å; L45-L283 HydrophobicContact CB-CD1 4.3Å; L45-L283 HydrophobicContact CD1-CD2 3.82Å; F48-L283 HydrophobicContact CD2-CB 3.95Å; F48-L283 HydrophobicContact CD2-CD1 4.18Å; R279-L283 PolarHBondContact O-N 3.21Å; A280-L283 PolarHBondContact O-N 3.27Å; L281-L283 VanDerWaalsContact C-N 3.33Å; L281-L283 PolarHBondContact O-N 3.09Å; L283-C286 PolarHBondContact O-N 2.01Å; L283-S287 WeakPolarHBondContact O-CB 3.1Å; L283-S287 PolarHBondContact O-N 3.24Å; L283-S287 PolarHBondContact O-OG 3.37Å; L283-S287 VanDerWaalsContact O-OG 3.11Å |
| 284 | A | 94 | Very high | 91.7 | Very high | 60 Ų | 60 | 56.9 Ų | 56.9 | 50% | 0.496 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A280 L281 C282 S287 M288 | A280-A284 PolarHBondContact O-N 3.02Å; L281-A284 PolarHBondContact O-N 3.27Å; C282-A284 PolarHBondContact O-N 3.27Å; A284-S287 PolarHBondContact O-N 3.23Å; A284-M288 PolarHBondContact O-N 3.47Å |
| 285 | L | 95.4 | Very high | 91.8 | Very high | 44 Ų | 44 | 64.2 Ų | 64.2 | 23% | 0.23 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 178.4 | -69.6 | 177.4 | 0 | 0 | 0 | 112.1 | L281 C282 M288 A289 V325 F328 V329 | L281-L285 HydrophobicContact CD1-CD1 4.13Å; L281-L285 HydrophobicContact CD1-CG 4.14Å; L281-L285 HydrophobicContact CG-CD1 3.99Å; L281-L285 HydrophobicContact CG-CG 4.39Å; L281-L285 WeakPolarHBondContact O-CB 3.5Å; L281-L285 WeakPolarHBondContact O-CG 3.41Å; L281-L285 PolarHBondContact O-N 3.03Å; C282-L285 PolarHBondContact O-N 2.84Å; L285-M288 HydrophobicContact CD2-CE 3.97Å; L285-M288 PolarHBondContact O-N 2.84Å; L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.49Å; L285-A289 PolarHBondContact O-N 2.98Å; L285-V325 HydrophobicContact CB-CG1 3.61Å; L285-V325 HydrophobicContact CD1-CG1 4.31Å; L285-F328 HydrophobicContact CD1-CD1 4.47Å; L285-V329 HydrophobicContact CD1-CG2 3.68Å |
| 286 | C | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 173.4 | -77.5 | 0 | 0 | 0 | 0 | 111.3 | P44 F48 C282 L283 M288 A289 L290 V325 | P44-C286 HydrophobicContact CB-CB 4.27Å; F48-C286 HydrophobicContact CE2-CB 4.22Å; C282-C286 WeakPolarHBondContact O-CB 3.38Å; C282-C286 PolarHBondContact O-N 3.32Å; C282-C286 PolarHBondContact O-SG 2.67Å; L283-C286 PolarHBondContact O-N 2.01Å; C286-M288 VanDerWaalsContact C-N 3.29Å; C286-M288 PolarHBondContact O-N 3.35Å; C286-A289 PolarHBondContact O-N 3Å; C286-L290 VanDerWaalsContact O-CB 3.28Å; C286-L290 WeakPolarHBondContact O-CB 3.41Å; C286-L290 WeakPolarHBondContact O-CG 3.16Å; C286-L290 PolarHBondContact O-N 3.31Å; C286-V325 VanDerWaalsContact SG-CB 3.51Å; C286-V325 VanDerWaalsContact SG-CG1 3.58Å |
| 287 | S | 92.9 | Very high | 91.9 | Very high | 46 Ų | 46 | 65.8 Ų | 65.8 | 32% | 0.322 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.8 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | L283 A284 Y291 | L283-S287 WeakPolarHBondContact O-CB 3.1Å; L283-S287 PolarHBondContact O-N 3.24Å; L283-S287 PolarHBondContact O-OG 3.37Å; L283-S287 VanDerWaalsContact O-OG 3.11Å; A284-S287 PolarHBondContact O-N 3.23Å; S287-Y291 VanDerWaalsContact O-CB 3.22Å; S287-Y291 WeakPolarHBondContact O-CB 3.38Å; S287-Y291 PolarHBondContact O-N 3.39Å |
| 288 | M | 93.9 | Very high | 92 | Very high | 107 Ų | 107 | 64 Ų | 64 | 53% | 0.527 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -50.1 | 175.1 | -174.8 | 176.6 | 70.7 | 0 | 0 | 111.8 | A284 L285 C286 L290 Y291 H292 | A284-M288 PolarHBondContact O-N 3.47Å; L285-M288 HydrophobicContact CD2-CE 3.97Å; L285-M288 PolarHBondContact O-N 2.84Å; C286-M288 VanDerWaalsContact C-N 3.29Å; C286-M288 PolarHBondContact O-N 3.35Å; M288-L290 PolarHBondContact O-N 2.91Å; M288-Y291 WeakPolarHBondContact O-CB 3.4Å; M288-Y291 PolarHBondContact O-N 2.94Å; M288-H292 PolarHBondContact O-CD2 3.38Å; M288-H292 PolarHBondContact O-N 3.3Å; M288-H292 VanDerWaalsContact O-N 3.08Å |
| 289 | A | 94.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 65.5 Ų | 65.5 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L285 C286 Y291 H292 V293 V320 | L285-A289 VanDerWaalsContact O-CB 3.29Å; L285-A289 WeakPolarHBondContact O-CB 3.49Å; L285-A289 PolarHBondContact O-N 2.98Å; C286-A289 PolarHBondContact O-N 3Å; A289-Y291 VanDerWaalsContact C-N 3.34Å; A289-Y291 PolarHBondContact O-N 2.86Å; A289-H292 PolarHBondContact O-N 3.38Å; A289-V293 WeakPolarHBondContact O-CG2 3.47Å; A289-V293 PolarHBondContact O-N 3.01Å; A289-V320 HydrophobicContact CB-CG1 3.81Å |
| 290 | L | 94.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.6 | -34 | 179.7 | -67.3 | -179.9 | 0 | 0 | 0 | 112.5 | L40 P44 C286 M288 V293 H294 V317 V320 V321 | L40-L290 HydrophobicContact CD2-CB 4.3Å; L40-L290 HydrophobicContact CD2-CD2 4.47Å; P44-L290 HydrophobicContact CG-CD1 3.42Å; P44-L290 VanDerWaalsContact CG-CD1 3.42Å; C286-L290 VanDerWaalsContact O-CB 3.28Å; C286-L290 WeakPolarHBondContact O-CB 3.41Å; C286-L290 WeakPolarHBondContact O-CG 3.16Å; C286-L290 PolarHBondContact O-N 3.31Å; M288-L290 PolarHBondContact O-N 2.91Å; L290-V293 PolarHBondContact O-N 3.47Å; L290-H294 VanDerWaalsContact O-CB 3.24Å; L290-H294 WeakPolarHBondContact O-CB 3.44Å; L290-H294 PolarHBondContact O-N 3.38Å; L290-V317 HydrophobicContact CD1-CG1 4.32Å; L290-V317 HydrophobicContact CD2-CB 4.13Å; L290-V317 HydrophobicContact CD2-CG1 3.89Å; L290-V317 HydrophobicContact CD2-CG2 3.93Å; L290-V320 HydrophobicContact CD2-CB 4.22Å; L290-V320 HydrophobicContact CD2-CG1 4.16Å; L290-V320 HydrophobicContact CG-CG1 4.38Å; L290-V321 HydrophobicContact CD1-CG2 3.84Å |
