| 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 | A | 70.5 | Confident | 94.2 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 91% | 0.909 | 34% | 0.34 | S | S | * | . | 0 | -59 | 0 | 0 | 0 | 0 | 0 | 0 | 112 | G4 M5 | A1-G4 PolarHBondContact O-N 2.74Å; A1-M5 PolarHBondContact O-N 3.36Å | |||
| 2 | W | 91.3 | Very high | 94.5 | Very high | 153 Ų | 153 | 62.1 Ų | 62.1 | 58% | 0.58 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -57.7 | -56.1 | -176.2 | -173.9 | 81.4 | 0 | 0 | 0 | 114.6 | G4 M5 V6 L86 L90 | W2-G4 VanDerWaalsContact C-N 3.29Å; W2-G4 PolarHBondContact O-N 3.38Å; W2-M5 WeakPolarHBondContact O-CB 3.1Å; W2-M5 PolarHBondContact O-N 3.1Å; W2-V6 HydrophobicContact CD2-CG2 4.39Å; W2-V6 HydrophobicContact CH2-CG2 4.35Å; W2-V6 HydrophobicContact CZ2-CG2 4.19Å; W2-V6 PolarHBondContact O-N 3.04Å; W2-L86 HydrophobicContact CE3-CD2 3.68Å; W2-L86 HydrophobicContact CZ3-CD2 3.4Å; W2-L86 VanDerWaalsContact CZ3-CD2 3.4Å; W2-L86 HydrophobicContact CZ3-CG 3.96Å; W2-L90 HydrophobicContact CH2-CD1 3.52Å; W2-L90 HydrophobicContact CZ3-CD1 3.94Å |
| 3 | A | 94.8 | Very high | 94.8 | Very high | 11 Ų | 11 | 63.8 Ų | 63.8 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.7 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | M5 V6 G7 I41 F45 L86 | A3-M5 VanDerWaalsContact C-N 3.32Å; A3-M5 PolarHBondContact O-N 3.4Å; A3-V6 WeakPolarHBondContact O-CB 3.35Å; A3-V6 PolarHBondContact O-N 2.88Å; A3-V6 VanDerWaalsContact O-N 3.17Å; A3-G7 PolarHBondContact O-N 3.26Å; A3-I41 HydrophobicContact CB-CG2 4.24Å; A3-I41 WeakPolarHBondContact O-CG2 3.3Å; A3-F45 HydrophobicContact CB-CB 3.89Å; A3-F45 WeakPolarHBondContact CB-O 3.39Å; A3-L86 HydrophobicContact CB-CD2 3.72Å |
| 4 | G | 95 | Very high | 95 | Very high | 9 Ų | 9 | 60.6 Ų | 60.6 | 9% | 0.093 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | A1 W2 T8 | A1-G4 PolarHBondContact O-N 2.74Å; W2-G4 VanDerWaalsContact C-N 3.29Å; W2-G4 PolarHBondContact O-N 3.38Å; G4-T8 WeakPolarHBondContact O-CB 3.38Å; G4-T8 PolarHBondContact O-N 3.29Å; G4-T8 PolarHBondContact O-OG1 3.39Å |
| 5 | M | 96.8 | Very high | 95.2 | Very high | 124 Ų | 124 | 68.3 Ų | 68.3 | 61% | 0.611 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.5 | -42.3 | 173.3 | -68.7 | -172.7 | -65.4 | 0 | 0 | 111.2 | A1 W2 A3 T8 S9 | A1-M5 PolarHBondContact O-N 3.36Å; W2-M5 WeakPolarHBondContact O-CB 3.1Å; W2-M5 PolarHBondContact O-N 3.1Å; A3-M5 VanDerWaalsContact C-N 3.32Å; A3-M5 PolarHBondContact O-N 3.4Å; M5-T8 PolarHBondContact O-N 2.88Å; M5-S9 PolarHBondContact O-N 3.4Å; M5-S9 PolarHBondContact O-OG 3.49Å |
| 6 | V | 97.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 66.8 Ų | 66.8 | 21% | 0.212 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.3 | -47.1 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | W2 A3 T8 S9 L10 I41 L90 | W2-V6 HydrophobicContact CD2-CG2 4.39Å; W2-V6 HydrophobicContact CH2-CG2 4.35Å; W2-V6 HydrophobicContact CZ2-CG2 4.19Å; W2-V6 PolarHBondContact O-N 3.04Å; A3-V6 WeakPolarHBondContact O-CB 3.35Å; A3-V6 PolarHBondContact O-N 2.88Å; A3-V6 VanDerWaalsContact O-N 3.17Å; V6-T8 VanDerWaalsContact C-N 3.31Å; V6-T8 PolarHBondContact O-N 3.31Å; V6-S9 WeakPolarHBondContact CA-OG 3.45Å; V6-S9 PolarHBondContact O-N 3.02Å; V6-S9 PolarHBondContact O-OG 2.96Å; V6-L10 HydrophobicContact CG1-CD1 4.47Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.29Å; V6-I41 HydrophobicContact CG1-CD1 3.84Å; V6-L90 HydrophobicContact CG1-CD2 4.31Å |
| 7 | G | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A3 L10 S11 H38 | A3-G7 PolarHBondContact O-N 3.26Å; G7-L10 PolarHBondContact O-N 3.44Å; G7-S11 PolarHBondContact O-N 3.31Å; G7-H38 PolarHBondContact O-CE1 2.8Å; G7-H38 PolarHBondContact O-ND1 3.43Å |
| 8 | T | 97.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 66.3 Ų | 66.3 | 42% | 0.423 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.8 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | G4 M5 V6 L10 S11 I12 | G4-T8 WeakPolarHBondContact O-CB 3.38Å; G4-T8 PolarHBondContact O-N 3.29Å; G4-T8 PolarHBondContact O-OG1 3.39Å; M5-T8 PolarHBondContact O-N 2.88Å; V6-T8 VanDerWaalsContact C-N 3.31Å; V6-T8 PolarHBondContact O-N 3.31Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.01Å; T8-S11 VanDerWaalsContact O-CB 3.32Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.88Å; T8-S11 VanDerWaalsContact O-N 3.16Å; T8-I12 HydrophobicContact CG2-CD1 4.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.36Å; T8-I12 PolarHBondContact O-N 2.96Å |
| 9 | S | 98 | Very high | 95.6 | Very high | 59 Ų | 59 | 65.9 Ų | 65.9 | 41% | 0.413 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 175.8 | 54.7 | 0 | 0 | 0 | 0 | 112 | M5 V6 S11 I12 L13 | M5-S9 PolarHBondContact O-N 3.4Å; M5-S9 PolarHBondContact O-OG 3.49Å; V6-S9 WeakPolarHBondContact CA-OG 3.45Å; V6-S9 PolarHBondContact O-N 3.02Å; V6-S9 PolarHBondContact O-OG 2.96Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.28Å; S9-I12 PolarHBondContact O-N 2.93Å; S9-L13 WeakPolarHBondContact O-CG 3.44Å; S9-L13 PolarHBondContact O-N 3.47Å; S9-L13 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 98.3 | Very high | 95.5 | Very high | 27 Ų | 27 | 68.4 Ų | 68.4 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 174 | -63.6 | 172.5 | 0 | 0 | 0 | 111.4 | V6 G7 T8 I12 L13 I14 I34 A37 H38 I41 | V6-L10 HydrophobicContact CG1-CD1 4.47Å; V6-L10 WeakPolarHBondContact O-CG 3.35Å; V6-L10 PolarHBondContact O-N 3.29Å; G7-L10 PolarHBondContact O-N 3.44Å; T8-L10 VanDerWaalsContact C-N 3.32Å; T8-L10 PolarHBondContact O-N 3.01Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.19Å; L10-L13 HydrophobicContact CD2-CD1 4.5Å; L10-L13 WeakPolarHBondContact O-CB 3.18Å; L10-L13 PolarHBondContact O-N 2.56Å; L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 3.36Å; L10-I34 HydrophobicContact CB-CG2 4Å; L10-I34 HydrophobicContact CD2-CG1 4.34Å; L10-I34 HydrophobicContact CD2-CG2 3.94Å; L10-A37 HydrophobicContact CD1-CB 3.88Å; L10-H38 HydrophobicContact CB-CB 3.88Å; L10-H38 HydrophobicContact CD1-CB 4.35Å; L10-I41 HydrophobicContact CD1-CD1 3.81Å |
| 11 | S | 98.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 71.6 Ų | 71.6 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 174 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | G7 T8 S9 L13 I14 R15 | G7-S11 PolarHBondContact O-N 3.31Å; T8-S11 VanDerWaalsContact O-CB 3.32Å; T8-S11 WeakPolarHBondContact O-CB 3.39Å; T8-S11 PolarHBondContact O-N 2.88Å; T8-S11 VanDerWaalsContact O-N 3.16Å; S9-S11 VanDerWaalsContact C-N 3.33Å; S9-S11 PolarHBondContact O-N 3.28Å; S11-L13 VanDerWaalsContact C-N 3.32Å; S11-L13 PolarHBondContact O-N 3.11Å; S11-I14 PolarHBondContact O-N 3.02Å; S11-R15 WeakPolarHBondContact O-CG 3.39Å; S11-R15 PolarHBondContact O-N 3.15Å |
| 12 | I | 98.2 | Very high | 96.3 | Very high | 109 Ų | 109 | 69.2 Ų | 69.2 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -62.4 | -41.4 | 177.2 | -67.8 | 167.5 | 0 | 0 | 0 | 110.6 | T8 S9 L10 R15 A16 | T8-I12 HydrophobicContact CG2-CD1 4.31Å; T8-I12 WeakPolarHBondContact O-CG1 3.36Å; T8-I12 PolarHBondContact O-N 2.96Å; S9-I12 PolarHBondContact O-N 2.93Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-I12 PolarHBondContact O-N 3.19Å; I12-R15 PolarHBondContact O-N 3.36Å; I12-A16 WeakPolarHBondContact O-CB 3.5Å; I12-A16 PolarHBondContact O-N 3.02Å |
| 13 | L | 97.9 | Very high | 96.2 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 175.4 | -67 | 174.4 | 0 | 0 | 0 | 112 | S9 L10 S11 R15 A16 E17 I34 | S9-L13 WeakPolarHBondContact O-CG 3.44Å; S9-L13 PolarHBondContact O-N 3.47Å; S9-L13 VanDerWaalsContact O-N 3.08Å; L10-L13 HydrophobicContact CD2-CD1 4.5Å; L10-L13 WeakPolarHBondContact O-CB 3.18Å; L10-L13 PolarHBondContact O-N 2.56Å; S11-L13 VanDerWaalsContact C-N 3.32Å; S11-L13 PolarHBondContact O-N 3.11Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.44Å; L13-A16 PolarHBondContact O-N 3.24Å; L13-E17 PolarHBondContact O-N 2.92Å; L13-I34 HydrophobicContact CB-CG2 4.42Å; L13-I34 HydrophobicContact CD1-CD1 4.4Å |
| 14 | I | 98.3 | Very high | 96.1 | Very high | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 175.6 | -64.7 | 162.4 | 0 | 0 | 0 | 110.5 | L10 S11 E17 L18 Y31 I34 V35 H38 | L10-I14 VanDerWaalsContact O-CG1 3.29Å; L10-I14 WeakPolarHBondContact O-CG1 3.3Å; L10-I14 PolarHBondContact O-N 3.36Å; S11-I14 PolarHBondContact O-N 3.02Å; I14-E17 PolarHBondContact O-N 3.08Å; I14-L18 HydrophobicContact CG2-CD1 4.14Å; I14-L18 WeakPolarHBondContact O-CG 3.4Å; I14-L18 PolarHBondContact O-N 2.62Å; I14-L18 VanDerWaalsContact O-N 3.13Å; I14-Y31 HydrophobicContact CG2-CE2 4.06Å; I14-I34 HydrophobicContact CD1-CG2 4.1Å; I14-I34 HydrophobicContact CG1-CG2 3.65Å; I14-V35 HydrophobicContact CD1-CB 4.39Å; I14-V35 HydrophobicContact CD1-CG2 3.86Å; I14-V35 HydrophobicContact CG1-CG2 3.89Å; I14-V35 HydrophobicContact CG2-CG2 4.36Å; I14-H38 HydrophobicContact CD1-CB 3.88Å |
| 15 | R | 97.9 | Very high | 96.1 | Very high | 176 Ų | 176 | 72.5 Ų | 72.5 | 66% | 0.664 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -70.7 | -32.2 | -180 | -66.8 | -59.2 | -167.6 | -167.8 | 1.8 | 112.8 | S11 I12 L13 L18 G19 | S11-R15 WeakPolarHBondContact O-CG 3.39Å; S11-R15 PolarHBondContact O-N 3.15Å; I12-R15 PolarHBondContact O-N 3.36Å; L13-R15 VanDerWaalsContact C-N 3.3Å; L13-R15 PolarHBondContact O-N 3.44Å; R15-L18 PolarHBondContact O-N 3.42Å; R15-G19 PolarHBondContact O-N 3.19Å; R15-G19 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 96.9 | Very high | 96 | Very high | 45 Ų | 45 | 69.5 Ų | 69.5 | 37% | 0.372 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I12 L13 L18 G19 L24 | I12-A16 WeakPolarHBondContact O-CB 3.5Å; I12-A16 PolarHBondContact O-N 3.02Å; L13-A16 PolarHBondContact O-N 3.24Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.13Å; A16-G19 PolarHBondContact O-N 3.27Å; A16-L24 HydrophobicContact CB-CD2 3.92Å |
| 17 | E | 97 | Very high | 95.9 | Very high | 24 Ų | 24 | 71.3 Ų | 71.3 | 11% | 0.112 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 174.1 | -172.6 | 62.9 | -151.4 | 0 | 0 | 111.6 | L13 I14 G19 A23 L24 I25 Y31 | L13-E17 PolarHBondContact O-N 2.92Å; I14-E17 PolarHBondContact O-N 3.08Å; E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 3.1Å; E17-A23 WeakPolarHBondContact OE1-CA 3.42Å; E17-L24 PolarHBondContact OE1-N 3.33Å; E17-L24 WeakPolarHBondContact OE2-CA 3.34Å; E17-L24 WeakPolarHBondContact OE2-CB 3.41Å; E17-L24 PolarHBondContact OE2-N 2.94Å; E17-I25 HydrophobicContact CB-CD1 4.15Å; E17-I25 HydrophobicContact CG-CD1 4.16Å; E17-I25 WeakPolarHBondContact OE2-CB 3.13Å; E17-I25 WeakPolarHBondContact OE2-CD1 3.21Å; E17-I25 WeakPolarHBondContact OE2-CG1 3.45Å; E17-I25 PolarHBondContact OE2-N 3.33Å; E17-Y31 HydrophobicContact CB-CD2 4.09Å; E17-Y31 HydrophobicContact CB-CE2 4.06Å; E17-Y31 HydrophobicContact CG-CD2 3.79Å; E17-Y31 HydrophobicContact CG-CE2 4.01Å |
| 18 | L | 97 | Very high | 95.8 | Very high | 101 Ų | 101 | 77.6 Ų | 77.6 | 53% | 0.529 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 6 | -178.6 | -63.4 | 179.1 | 0 | 0 | 0 | 114.3 | I14 R15 A16 H20 Y31 | I14-L18 HydrophobicContact CG2-CD1 4.14Å; I14-L18 WeakPolarHBondContact O-CG 3.4Å; I14-L18 PolarHBondContact O-N 2.62Å; I14-L18 VanDerWaalsContact O-N 3.13Å; R15-L18 PolarHBondContact O-N 3.42Å; A16-L18 VanDerWaalsContact C-N 3.3Å; A16-L18 PolarHBondContact O-N 3.13Å; L18-H20 VanDerWaalsContact C-N 3.35Å; L18-H20 PolarHBondContact O-N 2.99Å; L18-Y31 WeakPolarHBondContact CD1-OH 3.3Å; L18-Y31 HydrophobicContact CG-CE2 4.42Å |
| 19 | G | 96.5 | Very high | 95.8 | Very high | 59 Ų | 59 | 76.6 Ų | 76.6 | 61% | 0.608 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -29.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | R15 A16 E17 | R15-G19 PolarHBondContact O-N 3.19Å; R15-G19 VanDerWaalsContact O-N 3.13Å; A16-G19 PolarHBondContact O-N 3.27Å; E17-G19 VanDerWaalsContact C-N 3.26Å; E17-G19 PolarHBondContact O-N 3.1Å |
| 20 | H | 93.4 | Very high | 95.8 | Very high | 115 Ų | 115 | 77.8 Ų | 77.8 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -150.3 | 155.8 | 173.8 | 58.9 | 71.4 | 0 | 0 | 0 | 109.9 | L18 G22 | L18-H20 VanDerWaalsContact C-N 3.35Å; L18-H20 PolarHBondContact O-N 2.99Å; H20-G22 PolarHBondContact O-N 3.46Å |
| 21 | P | 93.3 | Very high | 95.8 | Very high | 135 Ų | 135 | 79 Ų | 79 | 88% | 0.877 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -56.9 | 140.2 | 169.2 | -22.5 | 33.7 | 0 | 0 | 0 | 111.3 | ||
| 22 | G | 90.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 80.1 Ų | 80.1 | 62% | 0.619 | 47% | 0.468 | S | S | * | . | S | Bend | trans | 126.9 | -177.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | H20 | H20-G22 PolarHBondContact O-N 3.46Š|
| 23 | A | 88.3 | Confident | 95.8 | Very high | 75 Ų | 75 | 75.6 Ų | 75.6 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | trans | -117.2 | 119.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | E17 | E17-A23 WeakPolarHBondContact OE1-CA 3.42Š| ||
| 24 | L | 93.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 72.6 Ų | 72.6 | 57% | 0.565 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -93.7 | -45.7 | 172.7 | 168.6 | 75.1 | 0 | 0 | 0 | 110.5 | A16 E17 | A16-L24 HydrophobicContact CB-CD2 3.92Å; E17-L24 PolarHBondContact OE1-N 3.33Å; E17-L24 WeakPolarHBondContact OE2-CA 3.34Å; E17-L24 WeakPolarHBondContact OE2-CB 3.41Å; E17-L24 PolarHBondContact OE2-N 2.94Å |
| 25 | I | 95.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 73.9 Ų | 73.9 | 30% | 0.303 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -74.4 | -40.5 | 175.2 | -70.1 | 162.4 | 0 | 0 | 0 | 110.5 | E17 D27 I30 Y31 I34 | E17-I25 HydrophobicContact CB-CD1 4.15Å; E17-I25 HydrophobicContact CG-CD1 4.16Å; E17-I25 WeakPolarHBondContact OE2-CB 3.13Å; E17-I25 WeakPolarHBondContact OE2-CD1 3.21Å; E17-I25 WeakPolarHBondContact OE2-CG1 3.45Å; E17-I25 PolarHBondContact OE2-N 3.33Å; I25-D27 VanDerWaalsContact C-N 3.27Å; I25-D27 HydrophobicContact CG2-CB 4.26Å; I25-D27 PolarHBondContact O-N 3.17Å; I25-I30 HydrophobicContact CG2-CB 4.01Å; I25-I30 HydrophobicContact CG2-CG2 3.85Å; I25-Y31 HydrophobicContact CD1-CD2 4.25Å; I25-I34 HydrophobicContact CD1-CD1 4.1Å |
| 26 | G | 94.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 65.6 Ų | 65.6 | 64% | 0.639 | 41% | 0.407 | S | S | * | . | trans | 76.9 | 8.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 27 | D | 96.1 | Very high | 96 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | trans | -145.1 | 113.2 | 178.3 | -173.6 | -42.9 | 0 | 0 | 0 | 110.3 | I25 Q29 I30 Y31 | I25-D27 VanDerWaalsContact C-N 3.27Å; I25-D27 HydrophobicContact CG2-CB 4.26Å; I25-D27 PolarHBondContact O-N 3.17Å; D27-Q29 VanDerWaalsContact C-N 3.32Å; D27-Q29 PolarHBondContact O-N 2.83Å; D27-Q29 WeakPolarHBondContact OD1-CA 3.2Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.25Å; D27-Q29 PolarHBondContact OD1-N 3.45Å; D27-I30 HydrophobicContact CB-CB 4.11Å; D27-I30 HydrophobicContact CB-CD1 3.88Å; D27-I30 HydrophobicContact CB-CG1 4Å; D27-I30 PolarHBondContact O-N 2.92Å; D27-I30 PolarHBondContact OD1-N 3.43Å; D27-Y31 PolarHBondContact O-N 3.28Å | ||
| 28 | D | 95.8 | Very high | 96.1 | Very high | 132 Ų | 132 | 64.7 Ų | 64.7 | 71% | 0.706 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.6 | -31.1 | -177.7 | -64.2 | -20.4 | 0 | 0 | 0 | 112.6 | Y31 N32 | D28-Y31 WeakPolarHBondContact O-CB 3.4Å; D28-Y31 PolarHBondContact O-N 2.92Å; D28-N32 VanDerWaalsContact O-CG 3.29Å; D28-N32 PolarHBondContact O-N 3.31Å; D28-N32 PolarHBondContact O-ND2 3.31Å; D28-N32 VanDerWaalsContact O-ND2 3.17Å |
| 29 | Q | 97.5 | Very high | 96.1 | Very high | 47 Ų | 47 | 60.8 Ų | 60.8 | 22% | 0.22 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -70.4 | -43.5 | 178.4 | 175.7 | 62.8 | 9.8 | 0 | 0 | 110.4 | D27 Y31 N32 V33 N97 G98 H115 | D27-Q29 VanDerWaalsContact C-N 3.32Å; D27-Q29 PolarHBondContact O-N 2.83Å; D27-Q29 WeakPolarHBondContact OD1-CA 3.2Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.25Å; D27-Q29 PolarHBondContact OD1-N 3.45Å; Q29-Y31 VanDerWaalsContact C-N 3.25Å; Q29-Y31 PolarHBondContact O-N 3.3Å; Q29-N32 PolarHBondContact O-N 2.66Å; Q29-N32 VanDerWaalsContact O-N 3.12Å; Q29-V33 HydrophobicContact CG-CG2 4.46Å; Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.13Å; Q29-V33 PolarHBondContact O-N 3.4Å; Q29-N97 HydrophobicContact CG-CB 4.24Å; Q29-N97 WeakPolarHBondContact CG-O 3.25Å; Q29-N97 PolarHBondContact NE2-O 2.95Å; Q29-G98 PolarHBondContact NE2-O 2.9Å; Q29-H115 PolarHBondContact NE2-NE2 3.09Å; Q29-H115 VanDerWaalsContact NE2-NE2 3.1Å |
| 30 | I | 97.9 | Very high | 96.2 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 43% | 0.431 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 174.5 | -67.2 | 179 | 0 | 0 | 0 | 110.2 | I25 D27 N32 V33 I34 | I25-I30 HydrophobicContact CG2-CB 4.01Å; I25-I30 HydrophobicContact CG2-CG2 3.85Å; D27-I30 HydrophobicContact CB-CB 4.11Å; D27-I30 HydrophobicContact CB-CD1 3.88Å; D27-I30 HydrophobicContact CB-CG1 4Å; D27-I30 PolarHBondContact O-N 2.92Å; D27-I30 PolarHBondContact OD1-N 3.43Å; I30-N32 PolarHBondContact O-N 3.36Å; I30-V33 PolarHBondContact O-N 3.47Å; I30-I34 HydrophobicContact CG2-CD1 3.9Å; I30-I34 HydrophobicContact CG2-CG1 4.45Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.26Å; I30-I34 PolarHBondContact O-N 3.49Å |
| 31 | Y | 97.9 | Very high | 96.5 | Very high | 52 Ų | 52 | 52.6 Ų | 52.6 | 20% | 0.204 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.4 | -48.2 | 174.1 | 176.9 | -95.3 | 0 | 0 | 0 | 112 | I14 E17 L18 I25 D27 D28 Q29 V33 I34 V35 | I14-Y31 HydrophobicContact CG2-CE2 4.06Å; E17-Y31 HydrophobicContact CB-CD2 4.09Å; E17-Y31 HydrophobicContact CB-CE2 4.06Å; E17-Y31 HydrophobicContact CG-CD2 3.79Å; E17-Y31 HydrophobicContact CG-CE2 4.01Å; L18-Y31 WeakPolarHBondContact CD1-OH 3.3Å; L18-Y31 HydrophobicContact CG-CE2 4.42Å; I25-Y31 HydrophobicContact CD1-CD2 4.25Å; D27-Y31 PolarHBondContact O-N 3.28Å; D28-Y31 WeakPolarHBondContact O-CB 3.4Å; D28-Y31 PolarHBondContact O-N 2.92Å; Q29-Y31 VanDerWaalsContact C-N 3.25Å; Q29-Y31 PolarHBondContact O-N 3.3Å; Y31-V33 VanDerWaalsContact C-N 3.33Å; Y31-V33 PolarHBondContact O-N 2.83Å; Y31-I34 PolarHBondContact O-N 3.23Å; Y31-V35 HydrophobicContact CD1-CG2 4.11Å; Y31-V35 HydrophobicContact CE1-CG2 3.68Å; Y31-V35 HydrophobicContact CE2-CG2 4.23Å; Y31-V35 WeakPolarHBondContact O-CG2 3.44Å; Y31-V35 PolarHBondContact O-N 3.33Å |
| 32 | N | 98.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 48 Ų | 48 | 34% | 0.342 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | 178.8 | -69.9 | -32.7 | 0 | 0 | 0 | 112.9 | D28 Q29 I30 V35 T36 | D28-N32 VanDerWaalsContact O-CG 3.29Å; D28-N32 PolarHBondContact O-N 3.31Å; D28-N32 PolarHBondContact O-ND2 3.31Å; D28-N32 VanDerWaalsContact O-ND2 3.17Å; Q29-N32 PolarHBondContact O-N 2.66Å; Q29-N32 VanDerWaalsContact O-N 3.12Å; I30-N32 PolarHBondContact O-N 3.36Å; N32-V35 PolarHBondContact O-N 3.35Å; N32-T36 VanDerWaalsContact O-CB 3.31Å; N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.18Å; N32-T36 PolarHBondContact O-OG1 3.29Å |
| 33 | V | 98.6 | Very high | 97 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | Q29 I30 Y31 T36 A37 N97 | Q29-V33 HydrophobicContact CG-CG2 4.46Å; Q29-V33 VanDerWaalsContact O-CG2 3.3Å; Q29-V33 WeakPolarHBondContact O-CG2 3.13Å; Q29-V33 PolarHBondContact O-N 3.4Å; I30-V33 PolarHBondContact O-N 3.47Å; Y31-V33 VanDerWaalsContact C-N 3.33Å; Y31-V33 PolarHBondContact O-N 2.83Å; V33-T36 PolarHBondContact O-N 3.22Å; V33-A37 VanDerWaalsContact O-CB 3.29Å; V33-A37 WeakPolarHBondContact O-CB 3.39Å; V33-A37 PolarHBondContact O-N 3Å; V33-N97 VanDerWaalsContact CG2-O 3.31Å; V33-N97 WeakPolarHBondContact CG2-O 3.38Å |
| 34 | I | 98.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 43.5 Ų | 43.5 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 176.2 | -69.2 | 169.3 | 0 | 0 | 0 | 110.6 | L10 L13 I14 I25 I30 Y31 T36 A37 H38 | L10-I34 HydrophobicContact CB-CG2 4Å; L10-I34 HydrophobicContact CD2-CG1 4.34Å; L10-I34 HydrophobicContact CD2-CG2 3.94Å; L13-I34 HydrophobicContact CB-CG2 4.42Å; L13-I34 HydrophobicContact CD1-CD1 4.4Å; I14-I34 HydrophobicContact CD1-CG2 4.1Å; I14-I34 HydrophobicContact CG1-CG2 3.65Å; I25-I34 HydrophobicContact CD1-CD1 4.1Å; I30-I34 HydrophobicContact CG2-CD1 3.9Å; I30-I34 HydrophobicContact CG2-CG1 4.45Å; I30-I34 VanDerWaalsContact O-CG1 3.29Å; I30-I34 WeakPolarHBondContact O-CG1 3.26Å; I30-I34 PolarHBondContact O-N 3.49Å; Y31-I34 PolarHBondContact O-N 3.23Å; I34-T36 PolarHBondContact O-N 3.44Å; I34-A37 PolarHBondContact O-N 3.35Å; I34-H38 VanDerWaalsContact O-CB 3.23Å; I34-H38 WeakPolarHBondContact O-CB 3.39Å; I34-H38 PolarHBondContact O-N 2.87Å |
| 35 | V | 98.6 | Very high | 97.6 | Very high | 45 Ų | 45 | 39 Ų | 39 | 27% | 0.273 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 177.6 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | I14 Y31 N32 H38 A39 | I14-V35 HydrophobicContact CD1-CB 4.39Å; I14-V35 HydrophobicContact CD1-CG2 3.86Å; I14-V35 HydrophobicContact CG1-CG2 3.89Å; I14-V35 HydrophobicContact CG2-CG2 4.36Å; Y31-V35 HydrophobicContact CD1-CG2 4.11Å; Y31-V35 HydrophobicContact CE1-CG2 3.68Å; Y31-V35 HydrophobicContact CE2-CG2 4.23Å; Y31-V35 WeakPolarHBondContact O-CG2 3.44Å; Y31-V35 PolarHBondContact O-N 3.33Å; N32-V35 PolarHBondContact O-N 3.35Å; V35-H38 PolarHBondContact O-N 2.99Å; V35-A39 PolarHBondContact O-N 3.45Å; V35-A39 VanDerWaalsContact O-N 3.11Å |
| 36 | T | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -48.8 | -180 | -56.7 | 0 | 0 | 0 | 0 | 111.3 | N32 V33 I34 H38 A39 F40 A99 G102 | N32-T36 VanDerWaalsContact O-CB 3.31Å; N32-T36 WeakPolarHBondContact O-CB 3.42Å; N32-T36 PolarHBondContact O-N 3.18Å; N32-T36 PolarHBondContact O-OG1 3.29Å; V33-T36 PolarHBondContact O-N 3.22Å; I34-T36 PolarHBondContact O-N 3.44Å; T36-H38 PolarHBondContact O-N 2.73Å; T36-A39 PolarHBondContact O-N 2.94Å; T36-F40 HydrophobicContact CG2-CD2 3.79Å; T36-F40 HydrophobicContact CG2-CE2 3.45Å; T36-F40 VanDerWaalsContact CG2-CE2 3.45Å; T36-F40 HydrophobicContact CG2-CZ 4.38Å; T36-F40 WeakPolarHBondContact O-CD2 3.31Å; T36-F40 PolarHBondContact O-N 2.96Å; T36-F40 VanDerWaalsContact O-N 3.11Å; T36-A99 VanDerWaalsContact CB-O 3.26Å; T36-A99 WeakPolarHBondContact CB-O 3.44Å; T36-A99 WeakPolarHBondContact CG2-O 3.27Å; T36-A99 PolarHBondContact OG1-O 2.85Å; T36-G102 VanDerWaalsContact OG1-CA 3.26Å; T36-G102 WeakPolarHBondContact OG1-CA 3.49Å; T36-G102 PolarHBondContact OG1-N 2.92Å |
| 37 | A | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | L10 V33 I34 A39 F40 I41 | L10-A37 HydrophobicContact CD1-CB 3.88Å; V33-A37 VanDerWaalsContact O-CB 3.29Å; V33-A37 WeakPolarHBondContact O-CB 3.39Å; V33-A37 PolarHBondContact O-N 3Å; I34-A37 PolarHBondContact O-N 3.35Å; A37-A39 PolarHBondContact O-N 3.17Å; A37-F40 PolarHBondContact O-N 3.39Å; A37-I41 VanDerWaalsContact O-CB 3.3Å; A37-I41 WeakPolarHBondContact O-CB 3.39Å; A37-I41 WeakPolarHBondContact O-CG1 3.48Å; A37-I41 PolarHBondContact O-N 3.34Å |
| 38 | H | 98.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 35.6 Ų | 35.6 | 19% | 0.194 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.3 | -52.8 | 175.3 | 169.9 | 67.2 | 0 | 0 | 0 | 111.1 | G7 L10 I14 I34 V35 T36 F40 I41 M42 | G7-H38 PolarHBondContact O-CE1 2.8Å; G7-H38 PolarHBondContact O-ND1 3.43Å; L10-H38 HydrophobicContact CB-CB 3.88Å; L10-H38 HydrophobicContact CD1-CB 4.35Å; I14-H38 HydrophobicContact CD1-CB 3.88Å; I34-H38 VanDerWaalsContact O-CB 3.23Å; I34-H38 WeakPolarHBondContact O-CB 3.39Å; I34-H38 PolarHBondContact O-N 2.87Å; V35-H38 PolarHBondContact O-N 2.99Å; T36-H38 PolarHBondContact O-N 2.73Å; H38-F40 PolarHBondContact O-N 2.65Å; H38-I41 PolarHBondContact O-N 2.93Å; H38-M42 WeakPolarHBondContact CE1-CG 3.32Å; H38-M42 WeakPolarHBondContact O-CB 3.07Å; H38-M42 VanDerWaalsContact O-CG 3.23Å; H38-M42 WeakPolarHBondContact O-CG 3.23Å; H38-M42 PolarHBondContact O-N 3.01Å |
| 39 | A | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 30.8 Ų | 30.8 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V35 T36 A37 I41 M42 I43 W103 | V35-A39 PolarHBondContact O-N 3.45Å; V35-A39 VanDerWaalsContact O-N 3.11Å; T36-A39 PolarHBondContact O-N 2.94Å; A37-A39 PolarHBondContact O-N 3.17Å; A39-I41 PolarHBondContact O-N 2.96Å; A39-M42 PolarHBondContact O-N 3.04Å; A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.38Å; A39-W103 HydrophobicContact CB-CB 3.53Å; A39-W103 HydrophobicContact CB-CG 4.14Å |
| 40 | F | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.009 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 178.4 | -72.9 | -41.3 | 0 | 0 | 0 | 113 | T36 A37 H38 M42 F44 L89 W103 V105 L127 | T36-F40 HydrophobicContact CG2-CD2 3.79Å; T36-F40 HydrophobicContact CG2-CE2 3.45Å; T36-F40 VanDerWaalsContact CG2-CE2 3.45Å; T36-F40 HydrophobicContact CG2-CZ 4.38Å; T36-F40 WeakPolarHBondContact O-CD2 3.31Å; T36-F40 PolarHBondContact O-N 2.96Å; T36-F40 VanDerWaalsContact O-N 3.11Å; A37-F40 PolarHBondContact O-N 3.39Å; H38-F40 PolarHBondContact O-N 2.65Å; F40-M42 PolarHBondContact O-N 2.96Å; F40-F44 AromaticContact CD1-CD2 3.83Å; F40-F44 HydrophobicContact CD1-CD2 3.83Å; F40-F44 AromaticContact CD1-CE2 3.75Å; F40-F44 HydrophobicContact CD1-CE2 3.75Å; F40-F44 HydrophobicContact CE1-CE2 4.18Å; F40-F44 WeakPolarHBondContact O-CB 3.41Å; F40-F44 PolarHBondContact O-N 3.1Å; F40-L89 HydrophobicContact CB-CD1 4.09Å; F40-L89 HydrophobicContact CB-CD2 3.61Å; F40-L89 HydrophobicContact CD2-CD1 3.78Å; F40-L89 HydrophobicContact CG-CD1 4.32Å; F40-W103 HydrophobicContact CD1-CB 4.37Å; F40-W103 HydrophobicContact CE1-CB 4.07Å; F40-W103 WeakPolarHBondContact CE1-O 3.38Å; F40-W103 HydrophobicContact CZ-CB 4.37Å; F40-W103 VanDerWaalsContact CZ-O 3.28Å; F40-W103 WeakPolarHBondContact CZ-O 3.48Å; F40-V105 HydrophobicContact CE2-CG2 4.25Å; F40-V105 HydrophobicContact CZ-CG2 3.55Å; F40-L127 HydrophobicContact CD1-CD2 3.85Å; F40-L127 HydrophobicContact CE1-CD1 3.83Å; F40-L127 HydrophobicContact CE1-CD2 3.93Å; F40-L127 HydrophobicContact CE1-CG 4.43Å; F40-L127 HydrophobicContact CG-CD2 4.45Å; F40-L127 HydrophobicContact CZ-CD1 3.87Å |
| 41 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | I | π-helix | trans | -61.5 | -45.5 | 178.2 | -71.5 | 170.4 | 0 | 0 | 0 | 110.8 | A3 V6 L10 A37 H38 A39 F45 M46 L86 L89 L90 | A3-I41 HydrophobicContact CB-CG2 4.24Å; A3-I41 WeakPolarHBondContact O-CG2 3.3Å; V6-I41 HydrophobicContact CG1-CD1 3.84Å; L10-I41 HydrophobicContact CD1-CD1 3.81Å; A37-I41 VanDerWaalsContact O-CB 3.3Å; A37-I41 WeakPolarHBondContact O-CB 3.39Å; A37-I41 WeakPolarHBondContact O-CG1 3.48Å; A37-I41 PolarHBondContact O-N 3.34Å; H38-I41 PolarHBondContact O-N 2.93Å; A39-I41 PolarHBondContact O-N 2.96Å; I41-F45 CarbonylContact O-C 3.28Å; I41-F45 VanDerWaalsContact O-C 3.28Å; I41-F45 VanDerWaalsContact O-CA 3.32Å; I41-F45 WeakPolarHBondContact O-CA 3.47Å; I41-F45 WeakPolarHBondContact O-CB 3.14Å; I41-F45 PolarHBondContact O-N 3.41Å; I41-M46 PolarHBondContact O-N 2.88Å; I41-L86 HydrophobicContact CG1-CD1 4.21Å; I41-L89 HydrophobicContact CG1-CD2 3.68Å; I41-L90 HydrophobicContact CD1-CD2 4.07Å |
| 42 | M | 98.3 | Very high | 97.3 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 19% | 0.192 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -68.7 | -40.7 | -176.5 | -65.8 | -58.9 | -70.9 | 0 | 0 | 112.3 | H38 A39 F40 M46 I47 | H38-M42 WeakPolarHBondContact CE1-CG 3.32Å; H38-M42 WeakPolarHBondContact O-CB 3.07Å; H38-M42 VanDerWaalsContact O-CG 3.23Å; H38-M42 WeakPolarHBondContact O-CG 3.23Å; H38-M42 PolarHBondContact O-N 3.01Å; A39-M42 PolarHBondContact O-N 3.04Å; F40-M42 PolarHBondContact O-N 2.96Å; M42-M46 HydrophobicContact CE-CE 4.08Å; M42-M46 HydrophobicContact CE-SD 3.26Å; M42-M46 WeakPolarHBondContact CE-SD 3.24Å; M42-M46 WeakPolarHBondContact O-CB 3.42Å; M42-M46 HydrophobicContact SD-SD 3.63Å; M42-M46 VanDerWaalsContact SD-SD 3.63Å; M42-I47 WeakPolarHBondContact O-CG1 3.3Å; M42-I47 PolarHBondContact O-N 3.38Å |
| 43 | I | 96.4 | Very high | 96.9 | Very high | 29 Ų | 29 | 25.8 Ų | 25.8 | 15% | 0.149 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -75.6 | -63.3 | -178.9 | -64.4 | 170.2 | 0 | 0 | 0 | 110.3 | A39 M48 W103 E219 L223 | A39-I43 WeakPolarHBondContact O-CG1 3.45Å; A39-I43 PolarHBondContact O-N 3.38Å; I43-M48 PolarHBondContact O-N 3.4Å; I43-M48 VanDerWaalsContact O-N 3.14Å; I43-W103 HydrophobicContact CD1-CD2 4.47Å; I43-W103 HydrophobicContact CD1-CE3 3.99Å; I43-W103 HydrophobicContact CD1-CZ3 4.1Å; I43-E219 HydrophobicContact CG2-CG 4.49Å; I43-L223 HydrophobicContact CG1-CD1 4.44Å; I43-L223 HydrophobicContact CG2-CD1 4.26Å; I43-L223 HydrophobicContact CG2-CD2 4.36Å |
| 44 | F | 97.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 26.8 Ų | 26.8 | 4% | 0.044 | 16% | 0.159 | C | C | . | . | I | π-helix | trans | -85.6 | -22.8 | -167.4 | -63.4 | -74.4 | 0 | 0 | 0 | 113.9 | F40 M48 P49 L127 F215 | F40-F44 AromaticContact CD1-CD2 3.83Å; F40-F44 HydrophobicContact CD1-CD2 3.83Å; F40-F44 AromaticContact CD1-CE2 3.75Å; F40-F44 HydrophobicContact CD1-CE2 3.75Å; F40-F44 HydrophobicContact CE1-CE2 4.18Å; F40-F44 WeakPolarHBondContact O-CB 3.41Å; F40-F44 PolarHBondContact O-N 3.1Å; F44-M48 HydrophobicContact CD1-CE 3.47Å; F44-M48 VanDerWaalsContact CD1-CE 3.47Å; F44-M48 HydrophobicContact CE1-CE 3.89Å; F44-P49 VanDerWaalsContact O-CD 3.25Å; F44-P49 WeakPolarHBondContact O-CD 3.38Å; F44-P49 VanDerWaalsContact O-CG 3.3Å; F44-P49 WeakPolarHBondContact O-CG 3.42Å; F44-L127 HydrophobicContact CD2-CD2 3.73Å; F44-L127 HydrophobicContact CE2-CD2 3.77Å; F44-L127 HydrophobicContact CG-CD2 4.24Å; F44-L127 HydrophobicContact CZ-CD2 4.3Å; F44-F215 AromaticContact CE1-CZ 3.97Å; F44-F215 HydrophobicContact CE1-CZ 3.97Å; F44-F215 HydrophobicContact CZ-CE1 4.2Å; F44-F215 AromaticContact CZ-CZ 3.89Å; F44-F215 HydrophobicContact CZ-CZ 3.89Å |
| 45 | F | 97.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 6% | 0.061 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -116.9 | -8.1 | -174 | -60.8 | -80.9 | 0 | 0 | 0 | 114.5 | A3 I41 A85 L86 L89 S126 A130 | A3-F45 HydrophobicContact CB-CB 3.89Å; A3-F45 WeakPolarHBondContact CB-O 3.39Å; I41-F45 CarbonylContact O-C 3.28Å; I41-F45 VanDerWaalsContact O-C 3.28Å; I41-F45 VanDerWaalsContact O-CA 3.32Å; I41-F45 WeakPolarHBondContact O-CA 3.47Å; I41-F45 WeakPolarHBondContact O-CB 3.14Å; I41-F45 PolarHBondContact O-N 3.41Å; F45-A85 HydrophobicContact CE1-CB 3.68Å; F45-A85 HydrophobicContact CZ-CB 3.81Å; F45-L86 HydrophobicContact CB-CD1 4.2Å; F45-L86 HydrophobicContact CD1-CB 3.68Å; F45-L86 HydrophobicContact CD1-CD1 4.02Å; F45-L86 HydrophobicContact CD1-CD2 4.35Å; F45-L86 HydrophobicContact CD1-CG 4.23Å; F45-L86 HydrophobicContact CD2-CD1 4.17Å; F45-L86 HydrophobicContact CE1-CB 3.67Å; F45-L86 HydrophobicContact CE1-CD1 4.46Å; F45-L86 VanDerWaalsContact CE1-N 3.31Å; F45-L86 HydrophobicContact CG-CB 4.4Å; F45-L86 HydrophobicContact CG-CD1 3.85Å; F45-L86 HydrophobicContact CZ-CB 4.39Å; F45-L89 HydrophobicContact CD2-CD2 3.89Å; F45-L89 HydrophobicContact CE2-CD2 3.64Å; F45-S126 WeakPolarHBondContact CZ-OG 3.3Å; F45-A130 HydrophobicContact CZ-CB 4.2Å |
| 46 | M | 96.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 27 Ų | 27 | 28% | 0.276 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -116.2 | -69.7 | 173 | 177 | -178.9 | 163.4 | 0 | 0 | 111.9 | I41 M42 I50 | I41-M46 PolarHBondContact O-N 2.88Å; M42-M46 HydrophobicContact CE-CE 4.08Å; M42-M46 HydrophobicContact CE-SD 3.26Å; M42-M46 WeakPolarHBondContact CE-SD 3.24Å; M42-M46 WeakPolarHBondContact O-CB 3.42Å; M42-M46 HydrophobicContact SD-SD 3.63Å; M42-M46 VanDerWaalsContact SD-SD 3.63Å; M46-I50 HydrophobicContact CG-CD1 3.83Å; M46-I50 WeakPolarHBondContact O-CB 3.47Å; M46-I50 WeakPolarHBondContact O-CD1 3.34Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 3.17Å |
| 47 | I | 96.1 | Very high | 96.7 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 29% | 0.292 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -65.9 | -53.3 | -169.3 | -63.8 | 168.1 | 0 | 0 | 0 | 110.3 | M42 I50 M51 L223 | M42-I47 WeakPolarHBondContact O-CG1 3.3Å; M42-I47 PolarHBondContact O-N 3.38Å; I47-I50 PolarHBondContact O-N 3.16Å; I47-M51 HydrophobicContact CG2-CG 3.96Å; I47-M51 WeakPolarHBondContact O-CB 3.5Å; I47-M51 VanDerWaalsContact O-CG 3.23Å; I47-M51 WeakPolarHBondContact O-CG 3.31Å; I47-M51 PolarHBondContact O-N 3.05Å; I47-L223 HydrophobicContact CB-CD2 4.12Å; I47-L223 HydrophobicContact CG2-CB 4.21Å; I47-L223 HydrophobicContact CG2-CD2 3.67Å; I47-L223 HydrophobicContact CG2-CG 4.41Å |
| 48 | M | 95.1 | Very high | 96.6 | Very high | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.049 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58 | -51 | -179.7 | -85.1 | -132.8 | -78.9 | 0 | 0 | 113.2 | I43 F44 I50 M51 I52 G53 L172 E219 I222 L223 | I43-M48 PolarHBondContact O-N 3.4Å; I43-M48 VanDerWaalsContact O-N 3.14Å; F44-M48 HydrophobicContact CD1-CE 3.47Å; F44-M48 VanDerWaalsContact CD1-CE 3.47Å; F44-M48 HydrophobicContact CE1-CE 3.89Å; M48-I50 VanDerWaalsContact C-N 3.31Å; M48-I50 PolarHBondContact O-N 2.96Å; M48-M51 PolarHBondContact O-N 3.42Å; M48-I52 PolarHBondContact O-N 3.28Å; M48-G53 PolarHBondContact O-N 2.97Å; M48-L172 HydrophobicContact SD-CD2 3.87Å; M48-E219 WeakPolarHBondContact CE-OE1 3.29Å; M48-E219 VanDerWaalsContact SD-OE1 3.38Å; M48-I222 HydrophobicContact SD-CG2 3.98Å; M48-L223 HydrophobicContact CG-CD2 3.7Å |
| 49 | P | 95.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 36.1 Ų | 36.1 | 20% | 0.201 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -63.8 | -31 | 178.1 | -27.4 | 37.6 | 0 | 0 | 0 | 114.3 | F44 G53 G54 L82 | F44-P49 VanDerWaalsContact O-CD 3.25Å; F44-P49 WeakPolarHBondContact O-CD 3.38Å; F44-P49 VanDerWaalsContact O-CG 3.3Å; F44-P49 WeakPolarHBondContact O-CG 3.42Å; P49-G53 CarbonylContact O-C 3.24Å; P49-G53 VanDerWaalsContact O-C 3.24Å; P49-G53 WeakPolarHBondContact O-CA 3.4Å; P49-G53 PolarHBondContact O-N 3.39Å; P49-G54 PolarHBondContact O-N 2.98Å; P49-L82 HydrophobicContact CB-CD1 4.02Å; P49-L82 HydrophobicContact CG-CD1 3.91Å |
| 50 | I | 95.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 35.2 Ų | 35.2 | 34% | 0.338 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -73.5 | -51.2 | 177.1 | -71 | 169.6 | 0 | 0 | 0 | 110.6 | M46 I47 M48 G54 F55 | M46-I50 HydrophobicContact CG-CD1 3.83Å; M46-I50 WeakPolarHBondContact O-CB 3.47Å; M46-I50 WeakPolarHBondContact O-CD1 3.34Å; M46-I50 WeakPolarHBondContact O-CG1 3.41Å; M46-I50 PolarHBondContact O-N 3.17Å; I47-I50 PolarHBondContact O-N 3.16Å; M48-I50 VanDerWaalsContact C-N 3.31Å; M48-I50 PolarHBondContact O-N 2.96Å; I50-G54 WeakPolarHBondContact O-CA 3.01Å; I50-G54 PolarHBondContact O-N 2.68Å; I50-F55 HydrophobicContact CG2-CD2 4.08Å; I50-F55 HydrophobicContact CG2-CE2 3.93Å; I50-F55 WeakPolarHBondContact O-CD2 3.42Å; I50-F55 PolarHBondContact O-N 3.46Å |
| 51 | M | 94.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 13% | 0.128 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -73.1 | -48.7 | -170.9 | -62 | -62.1 | -72.5 | 0 | 0 | 111.8 | I47 M48 F55 G56 P226 M230 | I47-M51 HydrophobicContact CG2-CG 3.96Å; I47-M51 WeakPolarHBondContact O-CB 3.5Å; I47-M51 VanDerWaalsContact O-CG 3.23Å; I47-M51 WeakPolarHBondContact O-CG 3.31Å; I47-M51 PolarHBondContact O-N 3.05Å; M48-M51 PolarHBondContact O-N 3.42Å; M51-F55 HydrophobicContact SD-CD2 4.43Å; M51-G56 PolarHBondContact O-N 3.34Å; M51-G56 VanDerWaalsContact O-N 3.09Å; M51-P226 HydrophobicContact CB-CB 4.23Å; M51-P226 HydrophobicContact CB-CG 4.48Å; M51-P226 HydrophobicContact CE-CB 3.69Å; M51-M230 HydrophobicContact CE-CE 3.16Å; M51-M230 HydrophobicContact CE-SD 4.37Å; M51-M230 HydrophobicContact SD-CE 3.66Å |
| 52 | I | 94.2 | Very high | 96.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 8% | 0.077 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -93.5 | -48.7 | -177.7 | -62.6 | -59.7 | 0 | 0 | 0 | 110.7 | M48 G56 N57 F141 V165 T168 P226 | M48-I52 PolarHBondContact O-N 3.28Å; I52-G56 VanDerWaalsContact O-CA 3.27Å; I52-G56 WeakPolarHBondContact O-CA 3.12Å; I52-G56 PolarHBondContact O-N 3.06Å; I52-N57 PolarHBondContact O-N 3.49Å; I52-F141 HydrophobicContact CG2-CD2 4.11Å; I52-F141 HydrophobicContact CG2-CE2 3.49Å; I52-F141 VanDerWaalsContact CG2-CE2 3.49Å; I52-F141 HydrophobicContact CG2-CZ 4.28Å; I52-F141 WeakPolarHBondContact O-CZ 3.27Å; I52-V165 HydrophobicContact CD1-CG1 4.47Å; I52-V165 HydrophobicContact CD1-CG2 4.5Å; I52-T168 HydrophobicContact CD1-CG2 3.58Å; I52-T168 HydrophobicContact CG1-CG2 4.05Å; I52-P226 HydrophobicContact CD1-CB 4.5Å; I52-P226 HydrophobicContact CD1-CG 3.63Å; I52-P226 HydrophobicContact CG1-CG 4.44Å |
| 53 | G | 91.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 35% | 0.351 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -68.6 | -40.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | M48 P49 N57 | M48-G53 PolarHBondContact O-N 2.97Å; P49-G53 CarbonylContact O-C 3.24Å; P49-G53 VanDerWaalsContact O-C 3.24Å; P49-G53 WeakPolarHBondContact O-CA 3.4Å; P49-G53 PolarHBondContact O-N 3.39Å; G53-N57 VanDerWaalsContact O-CB 3.3Å; G53-N57 WeakPolarHBondContact O-CB 3.44Å; G53-N57 PolarHBondContact O-ND2 3.44Å |
| 54 | G | 95.3 | Very high | 96.6 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 36% | 0.361 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -89.4 | -74.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P49 I50 G56 W58 | P49-G54 PolarHBondContact O-N 2.98Å; I50-G54 WeakPolarHBondContact O-CA 3.01Å; I50-G54 PolarHBondContact O-N 2.68Å; G54-G56 PolarHBondContact O-N 3.39Å; G54-W58 VanDerWaalsContact O-CB 3.28Å; G54-W58 WeakPolarHBondContact O-CB 3.5Å; G54-W58 PolarHBondContact O-N 3.36Å; G54-W58 VanDerWaalsContact O-N 3.08Å |
| 55 | F | 97.7 | Very high | 96.6 | Very high | 73 Ų | 73 | 42.3 Ų | 42.3 | 32% | 0.32 | 24% | 0.235 | S | C | . | . | I | π-helix | trans | -62.8 | -43.1 | -177.5 | -72.9 | -65 | 0 | 0 | 0 | 112.4 | I50 M51 W58 L59 F161 M230 | I50-F55 HydrophobicContact CG2-CD2 4.08Å; I50-F55 HydrophobicContact CG2-CE2 3.93Å; I50-F55 WeakPolarHBondContact O-CD2 3.42Å; I50-F55 PolarHBondContact O-N 3.46Å; M51-F55 HydrophobicContact SD-CD2 4.43Å; F55-W58 PolarHBondContact O-N 2.95Å; F55-L59 HydrophobicContact CB-CD1 4.34Å; F55-L59 HydrophobicContact CD1-CD1 3.87Å; F55-L59 VanDerWaalsContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CB 3.25Å; F55-L59 WeakPolarHBondContact O-CG 3.28Å; F55-L59 PolarHBondContact O-N 3.09Å; F55-F161 HydrophobicContact CB-CE2 4.49Å; F55-F161 HydrophobicContact CB-CZ 3.84Å; F55-M230 HydrophobicContact CB-SD 4.4Å; F55-M230 HydrophobicContact CD1-SD 4.3Å; F55-M230 HydrophobicContact CD2-SD 3.8Å; F55-M230 HydrophobicContact CE2-SD 4.05Å; F55-M230 HydrophobicContact CG-SD 3.93Å; F55-M230 HydrophobicContact CZ-SD 4.41Å |
| 56 | G | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -56.4 | -59 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | M51 I52 G54 W58 V60 F141 | M51-G56 PolarHBondContact O-N 3.34Å; M51-G56 VanDerWaalsContact O-N 3.09Å; I52-G56 VanDerWaalsContact O-CA 3.27Å; I52-G56 WeakPolarHBondContact O-CA 3.12Å; I52-G56 PolarHBondContact O-N 3.06Å; G54-G56 PolarHBondContact O-N 3.39Å; G56-W58 VanDerWaalsContact C-N 3.25Å; G56-W58 PolarHBondContact O-N 3.17Å; G56-V60 WeakPolarHBondContact O-CB 3.27Å; G56-V60 VanDerWaalsContact O-CG2 3.24Å; G56-V60 WeakPolarHBondContact O-CG2 3.24Å; G56-V60 PolarHBondContact O-N 3.12Å; G56-F141 VanDerWaalsContact C-CE1 3.4Å |
| 57 | N | 97.6 | Very high | 96.5 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.9 | -30.4 | -177.1 | -77.1 | -53.6 | 0 | 0 | 0 | 113.6 | I52 G53 P61 N75 F141 | I52-N57 PolarHBondContact O-N 3.49Å; G53-N57 VanDerWaalsContact O-CB 3.3Å; G53-N57 WeakPolarHBondContact O-CB 3.44Å; G53-N57 PolarHBondContact O-ND2 3.44Å; N57-P61 WeakPolarHBondContact O-CD 3.28Å; N57-N75 VanDerWaalsContact CG-ND2 3.33Å; N57-N75 VanDerWaalsContact OD1-CG 3.24Å; N57-N75 PolarHBondContact OD1-ND2 3.08Å; N57-N75 PolarHBondContact OD1-OD1 3.17Å; N57-F141 HydrophobicContact CB-CZ 4.43Å; N57-F141 WeakPolarHBondContact OD1-CZ 3.48Å |
| 58 | W | 97.7 | Very high | 96.5 | Very high | 169 Ų | 169 | 46.5 Ų | 46.5 | 64% | 0.64 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -80.3 | -51.2 | 179.4 | -177.7 | 26.8 | 0 | 0 | 0 | 112.4 | G54 F55 G56 L62 | G54-W58 VanDerWaalsContact O-CB 3.28Å; G54-W58 WeakPolarHBondContact O-CB 3.5Å; G54-W58 PolarHBondContact O-N 3.36Å; G54-W58 VanDerWaalsContact O-N 3.08Å; F55-W58 PolarHBondContact O-N 2.95Å; G56-W58 VanDerWaalsContact C-N 3.25Å; G56-W58 PolarHBondContact O-N 3.17Å; W58-L62 WeakPolarHBondContact O-CD1 3.33Å; W58-L62 WeakPolarHBondContact O-CG 3.13Å |
| 59 | L | 98.3 | Very high | 96.6 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -86.8 | -31.1 | -168.9 | -61 | 177.4 | 0 | 0 | 0 | 113.1 | F55 L62 M63 F161 | F55-L59 HydrophobicContact CB-CD1 4.34Å; F55-L59 HydrophobicContact CD1-CD1 3.87Å; F55-L59 VanDerWaalsContact O-CB 3.27Å; F55-L59 WeakPolarHBondContact O-CB 3.25Å; F55-L59 WeakPolarHBondContact O-CG 3.28Å; F55-L59 PolarHBondContact O-N 3.09Å; L59-L62 PolarHBondContact O-N 3.29Å; L59-M63 HydrophobicContact CB-CE 4.23Å; L59-M63 HydrophobicContact CB-SD 4.47Å; L59-M63 HydrophobicContact CD1-CE 4.38Å; L59-M63 VanDerWaalsContact O-CB 3.27Å; L59-M63 WeakPolarHBondContact O-CB 3.38Å; L59-M63 VanDerWaalsContact O-CG 3.25Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.93Å; L59-F161 HydrophobicContact CB-CD1 4.22Å; L59-F161 HydrophobicContact CB-CE1 3.81Å; L59-F161 HydrophobicContact CD1-CE1 4.15Å; L59-F161 HydrophobicContact CD1-CZ 4.47Å |
| 60 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.7 | -50.5 | -175.8 | 171.2 | 0 | 0 | 0 | 0 | 112.2 | G56 L62 M63 L64 F141 V145 F161 V162 V165 | G56-V60 WeakPolarHBondContact O-CB 3.27Å; G56-V60 VanDerWaalsContact O-CG2 3.24Å; G56-V60 WeakPolarHBondContact O-CG2 3.24Å; G56-V60 PolarHBondContact O-N 3.12Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 3.08Å; V60-M63 PolarHBondContact O-N 3.41Å; V60-L64 HydrophobicContact CG1-CD1 3.89Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.38Å; V60-L64 PolarHBondContact O-N 3.24Å; V60-L64 VanDerWaalsContact O-N 3.08Å; V60-F141 HydrophobicContact CB-CD1 4.47Å; V60-F141 HydrophobicContact CB-CE1 4.31Å; V60-F141 HydrophobicContact CG1-CD1 4.42Å; V60-F141 HydrophobicContact CG2-CD1 4.35Å; V60-F141 HydrophobicContact CG2-CE1 4.2Å; V60-V145 HydrophobicContact CG1-CG2 3.89Å; V60-F161 HydrophobicContact CG2-CE1 4.12Å; V60-V162 HydrophobicContact CG1-CG1 4.37Å; V60-V165 HydrophobicContact CG2-CB 4.09Å; V60-V165 HydrophobicContact CG2-CG1 3.97Å; V60-V165 HydrophobicContact CG2-CG2 4.09Å |
| 61 | P | 97.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 176.9 | -25.8 | 36 | 0 | 0 | 0 | 112.4 | N57 M63 L64 G65 A66 M69 | N57-P61 WeakPolarHBondContact O-CD 3.28Å; P61-M63 PolarHBondContact O-N 3.13Å; P61-L64 PolarHBondContact O-N 3.08Å; P61-G65 PolarHBondContact O-N 3.41Å; P61-A66 HydrophobicContact CB-CB 4.22Å; P61-A66 PolarHBondContact O-N 2.95Å; P61-M69 HydrophobicContact CG-CG 3.95Å; P61-M69 HydrophobicContact CG-SD 3.42Å; P61-M69 WeakPolarHBondContact CG-SD 3.49Å |
| 62 | L | 97.9 | Very high | 97 | Very high | 112 Ų | 112 | 48.4 Ų | 48.4 | 59% | 0.586 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | -179.9 | -64.6 | 177.8 | 0 | 0 | 0 | 111.9 | W58 L59 V60 L64 G65 | W58-L62 WeakPolarHBondContact O-CD1 3.33Å; W58-L62 WeakPolarHBondContact O-CG 3.13Å; L59-L62 PolarHBondContact O-N 3.29Å; V60-L62 VanDerWaalsContact C-N 3.32Å; V60-L62 PolarHBondContact O-N 3.08Å; L62-L64 VanDerWaalsContact C-N 3.25Å; L62-L64 PolarHBondContact O-N 3.14Å; L62-G65 PolarHBondContact O-N 2.98Å |
| 63 | M | 97.6 | Very high | 97.2 | Very high | 56 Ų | 56 | 58.7 Ų | 58.7 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.7 | -22.7 | 179.2 | -75.9 | -174.9 | 179.6 | 0 | 0 | 113.3 | L59 V60 P61 P159 F161 V162 | L59-M63 HydrophobicContact CB-CE 4.23Å; L59-M63 HydrophobicContact CB-SD 4.47Å; L59-M63 HydrophobicContact CD1-CE 4.38Å; L59-M63 VanDerWaalsContact O-CB 3.27Å; L59-M63 WeakPolarHBondContact O-CB 3.38Å; L59-M63 VanDerWaalsContact O-CG 3.25Å; L59-M63 WeakPolarHBondContact O-CG 3.49Å; L59-M63 PolarHBondContact O-N 2.93Å; V60-M63 PolarHBondContact O-N 3.41Å; P61-M63 PolarHBondContact O-N 3.13Å; M63-P159 HydrophobicContact CB-CG 4.18Å; M63-P159 HydrophobicContact SD-CB 4.08Å; M63-P159 HydrophobicContact SD-CG 4.48Å; M63-F161 HydrophobicContact CE-CB 4.45Å; M63-F161 HydrophobicContact CE-CD1 4.28Å; M63-F161 HydrophobicContact SD-CB 4.13Å; M63-F161 HydrophobicContact SD-CD1 3.85Å; M63-F161 HydrophobicContact SD-CG 4.43Å; M63-V162 HydrophobicContact CB-CG2 3.66Å; M63-V162 HydrophobicContact CG-CG2 4.47Å; M63-V162 HydrophobicContact SD-CG2 4.02Å |
| 64 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -91.7 | -11.5 | 175.5 | -67.6 | -179.3 | 0 | 0 | 0 | 113.4 | V60 P61 L62 A66 V145 R149 S150 M158 V162 | V60-L64 HydrophobicContact CG1-CD1 3.89Å; V60-L64 HydrophobicContact CG1-CG 4.46Å; V60-L64 VanDerWaalsContact O-CG 3.31Å; V60-L64 WeakPolarHBondContact O-CG 3.38Å; V60-L64 PolarHBondContact O-N 3.24Å; V60-L64 VanDerWaalsContact O-N 3.08Å; P61-L64 PolarHBondContact O-N 3.08Å; L62-L64 VanDerWaalsContact C-N 3.25Å; L62-L64 PolarHBondContact O-N 3.14Å; L64-A66 VanDerWaalsContact C-N 3.27Å; L64-A66 HydrophobicContact CB-CB 4.43Å; L64-V145 HydrophobicContact CD1-CB 4.41Å; L64-V145 HydrophobicContact CD1-CG2 4.09Å; L64-R149 HydrophobicContact CD1-CG 4.41Å; L64-R149 HydrophobicContact CD2-CG 3.86Å; L64-S150 WeakPolarHBondContact O-CB 3.31Å; L64-S150 PolarHBondContact O-N 3.42Å; L64-S150 PolarHBondContact O-OG 3.46Å; L64-M158 HydrophobicContact CD2-CG 4.41Å; L64-M158 HydrophobicContact CD2-SD 4.25Å; L64-V162 HydrophobicContact CD1-CG1 4.32Å; L64-V162 HydrophobicContact CD2-CG1 3.9Å; L64-V162 HydrophobicContact CD2-CG2 4.4Å; L64-V162 HydrophobicContact CG-CG1 4.24Å; L64-V162 HydrophobicContact CG-CG2 4.48Å |
| 65 | G | 97.1 | Very high | 97.6 | Very high | 52 Ų | 52 | 59.4 Ų | 59.4 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.5 | 24.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113 | P61 L62 | P61-G65 PolarHBondContact O-N 3.41Å; L62-G65 PolarHBondContact O-N 2.98Å |
| 66 | A | 97.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | trans | -84.4 | 142.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P61 L64 D68 M148 | P61-A66 HydrophobicContact CB-CB 4.22Å; P61-A66 PolarHBondContact O-N 2.95Å; L64-A66 VanDerWaalsContact C-N 3.27Å; L64-A66 HydrophobicContact CB-CB 4.43Å; A66-D68 VanDerWaalsContact C-N 3.32Å; A66-D68 PolarHBondContact O-N 2.87Å; A66-M148 HydrophobicContact CB-CB 3.97Å; A66-M148 HydrophobicContact CB-CE 4.39Å | ||
| 67 | P | 95.6 | Very high | 97.6 | Very high | 129 Ų | 129 | 65.1 Ų | 65.1 | 84% | 0.838 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -69.2 | -30 | 178.7 | 27.1 | -34.3 | 0 | 0 | 0 | 113.2 | M148 | P67-M148 HydrophobicContact CG-CE 4.42Š|
| 68 | D | 96.4 | Very high | 97.6 | Very high | 77 Ų | 77 | 63.8 Ų | 63.8 | 41% | 0.412 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -161.7 | 179.7 | 177.7 | -162.4 | -1.5 | 0 | 0 | 0 | 108.6 | A66 P72 M148 | A66-D68 VanDerWaalsContact C-N 3.32Å; A66-D68 PolarHBondContact O-N 2.87Å; D68-P72 HydrophobicContact CB-CG 4.46Å; D68-P72 WeakPolarHBondContact OD2-CB 3.38Å; D68-P72 WeakPolarHBondContact OD2-CG 3.41Å; D68-M148 WeakPolarHBondContact O-CE 3.39Å |
| 69 | M | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.02 | 33% | 0.325 | C | S | . | . | trans | -67 | 156.9 | 167.8 | -61.9 | -67 | -71.3 | 0 | 0 | 111.9 | P61 F71 P72 N140 F141 T144 | P61-M69 HydrophobicContact CG-CG 3.95Å; P61-M69 HydrophobicContact CG-SD 3.42Å; P61-M69 WeakPolarHBondContact CG-SD 3.49Å; M69-F71 VanDerWaalsContact C-N 3.33Å; M69-F71 PolarHBondContact O-N 3.34Å; M69-P72 VanDerWaalsContact O-CD 3.32Å; M69-P72 WeakPolarHBondContact O-CD 3.32Å; M69-P72 WeakPolarHBondContact O-CG 3.43Å; M69-N140 WeakPolarHBondContact CB-ND2 3.42Å; M69-N140 HydrophobicContact CE-CB 4.39Å; M69-N140 WeakPolarHBondContact CE-ND2 3.34Å; M69-F141 HydrophobicContact CE-CD1 3.44Å; M69-F141 VanDerWaalsContact CE-CD1 3.44Å; M69-F141 HydrophobicContact CE-CE1 3.52Å; M69-F141 HydrophobicContact CE-CG 4.02Å; M69-F141 HydrophobicContact CE-CZ 4.18Å; M69-F141 HydrophobicContact SD-CD1 4.45Å; M69-F141 HydrophobicContact SD-CE1 4.22Å; M69-T144 HydrophobicContact CE-CG2 4.5Å; M69-T144 HydrophobicContact SD-CG2 4Å | ||
| 70 | A | 98 | Very high | 97.6 | Very high | 29 Ų | 29 | 66.7 Ų | 66.7 | 24% | 0.24 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -62.1 | -36.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N140 T143 T144 M148 | A70-N140 PolarHBondContact N-OD1 3.34Å; A70-T143 HydrophobicContact CB-CG2 3.72Å; A70-T144 WeakPolarHBondContact CB-OG1 3.32Å; A70-T144 PolarHBondContact N-OG1 3.33Å; A70-M148 WeakPolarHBondContact CA-SD 3.34Å; A70-M148 HydrophobicContact CB-SD 3.64Å; A70-M148 PolarHBondContact N-SD 2.81Å |