| 291 | Y | 92.8 | Very high | 91.2 | Very high | 113 Ų | 113 | 68.9 Ų | 68.9 | 44% | 0.443 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 171.2 | 169.8 | -96.6 | 0 | 0 | 0 | 111.7 | S287 M288 A289 H294 R295 | S287-Y291 VanDerWaalsContact O-CB 3.22Å; S287-Y291 WeakPolarHBondContact O-CB 3.38Å; S287-Y291 PolarHBondContact O-N 3.39Å; M288-Y291 WeakPolarHBondContact O-CB 3.4Å; M288-Y291 PolarHBondContact O-N 2.94Å; A289-Y291 VanDerWaalsContact C-N 3.34Å; A289-Y291 PolarHBondContact O-N 2.86Å; Y291-H294 PolarHBondContact O-N 2.94Å; Y291-R295 WeakPolarHBondContact O-CG 3.3Å; Y291-R295 PolarHBondContact O-N 3.39Å; Y291-R295 PolarHBondContact OH-NE 3.02Å; Y291-R295 PolarHBondContact OH-NH1 3.19Å; Y291-R295 PolarHBondContact OH-NH2 2.66Å |
| 292 | H | 91.7 | Very high | 91.1 | Very high | 109 Ų | 109 | 68.8 Ų | 68.8 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66.1 | -46.1 | 175.9 | -72.6 | -65.3 | 0 | 0 | 0 | 112 | M288 A289 H294 R295 L296 | M288-H292 PolarHBondContact O-CD2 3.38Å; M288-H292 PolarHBondContact O-N 3.3Å; M288-H292 VanDerWaalsContact O-N 3.08Å; A289-H292 PolarHBondContact O-N 3.38Å; H292-H294 VanDerWaalsContact C-N 3.26Å; H292-H294 PolarHBondContact O-N 3.36Å; H292-R295 PolarHBondContact O-N 2.83Å; H292-R295 VanDerWaalsContact O-N 3.12Å; H292-L296 WeakPolarHBondContact O-CG 3.43Å; H292-L296 PolarHBondContact O-N 3.28Å |
| 293 | V | 89.8 | Confident | 90.8 | Very high | 26 Ų | 26 | 73.2 Ų | 73.2 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -55.1 | -45.3 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | A289 L290 R295 L296 K313 | A289-V293 WeakPolarHBondContact O-CG2 3.47Å; A289-V293 PolarHBondContact O-N 3.01Å; L290-V293 PolarHBondContact O-N 3.47Å; V293-R295 VanDerWaalsContact C-N 3.35Å; V293-R295 PolarHBondContact O-N 2.95Å; V293-L296 WeakPolarHBondContact O-CB 2.91Å; V293-L296 PolarHBondContact O-N 3.41Å; V293-K313 HydrophobicContact CG1-CG 3.78Å; V293-K313 WeakPolarHBondContact O-CE 2.99Å; V293-K313 PolarHBondContact O-NZ 2.93Å |
| 294 | H | 88.4 | Confident | 90.6 | Very high | 69 Ų | 69 | 75.9 Ų | 75.9 | 32% | 0.319 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.6 | -38.6 | 179.1 | -175.4 | 63.3 | 0 | 0 | 0 | 112.9 | L40 L290 Y291 H292 L296 K313 | L40-H294 HydrophobicContact CD1-CB 4.03Å; L290-H294 VanDerWaalsContact O-CB 3.24Å; L290-H294 WeakPolarHBondContact O-CB 3.44Å; L290-H294 PolarHBondContact O-N 3.38Å; Y291-H294 PolarHBondContact O-N 2.94Å; H292-H294 VanDerWaalsContact C-N 3.26Å; H292-H294 PolarHBondContact O-N 3.36Å; H294-L296 VanDerWaalsContact C-N 3.33Å; H294-L296 PolarHBondContact O-N 3.36Å; H294-K313 PolarHBondContact O-NZ 3.49Å |
| 295 | R | 88.8 | Confident | 90.6 | Very high | 164 Ų | 164 | 76.2 Ų | 76.2 | 62% | 0.619 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -75.6 | -15.4 | 179.7 | -76.2 | -171 | 174.1 | -143.5 | -3 | 115.2 | Y291 H292 V293 P297 | Y291-R295 WeakPolarHBondContact O-CG 3.3Å; Y291-R295 PolarHBondContact O-N 3.39Å; Y291-R295 PolarHBondContact OH-NE 3.02Å; Y291-R295 PolarHBondContact OH-NH1 3.19Å; Y291-R295 PolarHBondContact OH-NH2 2.66Å; H292-R295 PolarHBondContact O-N 2.83Å; H292-R295 VanDerWaalsContact O-N 3.12Å; V293-R295 VanDerWaalsContact C-N 3.35Å; V293-R295 PolarHBondContact O-N 2.95Å; R295-P297 VanDerWaalsContact O-CD 3.28Å; R295-P297 WeakPolarHBondContact O-CD 3.48Å; R295-P297 VanDerWaalsContact O-N 3.08Å |
| 296 | L | 88.1 | Confident | 90.4 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 55% | 0.55 | 39% | 0.391 | S | S | . | . | trans | -57.5 | 116.2 | 177.5 | -69.4 | 173 | 0 | 0 | 0 | 109.9 | H292 V293 H294 K313 | H292-L296 WeakPolarHBondContact O-CG 3.43Å; H292-L296 PolarHBondContact O-N 3.28Å; V293-L296 WeakPolarHBondContact O-CB 2.91Å; V293-L296 PolarHBondContact O-N 3.41Å; H294-L296 VanDerWaalsContact C-N 3.33Å; H294-L296 PolarHBondContact O-N 3.36Å; L296-K313 PolarHBondContact O-NZ 3.45Å | ||
| 297 | P | 87.1 | Confident | 90.3 | Very high | 121 Ų | 121 | 77.2 Ų | 77.2 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | trans | -68 | 139 | 177.8 | 28.9 | -33.1 | 0 | 0 | 0 | 108.9 | R295 | R295-P297 VanDerWaalsContact O-CD 3.28Å; R295-P297 WeakPolarHBondContact O-CD 3.48Å; R295-P297 VanDerWaalsContact O-N 3.08Å | ||
| 298 | L | 89.1 | Confident | 90.4 | Very high | 41 Ų | 41 | 80.9 Ų | 80.9 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | trans | -107.9 | 145.6 | 175.7 | -59.1 | 175.7 | 0 | 0 | 0 | 109.3 | I300 F306 L309 F310 K313 | L298-I300 PolarHBondContact O-N 2.88Å; L298-F306 HydrophobicContact CB-CD2 3.89Å; L298-F306 HydrophobicContact CB-CE2 4.04Å; L298-F306 HydrophobicContact CD1-CD2 4.5Å; L298-F306 HydrophobicContact CD1-CE2 4.27Å; L298-L309 HydrophobicContact CD1-CB 4.39Å; L298-L309 HydrophobicContact CD2-CB 3.93Å; L298-L309 HydrophobicContact CD2-CD1 4.48Å; L298-F310 HydrophobicContact CD1-CB 4.16Å; L298-F310 HydrophobicContact CD1-CD2 3.78Å; L298-F310 HydrophobicContact CD1-CG 4.49Å; L298-K313 HydrophobicContact CD1-CD 4.12Å | ||
| 299 | P | 88.4 | Confident | 90.4 | Very high | 52 Ų | 52 | 78.2 Ų | 78.2 | 34% | 0.338 | 40% | 0.397 | S | S | . | . | trans | -60.6 | 126.7 | 175.1 | 26.6 | -34.2 | 0 | 0 | 0 | 109.5 | Q301 L305 F306 L309 | P299-Q301 VanDerWaalsContact C-N 3.33Å; P299-L305 HydrophobicContact CB-CD2 4.37Å; P299-L305 HydrophobicContact CG-CD2 3.73Å; P299-L305 HydrophobicContact CG-CG 4Å; P299-F306 WeakPolarHBondContact O-CB 3.42Å; P299-L309 HydrophobicContact CG-CD1 3.58Å | ||
| 300 | I | 83.8 | Confident | 90.4 | Very high | 103 Ų | 103 | 77.2 Ų | 77.2 | 53% | 0.528 | 39% | 0.387 | S | S | . | . | trans | -76.9 | -26.8 | 179.9 | -66.9 | 166.8 | 0 | 0 | 0 | 111.1 | L243 L298 | L243-I300 HydrophobicContact CD1-CB 4.4Å; L243-I300 HydrophobicContact CD1-CG1 4.41Å; L243-I300 HydrophobicContact CD1-CG2 3.37Å; L298-I300 PolarHBondContact O-N 2.88Å | ||
| 301 | Q | 85 | Confident | 90.5 | Very high | 131 Ų | 131 | 79.4 Ų | 79.4 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -129.1 | 137.2 | 178.4 | -67 | -65.7 | -8.3 | 0 | 0 | 110.2 | P299 | P299-Q301 VanDerWaalsContact C-N 3.33Š|
| 302 | P | 90.6 | Very high | 90.6 | Very high | 77 Ų | 77 | 76.9 Ų | 76.9 | 50% | 0.5 | 39% | 0.39 | S | S | . | . | S | Bend | cis | -74.5 | 147.4 | -3.6 | 32 | -35.8 | 0 | 0 | 0 | 112.7 | P304 L305 F306 | P302-P304 VanDerWaalsContact C-CD 3.48Å; P302-L305 HydrophobicContact CG-CB 3.9Å; P302-L305 WeakPolarHBondContact O-CB 3.29Å; P302-L305 PolarHBondContact O-N 2.98Å; P302-F306 PolarHBondContact O-N 3.38Å |
| 303 | Q | 88.4 | Confident | 90.8 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.7 | -40.2 | -176.8 | -69.1 | -175.9 | -10.5 | 0 | 0 | 115.2 | L305 F306 Y307 | Q303-L305 VanDerWaalsContact C-N 3.26Å; Q303-L305 PolarHBondContact O-N 2.85Å; Q303-F306 WeakPolarHBondContact O-CB 2.86Å; Q303-F306 PolarHBondContact O-N 3.3Å; Q303-F306 VanDerWaalsContact O-N 3.16Å; Q303-Y307 HydrophobicContact CB-CE2 4.23Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.45Å; Q303-Y307 PolarHBondContact O-N 3.02Å; Q303-Y307 VanDerWaalsContact O-N 3.14Å |
| 304 | P | 90.5 | Very high | 91.1 | Very high | 100 Ų | 100 | 71.5 Ų | 71.5 | 65% | 0.649 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.3 | -35.9 | 175.8 | -26.4 | 36.3 | 0 | 0 | 0 | 113.4 | P302 Y307 F308 | P302-P304 VanDerWaalsContact C-CD 3.48Å; P304-Y307 PolarHBondContact O-N 3.36Å; P304-F308 WeakPolarHBondContact O-CB 3.38Å; P304-F308 PolarHBondContact O-N 3.08Å |
| 305 | L | 92.5 | Very high | 91.6 | Very high | 67 Ų | 67 | 69 Ų | 69 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -40.8 | 176.8 | -179.5 | 63.6 | 0 | 0 | 0 | 111.1 | P299 P302 Q303 Y307 F308 L309 | P299-L305 HydrophobicContact CB-CD2 4.37Å; P299-L305 HydrophobicContact CG-CD2 3.73Å; P299-L305 HydrophobicContact CG-CG 4Å; P302-L305 HydrophobicContact CG-CB 3.9Å; P302-L305 WeakPolarHBondContact O-CB 3.29Å; P302-L305 PolarHBondContact O-N 2.98Å; Q303-L305 VanDerWaalsContact C-N 3.26Å; Q303-L305 PolarHBondContact O-N 2.85Å; L305-Y307 PolarHBondContact O-N 2.92Å; L305-F308 PolarHBondContact O-N 2.91Å; L305-L309 HydrophobicContact CD1-CD1 3.93Å; L305-L309 HydrophobicContact CD1-CG 4Å; L305-L309 HydrophobicContact CG-CD1 3.89Å; L305-L309 HydrophobicContact CG-CG 4.34Å; L305-L309 WeakPolarHBondContact O-CB 3.24Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.5Å; L305-L309 PolarHBondContact O-N 3.16Å |
| 306 | F | 92.4 | Very high | 91.9 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 9% | 0.088 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -55.3 | -53 | 174 | 176.4 | -94.8 | 0 | 0 | 0 | 111 | L243 L298 P299 P302 Q303 F308 L309 F310 | L243-F306 HydrophobicContact CB-CE1 4.49Å; L243-F306 HydrophobicContact CB-CZ 4.4Å; L298-F306 HydrophobicContact CB-CD2 3.89Å; L298-F306 HydrophobicContact CB-CE2 4.04Å; L298-F306 HydrophobicContact CD1-CD2 4.5Å; L298-F306 HydrophobicContact CD1-CE2 4.27Å; P299-F306 WeakPolarHBondContact O-CB 3.42Å; P302-F306 PolarHBondContact O-N 3.38Å; Q303-F306 WeakPolarHBondContact O-CB 2.86Å; Q303-F306 PolarHBondContact O-N 3.3Å; Q303-F306 VanDerWaalsContact O-N 3.16Å; F306-F308 PolarHBondContact O-N 3.3Å; F306-L309 PolarHBondContact O-N 3.15Å; F306-F310 HydrophobicContact CZ-CD2 4.25Å; F306-F310 VanDerWaalsContact O-CB 3.3Å; F306-F310 WeakPolarHBondContact O-CB 3.39Å; F306-F310 PolarHBondContact O-N 3.46Å |
| 307 | Y | 93.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 18% | 0.176 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | -178.2 | -70.2 | -50.8 | 0 | 0 | 0 | 112.9 | F248 S249 Q303 P304 L305 F310 F311 | F248-Y307 HydrophobicContact CB-CD1 4.08Å; F248-Y307 HydrophobicContact CB-CE1 3.53Å; F248-Y307 HydrophobicContact CB-CE2 4.24Å; S249-Y307 WeakPolarHBondContact OG-CE1 3.49Å; Q303-Y307 HydrophobicContact CB-CE2 4.23Å; Q303-Y307 WeakPolarHBondContact O-CD2 3.45Å; Q303-Y307 PolarHBondContact O-N 3.02Å; Q303-Y307 VanDerWaalsContact O-N 3.14Å; P304-Y307 PolarHBondContact O-N 3.36Å; L305-Y307 PolarHBondContact O-N 2.92Å; Y307-F310 PolarHBondContact O-N 2.98Å; Y307-F311 WeakPolarHBondContact O-CB 3.2Å; Y307-F311 PolarHBondContact O-N 3.05Å |