| 71 | F | 98.3 | Very high | 97.6 | Very high | 81 Ų | 81 | 68 Ų | 68 | 36% | 0.355 | 35% | 0.349 | S | S | . | . | trans | -124.2 | 75.9 | 179.4 | -53.1 | -55.8 | 0 | 0 | 0 | 111.6 | M69 R73 M74 N75 V139 N140 T143 | M69-F71 VanDerWaalsContact C-N 3.33Å; M69-F71 PolarHBondContact O-N 3.34Å; F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.9Å; F71-M74 HydrophobicContact CB-CB 3.67Å; F71-M74 HydrophobicContact CB-CE 4.46Å; F71-M74 HydrophobicContact CB-SD 4.33Å; F71-M74 HydrophobicContact CD2-CE 4.19Å; F71-M74 HydrophobicContact CD2-SD 4.13Å; F71-M74 HydrophobicContact CG-CE 4.35Å; F71-M74 WeakPolarHBondContact O-CB 3.42Å; F71-M74 PolarHBondContact O-N 3.04Å; F71-M74 VanDerWaalsContact O-N 3.12Å; F71-N75 PolarHBondContact O-N 2.95Å; F71-V139 HydrophobicContact CE2-CG1 4.29Å; F71-N140 HydrophobicContact CD2-CB 4.35Å; F71-N140 PolarHBondContact N-OD1 3.05Å; F71-T143 HydrophobicContact CE2-CG2 3.69Å; F71-T143 WeakPolarHBondContact CE2-OG1 3.37Å; F71-T143 HydrophobicContact CZ-CG2 3.73Å | ||
| 72 | P | 97.5 | Very high | 97.6 | Very high | 60 Ų | 60 | 68.7 Ų | 68.7 | 39% | 0.39 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -36.6 | -173.3 | -26.4 | 36 | 0 | 0 | 0 | 114 | D68 M69 N75 N76 | D68-P72 HydrophobicContact CB-CG 4.46Å; D68-P72 WeakPolarHBondContact OD2-CB 3.38Å; D68-P72 WeakPolarHBondContact OD2-CG 3.41Å; M69-P72 VanDerWaalsContact O-CD 3.32Å; M69-P72 WeakPolarHBondContact O-CD 3.32Å; M69-P72 WeakPolarHBondContact O-CG 3.43Å; P72-N75 VanDerWaalsContact O-CB 3.3Å; P72-N75 WeakPolarHBondContact O-CB 3.36Å; P72-N75 PolarHBondContact O-N 3.47Å; P72-N76 PolarHBondContact O-N 3.17Å |
| 73 | R | 98.1 | Very high | 97.6 | Very high | 231 Ų | 231 | 66 Ų | 66 | 87% | 0.872 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -70.4 | -39.7 | 177.7 | -64.9 | -176.7 | -175 | 175.5 | 1.8 | 112.6 | F71 N75 N76 M77 | F71-R73 VanDerWaalsContact C-N 3.3Å; F71-R73 PolarHBondContact O-N 2.9Å; R73-N75 VanDerWaalsContact C-N 3.25Å; R73-N75 PolarHBondContact O-N 3.4Å; R73-N76 PolarHBondContact O-N 3.26Å; R73-M77 PolarHBondContact O-N 3.27Å |
| 74 | M | 97.2 | Very high | 97.7 | Very high | 58 Ų | 58 | 66 Ų | 66 | 29% | 0.286 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 173.6 | -174.7 | -173.9 | -66.9 | 0 | 0 | 110.3 | F71 M77 S78 L136 V139 | F71-M74 HydrophobicContact CB-CB 3.67Å; F71-M74 HydrophobicContact CB-CE 4.46Å; F71-M74 HydrophobicContact CB-SD 4.33Å; F71-M74 HydrophobicContact CD2-CE 4.19Å; F71-M74 HydrophobicContact CD2-SD 4.13Å; F71-M74 HydrophobicContact CG-CE 4.35Å; F71-M74 WeakPolarHBondContact O-CB 3.42Å; F71-M74 PolarHBondContact O-N 3.04Å; F71-M74 VanDerWaalsContact O-N 3.12Å; M74-M77 WeakPolarHBondContact O-CB 3.36Å; M74-M77 PolarHBondContact O-N 2.91Å; M74-S78 PolarHBondContact O-N 3.3Å; M74-L136 HydrophobicContact CG-CB 3.91Å; M74-L136 HydrophobicContact CG-CD1 4.5Å; M74-L136 HydrophobicContact CG-CD2 3.89Å; M74-L136 HydrophobicContact CG-CG 4.3Å; M74-L136 HydrophobicContact SD-CB 4.34Å; M74-L136 HydrophobicContact SD-CD2 4Å; M74-V139 HydrophobicContact SD-CG1 4.45Å |
| 75 | N | 97.8 | Very high | 97.7 | Very high | 25 Ų | 25 | 66 Ų | 66 | 13% | 0.134 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.1 | -149.4 | 39.6 | 0 | 0 | 0 | 113.1 | N57 F71 P72 R73 M77 S78 F79 N140 | N57-N75 VanDerWaalsContact CG-ND2 3.33Å; N57-N75 VanDerWaalsContact OD1-CG 3.24Å; N57-N75 PolarHBondContact OD1-ND2 3.08Å; N57-N75 PolarHBondContact OD1-OD1 3.17Å; F71-N75 PolarHBondContact O-N 2.95Å; P72-N75 VanDerWaalsContact O-CB 3.3Å; P72-N75 WeakPolarHBondContact O-CB 3.36Å; P72-N75 PolarHBondContact O-N 3.47Å; R73-N75 VanDerWaalsContact C-N 3.25Å; R73-N75 PolarHBondContact O-N 3.4Å; N75-M77 VanDerWaalsContact C-N 3.32Å; N75-S78 PolarHBondContact O-N 3.36Å; N75-S78 PolarHBondContact O-OG 3.14Å; N75-F79 PolarHBondContact O-N 3.38Å; N75-N140 VanDerWaalsContact CB-ND2 3.32Å; N75-N140 WeakPolarHBondContact CB-ND2 3.41Å; N75-N140 VanDerWaalsContact CG-ND2 3.27Å; N75-N140 PolarHBondContact OD1-ND2 3.18Å; N75-N140 VanDerWaalsContact OD1-ND2 3.13Å |
| 76 | N | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.3 | -172.3 | 48.5 | 0 | 0 | 0 | 110.8 | P72 R73 S78 F79 W80 | P72-N76 PolarHBondContact O-N 3.17Å; R73-N76 PolarHBondContact O-N 3.26Å; N76-S78 PolarHBondContact O-N 2.97Å; N76-F79 PolarHBondContact O-N 3.39Å; N76-W80 PolarHBondContact O-N 3.2Å; N76-W80 VanDerWaalsContact OD1-CD1 3.25Å; N76-W80 PolarHBondContact OD1-NE1 3.38Å |
| 77 | M | 97.5 | Very high | 97.8 | Very high | 102 Ų | 102 | 67.2 Ų | 67.2 | 50% | 0.502 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 176 | -176 | 176.1 | 178.2 | 0 | 0 | 112.3 | R73 M74 N75 F79 W80 L81 L136 | R73-M77 PolarHBondContact O-N 3.27Å; M74-M77 WeakPolarHBondContact O-CB 3.36Å; M74-M77 PolarHBondContact O-N 2.91Å; N75-M77 VanDerWaalsContact C-N 3.32Å; M77-F79 VanDerWaalsContact C-N 3.31Å; M77-F79 PolarHBondContact O-N 3.02Å; M77-W80 PolarHBondContact O-N 2.91Å; M77-L81 HydrophobicContact CE-CD1 4.39Å; M77-L81 HydrophobicContact CG-CD1 4.35Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.33Å; M77-L81 VanDerWaalsContact O-N 3.13Å; M77-L136 HydrophobicContact CE-CD1 4.39Å; M77-L136 HydrophobicContact CG-CD1 4.09Å; M77-L136 HydrophobicContact SD-CD1 4.06Å |
| 78 | S | 97.5 | Very high | 98 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 177.5 | 67.8 | 0 | 0 | 0 | 0 | 111 | M74 N75 N76 L81 S133 | M74-S78 PolarHBondContact O-N 3.3Å; N75-S78 PolarHBondContact O-N 3.36Å; N75-S78 PolarHBondContact O-OG 3.14Å; N76-S78 PolarHBondContact O-N 2.97Å; S78-L81 PolarHBondContact O-N 3.15Å; S78-S133 VanDerWaalsContact C-OG 3.3Å; S78-S133 VanDerWaalsContact CB-O 3.24Å; S78-S133 WeakPolarHBondContact CB-O 3.34Å; S78-S133 VanDerWaalsContact O-CB 3.26Å; S78-S133 WeakPolarHBondContact O-CB 3.32Å; S78-S133 PolarHBondContact O-OG 3.48Å |
| 79 | F | 97.8 | Very high | 98.1 | Very high | 115 Ų | 115 | 59.8 Ų | 59.8 | 50% | 0.504 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 173.3 | 172 | -100.1 | 0 | 0 | 0 | 112.7 | N75 N76 M77 L81 L82 P83 | N75-F79 PolarHBondContact O-N 3.38Å; N76-F79 PolarHBondContact O-N 3.39Å; M77-F79 VanDerWaalsContact C-N 3.31Å; M77-F79 PolarHBondContact O-N 3.02Å; F79-L81 PolarHBondContact O-N 2.75Å; F79-L81 VanDerWaalsContact O-N 3.17Å; F79-L82 WeakPolarHBondContact O-CB 3.37Å; F79-L82 PolarHBondContact O-N 3.03Å; F79-P83 WeakPolarHBondContact O-CD 3.23Å |
| 80 | W | 98.3 | Very high | 98.1 | Very high | 153 Ų | 153 | 61.3 Ų | 61.3 | 58% | 0.58 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -69 | -13.3 | -174 | -78.6 | 111 | 0 | 0 | 0 | 115 | N76 M77 P83 P84 | N76-W80 PolarHBondContact O-N 3.2Å; N76-W80 VanDerWaalsContact OD1-CD1 3.25Å; N76-W80 PolarHBondContact OD1-NE1 3.38Å; M77-W80 PolarHBondContact O-N 2.91Å; W80-P83 HydrophobicContact CE3-CG 4.45Å; W80-P84 WeakPolarHBondContact O-CD 3.14Å |
| 81 | L | 98.4 | Very high | 98.1 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 14% | 0.141 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -77.4 | -21.7 | 170.6 | -70.3 | 170.6 | 0 | 0 | 0 | 113 | M77 S78 F79 P84 A85 L129 I132 L136 | M77-L81 HydrophobicContact CE-CD1 4.39Å; M77-L81 HydrophobicContact CG-CD1 4.35Å; M77-L81 WeakPolarHBondContact O-CG 3.43Å; M77-L81 PolarHBondContact O-N 3.33Å; M77-L81 VanDerWaalsContact O-N 3.13Å; S78-L81 PolarHBondContact O-N 3.15Å; F79-L81 PolarHBondContact O-N 2.75Å; F79-L81 VanDerWaalsContact O-N 3.17Å; L81-P84 WeakPolarHBondContact O-CD 3.28Å; L81-P84 WeakPolarHBondContact O-CG 3.19Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.36Å; L81-A85 PolarHBondContact O-N 3.5Å; L81-L129 HydrophobicContact CD2-CD2 4.26Å; L81-I132 HydrophobicContact CD1-CB 4.12Å; L81-I132 HydrophobicContact CD1-CG2 3.55Å; L81-L136 HydrophobicContact CD1-CD1 4.06Å |
| 82 | L | 98.1 | Very high | 98.1 | Very high | 25 Ų | 25 | 59 Ų | 59 | 13% | 0.131 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -71 | -42.7 | -177.9 | -62.3 | 174.2 | 0 | 0 | 0 | 113.7 | P49 F79 A85 L86 | P49-L82 HydrophobicContact CB-CD1 4.02Å; P49-L82 HydrophobicContact CG-CD1 3.91Å; F79-L82 WeakPolarHBondContact O-CB 3.37Å; F79-L82 PolarHBondContact O-N 3.03Å; L82-A85 WeakPolarHBondContact O-CB 3.42Å; L82-A85 PolarHBondContact O-N 2.99Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.47Å |
| 83 | P | 98.2 | Very high | 98.1 | Very high | 54 Ų | 54 | 58.1 Ų | 58.1 | 35% | 0.351 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.6 | -50.8 | 175.3 | -24.6 | 33.1 | 0 | 0 | 0 | 114.7 | F79 W80 A85 L86 S87 | F79-P83 WeakPolarHBondContact O-CD 3.23Å; W80-P83 HydrophobicContact CE3-CG 4.45Å; P83-A85 VanDerWaalsContact C-N 3.32Å; P83-A85 PolarHBondContact O-N 3.45Å; P83-L86 PolarHBondContact O-N 2.88Å; P83-S87 PolarHBondContact O-N 3.44Å; P83-S87 PolarHBondContact O-OG 3.37Å; P83-S87 VanDerWaalsContact O-OG 3.13Å |
| 84 | P | 98.5 | Very high | 98 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.9 | -35.1 | 176.9 | 25.1 | -32.3 | 0 | 0 | 0 | 112.1 | W80 L81 L86 S87 L88 L129 | W80-P84 WeakPolarHBondContact O-CD 3.14Å; L81-P84 WeakPolarHBondContact O-CD 3.28Å; L81-P84 WeakPolarHBondContact O-CG 3.19Å; P84-L86 PolarHBondContact O-N 3.06Å; P84-S87 PolarHBondContact O-N 3.01Å; P84-L88 WeakPolarHBondContact O-CG 3.3Å; P84-L88 PolarHBondContact O-N 2.9Å; P84-L129 HydrophobicContact CB-CD1 4.19Å; P84-L129 HydrophobicContact CG-CD1 4.34Å |
| 85 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F45 L81 L82 P83 L88 L89 S126 L129 A130 | F45-A85 HydrophobicContact CE1-CB 3.68Å; F45-A85 HydrophobicContact CZ-CB 3.81Å; L81-A85 VanDerWaalsContact O-CB 3.24Å; L81-A85 WeakPolarHBondContact O-CB 3.36Å; L81-A85 PolarHBondContact O-N 3.5Å; L82-A85 WeakPolarHBondContact O-CB 3.42Å; L82-A85 PolarHBondContact O-N 2.99Å; P83-A85 VanDerWaalsContact C-N 3.32Å; P83-A85 PolarHBondContact O-N 3.45Å; A85-L88 PolarHBondContact O-N 3.29Å; A85-L89 PolarHBondContact O-N 2.94Å; A85-L89 VanDerWaalsContact O-N 3.1Å; A85-S126 VanDerWaalsContact O-CB 3.26Å; A85-S126 WeakPolarHBondContact O-CB 3.43Å; A85-S126 PolarHBondContact O-OG 2.84Å; A85-L129 HydrophobicContact CB-CB 3.63Å; A85-L129 HydrophobicContact CB-CD1 4.46Å; A85-A130 HydrophobicContact CB-CB 4.37Å |
| 86 | L | 98.5 | Very high | 97.8 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | 178.8 | -176.8 | 51.4 | 0 | 0 | 0 | 111.7 | W2 A3 I41 F45 L82 P83 P84 L88 L89 L90 | W2-L86 HydrophobicContact CE3-CD2 3.68Å; W2-L86 HydrophobicContact CZ3-CD2 3.4Å; W2-L86 VanDerWaalsContact CZ3-CD2 3.4Å; W2-L86 HydrophobicContact CZ3-CG 3.96Å; A3-L86 HydrophobicContact CB-CD2 3.72Å; I41-L86 HydrophobicContact CG1-CD1 4.21Å; F45-L86 HydrophobicContact CB-CD1 4.2Å; F45-L86 HydrophobicContact CD1-CB 3.68Å; F45-L86 HydrophobicContact CD1-CD1 4.02Å; F45-L86 HydrophobicContact CD1-CD2 4.35Å; F45-L86 HydrophobicContact CD1-CG 4.23Å; F45-L86 HydrophobicContact CD2-CD1 4.17Å; F45-L86 HydrophobicContact CE1-CB 3.67Å; F45-L86 HydrophobicContact CE1-CD1 4.46Å; F45-L86 VanDerWaalsContact CE1-N 3.31Å; F45-L86 HydrophobicContact CG-CB 4.4Å; F45-L86 HydrophobicContact CG-CD1 3.85Å; F45-L86 HydrophobicContact CZ-CB 4.39Å; L82-L86 WeakPolarHBondContact O-CB 3.42Å; L82-L86 PolarHBondContact O-N 3.47Å; P83-L86 PolarHBondContact O-N 2.88Å; P84-L86 PolarHBondContact O-N 3.06Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.26Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 2.84Å; L86-L90 HydrophobicContact CD1-CD1 4.39Å; L86-L90 HydrophobicContact CD1-CG 4.25Å; L86-L90 HydrophobicContact CG-CD1 4.26Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 3.46Å |
| 87 | S | 98.4 | Very high | 97.7 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 48% | 0.483 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 111.8 | P83 P84 L89 L90 V91 | P83-S87 PolarHBondContact O-N 3.44Å; P83-S87 PolarHBondContact O-OG 3.37Å; P83-S87 VanDerWaalsContact O-OG 3.13Å; P84-S87 PolarHBondContact O-N 3.01Å; S87-L89 VanDerWaalsContact C-N 3.32Å; S87-L89 PolarHBondContact O-N 3.39Å; S87-L90 PolarHBondContact O-N 2.93Å; S87-V91 WeakPolarHBondContact O-CB 3.26Å; S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 3.04Å; S87-V91 PolarHBondContact O-N 3.29Å |
| 88 | L | 98.8 | Very high | 97.7 | Very high | 45 Ų | 45 | 54.5 Ų | 54.5 | 24% | 0.236 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 175.7 | -72 | 170.8 | 0 | 0 | 0 | 112.2 | P84 A85 L86 V91 S92 L122 F125 L129 | P84-L88 WeakPolarHBondContact O-CG 3.3Å; P84-L88 PolarHBondContact O-N 2.9Å; A85-L88 PolarHBondContact O-N 3.29Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 3.26Å; L88-V91 PolarHBondContact O-N 3.32Å; L88-S92 VanDerWaalsContact O-CB 3.27Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.24Å; L88-L122 HydrophobicContact CD2-CD2 3.83Å; L88-F125 HydrophobicContact CD1-CB 3.92Å; L88-L129 HydrophobicContact CD1-CD1 3.67Å; L88-L129 HydrophobicContact CD1-CG 4.47Å |
| 89 | L | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 176.7 | -178.4 | 63.2 | 0 | 0 | 0 | 112.1 | F40 I41 F45 A85 L86 S87 S92 S93 S126 | F40-L89 HydrophobicContact CB-CD1 4.09Å; F40-L89 HydrophobicContact CB-CD2 3.61Å; F40-L89 HydrophobicContact CD2-CD1 3.78Å; F40-L89 HydrophobicContact CG-CD1 4.32Å; I41-L89 HydrophobicContact CG1-CD2 3.68Å; F45-L89 HydrophobicContact CD2-CD2 3.89Å; F45-L89 HydrophobicContact CE2-CD2 3.64Å; A85-L89 PolarHBondContact O-N 2.94Å; A85-L89 VanDerWaalsContact O-N 3.1Å; L86-L89 WeakPolarHBondContact O-CB 3.26Å; L86-L89 PolarHBondContact O-N 2.84Å; S87-L89 VanDerWaalsContact C-N 3.32Å; S87-L89 PolarHBondContact O-N 3.39Å; L89-S92 VanDerWaalsContact O-CB 3.31Å; L89-S92 WeakPolarHBondContact O-CB 3.4Å; L89-S92 PolarHBondContact O-N 3.38Å; L89-S93 PolarHBondContact O-N 3.02Å; L89-S126 WeakPolarHBondContact CB-OG 3.33Å |
| 90 | L | 98.3 | Very high | 97.7 | Very high | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.7 | -65.2 | 174.4 | 0 | 0 | 0 | 110.8 | W2 V6 I41 L86 S87 S92 S93 M94 | W2-L90 HydrophobicContact CH2-CD1 3.52Å; W2-L90 HydrophobicContact CZ3-CD1 3.94Å; V6-L90 HydrophobicContact CG1-CD2 4.31Å; I41-L90 HydrophobicContact CD1-CD2 4.07Å; L86-L90 HydrophobicContact CD1-CD1 4.39Å; L86-L90 HydrophobicContact CD1-CG 4.25Å; L86-L90 HydrophobicContact CG-CD1 4.26Å; L86-L90 WeakPolarHBondContact O-CG 3.31Å; L86-L90 PolarHBondContact O-N 3.46Å; S87-L90 PolarHBondContact O-N 2.93Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.97Å; L90-S93 PolarHBondContact O-N 3.48Å; L90-S93 VanDerWaalsContact O-N 3.13Å; L90-S93 PolarHBondContact O-OG 3.26Å; L90-M94 WeakPolarHBondContact O-CE 3.28Å; L90-M94 WeakPolarHBondContact O-CG 3.38Å; L90-M94 PolarHBondContact O-N 3.35Å |
| 91 | V | 98.4 | Very high | 97.6 | Very high | 58 Ų | 58 | 42.4 Ų | 42.4 | 35% | 0.352 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 110.8 | S87 L88 S93 M94 V95 L122 | S87-V91 WeakPolarHBondContact O-CB 3.26Å; S87-V91 VanDerWaalsContact O-CG2 3.25Å; S87-V91 WeakPolarHBondContact O-CG2 3.04Å; S87-V91 PolarHBondContact O-N 3.29Å; L88-V91 PolarHBondContact O-N 3.32Å; V91-S93 PolarHBondContact O-N 3.1Å; V91-M94 HydrophobicContact CG2-CE 4.26Å; V91-M94 PolarHBondContact O-N 2.94Å; V91-V95 HydrophobicContact CG1-CG2 3.56Å; V91-V95 WeakPolarHBondContact O-CG2 3.48Å; V91-V95 PolarHBondContact O-N 2.86Å; V91-L122 HydrophobicContact CG1-CD1 3.83Å |
| 92 | S | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.6 | -37.6 | 172.8 | 167.1 | 0 | 0 | 0 | 0 | 112.2 | L88 L89 L90 M94 G98 A99 S119 A123 | L88-S92 VanDerWaalsContact O-CB 3.27Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.24Å; L89-S92 VanDerWaalsContact O-CB 3.31Å; L89-S92 WeakPolarHBondContact O-CB 3.4Å; L89-S92 PolarHBondContact O-N 3.38Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 2.97Å; S92-M94 VanDerWaalsContact C-N 3.32Å; S92-M94 PolarHBondContact O-N 3.45Å; S92-G98 VanDerWaalsContact O-CA 3.32Å; S92-G98 WeakPolarHBondContact O-CA 3.5Å; S92-A99 WeakPolarHBondContact OG-CB 3.5Å; S92-S119 VanDerWaalsContact CB-O 3.3Å; S92-S119 WeakPolarHBondContact CB-O 3.37Å; S92-S119 WeakPolarHBondContact O-CB 3.33Å; S92-S119 PolarHBondContact OG-O 3.19Å; S92-A123 WeakPolarHBondContact OG-CB 3.46Å |
| 93 | S | 96.3 | Very high | 97.6 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 29% | 0.294 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -76.2 | -15.1 | 177.3 | 70.1 | 0 | 0 | 0 | 0 | 115 | L89 L90 V91 | L89-S93 PolarHBondContact O-N 3.02Å; L90-S93 PolarHBondContact O-N 3.48Å; L90-S93 VanDerWaalsContact O-N 3.13Å; L90-S93 PolarHBondContact O-OG 3.26Å; V91-S93 PolarHBondContact O-N 3.1Å |
| 94 | M | 96.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 42.3 Ų | 42.3 | 69% | 0.685 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -108.5 | -16.8 | -175.9 | -64.4 | -175.5 | -68.2 | 0 | 0 | 113.8 | L90 V91 S92 | L90-M94 WeakPolarHBondContact O-CE 3.28Å; L90-M94 WeakPolarHBondContact O-CG 3.38Å; L90-M94 PolarHBondContact O-N 3.35Å; V91-M94 HydrophobicContact CG2-CE 4.26Å; V91-M94 PolarHBondContact O-N 2.94Å; S92-M94 VanDerWaalsContact C-N 3.32Å; S92-M94 PolarHBondContact O-N 3.45Å |
| 95 | V | 96.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 28% | 0.279 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -88.6 | 133.1 | 179.9 | 170.3 | 0 | 0 | 0 | 0 | 109.7 | V91 N97 G98 A118 L122 | V91-V95 HydrophobicContact CG1-CG2 3.56Å; V91-V95 WeakPolarHBondContact O-CG2 3.48Å; V91-V95 PolarHBondContact O-N 2.86Å; V95-N97 PolarHBondContact O-N 3.47Å; V95-G98 PolarHBondContact O-N 3.26Å; V95-A118 HydrophobicContact CG1-CB 4.48Å; V95-L122 HydrophobicContact CB-CD1 4.32Å; V95-L122 HydrophobicContact CG2-CD1 4.19Å |
| 96 | E | 95.1 | Very high | 97.5 | Very high | 120 Ų | 120 | 42.4 Ų | 42.4 | 56% | 0.561 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | -126.6 | -178.5 | -60.8 | 171.1 | -167.8 | 0 | 0 | 111.8 | G98 G117 A118 | E96-G98 VanDerWaalsContact C-N 3.34Å; E96-G117 VanDerWaalsContact CD-CA 3.45Å; E96-G117 VanDerWaalsContact OE1-CA 3.3Å; E96-G117 WeakPolarHBondContact OE1-CA 3.22Å; E96-G117 WeakPolarHBondContact OE2-CA 3.32Å; E96-G117 PolarHBondContact OE2-N 2.85Å; E96-A118 VanDerWaalsContact CD-N 3.31Å; E96-A118 PolarHBondContact OE1-N 3.01Å; E96-A118 PolarHBondContact OE2-N 3.05Å; E96-A118 VanDerWaalsContact OE2-N 3.15Å |
| 97 | N | 94.6 | Very high | 97.5 | Very high | 126 Ų | 126 | 42 Ų | 42 | 67% | 0.674 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 9.4 | 179.7 | -66.1 | -25.8 | 0 | 0 | 0 | 113 | Q29 V33 V95 | Q29-N97 HydrophobicContact CG-CB 4.24Å; Q29-N97 WeakPolarHBondContact CG-O 3.25Å; Q29-N97 PolarHBondContact NE2-O 2.95Å; V33-N97 VanDerWaalsContact CG2-O 3.31Å; V33-N97 WeakPolarHBondContact CG2-O 3.38Å; V95-N97 PolarHBondContact O-N 3.47Å |
| 98 | G | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | trans | 68.1 | 170 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q29 S92 V95 E96 G100 S119 | Q29-G98 PolarHBondContact NE2-O 2.9Å; S92-G98 VanDerWaalsContact O-CA 3.32Å; S92-G98 WeakPolarHBondContact O-CA 3.5Å; V95-G98 PolarHBondContact O-N 3.26Å; E96-G98 VanDerWaalsContact C-N 3.34Å; G98-G100 PolarHBondContact O-N 2.92Å; G98-S119 PolarHBondContact O-OG 3.26Å | ||
| 99 | A | 97.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 5% | 0.05 | 24% | 0.244 | C | C | . | . | trans | -86.8 | 87.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T36 S92 T101 V120 A123 | T36-A99 VanDerWaalsContact CB-O 3.26Å; T36-A99 WeakPolarHBondContact CB-O 3.44Å; T36-A99 WeakPolarHBondContact CG2-O 3.27Å; T36-A99 PolarHBondContact OG1-O 2.85Å; S92-A99 WeakPolarHBondContact OG-CB 3.5Å; A99-T101 PolarHBondContact O-N 2.67Å; A99-V120 HydrophobicContact CB-CG2 4.28Å; A99-A123 HydrophobicContact CB-CB 4.16Å | ||
| 100 | G | 97.5 | Very high | 97.3 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | trans | -94.8 | 38.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | G98 H115 | G98-G100 PolarHBondContact O-N 2.92Å; G100-H115 PolarHBondContact N-NE2 3.23Å | ||
| 101 | T | 97.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 43.6 Ų | 43.6 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -98.4 | -1.7 | -169 | 61.4 | 0 | 0 | 0 | 0 | 114 | A99 L109 V120 | A99-T101 PolarHBondContact O-N 2.67Å; T101-L109 HydrophobicContact CG2-CG 4.5Å; T101-V120 HydrophobicContact CG2-CG2 3.97Å |
| 102 | G | 97.5 | Very high | 97.1 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 163.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T36 T104 V105 | T36-G102 VanDerWaalsContact OG1-CA 3.26Å; T36-G102 WeakPolarHBondContact OG1-CA 3.49Å; T36-G102 PolarHBondContact OG1-N 2.92Å; G102-T104 PolarHBondContact O-N 3.06Å; G102-T104 VanDerWaalsContact O-N 3.15Å; G102-V105 PolarHBondContact O-N 3.25Å; G102-V105 VanDerWaalsContact O-N 3.15Å |
| 103 | W | 97.7 | Very high | 96.8 | Very high | 60 Ų | 60 | 49.4 Ų | 49.4 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -16.6 | -178.3 | 83.7 | -78.3 | 0 | 0 | 0 | 113.7 | A39 F40 I43 F212 W213 | A39-W103 HydrophobicContact CB-CB 3.53Å; A39-W103 HydrophobicContact CB-CG 4.14Å; F40-W103 HydrophobicContact CD1-CB 4.37Å; F40-W103 HydrophobicContact CE1-CB 4.07Å; F40-W103 WeakPolarHBondContact CE1-O 3.38Å; F40-W103 HydrophobicContact CZ-CB 4.37Å; F40-W103 VanDerWaalsContact CZ-O 3.28Å; F40-W103 WeakPolarHBondContact CZ-O 3.48Å; I43-W103 HydrophobicContact CD1-CD2 4.47Å; I43-W103 HydrophobicContact CD1-CE3 3.99Å; I43-W103 HydrophobicContact CD1-CZ3 4.1Å; W103-F212 HydrophobicContact CD2-CZ 4.23Å; W103-F212 HydrophobicContact CE3-CE1 4.46Å; W103-F212 AromaticContact CE3-CZ 3.72Å; W103-F212 HydrophobicContact CE3-CZ 3.72Å; W103-F212 AromaticContact CH2-CE1 3.81Å; W103-F212 HydrophobicContact CH2-CE1 3.81Å; W103-F212 AromaticContact CH2-CZ 3.82Å; W103-F212 HydrophobicContact CH2-CZ 3.82Å; W103-F212 HydrophobicContact CZ2-CE1 4.1Å; W103-F212 HydrophobicContact CZ2-CZ 4.3Å; W103-F212 HydrophobicContact CZ3-CE1 4.01Å; W103-F212 AromaticContact CZ3-CZ 3.51Å; W103-F212 HydrophobicContact CZ3-CZ 3.51Å; W103-W213 HydrophobicContact CH2-CH2 4.39Å; W103-W213 HydrophobicContact CH2-CZ3 4.05Å; W103-W213 AromaticContact CZ2-CH2 3.7Å; W103-W213 HydrophobicContact CZ2-CH2 3.7Å; W103-W213 AromaticContact CZ2-CZ3 3.79Å; W103-W213 HydrophobicContact CZ2-CZ3 3.79Å |
| 104 | T | 97.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 50 Ų | 50 | 12% | 0.123 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -22.2 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 112.9 | G102 Y106 Y208 F212 W213 | G102-T104 PolarHBondContact O-N 3.06Å; G102-T104 VanDerWaalsContact O-N 3.15Å; T104-Y106 VanDerWaalsContact C-N 3.34Å; T104-Y106 VanDerWaalsContact CB-CE1 3.47Å; T104-Y106 HydrophobicContact CG2-CE1 4.23Å; T104-Y106 PolarHBondContact O-N 2.94Å; T104-Y208 WeakPolarHBondContact O-CE1 3.33Å; T104-Y208 PolarHBondContact O-OH 3.49Å; T104-F212 HydrophobicContact CG2-CD1 4.31Å; T104-F212 HydrophobicContact CG2-CE1 3.69Å; T104-F212 HydrophobicContact CG2-CZ 4.05Å; T104-W213 HydrophobicContact CG2-CH2 4.23Å; T104-W213 HydrophobicContact CG2-CZ2 4.05Å |
| 105 | V | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 42.1 | 175.8 | -158.9 | 0 | 0 | 0 | 0 | 112.7 | F40 G102 S110 V120 L186 Y208 | F40-V105 HydrophobicContact CE2-CG2 4.25Å; F40-V105 HydrophobicContact CZ-CG2 3.55Å; G102-V105 PolarHBondContact O-N 3.25Å; G102-V105 VanDerWaalsContact O-N 3.15Å; V105-S110 WeakPolarHBondContact O-CB 3.24Å; V105-S110 PolarHBondContact O-OG 3.09Å; V105-V120 HydrophobicContact CG1-CG1 4.09Å; V105-L186 HydrophobicContact CG1-CD2 3.79Å; V105-Y208 PolarHBondContact O-OH 2.86Å |
| 106 | Y | 98.3 | Very high | 96.6 | Very high | 54 Ų | 54 | 45.1 Ų | 45.1 | 21% | 0.212 | 28% | 0.275 | C | S | . | . | trans | -67.7 | 129 | -175.4 | -71.8 | -15.9 | 0 | 0 | 0 | 113.9 | T104 L109 S110 Y208 Q209 F212 W213 | T104-Y106 VanDerWaalsContact C-N 3.34Å; T104-Y106 VanDerWaalsContact CB-CE1 3.47Å; T104-Y106 HydrophobicContact CG2-CE1 4.23Å; T104-Y106 PolarHBondContact O-N 2.94Å; Y106-L109 WeakPolarHBondContact O-CB 3.2Å; Y106-L109 PolarHBondContact O-N 3.2Å; Y106-S110 PolarHBondContact O-N 3.46Å; Y106-S110 PolarHBondContact O-OG 3.45Å; Y106-Y208 AromaticContact CD1-CD1 3.56Å; Y106-Y208 HydrophobicContact CD1-CD1 3.56Å; Y106-Y208 AromaticContact CD1-CE1 3.58Å; Y106-Y208 HydrophobicContact CD1-CE1 3.58Å; Y106-Y208 HydrophobicContact CE1-CD1 4.04Å; Y106-Y208 HydrophobicContact CE1-CE1 4.07Å; Y106-Q209 HydrophobicContact CD1-CG 4.22Å; Y106-Q209 HydrophobicContact CD2-CG 4.5Å; Y106-Q209 HydrophobicContact CE1-CB 4.42Å; Y106-Q209 HydrophobicContact CE1-CG 3.81Å; Y106-Q209 HydrophobicContact CE2-CG 4.13Å; Y106-F212 HydrophobicContact CE1-CD1 4.42Å; Y106-F212 HydrophobicContact CE1-CG 4.5Å; Y106-W213 AromaticContact CZ-NE1 3.95Å; Y106-W213 WeakPolarHBondContact OH-CZ2 3.39Å; Y106-W213 PolarHBondContact OH-NE1 3.01Å | ||