| 308 | F | 94.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 53.8 Ų | 53.8 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -46.6 | 175.5 | 177.2 | -107.2 | 0 | 0 | 0 | 112.3 | P304 L305 F306 F310 F311 I312 | P304-F308 WeakPolarHBondContact O-CB 3.38Å; P304-F308 PolarHBondContact O-N 3.08Å; L305-F308 PolarHBondContact O-N 2.91Å; F306-F308 PolarHBondContact O-N 3.3Å; F308-F310 VanDerWaalsContact C-N 3.32Å; F308-F310 PolarHBondContact O-N 3.48Å; F308-F311 WeakPolarHBondContact O-CB 3.44Å; F308-F311 PolarHBondContact O-N 3.46Å; F308-I312 HydrophobicContact CD1-CD1 3.9Å; F308-I312 HydrophobicContact CE1-CD1 3.34Å; F308-I312 HydrophobicContact CE1-CG1 4.44Å; F308-I312 HydrophobicContact CE2-CD1 4.19Å; F308-I312 HydrophobicContact CZ-CD1 3.52Å; F308-I312 HydrophobicContact CZ-CG1 4.36Å; F308-I312 WeakPolarHBondContact O-CG1 3.1Å; F308-I312 PolarHBondContact O-N 3.41Å |
| 309 | L | 94.8 | Very high | 93.3 | Very high | 51 Ų | 51 | 52.5 Ų | 52.5 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 177.2 | -67.2 | 174.4 | 0 | 0 | 0 | 111.9 | L298 P299 L305 F306 I312 K313 | L298-L309 HydrophobicContact CD1-CB 4.39Å; L298-L309 HydrophobicContact CD2-CB 3.93Å; L298-L309 HydrophobicContact CD2-CD1 4.48Å; P299-L309 HydrophobicContact CG-CD1 3.58Å; L305-L309 HydrophobicContact CD1-CD1 3.93Å; L305-L309 HydrophobicContact CD1-CG 4Å; L305-L309 HydrophobicContact CG-CD1 3.89Å; L305-L309 HydrophobicContact CG-CG 4.34Å; L305-L309 WeakPolarHBondContact O-CB 3.24Å; L305-L309 VanDerWaalsContact O-CG 3.29Å; L305-L309 WeakPolarHBondContact O-CG 3.5Å; L305-L309 PolarHBondContact O-N 3.16Å; F306-L309 PolarHBondContact O-N 3.15Å; L309-I312 PolarHBondContact O-N 2.99Å; L309-K313 VanDerWaalsContact O-CB 3.26Å; L309-K313 WeakPolarHBondContact O-CB 3.3Å; L309-K313 PolarHBondContact O-N 3.36Å |
| 310 | F | 93.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 50.7 Ų | 50.7 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -42 | 173.9 | -158.7 | -107.9 | 0 | 0 | 0 | 111.5 | S249 R253 L298 F306 Y307 F308 K313 F314 | S249-F310 WeakPolarHBondContact O-CD1 3.5Å; S249-F310 WeakPolarHBondContact O-CE1 3.38Å; R253-F310 HydrophobicContact CB-CD1 4.3Å; R253-F310 HydrophobicContact CB-CE1 3.8Å; L298-F310 HydrophobicContact CD1-CB 4.16Å; L298-F310 HydrophobicContact CD1-CD2 3.78Å; L298-F310 HydrophobicContact CD1-CG 4.49Å; F306-F310 HydrophobicContact CZ-CD2 4.25Å; F306-F310 VanDerWaalsContact O-CB 3.3Å; F306-F310 WeakPolarHBondContact O-CB 3.39Å; F306-F310 PolarHBondContact O-N 3.46Å; Y307-F310 PolarHBondContact O-N 2.98Å; F308-F310 VanDerWaalsContact C-N 3.32Å; F308-F310 PolarHBondContact O-N 3.48Å; F310-K313 WeakPolarHBondContact O-CB 3.44Å; F310-K313 PolarHBondContact O-N 3.33Å; F310-F314 HydrophobicContact CD1-CD2 4.07Å; F310-F314 HydrophobicContact CD1-CE2 4.14Å; F310-F314 HydrophobicContact CD2-CE2 4.29Å; F310-F314 AromaticContact CE1-CD2 3.93Å; F310-F314 HydrophobicContact CE1-CD2 3.93Å; F310-F314 AromaticContact CE1-CE2 3.59Å; F310-F314 HydrophobicContact CE1-CE2 3.59Å; F310-F314 HydrophobicContact CE2-CD2 4.5Å; F310-F314 AromaticContact CE2-CE2 3.77Å; F310-F314 HydrophobicContact CE2-CE2 3.77Å; F310-F314 HydrophobicContact CG-CD2 4.44Å; F310-F314 HydrophobicContact CG-CE2 4.48Å; F310-F314 HydrophobicContact CZ-CD2 4.18Å; F310-F314 AromaticContact CZ-CE2 3.41Å; F310-F314 HydrophobicContact CZ-CE2 3.41Å; F310-F314 VanDerWaalsContact CZ-CE2 3.41Å; F310-F314 HydrophobicContact CZ-CZ 4.26Å; F310-F314 WeakPolarHBondContact O-CD2 3.16Å; F310-F314 PolarHBondContact O-N 3.16Å; F310-F314 VanDerWaalsContact O-N 3.11Å |
| 311 | F | 96.3 | Very high | 94.3 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.7 | -48 | 171.9 | 173.2 | -90 | 0 | 0 | 0 | 111.9 | T252 C255 G256 L259 Y307 F308 K313 F314 T315 | T252-F311 WeakPolarHBondContact O-CD2 3.28Å; C255-F311 HydrophobicContact CB-CD2 4.08Å; C255-F311 HydrophobicContact CB-CE2 3.79Å; G256-F311 VanDerWaalsContact CA-CE2 3.47Å; G256-F311 VanDerWaalsContact N-CE2 3.33Å; L259-F311 HydrophobicContact CB-CZ 4.42Å; L259-F311 HydrophobicContact CD2-CE1 4Å; L259-F311 HydrophobicContact CD2-CZ 3.55Å; Y307-F311 WeakPolarHBondContact O-CB 3.2Å; Y307-F311 PolarHBondContact O-N 3.05Å; F308-F311 WeakPolarHBondContact O-CB 3.44Å; F308-F311 PolarHBondContact O-N 3.46Å; F311-K313 VanDerWaalsContact C-N 3.33Å; F311-K313 PolarHBondContact O-N 3.14Å; F311-F314 PolarHBondContact O-N 3.31Å; F311-T315 WeakPolarHBondContact O-CB 3.29Å; F311-T315 PolarHBondContact O-N 3.18Å; F311-T315 PolarHBondContact O-OG1 3.44Å |
| 312 | I | 96.4 | Very high | 94.9 | Very high | 60 Ų | 60 | 39.7 Ų | 39.7 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.6 | -45.9 | 176.4 | -70.8 | 172.9 | 0 | 0 | 0 | 110.6 | F308 L309 F314 T315 I316 | F308-I312 HydrophobicContact CD1-CD1 3.9Å; F308-I312 HydrophobicContact CE1-CD1 3.34Å; F308-I312 HydrophobicContact CE1-CG1 4.44Å; F308-I312 HydrophobicContact CE2-CD1 4.19Å; F308-I312 HydrophobicContact CZ-CD1 3.52Å; F308-I312 HydrophobicContact CZ-CG1 4.36Å; F308-I312 WeakPolarHBondContact O-CG1 3.1Å; F308-I312 PolarHBondContact O-N 3.41Å; L309-I312 PolarHBondContact O-N 2.99Å; I312-F314 VanDerWaalsContact C-N 3.29Å; I312-F314 PolarHBondContact O-N 2.98Å; I312-T315 WeakPolarHBondContact O-CA 3.44Å; I312-T315 WeakPolarHBondContact O-CB 3.37Å; I312-T315 PolarHBondContact O-N 3.31Å; I312-I316 HydrophobicContact CG2-CD1 3.82Å; I312-I316 HydrophobicContact CG2-CG1 4.39Å; I312-I316 WeakPolarHBondContact O-CG1 3.27Å; I312-I316 PolarHBondContact O-N 3.4Å |
| 313 | K | 95.3 | Very high | 95.2 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -55.3 | -43 | -179.9 | -179.6 | 170.6 | 174 | 155.7 | 0 | 112 | V293 H294 L296 L298 L309 F310 F311 | V293-K313 HydrophobicContact CG1-CG 3.78Å; V293-K313 WeakPolarHBondContact O-CE 2.99Å; V293-K313 PolarHBondContact O-NZ 2.93Å; H294-K313 PolarHBondContact O-NZ 3.49Å; L296-K313 PolarHBondContact O-NZ 3.45Å; L298-K313 HydrophobicContact CD1-CD 4.12Å; L309-K313 VanDerWaalsContact O-CB 3.26Å; L309-K313 WeakPolarHBondContact O-CB 3.3Å; L309-K313 PolarHBondContact O-N 3.36Å; F310-K313 WeakPolarHBondContact O-CB 3.44Å; F310-K313 PolarHBondContact O-N 3.33Å; F311-K313 VanDerWaalsContact C-N 3.33Å; F311-K313 PolarHBondContact O-N 3.14Å |
| 314 | F | 96.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -81.1 | -22.9 | 176.5 | -79.7 | -83.1 | 0 | 0 | 0 | 114.1 | K36 F39 L40 R253 F310 F311 I312 I316 V317 P318 | K36-F314 HydrophobicContact CG-CZ 4.4Å; F39-F314 HydrophobicContact CB-CD1 4.33Å; F39-F314 HydrophobicContact CB-CE1 4.13Å; F39-F314 HydrophobicContact CG-CD1 4.49Å; F39-F314 HydrophobicContact CG-CE1 4.45Å; L40-F314 HydrophobicContact CD2-CE1 4.42Å; R253-F314 HydrophobicContact CB-CB 4.49Å; R253-F314 HydrophobicContact CB-CD1 4.34Å; R253-F314 HydrophobicContact CB-CD2 3.79Å; R253-F314 HydrophobicContact CB-CE2 4.09Å; R253-F314 HydrophobicContact CB-CG 3.93Å; R253-F314 HydrophobicContact CB-CZ 4.47Å; R253-F314 VanDerWaalsContact CD-CE1 3.43Å; R253-F314 HydrophobicContact CG-CB 4.39Å; R253-F314 HydrophobicContact CG-CD1 3.59Å; R253-F314 HydrophobicContact CG-CD2 3.95Å; R253-F314 HydrophobicContact CG-CE1 3.75Å; R253-F314 HydrophobicContact CG-CE2 4.12Å; R253-F314 HydrophobicContact CG-CG 3.69Å; R253-F314 HydrophobicContact CG-CZ 4.02Å; F310-F314 HydrophobicContact CD1-CD2 4.07Å; F310-F314 HydrophobicContact CD1-CE2 4.14Å; F310-F314 HydrophobicContact CD2-CE2 4.29Å; F310-F314 AromaticContact CE1-CD2 3.93Å; F310-F314 HydrophobicContact CE1-CD2 3.93Å; F310-F314 AromaticContact CE1-CE2 3.59Å; F310-F314 HydrophobicContact CE1-CE2 3.59Å; F310-F314 HydrophobicContact CE2-CD2 4.5Å; F310-F314 AromaticContact CE2-CE2 3.77Å; F310-F314 HydrophobicContact CE2-CE2 3.77Å; F310-F314 HydrophobicContact CG-CD2 4.44Å; F310-F314 HydrophobicContact CG-CE2 4.48Å; F310-F314 HydrophobicContact CZ-CD2 4.18Å; F310-F314 AromaticContact CZ-CE2 3.41Å; F310-F314 HydrophobicContact CZ-CE2 3.41Å; F310-F314 VanDerWaalsContact CZ-CE2 3.41Å; F310-F314 HydrophobicContact CZ-CZ 4.26Å; F310-F314 WeakPolarHBondContact O-CD2 3.16Å; F310-F314 PolarHBondContact O-N 3.16Å; F310-F314 VanDerWaalsContact O-N 3.11Å; F311-F314 PolarHBondContact O-N 3.31Å; I312-F314 VanDerWaalsContact C-N 3.29Å; I312-F314 PolarHBondContact O-N 2.98Å; F314-I316 VanDerWaalsContact C-N 3.29Å; F314-I316 PolarHBondContact O-N 3.42Å; F314-V317 HydrophobicContact CD1-CG2 4.17Å; F314-V317 PolarHBondContact O-N 3.01Å; F314-P318 VanDerWaalsContact O-CD 3.23Å; F314-P318 WeakPolarHBondContact O-CD 3.05Å |
| 315 | T | 97.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.11 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -35.1 | 168.5 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | G256 L259 G260 L263 F311 I312 V317 | G256-T315 WeakPolarHBondContact CA-OG1 3.26Å; G256-T315 VanDerWaalsContact O-CA 3.25Å; G256-T315 WeakPolarHBondContact O-CA 3.26Å; G256-T315 PolarHBondContact O-OG1 2.99Å; L259-T315 HydrophobicContact CD2-CG2 4.4Å; L259-T315 HydrophobicContact CG-CG2 4.43Å; G260-T315 WeakPolarHBondContact CA-O 3.15Å; L263-T315 HydrophobicContact CD1-CG2 4.05Å; F311-T315 WeakPolarHBondContact O-CB 3.29Å; F311-T315 PolarHBondContact O-N 3.18Å; F311-T315 PolarHBondContact O-OG1 3.44Å; I312-T315 WeakPolarHBondContact O-CA 3.44Å; I312-T315 WeakPolarHBondContact O-CB 3.37Å; I312-T315 PolarHBondContact O-N 3.31Å; T315-V317 VanDerWaalsContact C-N 3.34Å |
| 316 | I | 96.9 | Very high | 95.9 | Very high | 65 Ų | 65 | 32.7 Ų | 32.7 | 33% | 0.333 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.7 | -30.1 | 177.5 | -69.9 | 166.3 | 0 | 0 | 0 | 112 | I312 F314 Q319 V320 | I312-I316 HydrophobicContact CG2-CD1 3.82Å; I312-I316 HydrophobicContact CG2-CG1 4.39Å; I312-I316 WeakPolarHBondContact O-CG1 3.27Å; I312-I316 PolarHBondContact O-N 3.4Å; F314-I316 VanDerWaalsContact C-N 3.29Å; F314-I316 PolarHBondContact O-N 3.42Å; I316-Q319 WeakPolarHBondContact O-CA 3.36Å; I316-Q319 WeakPolarHBondContact O-CB 3.33Å; I316-Q319 PolarHBondContact O-N 3.26Å; I316-V320 HydrophobicContact CG2-CG2 3.68Å; I316-V320 PolarHBondContact O-N 3.39Å |