| 107 | P | 97.4 | Very high | 96.6 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 7% | 0.065 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 153.5 | 160.1 | 29.3 | -31.3 | 0 | 0 | 0 | 109.9 | L109 S110 L186 F197 Y208 | P107-L109 VanDerWaalsContact C-N 3.35Å; P107-S110 VanDerWaalsContact N-OG 3.08Å; P107-L186 HydrophobicContact CB-CD1 4.14Å; P107-L186 HydrophobicContact CG-CD1 4.43Å; P107-F197 HydrophobicContact CB-CB 3.95Å; P107-F197 HydrophobicContact CG-CB 3.57Å; P107-F197 HydrophobicContact CG-CD2 4.04Å; P107-F197 HydrophobicContact CG-CG 3.84Å; P107-Y208 HydrophobicContact CG-CD2 4.08Å; P107-Y208 HydrophobicContact CG-CG 3.85Å |
| 108 | P | 97.1 | Very high | 96.8 | Very high | 84 Ų | 84 | 36 Ų | 36 | 55% | 0.545 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81 | -5.1 | 1.9 | 33.5 | -36 | 0 | 0 | 0 | 114.2 | S110 A111 | P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.3Å; P108-A111 VanDerWaalsContact O-CB 3.3Å; P108-A111 WeakPolarHBondContact O-CB 3.45Å; P108-A111 PolarHBondContact O-N 2.84Å |
| 109 | L | 97.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 36 Ų | 36 | 45% | 0.45 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -38.2 | -178.7 | -179.7 | 63 | 0 | 0 | 0 | 112.2 | T101 Y106 P107 A111 A114 H115 | T101-L109 HydrophobicContact CG2-CG 4.5Å; Y106-L109 WeakPolarHBondContact O-CB 3.2Å; Y106-L109 PolarHBondContact O-N 3.2Å; P107-L109 VanDerWaalsContact C-N 3.35Å; L109-A111 VanDerWaalsContact C-N 3.31Å; L109-A114 HydrophobicContact CD1-CB 4.19Å; L109-A114 VanDerWaalsContact O-CB 3.3Å; L109-A114 WeakPolarHBondContact O-CB 3.12Å; L109-H115 PolarHBondContact O-ND1 3.26Å |
| 110 | S | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | -1.5 | 175.4 | 63.8 | 0 | 0 | 0 | 0 | 114.3 | V105 Y106 P107 P108 L186 R190 | V105-S110 WeakPolarHBondContact O-CB 3.24Å; V105-S110 PolarHBondContact O-OG 3.09Å; Y106-S110 PolarHBondContact O-N 3.46Å; Y106-S110 PolarHBondContact O-OG 3.45Å; P107-S110 VanDerWaalsContact N-OG 3.08Å; P108-S110 VanDerWaalsContact C-N 3.3Å; P108-S110 PolarHBondContact O-N 3.3Å; S110-L186 WeakPolarHBondContact OG-CD2 3.31Å; S110-R190 WeakPolarHBondContact O-CD 3.27Å; S110-R190 PolarHBondContact O-NH1 2.89Å |
| 111 | A | 96.8 | Very high | 96.9 | Very high | 19 Ų | 19 | 36.3 Ų | 36.3 | 16% | 0.157 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -81 | 166.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P108 L109 I113 A114 H115 | P108-A111 VanDerWaalsContact O-CB 3.3Å; P108-A111 WeakPolarHBondContact O-CB 3.45Å; P108-A111 PolarHBondContact O-N 2.84Å; L109-A111 VanDerWaalsContact C-N 3.31Å; A111-I113 PolarHBondContact O-N 3.39Å; A111-I113 VanDerWaalsContact O-N 3.14Å; A111-A114 PolarHBondContact O-N 2.86Å; A111-A114 VanDerWaalsContact O-N 3.13Å; A111-H115 PolarHBondContact O-N 3.34Å |
| 112 | G | 94.3 | Very high | 97 | Very high | 34 Ų | 34 | 37.4 Ų | 37.4 | 35% | 0.351 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A114 G116 | G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 3.02Å; G112-G116 VanDerWaalsContact O-CA 3.23Å; G112-G116 WeakPolarHBondContact O-CA 3.33Å |
| 113 | I | 92.9 | Very high | 97 | Very high | 148 Ų | 148 | 36.4 Ų | 36.4 | 76% | 0.759 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -35.9 | 177 | -62.5 | 171.1 | 0 | 0 | 0 | 111.5 | A111 | A111-I113 PolarHBondContact O-N 3.39Å; A111-I113 VanDerWaalsContact O-N 3.14Å |
| 114 | A | 95.4 | Very high | 97.1 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -35.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L109 A111 G112 | L109-A114 HydrophobicContact CD1-CB 4.19Å; L109-A114 VanDerWaalsContact O-CB 3.3Å; L109-A114 WeakPolarHBondContact O-CB 3.12Å; A111-A114 PolarHBondContact O-N 2.86Å; A111-A114 VanDerWaalsContact O-N 3.13Å; G112-A114 VanDerWaalsContact C-N 3.32Å; G112-A114 PolarHBondContact O-N 3.02Å |
| 115 | H | 97.1 | Very high | 97.1 | Very high | 16 Ų | 16 | 37.3 Ų | 37.3 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -122.9 | 86.5 | 174.6 | -78.6 | 79 | 0 | 0 | 0 | 109.8 | Q29 G100 L109 A111 G117 V120 R190 | Q29-H115 PolarHBondContact NE2-NE2 3.09Å; Q29-H115 VanDerWaalsContact NE2-NE2 3.1Å; G100-H115 PolarHBondContact N-NE2 3.23Å; L109-H115 PolarHBondContact O-ND1 3.26Å; A111-H115 PolarHBondContact O-N 3.34Å; H115-G117 PolarHBondContact O-N 3.22Å; H115-V120 HydrophobicContact CB-CG2 3.69Å; H115-R190 PolarHBondContact O-NH1 3.44Å; H115-R190 PolarHBondContact O-NH2 3.06Å; H115-R190 VanDerWaalsContact O-NH2 3.16Å |
| 116 | G | 93.2 | Very high | 97.2 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 69% | 0.691 | 24% | 0.237 | S | C | * | . | trans | -74.1 | -18 | -163.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | G112 | G112-G116 VanDerWaalsContact O-CA 3.23Å; G112-G116 WeakPolarHBondContact O-CA 3.33Å | ||
| 117 | G | 95.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 35 Ų | 35 | 17% | 0.165 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -129.1 | -157.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | E96 H115 S119 R190 | E96-G117 VanDerWaalsContact CD-CA 3.45Å; E96-G117 VanDerWaalsContact OE1-CA 3.3Å; E96-G117 WeakPolarHBondContact OE1-CA 3.22Å; E96-G117 WeakPolarHBondContact OE2-CA 3.32Å; E96-G117 PolarHBondContact OE2-N 2.85Å; H115-G117 PolarHBondContact O-N 3.22Å; G117-S119 PolarHBondContact O-N 3.34Å; G117-S119 VanDerWaalsContact O-N 3.08Å; G117-R190 PolarHBondContact O-NH2 3.13Å |
| 118 | A | 97.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 36.3 Ų | 36.3 | 31% | 0.314 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -5.9 | -148.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V95 E96 V120 D121 L122 | V95-A118 HydrophobicContact CG1-CB 4.48Å; E96-A118 VanDerWaalsContact CD-N 3.31Å; E96-A118 PolarHBondContact OE1-N 3.01Å; E96-A118 PolarHBondContact OE2-N 3.05Å; E96-A118 VanDerWaalsContact OE2-N 3.15Å; A118-V120 PolarHBondContact O-N 2.83Å; A118-D121 PolarHBondContact O-N 3.26Å; A118-L122 WeakPolarHBondContact O-CG 3.23Å; A118-L122 PolarHBondContact O-N 3.35Å |
| 119 | S | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | -174.7 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | S92 G98 G117 L122 A123 | S92-S119 VanDerWaalsContact CB-O 3.3Å; S92-S119 WeakPolarHBondContact CB-O 3.37Å; S92-S119 WeakPolarHBondContact O-CB 3.33Å; S92-S119 PolarHBondContact OG-O 3.19Å; G98-S119 PolarHBondContact O-OG 3.26Å; G117-S119 PolarHBondContact O-N 3.34Å; G117-S119 VanDerWaalsContact O-N 3.08Å; S119-L122 PolarHBondContact O-N 2.97Å; S119-A123 PolarHBondContact O-N 3.38Å; S119-A123 VanDerWaalsContact O-N 3.15Å |
| 120 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.8 | -36 | 179 | 178 | 0 | 0 | 0 | 0 | 111.1 | A99 T101 V105 H115 A118 L122 A123 I124 | A99-V120 HydrophobicContact CB-CG2 4.28Å; T101-V120 HydrophobicContact CG2-CG2 3.97Å; V105-V120 HydrophobicContact CG1-CG1 4.09Å; H115-V120 HydrophobicContact CB-CG2 3.69Å; A118-V120 PolarHBondContact O-N 2.83Å; V120-L122 PolarHBondContact O-N 3.11Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.39Å; V120-I124 HydrophobicContact CG1-CD1 4.05Å; V120-I124 HydrophobicContact CG1-CG1 4.47Å; V120-I124 WeakPolarHBondContact O-CG1 3.44Å; V120-I124 PolarHBondContact O-N 3.25Å |
| 121 | D | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 30.9 Ų | 30.9 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -41.9 | 178.7 | -53 | -47.8 | 0 | 0 | 0 | 111.1 | A118 A123 I124 F125 L187 R190 N191 | A118-D121 PolarHBondContact O-N 3.26Å; D121-A123 PolarHBondContact O-N 3.06Å; D121-I124 WeakPolarHBondContact O-CB 3.36Å; D121-I124 PolarHBondContact O-N 2.97Å; D121-F125 HydrophobicContact CB-CE2 4.43Å; D121-F125 WeakPolarHBondContact O-CD2 3.27Å; D121-F125 WeakPolarHBondContact O-CG 3.4Å; D121-F125 PolarHBondContact O-N 2.82Å; D121-L187 HydrophobicContact CB-CD1 3.85Å; D121-L187 VanDerWaalsContact OD1-CD1 3.31Å; D121-L187 WeakPolarHBondContact OD1-CD1 3.49Å; D121-R190 IonicContact OD1-CZ 3.56Å; D121-R190 IonicContact OD1-NE 2.76Å; D121-R190 PolarHBondContact OD1-NE 3.4Å; D121-R190 IonicContact OD1-NH2 3.48Å; D121-R190 PolarHBondContact OD1-NH2 3.18Å; D121-R190 IonicContact OD2-NE 3.97Å; D121-R190 IonicContact OD2-NH2 3.27Å; D121-R190 PolarHBondContact OD2-NH2 3.39Å; D121-N191 PolarHBondContact OD1-ND2 3.31Å |
| 122 | L | 98.8 | Very high | 97.5 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64 | -37.9 | 174.2 | -69.1 | 173 | 0 | 0 | 0 | 112.5 | L88 V91 V95 A118 S119 V120 F125 S126 | L88-L122 HydrophobicContact CD2-CD2 3.83Å; V91-L122 HydrophobicContact CG1-CD1 3.83Å; V95-L122 HydrophobicContact CB-CD1 4.32Å; V95-L122 HydrophobicContact CG2-CD1 4.19Å; A118-L122 WeakPolarHBondContact O-CG 3.23Å; A118-L122 PolarHBondContact O-N 3.35Å; S119-L122 PolarHBondContact O-N 2.97Å; V120-L122 PolarHBondContact O-N 3.11Å; L122-F125 PolarHBondContact O-N 2.73Å; L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.13Å |
| 123 | A | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.6 | -43.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S92 A99 S119 V120 D121 F125 S126 L127 | S92-A123 WeakPolarHBondContact OG-CB 3.46Å; A99-A123 HydrophobicContact CB-CB 4.16Å; S119-A123 PolarHBondContact O-N 3.38Å; S119-A123 VanDerWaalsContact O-N 3.15Å; V120-A123 WeakPolarHBondContact O-CB 3.41Å; V120-A123 PolarHBondContact O-N 3.39Å; D121-A123 PolarHBondContact O-N 3.06Å; A123-F125 PolarHBondContact O-N 3.45Å; A123-S126 VanDerWaalsContact O-CB 3.31Å; A123-S126 WeakPolarHBondContact O-CB 3.5Å; A123-S126 PolarHBondContact O-N 3.4Å; A123-L127 WeakPolarHBondContact O-CG 3.08Å; A123-L127 PolarHBondContact O-N 3.48Å |
| 124 | I | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 175.6 | -70.3 | 168.7 | 0 | 0 | 0 | 110.8 | V120 D121 S126 L127 H128 I183 L186 L187 | V120-I124 HydrophobicContact CG1-CD1 4.05Å; V120-I124 HydrophobicContact CG1-CG1 4.47Å; V120-I124 WeakPolarHBondContact O-CG1 3.44Å; V120-I124 PolarHBondContact O-N 3.25Å; D121-I124 WeakPolarHBondContact O-CB 3.36Å; D121-I124 PolarHBondContact O-N 2.97Å; I124-S126 VanDerWaalsContact C-N 3.32Å; I124-S126 PolarHBondContact O-N 2.93Å; I124-L127 PolarHBondContact O-N 3.23Å; I124-H128 WeakPolarHBondContact CG2-CE1 3.46Å; I124-H128 WeakPolarHBondContact CG2-ND1 3.46Å; I124-H128 PolarHBondContact O-N 3.39Å; I124-H128 PolarHBondContact O-ND1 2.85Å; I124-I183 HydrophobicContact CG1-CB 4.34Å; I124-I183 HydrophobicContact CG2-CB 4.05Å; I124-I183 HydrophobicContact CG2-CD1 4.23Å; I124-I183 HydrophobicContact CG2-CG1 4.16Å; I124-L186 HydrophobicContact CD1-CD2 4.04Å; I124-L186 HydrophobicContact CD1-CG 4.18Å; I124-L187 HydrophobicContact CD1-CB 4.25Å; I124-L187 HydrophobicContact CD1-CD1 4.19Å; I124-L187 HydrophobicContact CG2-CB 4.24Å; I124-L187 HydrophobicContact CG2-CD1 4.33Å; I124-L187 HydrophobicContact CG2-CD2 4.34Å |
| 125 | F | 98.9 | Very high | 98.1 | Very high | 98 Ų | 98 | 25.9 Ų | 25.9 | 43% | 0.43 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.1 | -37 | 176.4 | -69.6 | -51.7 | 0 | 0 | 0 | 112.6 | L88 D121 L122 A123 H128 L129 L187 | L88-F125 HydrophobicContact CD1-CB 3.92Å; D121-F125 HydrophobicContact CB-CE2 4.43Å; D121-F125 WeakPolarHBondContact O-CD2 3.27Å; D121-F125 WeakPolarHBondContact O-CG 3.4Å; D121-F125 PolarHBondContact O-N 2.82Å; L122-F125 PolarHBondContact O-N 2.73Å; A123-F125 PolarHBondContact O-N 3.45Å; F125-H128 PolarHBondContact O-N 3Å; F125-L129 PolarHBondContact O-N 3.16Å; F125-L187 HydrophobicContact CE1-CD2 3.76Å; F125-L187 HydrophobicContact CZ-CD1 4.48Å; F125-L187 HydrophobicContact CZ-CD2 3.89Å |
| 126 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.7 | -50 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | F45 A85 L89 L122 A123 I124 H128 L129 A130 | F45-S126 WeakPolarHBondContact CZ-OG 3.3Å; A85-S126 VanDerWaalsContact O-CB 3.26Å; A85-S126 WeakPolarHBondContact O-CB 3.43Å; A85-S126 PolarHBondContact O-OG 2.84Å; L89-S126 WeakPolarHBondContact CB-OG 3.33Å; L122-S126 WeakPolarHBondContact O-CB 3.48Å; L122-S126 PolarHBondContact O-N 3.13Å; A123-S126 VanDerWaalsContact O-CB 3.31Å; A123-S126 WeakPolarHBondContact O-CB 3.5Å; A123-S126 PolarHBondContact O-N 3.4Å; I124-S126 VanDerWaalsContact C-N 3.32Å; I124-S126 PolarHBondContact O-N 2.93Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 3.21Å; S126-L129 PolarHBondContact O-N 3.15Å; S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.44Å |
| 127 | L | 98.6 | Very high | 98.4 | Very high | 9 Ų | 9 | 23.9 Ų | 23.9 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.4 | -36.3 | 179.3 | -66.4 | 177.5 | 0 | 0 | 0 | 112.3 | F40 F44 A123 I124 G131 I183 | F40-L127 HydrophobicContact CD1-CD2 3.85Å; F40-L127 HydrophobicContact CE1-CD1 3.83Å; F40-L127 HydrophobicContact CE1-CD2 3.93Å; F40-L127 HydrophobicContact CE1-CG 4.43Å; F40-L127 HydrophobicContact CG-CD2 4.45Å; F40-L127 HydrophobicContact CZ-CD1 3.87Å; F44-L127 HydrophobicContact CD2-CD2 3.73Å; F44-L127 HydrophobicContact CE2-CD2 3.77Å; F44-L127 HydrophobicContact CG-CD2 4.24Å; F44-L127 HydrophobicContact CZ-CD2 4.3Å; A123-L127 WeakPolarHBondContact O-CG 3.08Å; A123-L127 PolarHBondContact O-N 3.48Å; I124-L127 PolarHBondContact O-N 3.23Å; L127-G131 PolarHBondContact O-N 3.42Å; L127-I183 HydrophobicContact CB-CD1 3.84Å |
| 128 | H | 98.9 | Very high | 98.5 | Very high | 38 Ų | 38 | 23.1 Ų | 23.1 | 18% | 0.176 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.9 | -49.2 | 172.6 | -80.3 | 99.6 | 0 | 0 | 0 | 112.4 | I124 F125 S126 A130 G131 I132 I183 T184 | I124-H128 WeakPolarHBondContact CG2-CE1 3.46Å; I124-H128 WeakPolarHBondContact CG2-ND1 3.46Å; I124-H128 PolarHBondContact O-N 3.39Å; I124-H128 PolarHBondContact O-ND1 2.85Å; F125-H128 PolarHBondContact O-N 3Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 3.21Å; H128-A130 PolarHBondContact O-N 2.86Å; H128-G131 PolarHBondContact O-N 3.13Å; H128-I132 VanDerWaalsContact O-CG1 3.29Å; H128-I132 WeakPolarHBondContact O-CG1 3.47Å; H128-I132 PolarHBondContact O-N 2.69Å; H128-I183 VanDerWaalsContact CE1-CG1 3.43Å; H128-I183 WeakPolarHBondContact CE1-CG1 3.41Å; H128-T184 PolarHBondContact NE2-OG1 3.02Å |
| 129 | L | 98.8 | Very high | 98.6 | Very high | 43 Ų | 43 | 23.5 Ų | 23.5 | 23% | 0.225 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.5 | -41.1 | -180 | -69.7 | -172.9 | 0 | 0 | 0 | 111.8 | L81 P84 A85 L88 F125 S126 G131 I132 S133 | L81-L129 HydrophobicContact CD2-CD2 4.26Å; P84-L129 HydrophobicContact CB-CD1 4.19Å; P84-L129 HydrophobicContact CG-CD1 4.34Å; A85-L129 HydrophobicContact CB-CB 3.63Å; A85-L129 HydrophobicContact CB-CD1 4.46Å; L88-L129 HydrophobicContact CD1-CD1 3.67Å; L88-L129 HydrophobicContact CD1-CG 4.47Å; F125-L129 PolarHBondContact O-N 3.16Å; S126-L129 PolarHBondContact O-N 3.15Å; L129-G131 VanDerWaalsContact C-N 3.35Å; L129-I132 PolarHBondContact O-N 3.34Å; L129-S133 PolarHBondContact O-N 3.34Å |
| 130 | A | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F45 A85 S126 H128 S133 S134 | F45-A130 HydrophobicContact CZ-CB 4.2Å; A85-A130 HydrophobicContact CB-CB 4.37Å; S126-A130 WeakPolarHBondContact O-CB 3.32Å; S126-A130 PolarHBondContact O-N 3.44Å; H128-A130 PolarHBondContact O-N 2.86Å; A130-S133 VanDerWaalsContact O-CB 3.32Å; A130-S133 WeakPolarHBondContact O-CB 3.32Å; A130-S133 PolarHBondContact O-N 2.85Å; A130-S134 PolarHBondContact O-N 3.33Å; A130-S134 PolarHBondContact O-OG 3.19Å |
| 131 | G | 98.3 | Very high | 98.6 | Very high | 12 Ų | 12 | 23.5 Ų | 23.5 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L127 H128 L129 S133 S134 I135 | L127-G131 PolarHBondContact O-N 3.42Å; H128-G131 PolarHBondContact O-N 3.13Å; L129-G131 VanDerWaalsContact C-N 3.35Å; G131-S133 VanDerWaalsContact C-N 3.33Å; G131-S133 PolarHBondContact O-N 2.84Å; G131-S134 PolarHBondContact O-N 3.45Å; G131-I135 WeakPolarHBondContact O-CG1 3.41Å; G131-I135 PolarHBondContact O-N 3.34Å |
| 132 | I | 98.7 | Very high | 98.6 | Very high | 77 Ų | 77 | 24 Ų | 24 | 40% | 0.395 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.5 | -65.3 | 163.5 | 0 | 0 | 0 | 110.2 | L81 H128 L129 S134 I135 L136 | L81-I132 HydrophobicContact CD1-CB 4.12Å; L81-I132 HydrophobicContact CD1-CG2 3.55Å; H128-I132 VanDerWaalsContact O-CG1 3.29Å; H128-I132 WeakPolarHBondContact O-CG1 3.47Å; H128-I132 PolarHBondContact O-N 2.69Å; L129-I132 PolarHBondContact O-N 3.34Å; I132-S134 VanDerWaalsContact C-N 3.34Å; I132-S134 PolarHBondContact O-N 3.37Å; I132-I135 PolarHBondContact O-N 3.37Å; I132-L136 HydrophobicContact CG2-CD1 4.01Å; I132-L136 HydrophobicContact CG2-CG 4.23Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 VanDerWaalsContact O-CG 3.29Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 2.89Å |
| 133 | S | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 6% | 0.056 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -52.3 | -52.3 | 174.3 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | S78 L129 A130 G131 L136 G137 | S78-S133 VanDerWaalsContact C-OG 3.3Å; S78-S133 VanDerWaalsContact CB-O 3.24Å; S78-S133 WeakPolarHBondContact CB-O 3.34Å; S78-S133 VanDerWaalsContact O-CB 3.26Å; S78-S133 WeakPolarHBondContact O-CB 3.32Å; S78-S133 PolarHBondContact O-OG 3.48Å; L129-S133 PolarHBondContact O-N 3.34Å; A130-S133 VanDerWaalsContact O-CB 3.32Å; A130-S133 WeakPolarHBondContact O-CB 3.32Å; A130-S133 PolarHBondContact O-N 2.85Å; G131-S133 VanDerWaalsContact C-N 3.33Å; G131-S133 PolarHBondContact O-N 2.84Å; S133-L136 PolarHBondContact O-N 3.27Å; S133-G137 PolarHBondContact O-N 3.08Å |
| 134 | S | 98.1 | Very high | 98.6 | Very high | 18 Ų | 18 | 23.7 Ų | 23.7 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.3 | -37.9 | -178.9 | -67.7 | 0 | 0 | 0 | 0 | 113.7 | A130 G131 I132 G137 A138 L176 | A130-S134 PolarHBondContact O-N 3.33Å; A130-S134 PolarHBondContact O-OG 3.19Å; G131-S134 PolarHBondContact O-N 3.45Å; I132-S134 VanDerWaalsContact C-N 3.34Å; I132-S134 PolarHBondContact O-N 3.37Å; S134-G137 PolarHBondContact O-N 2.96Å; S134-A138 WeakPolarHBondContact O-CB 3.19Å; S134-A138 PolarHBondContact O-N 3.14Å; S134-L176 VanDerWaalsContact CB-CD1 3.46Å |
| 135 | I | 98.6 | Very high | 98.6 | Very high | 47 Ų | 47 | 23.8 Ų | 23.8 | 24% | 0.241 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 176 | -69.5 | 167.6 | 0 | 0 | 0 | 110.9 | G131 I132 G137 A138 V139 L173 L176 | G131-I135 WeakPolarHBondContact O-CG1 3.41Å; G131-I135 PolarHBondContact O-N 3.34Å; I132-I135 PolarHBondContact O-N 3.37Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 3.09Å; I135-A138 PolarHBondContact O-N 2.94Å; I135-V139 WeakPolarHBondContact O-CG2 3.3Å; I135-V139 PolarHBondContact O-N 3.43Å; I135-L173 HydrophobicContact CG2-CD1 4.14Å; I135-L176 HydrophobicContact CD1-CB 3.98Å; I135-L176 HydrophobicContact CG1-CB 3.97Å; I135-L176 HydrophobicContact CG1-CD1 3.87Å |
| 136 | L | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 19% | 0.188 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 176.7 | -68.9 | -179.8 | 0 | 0 | 0 | 111.2 | M74 M77 L81 I132 S133 N140 | M74-L136 HydrophobicContact CG-CB 3.91Å; M74-L136 HydrophobicContact CG-CD1 4.5Å; M74-L136 HydrophobicContact CG-CD2 3.89Å; M74-L136 HydrophobicContact CG-CG 4.3Å; M74-L136 HydrophobicContact SD-CB 4.34Å; M74-L136 HydrophobicContact SD-CD2 4Å; M77-L136 HydrophobicContact CE-CD1 4.39Å; M77-L136 HydrophobicContact CG-CD1 4.09Å; M77-L136 HydrophobicContact SD-CD1 4.06Å; L81-L136 HydrophobicContact CD1-CD1 4.06Å; I132-L136 HydrophobicContact CG2-CD1 4.01Å; I132-L136 HydrophobicContact CG2-CG 4.23Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 VanDerWaalsContact O-CG 3.29Å; I132-L136 WeakPolarHBondContact O-CG 3.33Å; I132-L136 PolarHBondContact O-N 2.89Å; S133-L136 PolarHBondContact O-N 3.27Å; L136-N140 WeakPolarHBondContact O-CB 3.34Å; L136-N140 PolarHBondContact O-N 3.45Å; L136-N140 VanDerWaalsContact O-N 3.15Å |
| 137 | G | 98.3 | Very high | 98.4 | Very high | 5 Ų | 5 | 29 Ų | 29 | 5% | 0.052 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S133 S134 I135 V139 N140 F141 | S133-G137 PolarHBondContact O-N 3.08Å; S134-G137 PolarHBondContact O-N 2.96Å; I135-G137 VanDerWaalsContact C-N 3.3Å; I135-G137 PolarHBondContact O-N 3.09Å; G137-V139 PolarHBondContact O-N 3.07Å; G137-N140 WeakPolarHBondContact O-CB 3.38Å; G137-N140 PolarHBondContact O-N 3.48Å; G137-N140 VanDerWaalsContact O-N 3.16Å; G137-F141 WeakPolarHBondContact O-CD2 3.36Å; G137-F141 PolarHBondContact O-N 2.84Å |
| 138 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S134 I135 N140 F141 I142 A169 L172 L173 | S134-A138 WeakPolarHBondContact O-CB 3.19Å; S134-A138 PolarHBondContact O-N 3.14Å; I135-A138 PolarHBondContact O-N 2.94Å; A138-N140 VanDerWaalsContact C-N 3.26Å; A138-N140 PolarHBondContact O-N 3.25Å; A138-F141 PolarHBondContact O-N 2.91Å; A138-I142 VanDerWaalsContact O-CG1 3.3Å; A138-I142 WeakPolarHBondContact O-CG1 3.28Å; A138-I142 PolarHBondContact O-N 2.85Å; A138-A169 HydrophobicContact CB-CB 4.04Å; A138-A169 WeakPolarHBondContact CB-O 3.26Å; A138-L172 HydrophobicContact CB-CB 4.04Å; A138-L173 HydrophobicContact CB-CB 4.44Å |
| 139 | V | 98.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 32.7 Ų | 32.7 | 29% | 0.285 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.2 | -42.1 | 176.1 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | F71 M74 I135 G137 T143 L173 | F71-V139 HydrophobicContact CE2-CG1 4.29Å; M74-V139 HydrophobicContact SD-CG1 4.45Å; I135-V139 WeakPolarHBondContact O-CG2 3.3Å; I135-V139 PolarHBondContact O-N 3.43Å; G137-V139 PolarHBondContact O-N 3.07Å; V139-T143 WeakPolarHBondContact O-CB 3.37Å; V139-T143 PolarHBondContact O-N 3.18Å; V139-T143 PolarHBondContact O-OG1 2.92Å; V139-L173 HydrophobicContact CG2-CD1 3.92Å |
| 140 | N | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -43.7 | 178.7 | -170.9 | 25.4 | 0 | 0 | 0 | 112.2 | M69 A70 F71 N75 L136 G137 A138 T143 T144 | M69-N140 WeakPolarHBondContact CB-ND2 3.42Å; M69-N140 HydrophobicContact CE-CB 4.39Å; M69-N140 WeakPolarHBondContact CE-ND2 3.34Å; A70-N140 PolarHBondContact N-OD1 3.34Å; F71-N140 HydrophobicContact CD2-CB 4.35Å; F71-N140 PolarHBondContact N-OD1 3.05Å; N75-N140 VanDerWaalsContact CB-ND2 3.32Å; N75-N140 WeakPolarHBondContact CB-ND2 3.41Å; N75-N140 VanDerWaalsContact CG-ND2 3.27Å; N75-N140 PolarHBondContact OD1-ND2 3.18Å; N75-N140 VanDerWaalsContact OD1-ND2 3.13Å; L136-N140 WeakPolarHBondContact O-CB 3.34Å; L136-N140 PolarHBondContact O-N 3.45Å; L136-N140 VanDerWaalsContact O-N 3.15Å; G137-N140 WeakPolarHBondContact O-CB 3.38Å; G137-N140 PolarHBondContact O-N 3.48Å; G137-N140 VanDerWaalsContact O-N 3.16Å; A138-N140 VanDerWaalsContact C-N 3.26Å; A138-N140 PolarHBondContact O-N 3.25Å; N140-T143 PolarHBondContact O-N 3.1Å; N140-T144 VanDerWaalsContact O-CB 3.31Å; N140-T144 WeakPolarHBondContact O-CB 3.32Å; N140-T144 PolarHBondContact O-N 2.81Å; N140-T144 PolarHBondContact O-OG1 3.3Å |
| 141 | F | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -50.8 | 175.7 | -79.6 | -62.2 | 0 | 0 | 0 | 112 | I52 G56 N57 V60 M69 G137 A138 T143 T144 V145 V165 A169 | I52-F141 HydrophobicContact CG2-CD2 4.11Å; I52-F141 HydrophobicContact CG2-CE2 3.49Å; I52-F141 VanDerWaalsContact CG2-CE2 3.49Å; I52-F141 HydrophobicContact CG2-CZ 4.28Å; I52-F141 WeakPolarHBondContact O-CZ 3.27Å; G56-F141 VanDerWaalsContact C-CE1 3.4Å; N57-F141 HydrophobicContact CB-CZ 4.43Å; N57-F141 WeakPolarHBondContact OD1-CZ 3.48Å; V60-F141 HydrophobicContact CB-CD1 4.47Å; V60-F141 HydrophobicContact CB-CE1 4.31Å; V60-F141 HydrophobicContact CG1-CD1 4.42Å; V60-F141 HydrophobicContact CG2-CD1 4.35Å; V60-F141 HydrophobicContact CG2-CE1 4.2Å; M69-F141 HydrophobicContact CE-CD1 3.44Å; M69-F141 VanDerWaalsContact CE-CD1 3.44Å; M69-F141 HydrophobicContact CE-CE1 3.52Å; M69-F141 HydrophobicContact CE-CG 4.02Å; M69-F141 HydrophobicContact CE-CZ 4.18Å; M69-F141 HydrophobicContact SD-CD1 4.45Å; M69-F141 HydrophobicContact SD-CE1 4.22Å; G137-F141 WeakPolarHBondContact O-CD2 3.36Å; G137-F141 PolarHBondContact O-N 2.84Å; A138-F141 PolarHBondContact O-N 2.91Å; F141-T143 VanDerWaalsContact C-N 3.3Å; F141-T143 PolarHBondContact O-N 3.02Å; F141-T144 PolarHBondContact O-N 3.38Å; F141-V145 WeakPolarHBondContact O-CB 3.5Å; F141-V145 VanDerWaalsContact O-CG2 3.26Å; F141-V145 WeakPolarHBondContact O-CG2 3.39Å; F141-V145 PolarHBondContact O-N 2.94Å; F141-V165 HydrophobicContact CB-CG1 4.39Å; F141-V165 HydrophobicContact CD1-CG1 3.65Å; F141-V165 HydrophobicContact CD2-CG1 4.33Å; F141-V165 HydrophobicContact CE1-CG1 4.02Å; F141-V165 HydrophobicContact CG-CG1 3.87Å; F141-A169 HydrophobicContact CB-CB 3.97Å |