| 317 | V | 97.3 | Very high | 96 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.018 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -55.2 | -53.8 | -174 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | F39 L40 F43 L290 F314 T315 Q319 V320 V321 | F39-V317 WeakPolarHBondContact O-CG1 3.14Å; L40-V317 HydrophobicContact CD2-CG2 3.88Å; F43-V317 HydrophobicContact CD1-CG1 4.18Å; F43-V317 HydrophobicContact CE1-CG1 4.38Å; L290-V317 HydrophobicContact CD1-CG1 4.32Å; L290-V317 HydrophobicContact CD2-CB 4.13Å; L290-V317 HydrophobicContact CD2-CG1 3.89Å; L290-V317 HydrophobicContact CD2-CG2 3.93Å; F314-V317 HydrophobicContact CD1-CG2 4.17Å; F314-V317 PolarHBondContact O-N 3.01Å; T315-V317 VanDerWaalsContact C-N 3.34Å; V317-Q319 VanDerWaalsContact C-N 3.31Å; V317-Q319 PolarHBondContact O-N 3.48Å; V317-V320 PolarHBondContact O-N 2.91Å; V317-V321 WeakPolarHBondContact O-CG2 3.49Å; V317-V321 PolarHBondContact O-N 2.96Å |
| 318 | P | 97.5 | Very high | 96 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -33.8 | 173.2 | -26.4 | 36.9 | 0 | 0 | 0 | 114.7 | F43 G260 L261 A264 F314 V321 M322 | F43-P318 HydrophobicContact CE1-CB 4.36Å; F43-P318 HydrophobicContact CE1-CG 4.41Å; F43-P318 HydrophobicContact CZ-CB 4.35Å; G260-P318 VanDerWaalsContact C-CB 3.42Å; G260-P318 WeakPolarHBondContact O-CB 3.37Å; L261-P318 HydrophobicContact CB-CG 4.4Å; A264-P318 HydrophobicContact CB-CB 4.25Å; F314-P318 VanDerWaalsContact O-CD 3.23Å; F314-P318 WeakPolarHBondContact O-CD 3.05Å; P318-V321 PolarHBondContact O-N 3.28Å; P318-M322 HydrophobicContact CB-SD 4.24Å; P318-M322 VanDerWaalsContact O-CB 3.27Å; P318-M322 WeakPolarHBondContact O-CB 3.22Å; P318-M322 WeakPolarHBondContact O-CG 3.47Å; P318-M322 PolarHBondContact O-N 3.34Å |
| 319 | Q | 97.7 | Very high | 96 | Very high | 15 Ų | 15 | 30 Ų | 30 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 177.9 | -52.9 | -52.2 | -49.3 | 0 | 0 | 111.5 | G260 L263 A264 I316 V317 I323 Y324 | G260-Q319 PolarHBondContact O-NE2 3.35Å; L263-Q319 VanDerWaalsContact CB-NE2 3.34Å; A264-Q319 VanDerWaalsContact N-NE2 3.17Å; I316-Q319 WeakPolarHBondContact O-CA 3.36Å; I316-Q319 WeakPolarHBondContact O-CB 3.33Å; I316-Q319 PolarHBondContact O-N 3.26Å; V317-Q319 VanDerWaalsContact C-N 3.31Å; V317-Q319 PolarHBondContact O-N 3.48Å; Q319-I323 WeakPolarHBondContact O-CA 3.37Å; Q319-I323 WeakPolarHBondContact O-CB 3.27Å; Q319-I323 PolarHBondContact O-N 2.83Å; Q319-Y324 HydrophobicContact CB-CD2 3.84Å; Q319-Y324 HydrophobicContact CB-CE2 3.46Å; Q319-Y324 VanDerWaalsContact CB-CE2 3.46Å; Q319-Y324 HydrophobicContact CG-CE2 4.44Å; Q319-Y324 WeakPolarHBondContact O-CD2 3.41Å; Q319-Y324 PolarHBondContact O-N 3.07Å |
| 320 | V | 97.2 | Very high | 95.8 | Very high | 14 Ų | 14 | 30.2 Ų | 30.2 | 9% | 0.085 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -60.6 | -48.4 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | A289 L290 I316 V317 Y324 V325 | A289-V320 HydrophobicContact CB-CG1 3.81Å; L290-V320 HydrophobicContact CD2-CB 4.22Å; L290-V320 HydrophobicContact CD2-CG1 4.16Å; L290-V320 HydrophobicContact CG-CG1 4.38Å; I316-V320 HydrophobicContact CG2-CG2 3.68Å; I316-V320 PolarHBondContact O-N 3.39Å; V317-V320 PolarHBondContact O-N 2.91Å; V320-Y324 HydrophobicContact CG2-CD2 4.48Å; V320-V325 HydrophobicContact CG1-CG2 3.83Å; V320-V325 WeakPolarHBondContact O-CB 3.45Å; V320-V325 PolarHBondContact O-N 3.48Å; V320-V325 VanDerWaalsContact O-N 3.13Å |
| 321 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -72.2 | -38 | -172.9 | 175.5 | 0 | 0 | 0 | 0 | 113.2 | F43 P44 Y47 F48 L290 V317 P318 P326 | F43-V321 HydrophobicContact CD1-CB 4.27Å; F43-V321 HydrophobicContact CD1-CG1 4.22Å; F43-V321 HydrophobicContact CD1-CG2 3.94Å; F43-V321 HydrophobicContact CE1-CB 3.5Å; F43-V321 HydrophobicContact CE1-CG1 3.65Å; F43-V321 HydrophobicContact CE1-CG2 3.6Å; F43-V321 HydrophobicContact CE2-CG1 4.37Å; F43-V321 HydrophobicContact CZ-CB 3.93Å; F43-V321 HydrophobicContact CZ-CG1 3.74Å; F43-V321 HydrophobicContact CZ-CG2 4.49Å; P44-V321 HydrophobicContact CB-CG1 4.37Å; P44-V321 HydrophobicContact CB-CG2 4.19Å; P44-V321 HydrophobicContact CG-CG2 3.8Å; Y47-V321 HydrophobicContact CD1-CG1 3.91Å; Y47-V321 HydrophobicContact CG-CG1 4.07Å; F48-V321 HydrophobicContact CE2-CG1 4.31Å; F48-V321 HydrophobicContact CZ-CG1 4.4Å; F48-V321 WeakPolarHBondContact CZ-O 3.42Å; L290-V321 HydrophobicContact CD1-CG2 3.84Å; V317-V321 WeakPolarHBondContact O-CG2 3.49Å; V317-V321 PolarHBondContact O-N 2.96Å; P318-V321 PolarHBondContact O-N 3.28Å; V321-P326 WeakPolarHBondContact O-CD 3.48Å; V321-P326 WeakPolarHBondContact O-CG 3.36Å |
| 322 | M | 96.9 | Very high | 95.3 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.015 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -103 | -27.8 | -169.9 | -60 | 174.5 | 52.6 | 0 | 0 | 113.5 | F43 Y47 F55 L261 A264 P318 | F43-M322 HydrophobicContact CZ-CG 4.05Å; F43-M322 HydrophobicContact CZ-SD 4.03Å; Y47-M322 HydrophobicContact CD2-CG 4.13Å; Y47-M322 HydrophobicContact CE1-CG 4.17Å; Y47-M322 HydrophobicContact CE2-CB 4.44Å; Y47-M322 HydrophobicContact CE2-CE 4.13Å; Y47-M322 HydrophobicContact CE2-CG 3.58Å; Y47-M322 HydrophobicContact CE2-SD 4.13Å; F55-M322 HydrophobicContact CE2-CE 3.64Å; F55-M322 HydrophobicContact CE2-SD 4.44Å; F55-M322 HydrophobicContact CZ-CE 3.46Å; F55-M322 VanDerWaalsContact CZ-CE 3.46Å; F55-M322 HydrophobicContact CZ-SD 4.45Å; L261-M322 HydrophobicContact CD1-CE 4.4Å; L261-M322 HydrophobicContact CD1-SD 3.69Å; A264-M322 HydrophobicContact CB-CB 3.91Å; A264-M322 HydrophobicContact CB-CE 3.69Å; A264-M322 HydrophobicContact CB-CG 4.3Å; A264-M322 HydrophobicContact CB-SD 3.61Å; P318-M322 HydrophobicContact CB-SD 4.24Å; P318-M322 VanDerWaalsContact O-CB 3.27Å; P318-M322 WeakPolarHBondContact O-CB 3.22Å; P318-M322 WeakPolarHBondContact O-CG 3.47Å; P318-M322 PolarHBondContact O-N 3.34Å |
| 323 | I | 96.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -114.6 | -67 | -171.5 | -56 | -60.7 | 0 | 0 | 0 | 111.5 | A264 W267 K268 Q319 G327 | A264-I323 HydrophobicContact CB-CG1 4.06Å; A264-I323 WeakPolarHBondContact O-CD1 3.47Å; W267-I323 HydrophobicContact CB-CD1 3.98Å; W267-I323 HydrophobicContact CB-CG1 4.4Å; K268-I323 HydrophobicContact CB-CD1 3.31Å; K268-I323 HydrophobicContact CG-CD1 4.43Å; Q319-I323 WeakPolarHBondContact O-CA 3.37Å; Q319-I323 WeakPolarHBondContact O-CB 3.27Å; Q319-I323 PolarHBondContact O-N 2.83Å; I323-G327 WeakPolarHBondContact O-CA 3.31Å; I323-G327 PolarHBondContact O-N 3.46Å |
| 324 | Y | 95.8 | Very high | 93.4 | Very high | 149 Ų | 149 | 44.1 Ų | 44.1 | 58% | 0.584 | 22% | 0.22 | S | C | * | . | I | π-helix | trans | -69.2 | -52.8 | -165.4 | -62.1 | -54.5 | 0 | 0 | 0 | 112.8 | Q319 V320 F328 | Q319-Y324 HydrophobicContact CB-CD2 3.84Å; Q319-Y324 HydrophobicContact CB-CE2 3.46Å; Q319-Y324 VanDerWaalsContact CB-CE2 3.46Å; Q319-Y324 HydrophobicContact CG-CE2 4.44Å; Q319-Y324 WeakPolarHBondContact O-CD2 3.41Å; Q319-Y324 PolarHBondContact O-N 3.07Å; V320-Y324 HydrophobicContact CG2-CD2 4.48Å; Y324-F328 WeakPolarHBondContact O-CB 3.46Å; Y324-F328 PolarHBondContact O-N 3.26Å |
| 325 | V | 96.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 52.8 Ų | 52.8 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -48.8 | -178.6 | 173.6 | 0 | 0 | 0 | 0 | 111.5 | C282 L285 C286 V320 G327 F328 V329 | C282-V325 HydrophobicContact CB-CG1 4.14Å; L285-V325 HydrophobicContact CB-CG1 3.61Å; L285-V325 HydrophobicContact CD1-CG1 4.31Å; C286-V325 VanDerWaalsContact SG-CB 3.51Å; C286-V325 VanDerWaalsContact SG-CG1 3.58Å; V320-V325 HydrophobicContact CG1-CG2 3.83Å; V320-V325 WeakPolarHBondContact O-CB 3.45Å; V320-V325 PolarHBondContact O-N 3.48Å; V320-V325 VanDerWaalsContact O-N 3.13Å; V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 PolarHBondContact O-N 3.43Å; V325-F328 PolarHBondContact O-N 3.04Å; V325-V329 HydrophobicContact CG1-CG2 4.46Å; V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 2.89Å |
| 326 | P | 94.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.019 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 177 | -24 | 36.1 | 0 | 0 | 0 | 112.9 | F48 Y272 L274 V321 V329 H330 | F48-P326 HydrophobicContact CE1-CG 3.87Å; F48-P326 HydrophobicContact CZ-CG 3.99Å; Y272-P326 HydrophobicContact CD2-CB 3.54Å; Y272-P326 HydrophobicContact CE2-CB 4.2Å; Y272-P326 HydrophobicContact CG-CB 3.95Å; L274-P326 HydrophobicContact CD1-CB 4.14Å; V321-P326 WeakPolarHBondContact O-CD 3.48Å; V321-P326 WeakPolarHBondContact O-CG 3.36Å; P326-V329 PolarHBondContact O-N 2.69Å; P326-H330 WeakPolarHBondContact O-CB 3.49Å; P326-H330 PolarHBondContact O-N 3.11Å |
| 327 | G | 94 | Very high | 86.7 | Confident | 17 Ų | 17 | 65.3 Ų | 65.3 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y272 I323 V325 H330 L331 | Y272-G327 VanDerWaalsContact CZ-CA 3.41Å; I323-G327 WeakPolarHBondContact O-CA 3.31Å; I323-G327 PolarHBondContact O-N 3.46Å; V325-G327 VanDerWaalsContact C-N 3.31Å; V325-G327 PolarHBondContact O-N 3.43Å; G327-H330 PolarHBondContact O-N 3.26Å; G327-L331 WeakPolarHBondContact O-CB 3.37Å; G327-L331 PolarHBondContact O-N 3.02Å |
| 328 | F | 94 | Very high | 84.2 | Confident | 115 Ų | 115 | 72.4 Ų | 72.4 | 50% | 0.504 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -49.2 | 174.5 | 178 | -108.4 | 0 | 0 | 0 | 111.9 | L285 Y324 V325 H330 L331 L332 | L285-F328 HydrophobicContact CD1-CD1 4.47Å; Y324-F328 WeakPolarHBondContact O-CB 3.46Å; Y324-F328 PolarHBondContact O-N 3.26Å; V325-F328 PolarHBondContact O-N 3.04Å; F328-H330 VanDerWaalsContact C-N 3.33Å; F328-H330 PolarHBondContact O-N 3.36Å; F328-L331 WeakPolarHBondContact O-CB 3.37Å; F328-L331 PolarHBondContact O-N 3.47Å; F328-L332 HydrophobicContact CD1-CD1 4Å; F328-L332 HydrophobicContact CE1-CD1 3.43Å; F328-L332 VanDerWaalsContact CE1-CD1 3.43Å; F328-L332 HydrophobicContact CE1-CG 4.37Å; F328-L332 HydrophobicContact CE2-CD1 4.22Å; F328-L332 HydrophobicContact CE2-CG 4.42Å; F328-L332 HydrophobicContact CZ-CD1 3.57Å; F328-L332 HydrophobicContact CZ-CG 4.23Å; F328-L332 WeakPolarHBondContact O-CG 3.5Å; F328-L332 PolarHBondContact O-N 2.7Å; F328-L332 VanDerWaalsContact O-N 3.08Å |