| 142 | I | 98.6 | Very high | 97.4 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 12% | 0.123 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.1 | -48.6 | 178.7 | -68.2 | 162.8 | 0 | 0 | 0 | 109.9 | A138 T144 V145 I146 V166 A169 L170 L173 | A138-I142 VanDerWaalsContact O-CG1 3.3Å; A138-I142 WeakPolarHBondContact O-CG1 3.28Å; A138-I142 PolarHBondContact O-N 2.85Å; I142-T144 PolarHBondContact O-N 2.9Å; I142-V145 PolarHBondContact O-N 3.5Å; I142-I146 HydrophobicContact CG2-CD1 3.64Å; I142-I146 HydrophobicContact CG2-CG1 4.49Å; I142-I146 WeakPolarHBondContact O-CB 3.41Å; I142-I146 VanDerWaalsContact O-CG1 3.27Å; I142-I146 WeakPolarHBondContact O-CG1 3.16Å; I142-I146 PolarHBondContact O-N 2.94Å; I142-V166 HydrophobicContact CG1-CG2 4.43Å; I142-A169 HydrophobicContact CD1-CB 4.17Å; I142-A169 HydrophobicContact CG1-CB 3.81Å; I142-L170 HydrophobicContact CD1-CD2 3.81Å; I142-L170 HydrophobicContact CD1-CG 4.25Å; I142-L170 HydrophobicContact CG1-CD2 4.31Å; I142-L170 HydrophobicContact CG1-CG 4.46Å; I142-L173 HydrophobicContact CD1-CD2 3.91Å |
| 143 | T | 98.6 | Very high | 97.2 | Very high | 32 Ų | 32 | 41 Ų | 41 | 20% | 0.196 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | -178.7 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | A70 F71 V139 N140 F141 I146 N147 | A70-T143 HydrophobicContact CB-CG2 3.72Å; F71-T143 HydrophobicContact CE2-CG2 3.69Å; F71-T143 WeakPolarHBondContact CE2-OG1 3.37Å; F71-T143 HydrophobicContact CZ-CG2 3.73Å; V139-T143 WeakPolarHBondContact O-CB 3.37Å; V139-T143 PolarHBondContact O-N 3.18Å; V139-T143 PolarHBondContact O-OG1 2.92Å; N140-T143 PolarHBondContact O-N 3.1Å; F141-T143 VanDerWaalsContact C-N 3.3Å; F141-T143 PolarHBondContact O-N 3.02Å; T143-I146 PolarHBondContact O-N 2.87Å; T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 2.74Å; T143-N147 PolarHBondContact O-ND2 3.44Å |
| 144 | T | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -50.2 | 178.4 | -56 | 0 | 0 | 0 | 0 | 110.6 | M69 A70 N140 F141 I142 I146 N147 M148 | M69-T144 HydrophobicContact CE-CG2 4.5Å; M69-T144 HydrophobicContact SD-CG2 4Å; A70-T144 WeakPolarHBondContact CB-OG1 3.32Å; A70-T144 PolarHBondContact N-OG1 3.33Å; N140-T144 VanDerWaalsContact O-CB 3.31Å; N140-T144 WeakPolarHBondContact O-CB 3.32Å; N140-T144 PolarHBondContact O-N 2.81Å; N140-T144 PolarHBondContact O-OG1 3.3Å; F141-T144 PolarHBondContact O-N 3.38Å; I142-T144 PolarHBondContact O-N 2.9Å; T144-I146 VanDerWaalsContact C-N 3.32Å; T144-I146 PolarHBondContact O-N 2.99Å; T144-N147 PolarHBondContact O-N 2.92Å; T144-M148 HydrophobicContact CG2-CB 4.27Å; T144-M148 HydrophobicContact CG2-SD 4.14Å; T144-M148 WeakPolarHBondContact O-CB 3.23Å; T144-M148 PolarHBondContact O-N 3.22Å |
| 145 | V | 98.2 | Very high | 96.9 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | -178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | V60 L64 F141 I142 R149 M158 V162 V166 | V60-V145 HydrophobicContact CG1-CG2 3.89Å; L64-V145 HydrophobicContact CD1-CB 4.41Å; L64-V145 HydrophobicContact CD1-CG2 4.09Å; F141-V145 WeakPolarHBondContact O-CB 3.5Å; F141-V145 VanDerWaalsContact O-CG2 3.26Å; F141-V145 WeakPolarHBondContact O-CG2 3.39Å; F141-V145 PolarHBondContact O-N 2.94Å; I142-V145 PolarHBondContact O-N 3.5Å; V145-R149 WeakPolarHBondContact O-CD 3.28Å; V145-R149 WeakPolarHBondContact O-CG 3.35Å; V145-R149 PolarHBondContact O-NH1 2.93Å; V145-M158 HydrophobicContact CG1-CE 4.1Å; V145-M158 HydrophobicContact CG1-SD 3.74Å; V145-V162 HydrophobicContact CG1-CG1 4.06Å; V145-V162 HydrophobicContact CG2-CG1 3.82Å; V145-V166 HydrophobicContact CB-CB 4.44Å; V145-V166 HydrophobicContact CB-CG2 4.21Å; V145-V166 HydrophobicContact CG1-CB 4.13Å; V145-V166 HydrophobicContact CG1-CG1 4.48Å; V145-V166 HydrophobicContact CG1-CG2 4.08Å; V145-V166 HydrophobicContact CG2-CB 4.31Å |
| 146 | I | 97.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 47.9 Ų | 47.9 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.5 | -41.4 | -178.5 | -68.9 | 173.4 | 0 | 0 | 0 | 112.1 | I142 T143 T144 R149 | I142-I146 HydrophobicContact CG2-CD1 3.64Å; I142-I146 HydrophobicContact CG2-CG1 4.49Å; I142-I146 WeakPolarHBondContact O-CB 3.41Å; I142-I146 VanDerWaalsContact O-CG1 3.27Å; I142-I146 WeakPolarHBondContact O-CG1 3.16Å; I142-I146 PolarHBondContact O-N 2.94Å; T143-I146 PolarHBondContact O-N 2.87Å; T144-I146 VanDerWaalsContact C-N 3.32Å; T144-I146 PolarHBondContact O-N 2.99Å; I146-R149 VanDerWaalsContact C-NH1 3.29Å; I146-R149 VanDerWaalsContact CA-NH1 3.28Å; I146-R149 PolarHBondContact O-NH1 3.02Å; I146-R149 PolarHBondContact O-NH2 3.3Å |
| 147 | N | 97.4 | Very high | 96.3 | Very high | 115 Ų | 115 | 54.8 Ų | 54.8 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -109 | -21.2 | -164.5 | -62.4 | -65 | 0 | 0 | 0 | 115.5 | T143 T144 | T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 2.74Å; T143-N147 PolarHBondContact O-ND2 3.44Å; T144-N147 PolarHBondContact O-N 2.92Å |
| 148 | M | 97.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 54.7 Ų | 54.7 | 26% | 0.261 | 30% | 0.301 | S | S | . | . | trans | -109.8 | 16.6 | -168.8 | -59.1 | -174.4 | 71.1 | 0 | 0 | 114.1 | A66 P67 D68 A70 T144 | A66-M148 HydrophobicContact CB-CB 3.97Å; A66-M148 HydrophobicContact CB-CE 4.39Å; P67-M148 HydrophobicContact CG-CE 4.42Å; D68-M148 WeakPolarHBondContact O-CE 3.39Å; A70-M148 WeakPolarHBondContact CA-SD 3.34Å; A70-M148 HydrophobicContact CB-SD 3.64Å; A70-M148 PolarHBondContact N-SD 2.81Å; T144-M148 HydrophobicContact CG2-CB 4.27Å; T144-M148 HydrophobicContact CG2-SD 4.14Å; T144-M148 WeakPolarHBondContact O-CB 3.23Å; T144-M148 PolarHBondContact O-N 3.22Å | ||
| 149 | R | 96.6 | Very high | 96.2 | Very high | 72 Ų | 72 | 56.3 Ų | 56.3 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 135.7 | 174.9 | -54 | -170.1 | -63.5 | -75.3 | -11.5 | 110.1 | L64 V145 I146 I153 M158 | L64-R149 HydrophobicContact CD1-CG 4.41Å; L64-R149 HydrophobicContact CD2-CG 3.86Å; V145-R149 WeakPolarHBondContact O-CD 3.28Å; V145-R149 WeakPolarHBondContact O-CG 3.35Å; V145-R149 PolarHBondContact O-NH1 2.93Å; I146-R149 VanDerWaalsContact C-NH1 3.29Å; I146-R149 VanDerWaalsContact CA-NH1 3.28Å; I146-R149 PolarHBondContact O-NH1 3.02Å; I146-R149 PolarHBondContact O-NH2 3.3Å; R149-I153 HydrophobicContact CB-CB 4.39Å; R149-I153 PolarHBondContact NE-O 3.34Å; R149-M158 WeakPolarHBondContact CD-SD 3.22Å |
| 150 | S | 95.4 | Very high | 96.1 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60 | 151.8 | 170.7 | 56.2 | 0 | 0 | 0 | 0 | 112 | L64 G152 I153 | L64-S150 WeakPolarHBondContact O-CB 3.31Å; L64-S150 PolarHBondContact O-N 3.42Å; L64-S150 PolarHBondContact O-OG 3.46Å; S150-G152 PolarHBondContact O-N 3.25Å; S150-I153 PolarHBondContact O-N 3.07Å; S150-I153 VanDerWaalsContact O-N 3.17Å; S150-I153 WeakPolarHBondContact OG-CD1 3.29Å |
| 151 | T | 92.8 | Very high | 96.1 | Very high | 156 Ų | 156 | 54.4 Ų | 54.4 | 96% | 0.957 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 126.9 | 179.9 | -50.9 | 0 | 0 | 0 | 0 | 110.6 | ||
| 152 | G | 89.8 | Confident | 96.1 | Very high | 62 Ų | 62 | 54.3 Ų | 54.3 | 64% | 0.639 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.4 | -11.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | S150 S154 | S150-G152 PolarHBondContact O-N 3.25Å; G152-S154 PolarHBondContact O-N 3.04Å |
| 153 | I | 95.3 | Very high | 96.1 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | trans | -85.9 | 93.6 | 168.6 | -56.2 | -176.8 | 0 | 0 | 0 | 109.3 | R149 S150 M158 | R149-I153 HydrophobicContact CB-CB 4.39Å; R149-I153 PolarHBondContact NE-O 3.34Å; S150-I153 PolarHBondContact O-N 3.07Å; S150-I153 VanDerWaalsContact O-N 3.17Å; S150-I153 WeakPolarHBondContact OG-CD1 3.29Å; I153-M158 HydrophobicContact CG2-CG 3.87Å | ||
| 154 | S | 94.8 | Very high | 96.1 | Very high | 43 Ų | 43 | 53.3 Ų | 53.3 | 30% | 0.301 | 29% | 0.29 | S | S | . | . | trans | -74.1 | 162.1 | 166.7 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | G152 D156 R157 M158 | G152-S154 PolarHBondContact O-N 3.04Å; S154-D156 VanDerWaalsContact C-N 3.32Å; S154-D156 WeakPolarHBondContact CB-OD1 3.49Å; S154-D156 PolarHBondContact O-N 2.99Å; S154-D156 PolarHBondContact OG-OD1 3.44Å; S154-R157 PolarHBondContact O-N 2.88Å; S154-R157 WeakPolarHBondContact OG-CD 3.13Å; S154-R157 WeakPolarHBondContact OG-CG 3.36Å; S154-M158 PolarHBondContact O-N 3.42Å | ||
| 155 | L | 94.3 | Very high | 96.1 | Very high | 83 Ų | 83 | 53.3 Ų | 53.3 | 44% | 0.435 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -59.8 | -41.5 | -175.5 | -71.4 | 173.7 | 0 | 0 | 0 | 112.5 | R157 M158 W163 | L155-R157 PolarHBondContact O-N 2.98Å; L155-M158 HydrophobicContact CB-CE 4.4Å; L155-M158 HydrophobicContact CD2-CE 3.51Å; L155-M158 HydrophobicContact CD2-SD 3.97Å; L155-M158 PolarHBondContact O-N 3.33Å; L155-W163 HydrophobicContact CB-CZ2 4.04Å; L155-W163 VanDerWaalsContact O-CE2 3.31Å; L155-W163 VanDerWaalsContact O-CZ2 3.3Å; L155-W163 WeakPolarHBondContact O-CZ2 3.3Å; L155-W163 PolarHBondContact O-NE1 3.21Å |
| 156 | D | 93.5 | Very high | 96.1 | Very high | 92 Ų | 92 | 53.9 Ų | 53.9 | 49% | 0.492 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -64.4 | -16.4 | 176.3 | 60.8 | -54.6 | 0 | 0 | 0 | 113.7 | S154 | S154-D156 VanDerWaalsContact C-N 3.32Å; S154-D156 WeakPolarHBondContact CB-OD1 3.49Å; S154-D156 PolarHBondContact O-N 2.99Å; S154-D156 PolarHBondContact OG-OD1 3.44Å |
| 157 | R | 92.3 | Very high | 96.2 | Very high | 181 Ų | 181 | 49.8 Ų | 49.8 | 68% | 0.683 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -105.5 | 3 | 179.6 | -61.6 | -177.3 | -167.7 | -170 | 2.6 | 113.7 | S154 L155 | S154-R157 PolarHBondContact O-N 2.88Å; S154-R157 WeakPolarHBondContact OG-CD 3.13Å; S154-R157 WeakPolarHBondContact OG-CG 3.36Å; L155-R157 PolarHBondContact O-N 2.98Å |
| 158 | M | 96.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -67 | 142.9 | 174.8 | -67.2 | -170.6 | -57.4 | 0 | 0 | 110.8 | L64 V145 R149 I153 S154 L155 V162 W163 | L64-M158 HydrophobicContact CD2-CG 4.41Å; L64-M158 HydrophobicContact CD2-SD 4.25Å; V145-M158 HydrophobicContact CG1-CE 4.1Å; V145-M158 HydrophobicContact CG1-SD 3.74Å; R149-M158 WeakPolarHBondContact CD-SD 3.22Å; I153-M158 HydrophobicContact CG2-CG 3.87Å; S154-M158 PolarHBondContact O-N 3.42Å; L155-M158 HydrophobicContact CB-CE 4.4Å; L155-M158 HydrophobicContact CD2-CE 3.51Å; L155-M158 HydrophobicContact CD2-SD 3.97Å; L155-M158 PolarHBondContact O-N 3.33Å; M158-V162 HydrophobicContact SD-CG1 4.21Å; M158-W163 HydrophobicContact CE-CD2 3.84Å; M158-W163 VanDerWaalsContact CE-CE2 3.41Å; M158-W163 HydrophobicContact CE-CE3 4.36Å; M158-W163 HydrophobicContact CE-CG 4.32Å; M158-W163 HydrophobicContact CE-CH2 4.17Å; M158-W163 HydrophobicContact CE-CZ2 3.62Å |
| 159 | P | 96.6 | Very high | 96.3 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 22% | 0.221 | 23% | 0.231 | C | C | . | . | trans | -55.9 | 145.2 | 174.5 | -29.4 | 39 | 0 | 0 | 0 | 112.9 | M63 F161 V162 W163 | M63-P159 HydrophobicContact CB-CG 4.18Å; M63-P159 HydrophobicContact SD-CB 4.08Å; M63-P159 HydrophobicContact SD-CG 4.48Å; P159-F161 PolarHBondContact O-N 2.91Å; P159-V162 HydrophobicContact CB-CG2 4.24Å; P159-V162 HydrophobicContact CG-CG2 4.42Å; P159-V162 WeakPolarHBondContact O-CB 3.24Å; P159-V162 PolarHBondContact O-N 3.5Å; P159-W163 PolarHBondContact O-N 3.28Å; P159-W163 VanDerWaalsContact O-N 3.09Å | ||
| 160 | L | 97.8 | Very high | 96.4 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -33.7 | -178.1 | -70.8 | 175.2 | 0 | 0 | 0 | 113.5 | W163 S164 T244 M250 I251 M254 | L160-W163 PolarHBondContact O-N 2.9Å; L160-S164 PolarHBondContact O-N 2.93Å; L160-T244 HydrophobicContact CD1-CG2 4.07Å; L160-M250 HydrophobicContact CD1-CB 4.41Å; L160-M250 HydrophobicContact CD1-CE 4.12Å; L160-M250 HydrophobicContact CD1-SD 3.79Å; L160-M250 HydrophobicContact CD2-CB 4.02Å; L160-I251 HydrophobicContact CD2-CD1 4.39Å; L160-I251 HydrophobicContact CD2-CG1 3.69Å; L160-M254 HydrophobicContact CD2-CE 3.93Å |
| 161 | F | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 0% | 0.004 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -39.1 | 172.1 | -178.4 | -103.8 | 0 | 0 | 0 | 113.5 | F55 L59 V60 M63 P159 W163 S164 V165 P226 M230 | F55-F161 HydrophobicContact CB-CE2 4.49Å; F55-F161 HydrophobicContact CB-CZ 3.84Å; L59-F161 HydrophobicContact CB-CD1 4.22Å; L59-F161 HydrophobicContact CB-CE1 3.81Å; L59-F161 HydrophobicContact CD1-CE1 4.15Å; L59-F161 HydrophobicContact CD1-CZ 4.47Å; V60-F161 HydrophobicContact CG2-CE1 4.12Å; M63-F161 HydrophobicContact CE-CB 4.45Å; M63-F161 HydrophobicContact CE-CD1 4.28Å; M63-F161 HydrophobicContact SD-CB 4.13Å; M63-F161 HydrophobicContact SD-CD1 3.85Å; M63-F161 HydrophobicContact SD-CG 4.43Å; P159-F161 PolarHBondContact O-N 2.91Å; F161-W163 VanDerWaalsContact C-N 3.33Å; F161-S164 PolarHBondContact O-N 2.94Å; F161-S164 PolarHBondContact O-OG 3.4Å; F161-V165 HydrophobicContact CD1-CG2 4.3Å; F161-V165 HydrophobicContact CD2-CG2 4.45Å; F161-V165 HydrophobicContact CE1-CG2 3.82Å; F161-V165 HydrophobicContact CE2-CG2 4Å; F161-V165 HydrophobicContact CZ-CG2 3.66Å; F161-V165 WeakPolarHBondContact O-CG2 3.48Å; F161-V165 PolarHBondContact O-N 3.15Å; F161-P226 HydrophobicContact CE2-CB 4.31Å; F161-M230 HydrophobicContact CD2-CG 3.51Å; F161-M230 HydrophobicContact CE2-CG 3.5Å; F161-M230 VanDerWaalsContact CE2-CG 3.5Å; F161-M230 HydrophobicContact CE2-SD 4.19Å |
| 162 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.1 | -39.2 | 176.6 | 178.7 | 0 | 0 | 0 | 0 | 110.3 | V60 M63 L64 V145 M158 P159 V165 V166 | V60-V162 HydrophobicContact CG1-CG1 4.37Å; M63-V162 HydrophobicContact CB-CG2 3.66Å; M63-V162 HydrophobicContact CG-CG2 4.47Å; M63-V162 HydrophobicContact SD-CG2 4.02Å; L64-V162 HydrophobicContact CD1-CG1 4.32Å; L64-V162 HydrophobicContact CD2-CG1 3.9Å; L64-V162 HydrophobicContact CD2-CG2 4.4Å; L64-V162 HydrophobicContact CG-CG1 4.24Å; L64-V162 HydrophobicContact CG-CG2 4.48Å; V145-V162 HydrophobicContact CG1-CG1 4.06Å; V145-V162 HydrophobicContact CG2-CG1 3.82Å; M158-V162 HydrophobicContact SD-CG1 4.21Å; P159-V162 HydrophobicContact CB-CG2 4.24Å; P159-V162 HydrophobicContact CG-CG2 4.42Å; P159-V162 WeakPolarHBondContact O-CB 3.24Å; P159-V162 PolarHBondContact O-N 3.5Å; V162-V165 PolarHBondContact O-N 3.34Å; V162-V166 PolarHBondContact O-N 3.42Å |
| 163 | W | 98.4 | Very high | 97.2 | Very high | 35 Ų | 35 | 32.7 Ų | 32.7 | 13% | 0.133 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -45.6 | 171.5 | -91.1 | 112.3 | 0 | 0 | 0 | 112.8 | L155 M158 P159 L160 F161 V165 V166 I167 I251 M254 L255 | L155-W163 HydrophobicContact CB-CZ2 4.04Å; L155-W163 VanDerWaalsContact O-CE2 3.31Å; L155-W163 VanDerWaalsContact O-CZ2 3.3Å; L155-W163 WeakPolarHBondContact O-CZ2 3.3Å; L155-W163 PolarHBondContact O-NE1 3.21Å; M158-W163 HydrophobicContact CE-CD2 3.84Å; M158-W163 VanDerWaalsContact CE-CE2 3.41Å; M158-W163 HydrophobicContact CE-CE3 4.36Å; M158-W163 HydrophobicContact CE-CG 4.32Å; M158-W163 HydrophobicContact CE-CH2 4.17Å; M158-W163 HydrophobicContact CE-CZ2 3.62Å; P159-W163 PolarHBondContact O-N 3.28Å; P159-W163 VanDerWaalsContact O-N 3.09Å; L160-W163 PolarHBondContact O-N 2.9Å; F161-W163 VanDerWaalsContact C-N 3.33Å; W163-V165 VanDerWaalsContact C-N 3.35Å; W163-V165 PolarHBondContact O-N 3.12Å; W163-V166 HydrophobicContact CE3-CG1 3.87Å; W163-V166 HydrophobicContact CZ3-CG1 4.33Å; W163-V166 VanDerWaalsContact O-CG1 3.3Å; W163-V166 WeakPolarHBondContact O-CG1 3.16Å; W163-V166 PolarHBondContact O-N 2.57Å; W163-I167 HydrophobicContact CE3-CD1 4.49Å; W163-I167 WeakPolarHBondContact O-CD1 3.47Å; W163-I167 VanDerWaalsContact O-CG1 3.24Å; W163-I167 WeakPolarHBondContact O-CG1 3.35Å; W163-I167 PolarHBondContact O-N 3.15Å; W163-I251 HydrophobicContact CB-CG1 4.48Å; W163-I251 HydrophobicContact CD2-CG1 4.35Å; W163-I251 HydrophobicContact CD2-CG2 3.77Å; W163-I251 HydrophobicContact CE3-CG2 4.05Å; W163-I251 HydrophobicContact CG-CD1 4.23Å; W163-I251 HydrophobicContact CG-CG1 3.93Å; W163-I251 HydrophobicContact CG-CG2 4.2Å; W163-I251 HydrophobicContact CH2-CG2 4.35Å; W163-I251 HydrophobicContact CZ2-CG2 4.08Å; W163-I251 HydrophobicContact CZ3-CG2 4.34Å; W163-M254 HydrophobicContact CB-CE 3.99Å; W163-L255 HydrophobicContact CZ3-CD2 4.46Å |
| 164 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 179.6 | 70.3 | 0 | 0 | 0 | 0 | 112.3 | L160 F161 T168 L225 | L160-S164 PolarHBondContact O-N 2.93Å; F161-S164 PolarHBondContact O-N 2.94Å; F161-S164 PolarHBondContact O-OG 3.4Å; S164-T168 WeakPolarHBondContact O-CB 3.49Å; S164-T168 PolarHBondContact O-N 3.11Å; S164-T168 PolarHBondContact O-OG1 3.2Å; S164-L225 WeakPolarHBondContact CB-O 3.23Å; S164-L225 PolarHBondContact OG-O 2.84Å |
| 165 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | I52 V60 F141 F161 V162 W163 I167 T168 A169 | I52-V165 HydrophobicContact CD1-CG1 4.47Å; I52-V165 HydrophobicContact CD1-CG2 4.5Å; V60-V165 HydrophobicContact CG2-CB 4.09Å; V60-V165 HydrophobicContact CG2-CG1 3.97Å; V60-V165 HydrophobicContact CG2-CG2 4.09Å; F141-V165 HydrophobicContact CB-CG1 4.39Å; F141-V165 HydrophobicContact CD1-CG1 3.65Å; F141-V165 HydrophobicContact CD2-CG1 4.33Å; F141-V165 HydrophobicContact CE1-CG1 4.02Å; F141-V165 HydrophobicContact CG-CG1 3.87Å; F161-V165 HydrophobicContact CD1-CG2 4.3Å; F161-V165 HydrophobicContact CD2-CG2 4.45Å; F161-V165 HydrophobicContact CE1-CG2 3.82Å; F161-V165 HydrophobicContact CE2-CG2 4Å; F161-V165 HydrophobicContact CZ-CG2 3.66Å; F161-V165 WeakPolarHBondContact O-CG2 3.48Å; F161-V165 PolarHBondContact O-N 3.15Å; V162-V165 PolarHBondContact O-N 3.34Å; W163-V165 VanDerWaalsContact C-N 3.35Å; W163-V165 PolarHBondContact O-N 3.12Å; V165-I167 PolarHBondContact O-N 3.45Å; V165-T168 WeakPolarHBondContact O-CB 3.32Å; V165-T168 PolarHBondContact O-N 3.07Å; V165-A169 WeakPolarHBondContact O-CB 3.26Å; V165-A169 PolarHBondContact O-N 2.94Å |
| 166 | V | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 8% | 0.079 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.9 | -36.4 | 179.4 | 74.3 | 0 | 0 | 0 | 0 | 112.2 | I142 V145 V162 W163 A169 L170 | I142-V166 HydrophobicContact CG1-CG2 4.43Å; V145-V166 HydrophobicContact CB-CB 4.44Å; V145-V166 HydrophobicContact CB-CG2 4.21Å; V145-V166 HydrophobicContact CG1-CB 4.13Å; V145-V166 HydrophobicContact CG1-CG1 4.48Å; V145-V166 HydrophobicContact CG1-CG2 4.08Å; V145-V166 HydrophobicContact CG2-CB 4.31Å; V162-V166 PolarHBondContact O-N 3.42Å; W163-V166 HydrophobicContact CE3-CG1 3.87Å; W163-V166 HydrophobicContact CZ3-CG1 4.33Å; W163-V166 VanDerWaalsContact O-CG1 3.3Å; W163-V166 WeakPolarHBondContact O-CG1 3.16Å; W163-V166 PolarHBondContact O-N 2.57Å; V166-A169 PolarHBondContact O-N 2.76Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.83Å |
| 167 | I | 98.6 | Very high | 97.8 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -46.8 | 173.3 | -63.8 | 163.8 | 0 | 0 | 0 | 109.4 | W163 V165 A169 L170 L171 L225 M254 L255 | W163-I167 HydrophobicContact CE3-CD1 4.49Å; W163-I167 WeakPolarHBondContact O-CD1 3.47Å; W163-I167 VanDerWaalsContact O-CG1 3.24Å; W163-I167 WeakPolarHBondContact O-CG1 3.35Å; W163-I167 PolarHBondContact O-N 3.15Å; V165-I167 PolarHBondContact O-N 3.45Å; I167-A169 VanDerWaalsContact C-N 3.29Å; I167-A169 PolarHBondContact O-N 3.47Å; I167-L170 WeakPolarHBondContact O-CB 3.25Å; I167-L170 PolarHBondContact O-N 3.48Å; I167-L170 VanDerWaalsContact O-N 3.1Å; I167-L171 HydrophobicContact CG2-CG 4.5Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.24Å; I167-L225 HydrophobicContact CG2-CD1 3.85Å; I167-M254 HydrophobicContact CD1-CB 3.55Å; I167-L255 HydrophobicContact CD1-CD2 3.95Å; I167-L255 HydrophobicContact CD1-CG 4.03Å; I167-L255 HydrophobicContact CG1-CD2 3.92Å |
| 168 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.7 | -42.3 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 112 | I52 S164 V165 L170 L171 L172 I222 L225 P226 | I52-T168 HydrophobicContact CD1-CG2 3.58Å; I52-T168 HydrophobicContact CG1-CG2 4.05Å; S164-T168 WeakPolarHBondContact O-CB 3.49Å; S164-T168 PolarHBondContact O-N 3.11Å; S164-T168 PolarHBondContact O-OG1 3.2Å; V165-T168 WeakPolarHBondContact O-CB 3.32Å; V165-T168 PolarHBondContact O-N 3.07Å; T168-L170 PolarHBondContact O-N 2.77Å; T168-L171 PolarHBondContact O-N 3.06Å; T168-L172 HydrophobicContact CG2-CD1 4.2Å; T168-L172 WeakPolarHBondContact O-CG 3.28Å; T168-L172 PolarHBondContact O-N 3.47Å; T168-I222 HydrophobicContact CG2-CB 3.93Å; T168-I222 HydrophobicContact CG2-CG1 3.96Å; T168-I222 HydrophobicContact CG2-CG2 3.6Å; T168-L225 WeakPolarHBondContact OG1-CB 3.17Å; T168-P226 HydrophobicContact CG2-CG 4.28Å; T168-P226 WeakPolarHBondContact OG1-CD 3.32Å |
| 169 | A | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A138 F141 I142 V165 V166 I167 L172 L173 | A138-A169 HydrophobicContact CB-CB 4.04Å; A138-A169 WeakPolarHBondContact CB-O 3.26Å; F141-A169 HydrophobicContact CB-CB 3.97Å; I142-A169 HydrophobicContact CD1-CB 4.17Å; I142-A169 HydrophobicContact CG1-CB 3.81Å; V165-A169 WeakPolarHBondContact O-CB 3.26Å; V165-A169 PolarHBondContact O-N 2.94Å; V166-A169 PolarHBondContact O-N 2.76Å; I167-A169 VanDerWaalsContact C-N 3.29Å; I167-A169 PolarHBondContact O-N 3.47Å; A169-L172 PolarHBondContact O-N 3.11Å; A169-L173 WeakPolarHBondContact O-CB 3.11Å; A169-L173 PolarHBondContact O-N 2.95Å |
| 170 | L | 98.7 | Very high | 98.3 | Very high | 78 Ų | 78 | 22 Ų | 22 | 41% | 0.408 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 174.2 | -71.2 | 167.7 | 0 | 0 | 0 | 111.8 | I142 V166 I167 T168 L173 L174 | I142-L170 HydrophobicContact CD1-CD2 3.81Å; I142-L170 HydrophobicContact CD1-CG 4.25Å; I142-L170 HydrophobicContact CG1-CD2 4.31Å; I142-L170 HydrophobicContact CG1-CG 4.46Å; V166-L170 WeakPolarHBondContact O-CG 3.3Å; V166-L170 PolarHBondContact O-N 2.83Å; I167-L170 WeakPolarHBondContact O-CB 3.25Å; I167-L170 PolarHBondContact O-N 3.48Å; I167-L170 VanDerWaalsContact O-N 3.1Å; T168-L170 PolarHBondContact O-N 2.77Å; L170-L173 PolarHBondContact O-N 2.92Å; L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.36Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-L174 VanDerWaalsContact O-N 3.15Å |
| 171 | L | 98.4 | Very high | 98.4 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -49.4 | 175.6 | -62.1 | -175.1 | 0 | 0 | 0 | 110.7 | I167 T168 L173 L174 S175 I222 L225 G258 F262 | I167-L171 HydrophobicContact CG2-CG 4.5Å; I167-L171 WeakPolarHBondContact O-CG 3.48Å; I167-L171 PolarHBondContact O-N 3.24Å; T168-L171 PolarHBondContact O-N 3.06Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.36Å; L171-L174 PolarHBondContact O-N 3.07Å; L171-S175 VanDerWaalsContact O-CB 3.28Å; L171-S175 WeakPolarHBondContact O-CB 3.49Å; L171-S175 PolarHBondContact O-N 3.46Å; L171-S175 PolarHBondContact O-OG 3.12Å; L171-I222 HydrophobicContact CB-CD1 3.71Å; L171-I222 HydrophobicContact CB-CG1 3.57Å; L171-I222 HydrophobicContact CD1-CG1 3.99Å; L171-I222 HydrophobicContact CG-CG1 4.41Å; L171-L225 HydrophobicContact CD1-CD1 3.62Å; L171-G258 WeakPolarHBondContact CD2-O 3.43Å; L171-F262 HydrophobicContact CD2-CD2 4.09Å; L171-F262 HydrophobicContact CD2-CE2 3.39Å; L171-F262 HydrophobicContact CD2-CZ 4.18Å |
| 172 | L | 98.2 | Very high | 98.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 179 | -78 | 168.1 | 0 | 0 | 0 | 112.1 | M48 A138 T168 A169 L174 L176 I222 | M48-L172 HydrophobicContact SD-CD2 3.87Å; A138-L172 HydrophobicContact CB-CB 4.04Å; T168-L172 HydrophobicContact CG2-CD1 4.2Å; T168-L172 WeakPolarHBondContact O-CG 3.28Å; T168-L172 PolarHBondContact O-N 3.47Å; A169-L172 PolarHBondContact O-N 3.11Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.47Å; L172-L176 HydrophobicContact CB-CD1 4.28Å; L172-L176 HydrophobicContact CD2-CD1 3.67Å; L172-L176 HydrophobicContact CD2-CG 4.2Å; L172-L176 VanDerWaalsContact O-CB 3.3Å; L172-L176 WeakPolarHBondContact O-CB 3.44Å; L172-L176 WeakPolarHBondContact O-CG 3.18Å; L172-L176 PolarHBondContact O-N 2.58Å; L172-L176 VanDerWaalsContact O-N 3.13Å; L172-I222 HydrophobicContact CB-CD1 4.46Å; L172-I222 HydrophobicContact CD1-CG2 4.43Å; L172-I222 HydrophobicContact CD2-CD1 3.71Å; L172-I222 HydrophobicContact CD2-CG1 4.37Å; L172-I222 HydrophobicContact CD2-CG2 3.94Å; L172-I222 HydrophobicContact CG-CD1 3.77Å; L172-I222 HydrophobicContact CG-CG1 4.11Å; L172-I222 HydrophobicContact CG-CG2 4.09Å |
| 173 | L | 98.2 | Very high | 98.4 | Very high | 62 Ų | 62 | 23.2 Ų | 23.2 | 33% | 0.325 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.3 | -33.8 | -178.6 | -174.5 | 62.8 | 0 | 0 | 0 | 112.4 | I135 A138 V139 I142 A169 L170 L171 P177 | I135-L173 HydrophobicContact CG2-CD1 4.14Å; A138-L173 HydrophobicContact CB-CB 4.44Å; V139-L173 HydrophobicContact CG2-CD1 3.92Å; I142-L173 HydrophobicContact CD1-CD2 3.91Å; A169-L173 WeakPolarHBondContact O-CB 3.11Å; A169-L173 PolarHBondContact O-N 2.95Å; L170-L173 PolarHBondContact O-N 2.92Å; L171-L173 VanDerWaalsContact C-N 3.34Å; L171-L173 PolarHBondContact O-N 3.36Å; L173-P177 VanDerWaalsContact O-CD 3.32Å; L173-P177 WeakPolarHBondContact O-CD 3.23Å; L173-P177 WeakPolarHBondContact O-CG 3.37Å |
| 174 | L | 98.1 | Very high | 98.4 | Very high | 107 Ų | 107 | 24.3 Ų | 24.3 | 56% | 0.56 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -87.7 | -33.9 | -178.4 | -66.2 | 174.7 | 0 | 0 | 0 | 113.1 | L170 L171 L172 F262 | L170-L174 VanDerWaalsContact O-CG 3.31Å; L170-L174 WeakPolarHBondContact O-CG 3.36Å; L170-L174 PolarHBondContact O-N 2.9Å; L170-L174 VanDerWaalsContact O-N 3.15Å; L171-L174 PolarHBondContact O-N 3.07Å; L172-L174 VanDerWaalsContact C-N 3.28Å; L172-L174 PolarHBondContact O-N 3.47Å; L174-F262 HydrophobicContact CB-CE1 4.31Å; L174-F262 HydrophobicContact CB-CE2 4.27Å; L174-F262 HydrophobicContact CB-CZ 3.64Å; L174-F262 HydrophobicContact CD1-CE2 4.19Å; L174-F262 HydrophobicContact CD1-CZ 4.39Å |
| 175 | S | 97.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -89.5 | -41.2 | -172.8 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | L171 V178 L179 | L171-S175 VanDerWaalsContact O-CB 3.28Å; L171-S175 WeakPolarHBondContact O-CB 3.49Å; L171-S175 PolarHBondContact O-N 3.46Å; L171-S175 PolarHBondContact O-OG 3.12Å; S175-V178 WeakPolarHBondContact O-CB 3.34Å; S175-V178 PolarHBondContact O-N 3.24Å; S175-V178 VanDerWaalsContact O-N 3.11Å; S175-L179 PolarHBondContact O-N 2.93Å |
| 176 | L | 97.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 26.4 Ų | 26.4 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | -174.5 | -76.4 | 172.2 | 0 | 0 | 0 | 114.9 | S134 I135 L172 V178 L179 A180 F215 | S134-L176 VanDerWaalsContact CB-CD1 3.46Å; I135-L176 HydrophobicContact CD1-CB 3.98Å; I135-L176 HydrophobicContact CG1-CB 3.97Å; I135-L176 HydrophobicContact CG1-CD1 3.87Å; L172-L176 HydrophobicContact CB-CD1 4.28Å; L172-L176 HydrophobicContact CD2-CD1 3.67Å; L172-L176 HydrophobicContact CD2-CG 4.2Å; L172-L176 VanDerWaalsContact O-CB 3.3Å; L172-L176 WeakPolarHBondContact O-CB 3.44Å; L172-L176 WeakPolarHBondContact O-CG 3.18Å; L172-L176 PolarHBondContact O-N 2.58Å; L172-L176 VanDerWaalsContact O-N 3.13Å; L176-V178 PolarHBondContact O-N 2.92Å; L176-L179 HydrophobicContact CD2-CD2 4.34Å; L176-L179 PolarHBondContact O-N 2.85Å; L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.24Å; L176-F215 HydrophobicContact CD2-CD2 4.07Å; L176-F215 HydrophobicContact CD2-CE2 3.48Å; L176-F215 VanDerWaalsContact CD2-CE2 3.48Å; L176-F215 HydrophobicContact CD2-CZ 4.25Å; L176-F215 HydrophobicContact CG-CE2 4.27Å |
| 177 | P | 98.5 | Very high | 98.5 | Very high | 67 Ų | 67 | 27 Ų | 27 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.2 | -32.2 | 174.3 | -27.2 | 36.7 | 0 | 0 | 0 | 113.3 | L173 G181 | L173-P177 VanDerWaalsContact O-CD 3.32Å; L173-P177 WeakPolarHBondContact O-CD 3.23Å; L173-P177 WeakPolarHBondContact O-CG 3.37Å; P177-G181 PolarHBondContact O-N 2.95Å |
| 178 | V | 98.6 | Very high | 98.5 | Very high | 36 Ų | 36 | 28 Ų | 28 | 22% | 0.218 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.7 | -43.5 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 111 | S175 L176 G181 A182 L211 F214 | S175-V178 WeakPolarHBondContact O-CB 3.34Å; S175-V178 PolarHBondContact O-N 3.24Å; S175-V178 VanDerWaalsContact O-N 3.11Å; L176-V178 PolarHBondContact O-N 2.92Å; V178-G181 PolarHBondContact O-N 3.48Å; V178-A182 PolarHBondContact O-N 3.27Å; V178-L211 HydrophobicContact CG1-CB 4.21Å; V178-L211 HydrophobicContact CG1-CD2 3.9Å; V178-L211 WeakPolarHBondContact CG1-O 3.41Å; V178-F214 HydrophobicContact CB-CD1 4Å; V178-F214 HydrophobicContact CG1-CB 4.37Å; V178-F214 HydrophobicContact CG1-CD1 3.89Å; V178-F214 HydrophobicContact CG1-CG 4.48Å; V178-F214 HydrophobicContact CG2-CD1 3.69Å; V178-F214 HydrophobicContact CG2-CE1 3.78Å |
| 179 | L | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 171.9 | 176.9 | 67.5 | 0 | 0 | 0 | 110.9 | S175 L176 G181 A182 I183 F212 F215 | S175-L179 PolarHBondContact O-N 2.93Å; L176-L179 HydrophobicContact CD2-CD2 4.34Å; L176-L179 PolarHBondContact O-N 2.85Å; L179-G181 PolarHBondContact O-N 3.41Å; L179-A182 WeakPolarHBondContact O-CB 3.26Å; L179-A182 PolarHBondContact O-N 3.33Å; L179-I183 HydrophobicContact CD1-CG2 3.91Å; L179-I183 HydrophobicContact CG-CD1 4.49Å; L179-I183 HydrophobicContact CG-CG2 4.45Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 2.91Å; L179-F212 HydrophobicContact CD1-CD2 3.93Å; L179-F212 HydrophobicContact CD1-CE2 4.1Å; L179-F215 HydrophobicContact CB-CB 3.9Å; L179-F215 HydrophobicContact CB-CD1 3.87Å; L179-F215 HydrophobicContact CB-CD2 3.94Å; L179-F215 HydrophobicContact CB-CE1 4.45Å; L179-F215 HydrophobicContact CB-CG 3.6Å; L179-F215 HydrophobicContact CD1-CD1 3.8Å; L179-F215 HydrophobicContact CD1-CE1 4.15Å; L179-F215 HydrophobicContact CD1-CG 4.4Å; L179-F215 HydrophobicContact CD2-CD1 3.91Å; L179-F215 HydrophobicContact CD2-CD2 4.35Å; L179-F215 HydrophobicContact CD2-CE1 3.64Å; L179-F215 HydrophobicContact CD2-CE2 4.11Å; L179-F215 HydrophobicContact CD2-CG 4.26Å; L179-F215 HydrophobicContact CD2-CZ 3.74Å; L179-F215 HydrophobicContact CG-CD1 4.06Å; L179-F215 HydrophobicContact CG-CE1 4.28Å; L179-F215 HydrophobicContact CG-CG 4.29Å |
| 180 | A | 98.6 | Very high | 98.4 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 26% | 0.256 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56 | -41.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L176 T184 | L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.24Å; A180-T184 WeakPolarHBondContact O-CB 3.32Å; A180-T184 PolarHBondContact O-N 2.94Å; A180-T184 PolarHBondContact O-OG1 2.97Å |
| 181 | G | 98.8 | Very high | 98.4 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.8 | -49.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | P177 V178 L179 I183 T184 M185 | P177-G181 PolarHBondContact O-N 2.95Å; V178-G181 PolarHBondContact O-N 3.48Å; L179-G181 PolarHBondContact O-N 3.41Å; G181-I183 PolarHBondContact O-N 3.08Å; G181-T184 PolarHBondContact O-N 2.94Å; G181-M185 WeakPolarHBondContact O-CE 3.38Å; G181-M185 WeakPolarHBondContact O-CG 3.35Å; G181-M185 PolarHBondContact O-N 3.35Å |
| 182 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.2 | -50.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V178 L179 T184 M185 L186 Y208 L211 | V178-A182 PolarHBondContact O-N 3.27Å; L179-A182 WeakPolarHBondContact O-CB 3.26Å; L179-A182 PolarHBondContact O-N 3.33Å; A182-T184 VanDerWaalsContact C-N 3.35Å; A182-M185 PolarHBondContact O-N 2.73Å; A182-L186 PolarHBondContact O-N 3.37Å; A182-Y208 HydrophobicContact CB-CD2 4.45Å; A182-Y208 HydrophobicContact CB-CE2 4.25Å; A182-L211 HydrophobicContact CB-CB 3.73Å; A182-L211 HydrophobicContact CB-CD1 4.11Å |
| 183 | I | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74.8 | -25.2 | -178.3 | 66.1 | 176.3 | 0 | 0 | 0 | 112.3 | I124 L127 H128 L179 G181 L187 | I124-I183 HydrophobicContact CG1-CB 4.34Å; I124-I183 HydrophobicContact CG2-CB 4.05Å; I124-I183 HydrophobicContact CG2-CD1 4.23Å; I124-I183 HydrophobicContact CG2-CG1 4.16Å; L127-I183 HydrophobicContact CB-CD1 3.84Å; H128-I183 VanDerWaalsContact CE1-CG1 3.43Å; H128-I183 WeakPolarHBondContact CE1-CG1 3.41Å; L179-I183 HydrophobicContact CD1-CG2 3.91Å; L179-I183 HydrophobicContact CG-CD1 4.49Å; L179-I183 HydrophobicContact CG-CG2 4.45Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 2.91Å; G181-I183 PolarHBondContact O-N 3.08Å; I183-L187 WeakPolarHBondContact O-CB 3.35Å; I183-L187 PolarHBondContact O-N 3.28Å |
| 184 | T | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 43.3 Ų | 43.3 | 36% | 0.362 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69.1 | -46.9 | 169.4 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | H128 A180 G181 A182 L186 L187 T188 | H128-T184 PolarHBondContact NE2-OG1 3.02Å; A180-T184 WeakPolarHBondContact O-CB 3.32Å; A180-T184 PolarHBondContact O-N 2.94Å; A180-T184 PolarHBondContact O-OG1 2.97Å; G181-T184 PolarHBondContact O-N 2.94Å; A182-T184 VanDerWaalsContact C-N 3.35Å; T184-L186 PolarHBondContact O-N 2.74Å; T184-L187 WeakPolarHBondContact O-CB 3.43Å; T184-L187 PolarHBondContact O-N 2.96Å; T184-L187 VanDerWaalsContact O-N 3.08Å; T184-T188 WeakPolarHBondContact O-CG2 3.23Å; T184-T188 PolarHBondContact O-N 2.91Å; T184-T188 PolarHBondContact O-OG1 3.07Å |
| 185 | M | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 21% | 0.207 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -39.3 | 174.6 | -75.4 | -176.9 | -77.2 | 0 | 0 | 111.2 | G181 A182 T188 D189 F196 F197 L211 | G181-M185 WeakPolarHBondContact O-CE 3.38Å; G181-M185 WeakPolarHBondContact O-CG 3.35Å; G181-M185 PolarHBondContact O-N 3.35Å; A182-M185 PolarHBondContact O-N 2.73Å; M185-T188 PolarHBondContact O-N 3.16Å; M185-T188 PolarHBondContact O-OG1 3.27Å; M185-D189 PolarHBondContact O-N 3.37Å; M185-F196 HydrophobicContact CB-CB 4.15Å; M185-F196 HydrophobicContact CB-CD1 4.49Å; M185-F196 HydrophobicContact CB-CD2 3.7Å; M185-F196 HydrophobicContact CB-CE2 4.2Å; M185-F196 HydrophobicContact CB-CG 3.87Å; M185-F196 HydrophobicContact CG-CD1 4.01Å; M185-F196 HydrophobicContact CG-CD2 3.76Å; M185-F196 HydrophobicContact CG-CE1 4.07Å; M185-F196 HydrophobicContact CG-CE2 3.84Å; M185-F196 HydrophobicContact CG-CG 3.86Å; M185-F196 HydrophobicContact CG-CZ 4Å; M185-F196 HydrophobicContact SD-CB 4.44Å; M185-F196 HydrophobicContact SD-CD1 3.54Å; M185-F196 VanDerWaalsContact SD-CD1 3.54Å; M185-F196 HydrophobicContact SD-CD2 4.38Å; M185-F196 HydrophobicContact SD-CE1 3.77Å; M185-F196 HydrophobicContact SD-CG 3.88Å; M185-F196 HydrophobicContact SD-CZ 4.3Å; M185-F197 HydrophobicContact CB-CE2 3.63Å; M185-F197 HydrophobicContact CB-CZ 3.7Å; M185-F197 HydrophobicContact CE-CZ 4.28Å; M185-F197 HydrophobicContact SD-CZ 4.44Å; M185-L211 HydrophobicContact CE-CD1 3.34Å |
| 186 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 175.5 | 178.1 | 62.8 | 0 | 0 | 0 | 111.2 | V105 P107 S110 I124 A182 T184 T188 D189 R190 F197 Y208 | V105-L186 HydrophobicContact CG1-CD2 3.79Å; P107-L186 HydrophobicContact CB-CD1 4.14Å; P107-L186 HydrophobicContact CG-CD1 4.43Å; S110-L186 WeakPolarHBondContact OG-CD2 3.31Å; I124-L186 HydrophobicContact CD1-CD2 4.04Å; I124-L186 HydrophobicContact CD1-CG 4.18Å; A182-L186 PolarHBondContact O-N 3.37Å; T184-L186 PolarHBondContact O-N 2.74Å; L186-T188 VanDerWaalsContact C-N 3.29Å; L186-T188 PolarHBondContact O-N 2.83Å; L186-D189 PolarHBondContact O-N 3.44Å; L186-R190 HydrophobicContact CD1-CG 4.39Å; L186-R190 WeakPolarHBondContact O-CB 3.47Å; L186-R190 VanDerWaalsContact O-CG 3.23Å; L186-R190 WeakPolarHBondContact O-CG 3.33Å; L186-R190 PolarHBondContact O-N 3.45Å; L186-F197 HydrophobicContact CB-CD2 4.32Å; L186-F197 HydrophobicContact CB-CE2 4.01Å; L186-F197 HydrophobicContact CD1-CD2 4.37Å; L186-Y208 HydrophobicContact CB-CE2 4.2Å; L186-Y208 HydrophobicContact CD2-CE2 3.98Å |
| 187 | L | 98.7 | Very high | 98.3 | Very high | 27 Ų | 27 | 44.8 Ų | 44.8 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.9 | -38.8 | 176.7 | -171.1 | 69.5 | 0 | 0 | 0 | 111.7 | D121 I124 F125 I183 T184 R190 N191 | D121-L187 HydrophobicContact CB-CD1 3.85Å; D121-L187 VanDerWaalsContact OD1-CD1 3.31Å; D121-L187 WeakPolarHBondContact OD1-CD1 3.49Å; I124-L187 HydrophobicContact CD1-CB 4.25Å; I124-L187 HydrophobicContact CD1-CD1 4.19Å; I124-L187 HydrophobicContact CG2-CB 4.24Å; I124-L187 HydrophobicContact CG2-CD1 4.33Å; I124-L187 HydrophobicContact CG2-CD2 4.34Å; F125-L187 HydrophobicContact CE1-CD2 3.76Å; F125-L187 HydrophobicContact CZ-CD1 4.48Å; F125-L187 HydrophobicContact CZ-CD2 3.89Å; I183-L187 WeakPolarHBondContact O-CB 3.35Å; I183-L187 PolarHBondContact O-N 3.28Å; T184-L187 WeakPolarHBondContact O-CB 3.43Å; T184-L187 PolarHBondContact O-N 2.96Å; T184-L187 VanDerWaalsContact O-N 3.08Å; L187-R190 PolarHBondContact O-N 3.47Å; L187-N191 WeakPolarHBondContact CD1-ND2 3.36Å; L187-N191 WeakPolarHBondContact O-CB 3.39Å; L187-N191 PolarHBondContact O-N 2.94Å; L187-N191 PolarHBondContact O-ND2 3.22Å |
| 188 | T | 98.5 | Very high | 98.3 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.16 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.2 | -35.6 | 176.4 | 62.1 | 0 | 0 | 0 | 0 | 112.4 | T184 M185 L186 R190 N191 L192 N193 T194 | T184-T188 WeakPolarHBondContact O-CG2 3.23Å; T184-T188 PolarHBondContact O-N 2.91Å; T184-T188 PolarHBondContact O-OG1 3.07Å; M185-T188 PolarHBondContact O-N 3.16Å; M185-T188 PolarHBondContact O-OG1 3.27Å; L186-T188 VanDerWaalsContact C-N 3.29Å; L186-T188 PolarHBondContact O-N 2.83Å; T188-R190 PolarHBondContact O-N 3.49Å; T188-N191 PolarHBondContact O-N 2.97Å; T188-L192 HydrophobicContact CG2-CD1 3.85Å; T188-L192 CarbonylContact O-C 3.52Å; T188-L192 WeakPolarHBondContact O-CA 3.43Å; T188-L192 PolarHBondContact O-N 2.78Å; T188-N193 PolarHBondContact O-N 2.99Å; T188-T194 VanDerWaalsContact CB-OG1 3.31Å; T188-T194 WeakPolarHBondContact CB-OG1 3.29Å; T188-T194 PolarHBondContact O-OG1 3Å; T188-T194 PolarHBondContact OG1-OG1 3.17Å |
| 189 | D | 98.4 | Very high | 98.2 | Very high | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.144 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 173.4 | -83.3 | 13 | 0 | 0 | 0 | 110.7 | M185 L186 T194 S195 F196 F197 | M185-D189 PolarHBondContact O-N 3.37Å; L186-D189 PolarHBondContact O-N 3.44Å; D189-T194 WeakPolarHBondContact CA-OG1 3.3Å; D189-T194 PolarHBondContact N-OG1 3.5Å; D189-T194 WeakPolarHBondContact OD1-CB 3.38Å; D189-T194 PolarHBondContact OD1-OG1 3.05Å; D189-S195 WeakPolarHBondContact OD1-CA 3.36Å; D189-S195 PolarHBondContact OD1-N 3.32Å; D189-S195 VanDerWaalsContact OD1-N 3.12Å; D189-F196 VanDerWaalsContact CG-N 3.32Å; D189-F196 WeakPolarHBondContact OD1-CD2 3.34Å; D189-F196 PolarHBondContact OD1-N 3.32Å; D189-F196 PolarHBondContact OD2-N 3.07Å; D189-F197 PolarHBondContact OD2-N 3.43Å |
| 190 | R | 97.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 51.2 Ų | 51.2 | 11% | 0.109 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -71.4 | -38.7 | 177.1 | -70.5 | 172.6 | 59 | 65.8 | 15.1 | 113.7 | S110 H115 G117 D121 L186 L187 T188 | S110-R190 WeakPolarHBondContact O-CD 3.27Å; S110-R190 PolarHBondContact O-NH1 2.89Å; H115-R190 PolarHBondContact O-NH1 3.44Å; H115-R190 PolarHBondContact O-NH2 3.06Å; H115-R190 VanDerWaalsContact O-NH2 3.16Å; G117-R190 PolarHBondContact O-NH2 3.13Å; D121-R190 IonicContact OD1-CZ 3.56Å; D121-R190 IonicContact OD1-NE 2.76Å; D121-R190 PolarHBondContact OD1-NE 3.4Å; D121-R190 IonicContact OD1-NH2 3.48Å; D121-R190 PolarHBondContact OD1-NH2 3.18Å; D121-R190 IonicContact OD2-NE 3.97Å; D121-R190 IonicContact OD2-NH2 3.27Å; D121-R190 PolarHBondContact OD2-NH2 3.39Å; L186-R190 HydrophobicContact CD1-CG 4.39Å; L186-R190 WeakPolarHBondContact O-CB 3.47Å; L186-R190 VanDerWaalsContact O-CG 3.23Å; L186-R190 WeakPolarHBondContact O-CG 3.33Å; L186-R190 PolarHBondContact O-N 3.45Å; L187-R190 PolarHBondContact O-N 3.47Å; T188-R190 PolarHBondContact O-N 3.49Å |
| 191 | N | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -120.5 | -20.3 | -163.4 | -64.7 | -78.4 | 0 | 0 | 0 | 115.3 | D121 L187 T188 | D121-N191 PolarHBondContact OD1-ND2 3.31Å; L187-N191 WeakPolarHBondContact CD1-ND2 3.36Å; L187-N191 WeakPolarHBondContact O-CB 3.39Å; L187-N191 PolarHBondContact O-N 2.94Å; L187-N191 PolarHBondContact O-ND2 3.22Å; T188-N191 PolarHBondContact O-N 2.97Å |
| 192 | L | 97.9 | Very high | 97.8 | Very high | 123 Ų | 123 | 53.9 Ų | 53.9 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -121.5 | 14.1 | -172.4 | -58.4 | -177.1 | 0 | 0 | 0 | 113.3 | T188 T194 | T188-L192 HydrophobicContact CG2-CD1 3.85Å; T188-L192 CarbonylContact O-C 3.52Å; T188-L192 WeakPolarHBondContact O-CA 3.43Å; T188-L192 PolarHBondContact O-N 2.78Å; L192-T194 PolarHBondContact O-N 2.6Å |
| 193 | N | 96.1 | Very high | 97.8 | Very high | 158 Ų | 158 | 54.6 Ų | 54.6 | 85% | 0.845 | 34% | 0.342 | S | S | * | . | trans | 55.1 | 32.8 | 180 | -55.9 | -52.5 | 0 | 0 | 0 | 113.8 | T188 | T188-N193 PolarHBondContact O-N 2.99Š| ||
| 194 | T | 98.1 | Very high | 97.8 | Very high | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | trans | -78.7 | 168.7 | 164.6 | 63.4 | 0 | 0 | 0 | 0 | 110.1 | T188 D189 L192 F196 | T188-T194 VanDerWaalsContact CB-OG1 3.31Å; T188-T194 WeakPolarHBondContact CB-OG1 3.29Å; T188-T194 PolarHBondContact O-OG1 3Å; T188-T194 PolarHBondContact OG1-OG1 3.17Å; D189-T194 WeakPolarHBondContact CA-OG1 3.3Å; D189-T194 PolarHBondContact N-OG1 3.5Å; D189-T194 WeakPolarHBondContact OD1-CB 3.38Å; D189-T194 PolarHBondContact OD1-OG1 3.05Å; L192-T194 PolarHBondContact O-N 2.6Å; T194-F196 HydrophobicContact CG2-CE2 4.27Å | ||
| 195 | S | 97.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 56.3 Ų | 56.3 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | trans | -140.1 | 51 | -177.8 | 60.7 | 0 | 0 | 0 | 0 | 112.3 | D189 F197 G201 G203 | D189-S195 WeakPolarHBondContact OD1-CA 3.36Å; D189-S195 PolarHBondContact OD1-N 3.32Å; D189-S195 VanDerWaalsContact OD1-N 3.12Å; S195-F197 VanDerWaalsContact C-N 3.35Å; S195-G201 PolarHBondContact OG-O 2.91Å; S195-G203 VanDerWaalsContact O-CA 3.26Å; S195-G203 WeakPolarHBondContact O-CA 3.3Å; S195-G203 PolarHBondContact O-N 3.17Å | ||
| 196 | F | 98.6 | Very high | 97.7 | Very high | 91 Ų | 91 | 56.9 Ų | 56.9 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -64.7 | -40 | 176.2 | -71.7 | -77.1 | 0 | 0 | 0 | 112.1 | M185 D189 T194 G203 D204 | M185-F196 HydrophobicContact CB-CB 4.15Å; M185-F196 HydrophobicContact CB-CD1 4.49Å; M185-F196 HydrophobicContact CB-CD2 3.7Å; M185-F196 HydrophobicContact CB-CE2 4.2Å; M185-F196 HydrophobicContact CB-CG 3.87Å; M185-F196 HydrophobicContact CG-CD1 4.01Å; M185-F196 HydrophobicContact CG-CD2 3.76Å; M185-F196 HydrophobicContact CG-CE1 4.07Å; M185-F196 HydrophobicContact CG-CE2 3.84Å; M185-F196 HydrophobicContact CG-CG 3.86Å; M185-F196 HydrophobicContact CG-CZ 4Å; M185-F196 HydrophobicContact SD-CB 4.44Å; M185-F196 HydrophobicContact SD-CD1 3.54Å; M185-F196 VanDerWaalsContact SD-CD1 3.54Å; M185-F196 HydrophobicContact SD-CD2 4.38Å; M185-F196 HydrophobicContact SD-CE1 3.77Å; M185-F196 HydrophobicContact SD-CG 3.88Å; M185-F196 HydrophobicContact SD-CZ 4.3Å; D189-F196 VanDerWaalsContact CG-N 3.32Å; D189-F196 WeakPolarHBondContact OD1-CD2 3.34Å; D189-F196 PolarHBondContact OD1-N 3.32Å; D189-F196 PolarHBondContact OD2-N 3.07Å; T194-F196 HydrophobicContact CG2-CE2 4.27Å; F196-G203 WeakPolarHBondContact O-CA 3.41Å; F196-D204 PolarHBondContact O-N 2.98Å; F196-D204 VanDerWaalsContact O-N 3.1Å |
| 197 | F | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 1% | 0.013 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -118.5 | -2.6 | -173.5 | -49 | -55.4 | 0 | 0 | 0 | 113.6 | P107 M185 L186 D189 S195 P199 P205 L207 Y208 L211 | P107-F197 HydrophobicContact CB-CB 3.95Å; P107-F197 HydrophobicContact CG-CB 3.57Å; P107-F197 HydrophobicContact CG-CD2 4.04Å; P107-F197 HydrophobicContact CG-CG 3.84Å; M185-F197 HydrophobicContact CB-CE2 3.63Å; M185-F197 HydrophobicContact CB-CZ 3.7Å; M185-F197 HydrophobicContact CE-CZ 4.28Å; M185-F197 HydrophobicContact SD-CZ 4.44Å; L186-F197 HydrophobicContact CB-CD2 4.32Å; L186-F197 HydrophobicContact CB-CE2 4.01Å; L186-F197 HydrophobicContact CD1-CD2 4.37Å; D189-F197 PolarHBondContact OD2-N 3.43Å; S195-F197 VanDerWaalsContact C-N 3.35Å; F197-P199 WeakPolarHBondContact O-CD 3.49Å; F197-P205 WeakPolarHBondContact O-CD 3.48Å; F197-P205 VanDerWaalsContact O-CG 3.28Å; F197-P205 WeakPolarHBondContact O-CG 3.4Å; F197-L207 HydrophobicContact CD1-CB 4.38Å; F197-L207 HydrophobicContact CE1-CB 4.32Å; F197-L207 HydrophobicContact CE1-CD2 4.15Å; F197-L207 HydrophobicContact CE1-CG 4.08Å; F197-Y208 HydrophobicContact CD2-CD2 4.09Å; F197-Y208 HydrophobicContact CE1-CD2 4.23Å; F197-Y208 HydrophobicContact CE1-CG 4.46Å; F197-Y208 AromaticContact CE2-CD2 3.64Å; F197-Y208 HydrophobicContact CE2-CD2 3.64Å; F197-Y208 HydrophobicContact CE2-CE2 4.48Å; F197-Y208 AromaticContact CZ-CD2 3.71Å; F197-Y208 HydrophobicContact CZ-CD2 3.71Å; F197-Y208 HydrophobicContact CZ-CG 4.38Å; F197-L211 HydrophobicContact CE1-CD1 4.25Å; F197-L211 HydrophobicContact CZ-CD1 4.29Å |
| 198 | D | 97.4 | Very high | 97.7 | Very high | 63 Ų | 63 | 59 Ų | 59 | 34% | 0.337 | 37% | 0.365 | S | S | . | . | trans | -89.5 | 113 | 177.5 | -177.8 | 3.6 | 0 | 0 | 0 | 111.7 | A200 G201 G202 G203 | D198-A200 PolarHBondContact O-N 3.36Å; D198-A200 WeakPolarHBondContact OD1-CB 3.39Å; D198-A200 PolarHBondContact OD1-N 2.72Å; D198-G201 PolarHBondContact O-N 3.49Å; D198-G202 PolarHBondContact O-N 3.47Å; D198-G203 WeakPolarHBondContact O-CA 3.35Å; D198-G203 PolarHBondContact O-N 2.91Å | ||
| 199 | P | 96.8 | Very high | 97.7 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -58 | -28.3 | 176.7 | -24.5 | 35.5 | 0 | 0 | 0 | 114.4 | F197 G201 G202 G203 P205 | F197-P199 WeakPolarHBondContact O-CD 3.49Å; P199-G201 PolarHBondContact O-N 3.36Å; P199-G202 PolarHBondContact O-N 3.35Å; P199-G202 VanDerWaalsContact O-N 3.07Å; P199-G203 WeakPolarHBondContact CA-O 3.31Å; P199-P205 HydrophobicContact CG-CG 4.09Å |
| 200 | A | 95.7 | Very high | 97.7 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 80% | 0.802 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -65.5 | -28 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D198 | D198-A200 PolarHBondContact O-N 3.36Å; D198-A200 WeakPolarHBondContact OD1-CB 3.39Å; D198-A200 PolarHBondContact OD1-N 2.72Å |
| 201 | G | 95.6 | Very high | 97.7 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -99.1 | 10 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S195 D198 P199 | S195-G201 PolarHBondContact OG-O 2.91Å; D198-G201 PolarHBondContact O-N 3.49Å; P199-G201 PolarHBondContact O-N 3.36Å |
| 202 | G | 96.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 57.9 Ų | 57.9 | 74% | 0.742 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 8.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | D198 P199 | D198-G202 PolarHBondContact O-N 3.47Å; P199-G202 PolarHBondContact O-N 3.35Å; P199-G202 VanDerWaalsContact O-N 3.07Å |
| 203 | G | 97.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 53 Ų | 53 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | trans | -77.2 | 173 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S195 F196 D198 P199 | S195-G203 VanDerWaalsContact O-CA 3.26Å; S195-G203 WeakPolarHBondContact O-CA 3.3Å; S195-G203 PolarHBondContact O-N 3.17Å; F196-G203 WeakPolarHBondContact O-CA 3.41Å; D198-G203 WeakPolarHBondContact O-CA 3.35Å; D198-G203 PolarHBondContact O-N 2.91Å; P199-G203 WeakPolarHBondContact CA-O 3.31Å | ||
| 204 | D | 98 | Very high | 97.9 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 39% | 0.385 | 30% | 0.302 | S | S | . | . | trans | -135.4 | 114.9 | -178.8 | -177.2 | 6.2 | 0 | 0 | 0 | 111.8 | F196 I206 L207 | F196-D204 PolarHBondContact O-N 2.98Å; F196-D204 VanDerWaalsContact O-N 3.1Å; D204-I206 PolarHBondContact O-N 3.44Å; D204-I206 WeakPolarHBondContact OD1-CB 3.42Å; D204-I206 PolarHBondContact OD1-N 3.47Å; D204-L207 HydrophobicContact CB-CB 4.27Å; D204-L207 VanDerWaalsContact O-CB 3.23Å; D204-L207 WeakPolarHBondContact O-CB 3.49Å; D204-L207 PolarHBondContact O-N 3.4Å | ||
| 205 | P | 97.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 46.1 Ų | 46.1 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.7 | -25.9 | 172.5 | -24.1 | 32.7 | 0 | 0 | 0 | 114.2 | F197 P199 L207 Y208 Q209 | F197-P205 WeakPolarHBondContact O-CD 3.48Å; F197-P205 VanDerWaalsContact O-CG 3.28Å; F197-P205 WeakPolarHBondContact O-CG 3.4Å; P199-P205 HydrophobicContact CG-CG 4.09Å; P205-L207 VanDerWaalsContact C-N 3.31Å; P205-Y208 WeakPolarHBondContact O-CB 3.43Å; P205-Y208 PolarHBondContact O-N 2.86Å; P205-Q209 PolarHBondContact O-N 3.12Å |
| 206 | I | 98.3 | Very high | 97.8 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 28% | 0.277 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -70.6 | -29.8 | 177.2 | -57.8 | 176.2 | 0 | 0 | 0 | 110.7 | D204 Y208 Q209 H210 M269 V272 | D204-I206 PolarHBondContact O-N 3.44Å; D204-I206 WeakPolarHBondContact OD1-CB 3.42Å; D204-I206 PolarHBondContact OD1-N 3.47Å; I206-Y208 VanDerWaalsContact C-N 3.28Å; I206-Y208 PolarHBondContact O-N 3.5Å; I206-Q209 WeakPolarHBondContact O-CB 3.24Å; I206-Q209 PolarHBondContact O-N 3.01Å; I206-H210 PolarHBondContact O-CD2 3.39Å; I206-H210 PolarHBondContact O-N 3.37Å; I206-M269 HydrophobicContact CG2-CE 3.72Å; I206-V272 HydrophobicContact CD1-CB 4.35Å; I206-V272 HydrophobicContact CG2-CG2 4.08Å |