| 329 | V | 93.4 | Very high | 81.3 | Confident | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.5 | -38.6 | 178.3 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | P278 L281 C282 L285 V325 P326 L332 T333 | P278-V329 HydrophobicContact CB-CG1 3.81Å; L281-V329 HydrophobicContact CD2-CG1 4.14Å; L281-V329 HydrophobicContact CD2-CG2 4.13Å; L281-V329 HydrophobicContact CG-CG2 4.18Å; C282-V329 VanDerWaalsContact SG-CB 3.56Å; L285-V329 HydrophobicContact CD1-CG2 3.68Å; V325-V329 HydrophobicContact CG1-CG2 4.46Å; V325-V329 WeakPolarHBondContact O-CG2 3.36Å; V325-V329 PolarHBondContact O-N 2.89Å; P326-V329 PolarHBondContact O-N 2.69Å; V329-L332 PolarHBondContact O-N 2.72Å; V329-T333 HydrophobicContact CG1-CG2 4.21Å; V329-T333 WeakPolarHBondContact O-CB 3.32Å; V329-T333 WeakPolarHBondContact O-CG2 3.42Å; V329-T333 PolarHBondContact O-N 3.16Å; V329-T333 PolarHBondContact O-OG1 3.2Å |
| 330 | H | 90.6 | Very high | 80.5 | Confident | 55 Ų | 55 | 87.6 Ų | 87.6 | 26% | 0.255 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 175.5 | -172.2 | 72.5 | 0 | 0 | 0 | 111.1 | Y272 L274 P326 G327 F328 L332 T333 H334 | Y272-H330 HydrophobicContact CD1-CB 3.78Å; Y272-H330 AromaticContact CD1-CG 3.82Å; Y272-H330 HydrophobicContact CE1-CB 4.27Å; L274-H330 HydrophobicContact CD2-CB 4.09Å; P326-H330 WeakPolarHBondContact O-CB 3.49Å; P326-H330 PolarHBondContact O-N 3.11Å; G327-H330 PolarHBondContact O-N 3.26Å; F328-H330 VanDerWaalsContact C-N 3.33Å; F328-H330 PolarHBondContact O-N 3.36Å; H330-L332 VanDerWaalsContact C-N 3.34Å; H330-L332 PolarHBondContact O-N 3.26Å; H330-T333 PolarHBondContact O-N 2.61Å; H330-T333 PolarHBondContact O-OG1 3.01Å; H330-H334 AromaticContact NE2-CD2 3.89Å; H330-H334 WeakPolarHBondContact O-CB 3.34Å; H330-H334 PolarHBondContact O-N 2.81Å |
| 331 | L | 90.1 | Very high | 79.7 | Confident | 129 Ų | 129 | 91.4 Ų | 91.4 | 68% | 0.675 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 176.4 | -173.2 | 72.9 | 0 | 0 | 0 | 112.3 | G327 F328 | G327-L331 WeakPolarHBondContact O-CB 3.37Å; G327-L331 PolarHBondContact O-N 3.02Å; F328-L331 WeakPolarHBondContact O-CB 3.37Å; F328-L331 PolarHBondContact O-N 3.47Å |
| 332 | L | 88.9 | Confident | 78.7 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 53% | 0.534 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.9 | -33.7 | 178.9 | -69.3 | 179.5 | 0 | 0 | 0 | 113.1 | F328 V329 H330 | F328-L332 HydrophobicContact CD1-CD1 4Å; F328-L332 HydrophobicContact CE1-CD1 3.43Å; F328-L332 VanDerWaalsContact CE1-CD1 3.43Å; F328-L332 HydrophobicContact CE1-CG 4.37Å; F328-L332 HydrophobicContact CE2-CD1 4.22Å; F328-L332 HydrophobicContact CE2-CG 4.42Å; F328-L332 HydrophobicContact CZ-CD1 3.57Å; F328-L332 HydrophobicContact CZ-CG 4.23Å; F328-L332 WeakPolarHBondContact O-CG 3.5Å; F328-L332 PolarHBondContact O-N 2.7Å; F328-L332 VanDerWaalsContact O-N 3.08Å; V329-L332 PolarHBondContact O-N 2.72Å; H330-L332 VanDerWaalsContact C-N 3.34Å; H330-L332 PolarHBondContact O-N 3.26Å |
| 333 | T | 84.6 | Confident | 77.6 | Confident | 63 Ų | 63 | 102 Ų | 102 | 39% | 0.387 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -94.9 | -18.5 | -172.8 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | P278 V329 H330 K335 | P278-T333 HydrophobicContact CB-CG2 4.33Å; P278-T333 HydrophobicContact CG-CG2 3.98Å; V329-T333 HydrophobicContact CG1-CG2 4.21Å; V329-T333 WeakPolarHBondContact O-CB 3.32Å; V329-T333 WeakPolarHBondContact O-CG2 3.42Å; V329-T333 PolarHBondContact O-N 3.16Å; V329-T333 PolarHBondContact O-OG1 3.2Å; H330-T333 PolarHBondContact O-N 2.61Å; H330-T333 PolarHBondContact O-OG1 3.01Å; T333-K335 VanDerWaalsContact C-N 3.26Å; T333-K335 PolarHBondContact O-N 3.43Å |
| 334 | H | 68 | Low | 76.4 | Confident | 135 Ų | 135 | 107 Ų | 107 | 63% | 0.625 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.7 | 178.7 | -167.1 | -77.4 | 0 | 0 | 0 | 113.4 | H330 N336 | H330-H334 AromaticContact NE2-CD2 3.89Å; H330-H334 WeakPolarHBondContact O-CB 3.34Å; H330-H334 PolarHBondContact O-N 2.81Å; H334-N336 PolarHBondContact O-N 2.88Å |
| 335 | K | 55.1 | Low | 75.1 | Confident | 182 Ų | 182 | 104.2 Ų | 104.2 | 79% | 0.791 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.7 | -170 | -113.4 | -174.7 | 177.9 | -173.3 | 0 | 117.3 | T333 | T333-K335 VanDerWaalsContact C-N 3.26Å; T333-K335 PolarHBondContact O-N 3.43Å |
| 336 | N | 50.1 | Low | 73.6 | Confident | 153 Ų | 153 | 110.4 Ų | 110.4 | 82% | 0.818 | 55% | 0.554 | S | S | * | * | trans | -110.2 | 48 | -175.8 | -77.1 | 9 | 0 | 0 | 0 | 114.4 | H334 | H334-N336 PolarHBondContact O-N 2.88Š| ||
| 337 | K | 45.6 | Very low | 72 | Confident | 194 Ų | 194 | 118.7 Ų | 118.7 | 84% | 0.843 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -122.3 | 2.4 | 173.8 | -99.8 | -170.5 | 177.5 | -173.2 | 0 | 116.5 | ||
| 338 | N | 44 | Very low | 70.2 | Confident | 152 Ų | 152 | 127.2 Ų | 127.2 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | trans | -127.7 | 89.9 | 171.1 | -71.4 | 2.8 | 0 | 0 | 0 | 108.5 | ||||
| 339 | D | 37.7 | Very low | 68 | Low | 246 Ų | 246 | 128.3 Ų | 128.3 | 100% | 1.316 | 64% | 0.642 | S | S | * | * | trans | -143.6 | 0 | 148.8 | -85.4 | -27 | 0 | 0 | 0 | 107.3 |
Retrieved 339 of 339 residues in 355.4 ms
(Link to these results)