| 207 | L | 98.5 | Very high | 97.8 | Very high | 72 Ų | 72 | 39.9 Ų | 39.9 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.1 | -43.5 | 170.6 | 177.2 | 62.5 | 0 | 0 | 0 | 111 | F197 D204 P205 Q209 H210 L211 | F197-L207 HydrophobicContact CD1-CB 4.38Å; F197-L207 HydrophobicContact CE1-CB 4.32Å; F197-L207 HydrophobicContact CE1-CD2 4.15Å; F197-L207 HydrophobicContact CE1-CG 4.08Å; D204-L207 HydrophobicContact CB-CB 4.27Å; D204-L207 VanDerWaalsContact O-CB 3.23Å; D204-L207 WeakPolarHBondContact O-CB 3.49Å; D204-L207 PolarHBondContact O-N 3.4Å; P205-L207 VanDerWaalsContact C-N 3.31Å; L207-Q209 VanDerWaalsContact C-N 3.29Å; L207-Q209 PolarHBondContact O-N 3.21Å; L207-H210 PolarHBondContact O-N 2.93Å; L207-L211 HydrophobicContact CD1-CD1 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.09Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 3.49Å |
| 208 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -43.6 | 175.4 | -176.1 | -80.4 | 0 | 0 | 0 | 111 | T104 V105 Y106 P107 A182 L186 F197 P205 I206 H210 L211 F212 | T104-Y208 WeakPolarHBondContact O-CE1 3.33Å; T104-Y208 PolarHBondContact O-OH 3.49Å; V105-Y208 PolarHBondContact O-OH 2.86Å; Y106-Y208 AromaticContact CD1-CD1 3.56Å; Y106-Y208 HydrophobicContact CD1-CD1 3.56Å; Y106-Y208 AromaticContact CD1-CE1 3.58Å; Y106-Y208 HydrophobicContact CD1-CE1 3.58Å; Y106-Y208 HydrophobicContact CE1-CD1 4.04Å; Y106-Y208 HydrophobicContact CE1-CE1 4.07Å; P107-Y208 HydrophobicContact CG-CD2 4.08Å; P107-Y208 HydrophobicContact CG-CG 3.85Å; A182-Y208 HydrophobicContact CB-CD2 4.45Å; A182-Y208 HydrophobicContact CB-CE2 4.25Å; L186-Y208 HydrophobicContact CB-CE2 4.2Å; L186-Y208 HydrophobicContact CD2-CE2 3.98Å; F197-Y208 HydrophobicContact CD2-CD2 4.09Å; F197-Y208 HydrophobicContact CE1-CD2 4.23Å; F197-Y208 HydrophobicContact CE1-CG 4.46Å; F197-Y208 AromaticContact CE2-CD2 3.64Å; F197-Y208 HydrophobicContact CE2-CD2 3.64Å; F197-Y208 HydrophobicContact CE2-CE2 4.48Å; F197-Y208 AromaticContact CZ-CD2 3.71Å; F197-Y208 HydrophobicContact CZ-CD2 3.71Å; F197-Y208 HydrophobicContact CZ-CG 4.38Å; P205-Y208 WeakPolarHBondContact O-CB 3.43Å; P205-Y208 PolarHBondContact O-N 2.86Å; I206-Y208 VanDerWaalsContact C-N 3.28Å; I206-Y208 PolarHBondContact O-N 3.5Å; Y208-H210 PolarHBondContact O-N 3.29Å; Y208-L211 PolarHBondContact O-N 2.97Å; Y208-F212 HydrophobicContact CD1-CB 4.14Å; Y208-F212 HydrophobicContact CE1-CB 3.79Å; Y208-F212 HydrophobicContact CE1-CD2 4.04Å; Y208-F212 HydrophobicContact CE1-CG 4.13Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.16Å; Y208-F212 PolarHBondContact O-N 3.36Å |
| 209 | Q | 98.6 | Very high | 97.8 | Very high | 35 Ų | 35 | 36.9 Ų | 36.9 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 178.8 | -61 | -168.5 | 36.6 | 0 | 0 | 112.1 | Y106 P205 I206 L207 F212 W213 M269 | Y106-Q209 HydrophobicContact CD1-CG 4.22Å; Y106-Q209 HydrophobicContact CD2-CG 4.5Å; Y106-Q209 HydrophobicContact CE1-CB 4.42Å; Y106-Q209 HydrophobicContact CE1-CG 3.81Å; Y106-Q209 HydrophobicContact CE2-CG 4.13Å; P205-Q209 PolarHBondContact O-N 3.12Å; I206-Q209 WeakPolarHBondContact O-CB 3.24Å; I206-Q209 PolarHBondContact O-N 3.01Å; L207-Q209 VanDerWaalsContact C-N 3.29Å; L207-Q209 PolarHBondContact O-N 3.21Å; Q209-F212 PolarHBondContact O-N 3.17Å; Q209-W213 WeakPolarHBondContact O-CB 3.39Å; Q209-W213 VanDerWaalsContact O-CD1 3.23Å; Q209-W213 PolarHBondContact O-N 2.85Å; Q209-M269 HydrophobicContact CB-CE 3.58Å; Q209-M269 HydrophobicContact CB-CG 4.36Å; Q209-M269 HydrophobicContact CB-SD 4.01Å |
| 210 | H | 98.5 | Very high | 97.8 | Very high | 65 Ų | 65 | 35.9 Ų | 35.9 | 30% | 0.301 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.4 | -80.4 | -67.2 | 0 | 0 | 0 | 111.6 | I206 L207 Y208 F214 W265 M269 | I206-H210 PolarHBondContact O-CD2 3.39Å; I206-H210 PolarHBondContact O-N 3.37Å; L207-H210 PolarHBondContact O-N 2.93Å; Y208-H210 PolarHBondContact O-N 3.29Å; H210-F214 WeakPolarHBondContact O-CB 3.36Å; H210-F214 PolarHBondContact O-N 3.48Å; H210-W265 AromaticContact ND1-NE1 3.74Å; H210-M269 HydrophobicContact CB-CE 4.43Å; H210-M269 VanDerWaalsContact CE1-CE 3.48Å; H210-M269 WeakPolarHBondContact CE1-CE 3.26Å; H210-M269 WeakPolarHBondContact NE2-CE 3.34Å |
| 211 | L | 98.7 | Very high | 97.8 | Very high | 37 Ų | 37 | 34.4 Ų | 34.4 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | -179.6 | -63.2 | 168.1 | 0 | 0 | 0 | 111.7 | V178 A182 M185 F197 L207 Y208 F215 | V178-L211 HydrophobicContact CG1-CB 4.21Å; V178-L211 HydrophobicContact CG1-CD2 3.9Å; V178-L211 WeakPolarHBondContact CG1-O 3.41Å; A182-L211 HydrophobicContact CB-CB 3.73Å; A182-L211 HydrophobicContact CB-CD1 4.11Å; M185-L211 HydrophobicContact CE-CD1 3.34Å; F197-L211 HydrophobicContact CE1-CD1 4.25Å; F197-L211 HydrophobicContact CZ-CD1 4.29Å; L207-L211 HydrophobicContact CD1-CD1 4.3Å; L207-L211 HydrophobicContact CD1-CG 4.32Å; L207-L211 HydrophobicContact CG-CD1 4.09Å; L207-L211 WeakPolarHBondContact O-CG 3.43Å; L207-L211 PolarHBondContact O-N 3.49Å; Y208-L211 PolarHBondContact O-N 2.97Å; L211-F215 PolarHBondContact O-N 3.16Å |
| 212 | F | 98.7 | Very high | 97.9 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.5 | -47.4 | 179 | -176.4 | -88.5 | 0 | 0 | 0 | 111.1 | W103 T104 Y106 L179 Y208 Q209 F215 G216 | W103-F212 HydrophobicContact CD2-CZ 4.23Å; W103-F212 HydrophobicContact CE3-CE1 4.46Å; W103-F212 AromaticContact CE3-CZ 3.72Å; W103-F212 HydrophobicContact CE3-CZ 3.72Å; W103-F212 AromaticContact CH2-CE1 3.81Å; W103-F212 HydrophobicContact CH2-CE1 3.81Å; W103-F212 AromaticContact CH2-CZ 3.82Å; W103-F212 HydrophobicContact CH2-CZ 3.82Å; W103-F212 HydrophobicContact CZ2-CE1 4.1Å; W103-F212 HydrophobicContact CZ2-CZ 4.3Å; W103-F212 HydrophobicContact CZ3-CE1 4.01Å; W103-F212 AromaticContact CZ3-CZ 3.51Å; W103-F212 HydrophobicContact CZ3-CZ 3.51Å; T104-F212 HydrophobicContact CG2-CD1 4.31Å; T104-F212 HydrophobicContact CG2-CE1 3.69Å; T104-F212 HydrophobicContact CG2-CZ 4.05Å; Y106-F212 HydrophobicContact CE1-CD1 4.42Å; Y106-F212 HydrophobicContact CE1-CG 4.5Å; L179-F212 HydrophobicContact CD1-CD2 3.93Å; L179-F212 HydrophobicContact CD1-CE2 4.1Å; Y208-F212 HydrophobicContact CD1-CB 4.14Å; Y208-F212 HydrophobicContact CE1-CB 3.79Å; Y208-F212 HydrophobicContact CE1-CD2 4.04Å; Y208-F212 HydrophobicContact CE1-CG 4.13Å; Y208-F212 VanDerWaalsContact O-CB 3.27Å; Y208-F212 WeakPolarHBondContact O-CB 3.16Å; Y208-F212 PolarHBondContact O-N 3.36Å; Q209-F212 PolarHBondContact O-N 3.17Å; F212-F215 CarbonylContact O-C 3.59Å; F212-F215 WeakPolarHBondContact O-CB 3.31Å; F212-F215 PolarHBondContact O-N 3.37Å; F212-G216 PolarHBondContact O-N 3.21Å |
| 213 | W | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 8% | 0.083 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -76.2 | -30.1 | -177.8 | -73.3 | 126.1 | 0 | 0 | 0 | 113.7 | W103 T104 Y106 Q209 F215 G216 H217 W265 H268 M269 | W103-W213 HydrophobicContact CH2-CH2 4.39Å; W103-W213 HydrophobicContact CH2-CZ3 4.05Å; W103-W213 AromaticContact CZ2-CH2 3.7Å; W103-W213 HydrophobicContact CZ2-CH2 3.7Å; W103-W213 AromaticContact CZ2-CZ3 3.79Å; W103-W213 HydrophobicContact CZ2-CZ3 3.79Å; T104-W213 HydrophobicContact CG2-CH2 4.23Å; T104-W213 HydrophobicContact CG2-CZ2 4.05Å; Y106-W213 AromaticContact CZ-NE1 3.95Å; Y106-W213 WeakPolarHBondContact OH-CZ2 3.39Å; Y106-W213 PolarHBondContact OH-NE1 3.01Å; Q209-W213 WeakPolarHBondContact O-CB 3.39Å; Q209-W213 VanDerWaalsContact O-CD1 3.23Å; Q209-W213 PolarHBondContact O-N 2.85Å; W213-F215 CarbonylContact O-C 3.58Å; W213-F215 PolarHBondContact O-N 3.03Å; W213-G216 PolarHBondContact O-N 3.44Å; W213-H217 PolarHBondContact O-N 2.78Å; W213-W265 HydrophobicContact CB-CB 4.3Å; W213-W265 VanDerWaalsContact O-CB 3.3Å; W213-W265 WeakPolarHBondContact O-CB 3.22Å; W213-H268 HydrophobicContact CD2-CB 3.42Å; W213-H268 VanDerWaalsContact CD2-CB 3.42Å; W213-H268 AromaticContact CD2-CD2 3.55Å; W213-H268 AromaticContact CD2-CG 3.57Å; W213-H268 AromaticContact CE2-CG 3.76Å; W213-H268 HydrophobicContact CE3-CB 4Å; W213-H268 AromaticContact CE3-CD2 3.26Å; W213-H268 AromaticContact CE3-CG 3.58Å; W213-H268 AromaticContact CE3-NE2 3.55Å; W213-H268 HydrophobicContact CG-CB 3.69Å; W213-H268 HydrophobicContact CH2-CB 4.33Å; W213-H268 AromaticContact CH2-ND1 3.84Å; W213-H268 HydrophobicContact CZ2-CB 3.8Å; W213-H268 HydrophobicContact CZ3-CB 4.41Å; W213-H268 AromaticContact CZ3-CD2 3.74Å; W213-H268 AromaticContact CZ3-CE1 3.67Å; W213-H268 AromaticContact CZ3-CG 3.81Å; W213-H268 AromaticContact CZ3-ND1 3.81Å; W213-H268 AromaticContact CZ3-NE2 3.62Å; W213-M269 HydrophobicContact CG-CG 4.48Å |
| 214 | F | 98.4 | Very high | 97.7 | Very high | 61 Ų | 61 | 33.5 Ų | 33.5 | 27% | 0.268 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -56.3 | -34.1 | 169.8 | -174.7 | -87.1 | 0 | 0 | 0 | 111.2 | V178 H210 P218 F262 W265 | V178-F214 HydrophobicContact CB-CD1 4Å; V178-F214 HydrophobicContact CG1-CB 4.37Å; V178-F214 HydrophobicContact CG1-CD1 3.89Å; V178-F214 HydrophobicContact CG1-CG 4.48Å; V178-F214 HydrophobicContact CG2-CD1 3.69Å; V178-F214 HydrophobicContact CG2-CE1 3.78Å; H210-F214 WeakPolarHBondContact O-CB 3.36Å; H210-F214 PolarHBondContact O-N 3.48Å; F214-P218 WeakPolarHBondContact O-CD 3.32Å; F214-P218 VanDerWaalsContact O-CG 3.23Å; F214-P218 WeakPolarHBondContact O-CG 3.04Å; F214-F262 AromaticContact CE1-CD1 3.9Å; F214-F262 HydrophobicContact CE1-CD1 3.9Å; F214-F262 AromaticContact CE1-CE1 3.95Å; F214-F262 HydrophobicContact CE1-CE1 3.95Å; F214-F262 HydrophobicContact CE2-CD1 4.19Å; F214-F262 AromaticContact CZ-CD1 3.66Å; F214-F262 HydrophobicContact CZ-CD1 3.66Å; F214-F262 HydrophobicContact CZ-CE1 4.15Å; F214-W265 HydrophobicContact CB-CG 4.32Å; F214-W265 HydrophobicContact CD2-CD2 4Å; F214-W265 HydrophobicContact CD2-CE3 4.08Å; F214-W265 HydrophobicContact CD2-CH2 4.46Å; F214-W265 HydrophobicContact CD2-CZ2 4.38Å; F214-W265 HydrophobicContact CD2-CZ3 4.3Å; F214-W265 HydrophobicContact CE2-CZ3 4.45Å |
| 215 | F | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -77.5 | -50.5 | 165.9 | 155 | -100.9 | 0 | 0 | 0 | 112.8 | F44 L176 L179 L211 F212 W213 H217 P218 E219 | F44-F215 AromaticContact CE1-CZ 3.97Å; F44-F215 HydrophobicContact CE1-CZ 3.97Å; F44-F215 HydrophobicContact CZ-CE1 4.2Å; F44-F215 AromaticContact CZ-CZ 3.89Å; F44-F215 HydrophobicContact CZ-CZ 3.89Å; L176-F215 HydrophobicContact CD2-CD2 4.07Å; L176-F215 HydrophobicContact CD2-CE2 3.48Å; L176-F215 VanDerWaalsContact CD2-CE2 3.48Å; L176-F215 HydrophobicContact CD2-CZ 4.25Å; L176-F215 HydrophobicContact CG-CE2 4.27Å; L179-F215 HydrophobicContact CB-CB 3.9Å; L179-F215 HydrophobicContact CB-CD1 3.87Å; L179-F215 HydrophobicContact CB-CD2 3.94Å; L179-F215 HydrophobicContact CB-CE1 4.45Å; L179-F215 HydrophobicContact CB-CG 3.6Å; L179-F215 HydrophobicContact CD1-CD1 3.8Å; L179-F215 HydrophobicContact CD1-CE1 4.15Å; L179-F215 HydrophobicContact CD1-CG 4.4Å; L179-F215 HydrophobicContact CD2-CD1 3.91Å; L179-F215 HydrophobicContact CD2-CD2 4.35Å; L179-F215 HydrophobicContact CD2-CE1 3.64Å; L179-F215 HydrophobicContact CD2-CE2 4.11Å; L179-F215 HydrophobicContact CD2-CG 4.26Å; L179-F215 HydrophobicContact CD2-CZ 3.74Å; L179-F215 HydrophobicContact CG-CD1 4.06Å; L179-F215 HydrophobicContact CG-CE1 4.28Å; L179-F215 HydrophobicContact CG-CG 4.29Å; L211-F215 PolarHBondContact O-N 3.16Å; F212-F215 CarbonylContact O-C 3.59Å; F212-F215 WeakPolarHBondContact O-CB 3.31Å; F212-F215 PolarHBondContact O-N 3.37Å; W213-F215 CarbonylContact O-C 3.58Å; W213-F215 PolarHBondContact O-N 3.03Å; F215-H217 VanDerWaalsContact C-N 3.33Å; F215-H217 PolarHBondContact O-N 3.24Å; F215-P218 VanDerWaalsContact O-CD 3.26Å; F215-P218 WeakPolarHBondContact O-CD 3.49Å; F215-E219 HydrophobicContact CD2-CB 4.43Å; F215-E219 HydrophobicContact CE1-CB 4.14Å; F215-E219 HydrophobicContact CE1-CG 4.24Å; F215-E219 HydrophobicContact CE2-CB 3.81Å; F215-E219 HydrophobicContact CE2-CG 4.02Å; F215-E219 WeakPolarHBondContact CE2-OE2 3.35Å; F215-E219 HydrophobicContact CZ-CB 3.65Å; F215-E219 HydrophobicContact CZ-CG 3.55Å; F215-E219 PolarHBondContact O-N 3.2Å |
| 216 | G | 96.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.2 | -28.5 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114 | F212 W213 V220 | F212-G216 PolarHBondContact O-N 3.21Å; W213-G216 PolarHBondContact O-N 3.44Å; G216-V220 PolarHBondContact O-N 3.44Å |
| 217 | H | 98.1 | Very high | 97.7 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 5% | 0.051 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -74.8 | -49.4 | 174.6 | -165.1 | 78.9 | 0 | 0 | 0 | 112.8 | W213 F215 E219 V220 Y221 G261 V264 W265 H267 H268 | W213-H217 PolarHBondContact O-N 2.78Å; F215-H217 VanDerWaalsContact C-N 3.33Å; F215-H217 PolarHBondContact O-N 3.24Å; H217-E219 PolarHBondContact O-N 3.06Å; H217-V220 WeakPolarHBondContact O-CG2 3.23Å; H217-V220 PolarHBondContact O-N 2.89Å; H217-Y221 AromaticContact CD2-CD2 3.92Å; H217-Y221 AromaticContact CD2-CE2 3.51Å; H217-Y221 AromaticContact NE2-CD2 3.78Å; H217-Y221 AromaticContact NE2-CE2 3.01Å; H217-Y221 WeakPolarHBondContact NE2-CE2 3.34Å; H217-Y221 AromaticContact NE2-CZ 3.47Å; H217-Y221 PolarHBondContact O-N 2.76Å; H217-G261 PolarHBondContact CD2-O 3.41Å; H217-V264 WeakPolarHBondContact CD2-CG2 3.12Å; H217-V264 WeakPolarHBondContact NE2-CG2 3.34Å; H217-W265 HydrophobicContact CB-CB 4.02Å; H217-H267 AromaticContact CE1-CE1 3.08Å; H217-H267 PolarHBondContact CE1-CE1 3.22Å; H217-H267 AromaticContact CE1-NE2 3.51Å; H217-H267 AromaticContact ND1-CE1 3.12Å; H217-H267 PolarHBondContact ND1-CE1 2.75Å; H217-H267 AromaticContact ND1-NE2 3.17Å; H217-H267 PolarHBondContact ND1-NE2 2.7Å; H217-H267 VanDerWaalsContact ND1-NE2 3.17Å; H217-H267 AromaticContact NE2-CE1 3.9Å; H217-H268 AromaticContact ND1-NE2 3.41Å; H217-H268 PolarHBondContact ND1-NE2 3.3Å |
| 218 | P | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -52.6 | -37.1 | 166.3 | -30.2 | 36.2 | 0 | 0 | 0 | 113.7 | F214 F215 V220 Y221 I222 F262 | F214-P218 WeakPolarHBondContact O-CD 3.32Å; F214-P218 VanDerWaalsContact O-CG 3.23Å; F214-P218 WeakPolarHBondContact O-CG 3.04Å; F215-P218 VanDerWaalsContact O-CD 3.26Å; F215-P218 WeakPolarHBondContact O-CD 3.49Å; P218-V220 PolarHBondContact O-N 2.88Å; P218-Y221 WeakPolarHBondContact O-CA 3.18Å; P218-Y221 WeakPolarHBondContact O-CB 3.3Å; P218-Y221 PolarHBondContact O-N 3.39Å; P218-Y221 VanDerWaalsContact O-N 3.09Å; P218-I222 WeakPolarHBondContact O-CG1 3.36Å; P218-I222 PolarHBondContact O-N 3.31Å; P218-F262 HydrophobicContact CB-CE1 4.11Å; P218-F262 HydrophobicContact CB-CZ 4.12Å; P218-F262 HydrophobicContact CG-CD1 3.64Å; P218-F262 HydrophobicContact CG-CE1 3.55Å; P218-F262 HydrophobicContact CG-CG 4.18Å; P218-F262 HydrophobicContact CG-CZ 4.01Å |
| 219 | E | 97.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 177.5 | -175.1 | 62.5 | -164.6 | 0 | 0 | 112.3 | I43 M48 F215 H217 Y221 I222 L223 | I43-E219 HydrophobicContact CG2-CG 4.49Å; M48-E219 WeakPolarHBondContact CE-OE1 3.29Å; M48-E219 VanDerWaalsContact SD-OE1 3.38Å; F215-E219 HydrophobicContact CD2-CB 4.43Å; F215-E219 HydrophobicContact CE1-CB 4.14Å; F215-E219 HydrophobicContact CE1-CG 4.24Å; F215-E219 HydrophobicContact CE2-CB 3.81Å; F215-E219 HydrophobicContact CE2-CG 4.02Å; F215-E219 WeakPolarHBondContact CE2-OE2 3.35Å; F215-E219 HydrophobicContact CZ-CB 3.65Å; F215-E219 HydrophobicContact CZ-CG 3.55Å; F215-E219 PolarHBondContact O-N 3.2Å; H217-E219 PolarHBondContact O-N 3.06Å; E219-Y221 PolarHBondContact O-N 3.35Å; E219-I222 VanDerWaalsContact O-CB 3.28Å; E219-I222 WeakPolarHBondContact O-CB 3.44Å; E219-I222 PolarHBondContact O-N 3.48Å; E219-I222 VanDerWaalsContact O-N 3.09Å; E219-I222 WeakPolarHBondContact OE2-CD1 3.37Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 2.97Å |
| 220 | V | 96.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 27.4 Ų | 27.4 | 38% | 0.382 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65 | -27.4 | 177.3 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | G216 H217 P218 | G216-V220 PolarHBondContact O-N 3.44Å; H217-V220 WeakPolarHBondContact O-CG2 3.23Å; H217-V220 PolarHBondContact O-N 2.89Å; P218-V220 PolarHBondContact O-N 2.88Å |
| 221 | Y | 96.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 26% | 0.259 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -73.9 | -38.2 | 170.8 | -73 | -49.2 | 0 | 0 | 0 | 113.1 | H217 P218 E219 L223 I224 L225 I257 | H217-Y221 AromaticContact CD2-CD2 3.92Å; H217-Y221 AromaticContact CD2-CE2 3.51Å; H217-Y221 AromaticContact NE2-CD2 3.78Å; H217-Y221 AromaticContact NE2-CE2 3.01Å; H217-Y221 WeakPolarHBondContact NE2-CE2 3.34Å; H217-Y221 AromaticContact NE2-CZ 3.47Å; H217-Y221 PolarHBondContact O-N 2.76Å; P218-Y221 WeakPolarHBondContact O-CA 3.18Å; P218-Y221 WeakPolarHBondContact O-CB 3.3Å; P218-Y221 PolarHBondContact O-N 3.39Å; P218-Y221 VanDerWaalsContact O-N 3.09Å; E219-Y221 PolarHBondContact O-N 3.35Å; Y221-L223 PolarHBondContact O-N 3.13Å; Y221-I224 HydrophobicContact CD1-CG2 4.21Å; Y221-I224 WeakPolarHBondContact O-CG2 3.31Å; Y221-I224 PolarHBondContact O-N 3.41Å; Y221-I224 VanDerWaalsContact O-N 3.13Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 VanDerWaalsContact O-CG 3.28Å; Y221-L225 WeakPolarHBondContact O-CG 3.35Å; Y221-L225 PolarHBondContact O-N 3.47Å; Y221-I257 HydrophobicContact CD1-CG2 3.47Å; Y221-I257 VanDerWaalsContact CD1-CG2 3.47Å; Y221-I257 HydrophobicContact CD2-CG2 4.25Å; Y221-I257 HydrophobicContact CE1-CG2 3.57Å; Y221-I257 HydrophobicContact CE2-CG2 4.29Å; Y221-I257 HydrophobicContact CG-CG2 3.85Å |
| 222 | I | 95.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -53.9 | -39.5 | 171.6 | -75.4 | 156.2 | 0 | 0 | 0 | 110.8 | M48 T168 L171 L172 P218 E219 P226 | M48-I222 HydrophobicContact SD-CG2 3.98Å; T168-I222 HydrophobicContact CG2-CB 3.93Å; T168-I222 HydrophobicContact CG2-CG1 3.96Å; T168-I222 HydrophobicContact CG2-CG2 3.6Å; L171-I222 HydrophobicContact CB-CD1 3.71Å; L171-I222 HydrophobicContact CB-CG1 3.57Å; L171-I222 HydrophobicContact CD1-CG1 3.99Å; L171-I222 HydrophobicContact CG-CG1 4.41Å; L172-I222 HydrophobicContact CB-CD1 4.46Å; L172-I222 HydrophobicContact CD1-CG2 4.43Å; L172-I222 HydrophobicContact CD2-CD1 3.71Å; L172-I222 HydrophobicContact CD2-CG1 4.37Å; L172-I222 HydrophobicContact CD2-CG2 3.94Å; L172-I222 HydrophobicContact CG-CD1 3.77Å; L172-I222 HydrophobicContact CG-CG1 4.11Å; L172-I222 HydrophobicContact CG-CG2 4.09Å; P218-I222 WeakPolarHBondContact O-CG1 3.36Å; P218-I222 PolarHBondContact O-N 3.31Å; E219-I222 VanDerWaalsContact O-CB 3.28Å; E219-I222 WeakPolarHBondContact O-CB 3.44Å; E219-I222 PolarHBondContact O-N 3.48Å; E219-I222 VanDerWaalsContact O-N 3.09Å; E219-I222 WeakPolarHBondContact OE2-CD1 3.37Å; I222-P226 WeakPolarHBondContact O-CD 3.11Å |
| 223 | L | 94.9 | Very high | 97.1 | Very high | 35 Ų | 35 | 30.3 Ų | 30.3 | 18% | 0.183 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69 | -32.1 | 179.3 | -59.3 | -179.4 | 0 | 0 | 0 | 113.6 | I43 I47 M48 E219 Y221 | I43-L223 HydrophobicContact CG1-CD1 4.44Å; I43-L223 HydrophobicContact CG2-CD1 4.26Å; I43-L223 HydrophobicContact CG2-CD2 4.36Å; I47-L223 HydrophobicContact CB-CD2 4.12Å; I47-L223 HydrophobicContact CG2-CB 4.21Å; I47-L223 HydrophobicContact CG2-CD2 3.67Å; I47-L223 HydrophobicContact CG2-CG 4.41Å; M48-L223 HydrophobicContact CG-CD2 3.7Å; E219-L223 WeakPolarHBondContact O-CG 3.4Å; E219-L223 PolarHBondContact O-N 2.97Å; Y221-L223 PolarHBondContact O-N 3.13Å |
| 224 | I | 97.3 | Very high | 97 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 39% | 0.39 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -100 | -30.6 | -172 | -164.6 | 61.8 | 0 | 0 | 0 | 114.3 | Y221 G227 F228 | Y221-I224 HydrophobicContact CD1-CG2 4.21Å; Y221-I224 WeakPolarHBondContact O-CG2 3.31Å; Y221-I224 PolarHBondContact O-N 3.41Å; Y221-I224 VanDerWaalsContact O-N 3.13Å; I224-G227 CarbonylContact O-C 3.59Å; I224-G227 VanDerWaalsContact O-CA 3.24Å; I224-G227 WeakPolarHBondContact O-CA 3.48Å; I224-G227 PolarHBondContact O-N 3.23Å; I224-F228 HydrophobicContact CB-CZ 4.45Å; I224-F228 HydrophobicContact CD1-CE1 4.23Å; I224-F228 HydrophobicContact CG1-CD1 4.17Å; I224-F228 HydrophobicContact CG1-CE1 3.51Å; I224-F228 HydrophobicContact CG1-CE2 4.32Å; I224-F228 HydrophobicContact CG1-CZ 3.59Å; I224-F228 HydrophobicContact CG2-CE2 4.09Å; I224-F228 HydrophobicContact CG2-CZ 4Å; I224-F228 PolarHBondContact O-N 3.46Å |
| 225 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.3 | -47.2 | -176.6 | -79.2 | 166.2 | 0 | 0 | 0 | 112.9 | S164 I167 T168 L171 Y221 G227 F228 G229 M254 I257 | S164-L225 WeakPolarHBondContact CB-O 3.23Å; S164-L225 PolarHBondContact OG-O 2.84Å; I167-L225 HydrophobicContact CG2-CD1 3.85Å; T168-L225 WeakPolarHBondContact OG1-CB 3.17Å; L171-L225 HydrophobicContact CD1-CD1 3.62Å; Y221-L225 WeakPolarHBondContact O-CB 3.49Å; Y221-L225 VanDerWaalsContact O-CG 3.28Å; Y221-L225 WeakPolarHBondContact O-CG 3.35Å; Y221-L225 PolarHBondContact O-N 3.47Å; L225-G227 PolarHBondContact O-N 3.39Å; L225-F228 HydrophobicContact CD2-CD2 4.07Å; L225-F228 HydrophobicContact CD2-CE2 4.41Å; L225-F228 WeakPolarHBondContact O-CB 3.48Å; L225-F228 PolarHBondContact O-N 3.31Å; L225-F228 VanDerWaalsContact O-N 3.08Å; L225-G229 PolarHBondContact O-N 2.95Å; L225-G229 VanDerWaalsContact O-N 3.14Å; L225-M254 HydrophobicContact CD2-CB 4.11Å; L225-M254 HydrophobicContact CD2-CG 4.11Å; L225-I257 HydrophobicContact CD2-CG2 4.44Å |
| 226 | P | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -32.9 | 174.3 | -24.1 | 36.3 | 0 | 0 | 0 | 112.4 | M51 I52 F161 T168 I222 G229 M230 | M51-P226 HydrophobicContact CB-CB 4.23Å; M51-P226 HydrophobicContact CB-CG 4.48Å; M51-P226 HydrophobicContact CE-CB 3.69Å; I52-P226 HydrophobicContact CD1-CB 4.5Å; I52-P226 HydrophobicContact CD1-CG 3.63Å; I52-P226 HydrophobicContact CG1-CG 4.44Å; F161-P226 HydrophobicContact CE2-CB 4.31Å; T168-P226 HydrophobicContact CG2-CG 4.28Å; T168-P226 WeakPolarHBondContact OG1-CD 3.32Å; I222-P226 WeakPolarHBondContact O-CD 3.11Å; P226-G229 PolarHBondContact O-N 2.98Å; P226-M230 WeakPolarHBondContact O-CG 3.3Å; P226-M230 PolarHBondContact O-N 3.43Å |
| 227 | G | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I224 L225 G229 M230 I231 | I224-G227 CarbonylContact O-C 3.59Å; I224-G227 VanDerWaalsContact O-CA 3.24Å; I224-G227 WeakPolarHBondContact O-CA 3.48Å; I224-G227 PolarHBondContact O-N 3.23Å; L225-G227 PolarHBondContact O-N 3.39Å; G227-G229 VanDerWaalsContact C-N 3.29Å; G227-G229 PolarHBondContact O-N 3.26Å; G227-M230 PolarHBondContact O-N 2.79Å; G227-I231 WeakPolarHBondContact O-CB 3.48Å; G227-I231 VanDerWaalsContact O-CG1 3.28Å; G227-I231 WeakPolarHBondContact O-CG1 3.49Å; G227-I231 PolarHBondContact O-N 3.28Å |
| 228 | F | 97.8 | Very high | 96.7 | Very high | 80 Ų | 80 | 49.7 Ų | 49.7 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -43.2 | 174.1 | -60.8 | -25.6 | 0 | 0 | 0 | 111.8 | I224 L225 S232 I257 | I224-F228 HydrophobicContact CB-CZ 4.45Å; I224-F228 HydrophobicContact CD1-CE1 4.23Å; I224-F228 HydrophobicContact CG1-CD1 4.17Å; I224-F228 HydrophobicContact CG1-CE1 3.51Å; I224-F228 HydrophobicContact CG1-CE2 4.32Å; I224-F228 HydrophobicContact CG1-CZ 3.59Å; I224-F228 HydrophobicContact CG2-CE2 4.09Å; I224-F228 HydrophobicContact CG2-CZ 4Å; I224-F228 PolarHBondContact O-N 3.46Å; L225-F228 HydrophobicContact CD2-CD2 4.07Å; L225-F228 HydrophobicContact CD2-CE2 4.41Å; L225-F228 WeakPolarHBondContact O-CB 3.48Å; L225-F228 PolarHBondContact O-N 3.31Å; L225-F228 VanDerWaalsContact O-N 3.08Å; F228-S232 WeakPolarHBondContact O-CB 3.31Å; F228-S232 PolarHBondContact O-N 3.08Å; F228-S232 PolarHBondContact O-OG 3.47Å; F228-I257 HydrophobicContact CE2-CD1 4.21Å |
| 229 | G | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | L225 P226 G227 S232 H233 | L225-G229 PolarHBondContact O-N 2.95Å; L225-G229 VanDerWaalsContact O-N 3.14Å; P226-G229 PolarHBondContact O-N 2.98Å; G227-G229 VanDerWaalsContact C-N 3.29Å; G227-G229 PolarHBondContact O-N 3.26Å; G229-S232 PolarHBondContact O-N 3.49Å; G229-H233 PolarHBondContact O-CD2 3.13Å; G229-H233 VanDerWaalsContact O-CD2 3.26Å; G229-H233 PolarHBondContact O-N 3.19Å |
| 230 | M | 96.9 | Very high | 96.5 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 179.8 | -68.8 | -170.2 | -52.7 | 0 | 0 | 112.3 | M51 F55 F161 P226 G227 S232 H233 I234 | M51-M230 HydrophobicContact CE-CE 3.16Å; M51-M230 HydrophobicContact CE-SD 4.37Å; M51-M230 HydrophobicContact SD-CE 3.66Å; F55-M230 HydrophobicContact CB-SD 4.4Å; F55-M230 HydrophobicContact CD1-SD 4.3Å; F55-M230 HydrophobicContact CD2-SD 3.8Å; F55-M230 HydrophobicContact CE2-SD 4.05Å; F55-M230 HydrophobicContact CG-SD 3.93Å; F55-M230 HydrophobicContact CZ-SD 4.41Å; F161-M230 HydrophobicContact CD2-CG 3.51Å; F161-M230 HydrophobicContact CE2-CG 3.5Å; F161-M230 VanDerWaalsContact CE2-CG 3.5Å; F161-M230 HydrophobicContact CE2-SD 4.19Å; P226-M230 WeakPolarHBondContact O-CG 3.3Å; P226-M230 PolarHBondContact O-N 3.43Å; G227-M230 PolarHBondContact O-N 2.79Å; M230-S232 VanDerWaalsContact C-N 3.27Å; M230-S232 PolarHBondContact O-N 3.04Å; M230-H233 WeakPolarHBondContact O-CB 3.27Å; M230-H233 PolarHBondContact O-N 2.93Å; M230-H233 VanDerWaalsContact O-N 3.14Å; M230-I234 WeakPolarHBondContact O-CG1 3.26Å; M230-I234 PolarHBondContact O-N 2.96Å |
| 231 | I | 97.4 | Very high | 96.3 | Very high | 92 Ų | 92 | 60 Ų | 60 | 47% | 0.472 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | -179.7 | -69.1 | -65.4 | 0 | 0 | 0 | 111 | G227 H233 I234 I235 | G227-I231 WeakPolarHBondContact O-CB 3.48Å; G227-I231 VanDerWaalsContact O-CG1 3.28Å; G227-I231 WeakPolarHBondContact O-CG1 3.49Å; G227-I231 PolarHBondContact O-N 3.28Å; I231-H233 VanDerWaalsContact C-N 3.28Å; I231-H233 PolarHBondContact O-N 3.37Å; I231-I234 PolarHBondContact O-N 3.41Å; I231-I235 HydrophobicContact CG2-CD1 3.45Å; I231-I235 VanDerWaalsContact CG2-CD1 3.45Å; I231-I235 HydrophobicContact CG2-CG1 4.04Å; I231-I235 WeakPolarHBondContact O-CB 3.34Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.48Å; I231-I235 PolarHBondContact O-N 3.42Å |
| 232 | S | 96 | Very high | 95.9 | Very high | 9 Ų | 9 | 67.2 Ų | 67.2 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 176.7 | -57.8 | 0 | 0 | 0 | 0 | 112.5 | F228 G229 M230 S236 T244 M250 | F228-S232 WeakPolarHBondContact O-CB 3.31Å; F228-S232 PolarHBondContact O-N 3.08Å; F228-S232 PolarHBondContact O-OG 3.47Å; G229-S232 PolarHBondContact O-N 3.49Å; M230-S232 VanDerWaalsContact C-N 3.27Å; M230-S232 PolarHBondContact O-N 3.04Å; S232-S236 WeakPolarHBondContact O-CB 3.36Å; S232-S236 PolarHBondContact O-N 2.75Å; S232-T244 PolarHBondContact O-OG1 2.88Å; S232-M250 WeakPolarHBondContact OG-CE 3.36Å |
| 233 | H | 94.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 74.1 Ų | 74.1 | 31% | 0.306 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -70.2 | -47.8 | 175.7 | -81.9 | -72.3 | 0 | 0 | 0 | 112.3 | G229 M230 I231 I235 S236 Q237 | G229-H233 PolarHBondContact O-CD2 3.13Å; G229-H233 VanDerWaalsContact O-CD2 3.26Å; G229-H233 PolarHBondContact O-N 3.19Å; M230-H233 WeakPolarHBondContact O-CB 3.27Å; M230-H233 PolarHBondContact O-N 2.93Å; M230-H233 VanDerWaalsContact O-N 3.14Å; I231-H233 VanDerWaalsContact C-N 3.28Å; I231-H233 PolarHBondContact O-N 3.37Å; H233-I235 PolarHBondContact O-N 3.16Å; H233-S236 PolarHBondContact O-N 3.47Å; H233-Q237 WeakPolarHBondContact O-CB 3.48Å; H233-Q237 PolarHBondContact O-N 3.14Å |
| 234 | I | 96.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 74 Ų | 74 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.2 | -49.8 | 179.6 | -66.4 | 165.3 | 0 | 0 | 0 | 109.9 | M230 I231 S236 Q237 E238 | M230-I234 WeakPolarHBondContact O-CG1 3.26Å; M230-I234 PolarHBondContact O-N 2.96Å; I231-I234 PolarHBondContact O-N 3.41Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.13Å; I234-Q237 PolarHBondContact O-N 2.89Å; I234-E238 HydrophobicContact CG2-CG 4.04Å; I234-E238 WeakPolarHBondContact O-CB 3.09Å; I234-E238 VanDerWaalsContact O-CG 3.32Å; I234-E238 WeakPolarHBondContact O-CG 3.35Å; I234-E238 PolarHBondContact O-N 3.27Å |
| 235 | I | 96.7 | Very high | 95.3 | Very high | 97 Ų | 97 | 80 Ų | 80 | 50% | 0.497 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | -179.5 | -68.6 | 175.3 | 0 | 0 | 0 | 111.2 | I231 H233 Q237 S239 | I231-I235 HydrophobicContact CG2-CD1 3.45Å; I231-I235 VanDerWaalsContact CG2-CD1 3.45Å; I231-I235 HydrophobicContact CG2-CG1 4.04Å; I231-I235 WeakPolarHBondContact O-CB 3.34Å; I231-I235 VanDerWaalsContact O-CG1 3.31Å; I231-I235 WeakPolarHBondContact O-CG1 3.48Å; I231-I235 PolarHBondContact O-N 3.42Å; H233-I235 PolarHBondContact O-N 3.16Å; I235-Q237 VanDerWaalsContact C-N 3.31Å; I235-Q237 PolarHBondContact O-N 2.87Å; I235-S239 WeakPolarHBondContact O-CB 3.44Å; I235-S239 PolarHBondContact O-N 3.48Å; I235-S239 PolarHBondContact O-OG 3.49Å |
| 236 | S | 95.6 | Very high | 95.1 | Very high | 16 Ų | 16 | 82 Ų | 82 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | S232 H233 I234 G240 K241 | S232-S236 WeakPolarHBondContact O-CB 3.36Å; S232-S236 PolarHBondContact O-N 2.75Å; H233-S236 PolarHBondContact O-N 3.47Å; I234-S236 VanDerWaalsContact C-N 3.35Å; I234-S236 PolarHBondContact O-N 3.13Å; S236-G240 PolarHBondContact O-N 2.99Å; S236-K241 PolarHBondContact O-N 3.24Å; S236-K241 PolarHBondContact OG-O 2.94Å |
| 237 | Q | 95 | Very high | 94.9 | Very high | 141 Ų | 141 | 83.6 Ų | 83.6 | 66% | 0.659 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.7 | -52.5 | -179.9 | -178.3 | 62.3 | 20.9 | 0 | 0 | 111.9 | H233 I234 I235 S239 G240 | H233-Q237 WeakPolarHBondContact O-CB 3.48Å; H233-Q237 PolarHBondContact O-N 3.14Å; I234-Q237 PolarHBondContact O-N 2.89Å; I235-Q237 VanDerWaalsContact C-N 3.31Å; I235-Q237 PolarHBondContact O-N 2.87Å; Q237-S239 PolarHBondContact O-N 2.76Å; Q237-G240 PolarHBondContact O-N 3.47Å |
| 238 | E | 97.1 | Very high | 94.8 | Very high | 154 Ų | 154 | 86.8 Ų | 86.8 | 72% | 0.72 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -66.8 | -25.2 | -178.1 | -65 | -53.8 | 126.7 | 0 | 0 | 112.4 | I234 G240 | I234-E238 HydrophobicContact CG2-CG 4.04Å; I234-E238 WeakPolarHBondContact O-CB 3.09Å; I234-E238 VanDerWaalsContact O-CG 3.32Å; I234-E238 WeakPolarHBondContact O-CG 3.35Å; I234-E238 PolarHBondContact O-N 3.27Å; E238-G240 VanDerWaalsContact C-N 3.3Å |
| 239 | S | 96.4 | Very high | 94.8 | Very high | 71 Ų | 71 | 85.1 Ų | 85.1 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -0.1 | 174.4 | -54.9 | 0 | 0 | 0 | 0 | 113.5 | I235 Q237 K241 | I235-S239 WeakPolarHBondContact O-CB 3.44Å; I235-S239 PolarHBondContact O-N 3.48Å; I235-S239 PolarHBondContact O-OG 3.49Å; Q237-S239 PolarHBondContact O-N 2.76Å; S239-K241 PolarHBondContact O-N 3.23Å |
| 240 | G | 94.5 | Very high | 94.8 | Very high | 70 Ų | 70 | 87.8 Ų | 87.8 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 25.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S236 Q237 E238 | S236-G240 PolarHBondContact O-N 2.99Å; Q237-G240 PolarHBondContact O-N 3.47Å; E238-G240 VanDerWaalsContact C-N 3.3Å |
| 241 | K | 93.1 | Very high | 94.9 | Very high | 142 Ų | 142 | 86.1 Ų | 86.1 | 62% | 0.617 | 46% | 0.462 | S | S | * | . | trans | -92.6 | 141.3 | 179.4 | -62.6 | -63.6 | -176.6 | -180 | 0 | 109.8 | S236 S239 E243 | S236-K241 PolarHBondContact O-N 3.24Å; S236-K241 PolarHBondContact OG-O 2.94Å; S239-K241 PolarHBondContact O-N 3.23Å; K241-E243 VanDerWaalsContact C-N 3.27Å; K241-E243 PolarHBondContact O-N 3.22Å | ||
| 242 | K | 87 | Confident | 94.9 | Very high | 217 Ų | 217 | 88.5 Ų | 88.5 | 94% | 0.943 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -67.9 | -29.7 | 178.3 | -66.3 | -175.3 | 178 | -178.6 | 0 | 112.8 | ||
| 243 | E | 89.5 | Confident | 95 | Very high | 146 Ų | 146 | 90.4 Ų | 90.4 | 68% | 0.682 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -152.1 | 159.5 | -178.9 | 64.9 | -175.5 | 168.2 | 0 | 0 | 110.7 | K241 | K241-E243 VanDerWaalsContact C-N 3.27Å; K241-E243 PolarHBondContact O-N 3.22Å |
| 244 | T | 93.1 | Very high | 95.2 | Very high | 34 Ų | 34 | 87.6 Ų | 87.6 | 21% | 0.209 | 47% | 0.47 | C | S | . | . | trans | -69.7 | 132.7 | 171.5 | -44.6 | 0 | 0 | 0 | 0 | 110.2 | L160 S232 G246 S247 M250 | L160-T244 HydrophobicContact CD1-CG2 4.07Å; S232-T244 PolarHBondContact O-OG1 2.88Å; T244-G246 PolarHBondContact O-N 3.41Å; T244-S247 PolarHBondContact O-N 3.48Å; T244-M250 HydrophobicContact CG2-CE 4.37Å; T244-M250 HydrophobicContact CG2-SD 3.34Å; T244-M250 WeakPolarHBondContact CG2-SD 3.49Å | ||
| 245 | F | 92.9 | Very high | 95.2 | Very high | 200 Ų | 200 | 86.4 Ų | 86.4 | 88% | 0.877 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 125 | 178 | 179.5 | -96.8 | 0 | 0 | 0 | 110.8 | ||
| 246 | G | 93.9 | Very high | 95.3 | Very high | 43 Ų | 43 | 83.8 Ų | 83.8 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 37.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T244 L248 G249 M250 | T244-G246 PolarHBondContact O-N 3.41Å; G246-L248 VanDerWaalsContact C-N 3.27Å; G246-L248 PolarHBondContact O-N 3.49Å; G246-L248 VanDerWaalsContact O-N 3.15Å; G246-G249 WeakPolarHBondContact O-CA 3.37Å; G246-G249 PolarHBondContact O-N 2.89Å; G246-M250 PolarHBondContact O-N 3.15Å |
| 247 | S | 94.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 85.4 Ų | 85.4 | 24% | 0.238 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -44.7 | -46.8 | -179.2 | -177.5 | 0 | 0 | 0 | 0 | 113.9 | T244 G249 M250 I251 | T244-S247 PolarHBondContact O-N 3.48Å; S247-G249 VanDerWaalsContact C-N 3.34Å; S247-G249 PolarHBondContact O-N 2.59Å; S247-M250 WeakPolarHBondContact O-CB 3.31Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 VanDerWaalsContact O-N 3.11Å; S247-I251 WeakPolarHBondContact O-CG1 3.46Å; S247-I251 PolarHBondContact O-N 2.82Å |
| 248 | L | 96.1 | Very high | 95.5 | Very high | 80 Ų | 80 | 78.9 Ų | 78.9 | 42% | 0.419 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 178 | -169.7 | 65.9 | 0 | 0 | 0 | 112.8 | G246 M250 I251 Y252 | G246-L248 VanDerWaalsContact C-N 3.27Å; G246-L248 PolarHBondContact O-N 3.49Å; G246-L248 VanDerWaalsContact O-N 3.15Å; L248-M250 VanDerWaalsContact C-N 3.31Å; L248-M250 PolarHBondContact O-N 3.17Å; L248-I251 HydrophobicContact CD1-CD1 4.44Å; L248-I251 WeakPolarHBondContact O-CB 3.34Å; L248-I251 PolarHBondContact O-N 3.49Å; L248-Y252 HydrophobicContact CD1-CE1 4.32Å; L248-Y252 HydrophobicContact CD1-CE2 4.14Å; L248-Y252 HydrophobicContact CD2-CE2 3.87Å; L248-Y252 HydrophobicContact CG-CD2 4.22Å; L248-Y252 HydrophobicContact CG-CE2 3.56Å; L248-Y252 WeakPolarHBondContact O-CD2 3.29Å; L248-Y252 PolarHBondContact O-N 3.49Å |
| 249 | G | 97.4 | Very high | 95.5 | Very high | 44 Ų | 44 | 77.6 Ų | 77.6 | 45% | 0.454 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G246 S247 Y252 A253 | G246-G249 WeakPolarHBondContact O-CA 3.37Å; G246-G249 PolarHBondContact O-N 2.89Å; S247-G249 VanDerWaalsContact C-N 3.34Å; S247-G249 PolarHBondContact O-N 2.59Å; G249-Y252 PolarHBondContact O-N 3.29Å; G249-A253 WeakPolarHBondContact O-CB 3.29Å; G249-A253 PolarHBondContact O-N 3.36Å |
| 250 | M | 97.3 | Very high | 95.5 | Very high | 56 Ų | 56 | 78.6 Ų | 78.6 | 28% | 0.276 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 174.1 | -64 | -170.9 | 67 | 0 | 0 | 112.4 | L160 S232 T244 G246 S247 L248 A253 M254 | L160-M250 HydrophobicContact CD1-CB 4.41Å; L160-M250 HydrophobicContact CD1-CE 4.12Å; L160-M250 HydrophobicContact CD1-SD 3.79Å; L160-M250 HydrophobicContact CD2-CB 4.02Å; S232-M250 WeakPolarHBondContact OG-CE 3.36Å; T244-M250 HydrophobicContact CG2-CE 4.37Å; T244-M250 HydrophobicContact CG2-SD 3.34Å; T244-M250 WeakPolarHBondContact CG2-SD 3.49Å; G246-M250 PolarHBondContact O-N 3.15Å; S247-M250 WeakPolarHBondContact O-CB 3.31Å; S247-M250 PolarHBondContact O-N 3.43Å; S247-M250 VanDerWaalsContact O-N 3.11Å; L248-M250 VanDerWaalsContact C-N 3.31Å; L248-M250 PolarHBondContact O-N 3.17Å; M250-A253 PolarHBondContact O-N 3.46Å; M250-M254 WeakPolarHBondContact O-CG 3.3Å; M250-M254 PolarHBondContact O-N 3.1Å |
| 251 | I | 97.8 | Very high | 95.5 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.015 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -58.9 | -49.2 | 173.4 | -66.1 | 164.4 | 0 | 0 | 0 | 109.8 | L160 W163 S247 L248 A253 M254 L255 | L160-I251 HydrophobicContact CD2-CD1 4.39Å; L160-I251 HydrophobicContact CD2-CG1 3.69Å; W163-I251 HydrophobicContact CB-CG1 4.48Å; W163-I251 HydrophobicContact CD2-CG1 4.35Å; W163-I251 HydrophobicContact CD2-CG2 3.77Å; W163-I251 HydrophobicContact CE3-CG2 4.05Å; W163-I251 HydrophobicContact CG-CD1 4.23Å; W163-I251 HydrophobicContact CG-CG1 3.93Å; W163-I251 HydrophobicContact CG-CG2 4.2Å; W163-I251 HydrophobicContact CH2-CG2 4.35Å; W163-I251 HydrophobicContact CZ2-CG2 4.08Å; W163-I251 HydrophobicContact CZ3-CG2 4.34Å; S247-I251 WeakPolarHBondContact O-CG1 3.46Å; S247-I251 PolarHBondContact O-N 2.82Å; L248-I251 HydrophobicContact CD1-CD1 4.44Å; L248-I251 WeakPolarHBondContact O-CB 3.34Å; L248-I251 PolarHBondContact O-N 3.49Å; I251-A253 VanDerWaalsContact C-N 3.34Å; I251-A253 PolarHBondContact O-N 3.29Å; I251-M254 PolarHBondContact O-N 2.96Å; I251-L255 HydrophobicContact CG2-CD1 3.98Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.43Å |
| 252 | Y | 98 | Very high | 95.7 | Very high | 142 Ų | 142 | 70 Ų | 70 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 177.7 | -63.7 | -35.2 | 0 | 0 | 0 | 113 | L248 G249 L255 A256 | L248-Y252 HydrophobicContact CD1-CE1 4.32Å; L248-Y252 HydrophobicContact CD1-CE2 4.14Å; L248-Y252 HydrophobicContact CD2-CE2 3.87Å; L248-Y252 HydrophobicContact CG-CD2 4.22Å; L248-Y252 HydrophobicContact CG-CE2 3.56Å; L248-Y252 WeakPolarHBondContact O-CD2 3.29Å; L248-Y252 PolarHBondContact O-N 3.49Å; G249-Y252 PolarHBondContact O-N 3.29Å; Y252-L255 HydrophobicContact CD1-CD1 4.26Å; Y252-L255 PolarHBondContact O-N 2.89Å; Y252-A256 WeakPolarHBondContact O-CB 3.37Å; Y252-A256 PolarHBondContact O-N 3.18Å |
| 253 | A | 98.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 65.2 Ų | 65.2 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G249 M250 I251 L255 A256 I257 | G249-A253 WeakPolarHBondContact O-CB 3.29Å; G249-A253 PolarHBondContact O-N 3.36Å; M250-A253 PolarHBondContact O-N 3.46Å; I251-A253 VanDerWaalsContact C-N 3.34Å; I251-A253 PolarHBondContact O-N 3.29Å; A253-L255 PolarHBondContact O-N 3.35Å; A253-A256 PolarHBondContact O-N 3.13Å; A253-I257 VanDerWaalsContact O-CG1 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 2.97Å |
| 254 | M | 98.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 3% | 0.034 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 176.4 | -70.1 | -173.4 | -66.9 | 0 | 0 | 112.1 | L160 W163 I167 L225 M250 I251 I257 G258 | L160-M254 HydrophobicContact CD2-CE 3.93Å; W163-M254 HydrophobicContact CB-CE 3.99Å; I167-M254 HydrophobicContact CD1-CB 3.55Å; L225-M254 HydrophobicContact CD2-CB 4.11Å; L225-M254 HydrophobicContact CD2-CG 4.11Å; M250-M254 WeakPolarHBondContact O-CG 3.3Å; M250-M254 PolarHBondContact O-N 3.1Å; I251-M254 PolarHBondContact O-N 2.96Å; M254-I257 PolarHBondContact O-N 3.34Å; M254-G258 PolarHBondContact O-N 3.1Å |
| 255 | L | 98.1 | Very high | 96.8 | Very high | 67 Ų | 67 | 62.2 Ų | 62.2 | 35% | 0.351 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 174.7 | -74.5 | 167.5 | 0 | 0 | 0 | 111.7 | W163 I167 I251 Y252 A253 G258 L259 | W163-L255 HydrophobicContact CZ3-CD2 4.46Å; I167-L255 HydrophobicContact CD1-CD2 3.95Å; I167-L255 HydrophobicContact CD1-CG 4.03Å; I167-L255 HydrophobicContact CG1-CD2 3.92Å; I251-L255 HydrophobicContact CG2-CD1 3.98Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.43Å; Y252-L255 HydrophobicContact CD1-CD1 4.26Å; Y252-L255 PolarHBondContact O-N 2.89Å; A253-L255 PolarHBondContact O-N 3.35Å; L255-G258 PolarHBondContact O-N 3.31Å; L255-L259 PolarHBondContact O-N 2.92Å |
| 256 | A | 98.2 | Very high | 96.9 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y252 A253 G258 L259 L260 | Y252-A256 WeakPolarHBondContact O-CB 3.37Å; Y252-A256 PolarHBondContact O-N 3.18Å; A253-A256 PolarHBondContact O-N 3.13Å; A256-G258 VanDerWaalsContact C-N 3.34Å; A256-G258 PolarHBondContact O-N 3.46Å; A256-L259 PolarHBondContact O-N 3.29Å; A256-L260 VanDerWaalsContact O-CB 3.26Å; A256-L260 WeakPolarHBondContact O-CB 3.49Å; A256-L260 WeakPolarHBondContact O-CG 3.47Å; A256-L260 PolarHBondContact O-N 2.83Å |
| 257 | I | 97.6 | Very high | 97.1 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 26% | 0.256 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 174.6 | -70 | 165.7 | 0 | 0 | 0 | 110.6 | Y221 L225 F228 A253 M254 L259 G261 | Y221-I257 HydrophobicContact CD1-CG2 3.47Å; Y221-I257 VanDerWaalsContact CD1-CG2 3.47Å; Y221-I257 HydrophobicContact CD2-CG2 4.25Å; Y221-I257 HydrophobicContact CE1-CG2 3.57Å; Y221-I257 HydrophobicContact CE2-CG2 4.29Å; Y221-I257 HydrophobicContact CG-CG2 3.85Å; L225-I257 HydrophobicContact CD2-CG2 4.44Å; F228-I257 HydrophobicContact CE2-CD1 4.21Å; A253-I257 VanDerWaalsContact O-CG1 3.3Å; A253-I257 WeakPolarHBondContact O-CG1 3.42Å; A253-I257 PolarHBondContact O-N 2.97Å; M254-I257 PolarHBondContact O-N 3.34Å; I257-L259 PolarHBondContact O-N 2.95Å; I257-G261 PolarHBondContact O-N 3.46Å |
| 258 | G | 96.4 | Very high | 97.3 | Very high | 4 Ų | 4 | 56.5 Ų | 56.5 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L171 M254 L255 A256 | L171-G258 WeakPolarHBondContact CD2-O 3.43Å; M254-G258 PolarHBondContact O-N 3.1Å; L255-G258 PolarHBondContact O-N 3.31Å; A256-G258 VanDerWaalsContact C-N 3.34Å; A256-G258 PolarHBondContact O-N 3.46Å |
| 259 | L | 97.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 52.7 Ų | 52.7 | 67% | 0.665 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -68 | -50 | 178.3 | -179.7 | 66 | 0 | 0 | 0 | 112 | L255 A256 I257 G261 F262 | L255-L259 PolarHBondContact O-N 2.92Å; A256-L259 PolarHBondContact O-N 3.29Å; I257-L259 PolarHBondContact O-N 2.95Å; L259-G261 PolarHBondContact O-N 3.34Å; L259-F262 PolarHBondContact O-N 3.19Å |
| 260 | L | 96.4 | Very high | 97.3 | Very high | 91 Ų | 91 | 55.2 Ų | 55.2 | 48% | 0.476 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.1 | -24.8 | -177.4 | -65.3 | 174.1 | 0 | 0 | 0 | 111.8 | A256 F262 I263 | A256-L260 VanDerWaalsContact O-CB 3.26Å; A256-L260 WeakPolarHBondContact O-CB 3.49Å; A256-L260 WeakPolarHBondContact O-CG 3.47Å; A256-L260 PolarHBondContact O-N 2.83Å; L260-F262 PolarHBondContact O-N 3.3Å; L260-F262 VanDerWaalsContact O-N 3.17Å; L260-I263 HydrophobicContact CD2-CD1 3.55Å; L260-I263 HydrophobicContact CD2-CG1 4.22Å; L260-I263 WeakPolarHBondContact O-CG1 3.45Å; L260-I263 PolarHBondContact O-N 2.89Å |
| 261 | G | 94.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | H217 I257 L259 | H217-G261 PolarHBondContact CD2-O 3.41Å; I257-G261 PolarHBondContact O-N 3.46Å; L259-G261 PolarHBondContact O-N 3.34Å |
| 262 | F | 96.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 60.8 Ų | 60.8 | 15% | 0.145 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.5 | 174.9 | -78.1 | -72.7 | 0 | 0 | 0 | 114.6 | L171 L174 F214 P218 L259 L260 W265 | L171-F262 HydrophobicContact CD2-CD2 4.09Å; L171-F262 HydrophobicContact CD2-CE2 3.39Å; L171-F262 HydrophobicContact CD2-CZ 4.18Å; L174-F262 HydrophobicContact CB-CE1 4.31Å; L174-F262 HydrophobicContact CB-CE2 4.27Å; L174-F262 HydrophobicContact CB-CZ 3.64Å; L174-F262 HydrophobicContact CD1-CE2 4.19Å; L174-F262 HydrophobicContact CD1-CZ 4.39Å; F214-F262 AromaticContact CE1-CD1 3.9Å; F214-F262 HydrophobicContact CE1-CD1 3.9Å; F214-F262 AromaticContact CE1-CE1 3.95Å; F214-F262 HydrophobicContact CE1-CE1 3.95Å; F214-F262 HydrophobicContact CE2-CD1 4.19Å; F214-F262 AromaticContact CZ-CD1 3.66Å; F214-F262 HydrophobicContact CZ-CD1 3.66Å; F214-F262 HydrophobicContact CZ-CE1 4.15Å; P218-F262 HydrophobicContact CB-CE1 4.11Å; P218-F262 HydrophobicContact CB-CZ 4.12Å; P218-F262 HydrophobicContact CG-CD1 3.64Å; P218-F262 HydrophobicContact CG-CE1 3.55Å; P218-F262 HydrophobicContact CG-CG 4.18Å; P218-F262 HydrophobicContact CG-CZ 4.01Å; L259-F262 PolarHBondContact O-N 3.19Å; L260-F262 PolarHBondContact O-N 3.3Å; L260-F262 VanDerWaalsContact O-N 3.17Å; F262-W265 WeakPolarHBondContact O-CZ3 3.46Å |
| 263 | I | 96.6 | Very high | 97 | Very high | 115 Ų | 115 | 57.3 Ų | 57.3 | 59% | 0.59 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.9 | 0.1 | -178.7 | 68.8 | 169.4 | 0 | 0 | 0 | 114 | L260 | L260-I263 HydrophobicContact CD2-CD1 3.55Å; L260-I263 HydrophobicContact CD2-CG1 4.22Å; L260-I263 WeakPolarHBondContact O-CG1 3.45Å; L260-I263 PolarHBondContact O-N 2.89Å |
| 264 | V | 97.5 | Very high | 96.8 | Very high | 51 Ų | 51 | 56 Ų | 56 | 31% | 0.309 | 31% | 0.314 | S | S | . | . | trans | -114.4 | 3.3 | -176.5 | -58.5 | 0 | 0 | 0 | 0 | 113.6 | H217 A266 H267 | H217-V264 WeakPolarHBondContact CD2-CG2 3.12Å; H217-V264 WeakPolarHBondContact NE2-CG2 3.34Å; V264-A266 PolarHBondContact O-N 3.43Å; V264-H267 VanDerWaalsContact O-CG 3.25Å; V264-H267 PolarHBondContact O-N 3.37Å; V264-H267 VanDerWaalsContact O-N 3.16Å; V264-H267 PolarHBondContact O-ND1 2.96Å | ||
| 265 | W | 98.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 59.7 Ų | 59.7 | 25% | 0.254 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -57.5 | -30.7 | -171.4 | 76.6 | 96.3 | 0 | 0 | 0 | 114.5 | H210 W213 F214 H217 F262 H267 H268 | H210-W265 AromaticContact ND1-NE1 3.74Å; W213-W265 HydrophobicContact CB-CB 4.3Å; W213-W265 VanDerWaalsContact O-CB 3.3Å; W213-W265 WeakPolarHBondContact O-CB 3.22Å; F214-W265 HydrophobicContact CB-CG 4.32Å; F214-W265 HydrophobicContact CD2-CD2 4Å; F214-W265 HydrophobicContact CD2-CE3 4.08Å; F214-W265 HydrophobicContact CD2-CH2 4.46Å; F214-W265 HydrophobicContact CD2-CZ2 4.38Å; F214-W265 HydrophobicContact CD2-CZ3 4.3Å; F214-W265 HydrophobicContact CE2-CZ3 4.45Å; H217-W265 HydrophobicContact CB-CB 4.02Å; F262-W265 WeakPolarHBondContact O-CZ3 3.46Å; W265-H267 PolarHBondContact O-N 3.19Å; W265-H267 VanDerWaalsContact O-N 3.17Å; W265-H268 PolarHBondContact O-CD2 3.01Å; W265-H268 PolarHBondContact O-N 2.9Å |
| 266 | A | 97.1 | Very high | 96.4 | Very high | 19 Ų | 19 | 61.2 Ų | 61.2 | 16% | 0.157 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -67.7 | -11.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | V264 H268 M269 M274 | V264-A266 PolarHBondContact O-N 3.43Å; A266-H268 PolarHBondContact O-N 3.38Å; A266-H268 VanDerWaalsContact O-N 3.1Å; A266-M269 WeakPolarHBondContact O-CA 3.3Å; A266-M269 WeakPolarHBondContact O-CB 2.85Å; A266-M269 PolarHBondContact O-N 2.99Å; A266-M274 HydrophobicContact CB-CE 4.11Å; A266-M274 HydrophobicContact CB-SD 4.17Å; A266-M274 WeakPolarHBondContact O-CE 3.32Å |
| 267 | H | 97.7 | Very high | 96.3 | Very high | 70 Ų | 70 | 65.7 Ų | 65.7 | 32% | 0.324 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -62.4 | -19.7 | 176.3 | 66.9 | -139.3 | 0 | 0 | 0 | 113.9 | H217 V264 W265 M269 F270 | H217-H267 AromaticContact CE1-CE1 3.08Å; H217-H267 PolarHBondContact CE1-CE1 3.22Å; H217-H267 AromaticContact CE1-NE2 3.51Å; H217-H267 AromaticContact ND1-CE1 3.12Å; H217-H267 PolarHBondContact ND1-CE1 2.75Å; H217-H267 AromaticContact ND1-NE2 3.17Å; H217-H267 PolarHBondContact ND1-NE2 2.7Å; H217-H267 VanDerWaalsContact ND1-NE2 3.17Å; H217-H267 AromaticContact NE2-CE1 3.9Å; V264-H267 VanDerWaalsContact O-CG 3.25Å; V264-H267 PolarHBondContact O-N 3.37Å; V264-H267 VanDerWaalsContact O-N 3.16Å; V264-H267 PolarHBondContact O-ND1 2.96Å; W265-H267 PolarHBondContact O-N 3.19Å; W265-H267 VanDerWaalsContact O-N 3.17Å; H267-M269 PolarHBondContact O-N 3.15Å; H267-F270 HydrophobicContact CB-CD2 4.39Å; H267-F270 HydrophobicContact CB-CE1 4.13Å; H267-F270 HydrophobicContact CB-CE2 3.69Å; H267-F270 HydrophobicContact CB-CZ 3.55Å; H267-F270 WeakPolarHBondContact O-CD2 3.37Å |
| 268 | H | 97.9 | Very high | 96 | Very high | 68 Ų | 68 | 67 Ų | 67 | 32% | 0.315 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -77.8 | -6.1 | 174.7 | -64.2 | -74.7 | 0 | 0 | 0 | 112.9 | W213 H217 W265 A266 | W213-H268 HydrophobicContact CD2-CB 3.42Å; W213-H268 VanDerWaalsContact CD2-CB 3.42Å; W213-H268 AromaticContact CD2-CD2 3.55Å; W213-H268 AromaticContact CD2-CG 3.57Å; W213-H268 AromaticContact CE2-CG 3.76Å; W213-H268 HydrophobicContact CE3-CB 4Å; W213-H268 AromaticContact CE3-CD2 3.26Å; W213-H268 AromaticContact CE3-CG 3.58Å; W213-H268 AromaticContact CE3-NE2 3.55Å; W213-H268 HydrophobicContact CG-CB 3.69Å; W213-H268 HydrophobicContact CH2-CB 4.33Å; W213-H268 AromaticContact CH2-ND1 3.84Å; W213-H268 HydrophobicContact CZ2-CB 3.8Å; W213-H268 HydrophobicContact CZ3-CB 4.41Å; W213-H268 AromaticContact CZ3-CD2 3.74Å; W213-H268 AromaticContact CZ3-CE1 3.67Å; W213-H268 AromaticContact CZ3-CG 3.81Å; W213-H268 AromaticContact CZ3-ND1 3.81Å; W213-H268 AromaticContact CZ3-NE2 3.62Å; H217-H268 AromaticContact ND1-NE2 3.41Å; H217-H268 PolarHBondContact ND1-NE2 3.3Å; W265-H268 PolarHBondContact O-CD2 3.01Å; W265-H268 PolarHBondContact O-N 2.9Å; A266-H268 PolarHBondContact O-N 3.38Å; A266-H268 VanDerWaalsContact O-N 3.1Å |
| 269 | M | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -118.2 | 12.2 | -171.9 | -56.6 | 175.3 | 59.6 | 0 | 0 | 112.2 | I206 Q209 H210 W213 A266 H267 T271 V272 M274 | I206-M269 HydrophobicContact CG2-CE 3.72Å; Q209-M269 HydrophobicContact CB-CE 3.58Å; Q209-M269 HydrophobicContact CB-CG 4.36Å; Q209-M269 HydrophobicContact CB-SD 4.01Å; H210-M269 HydrophobicContact CB-CE 4.43Å; H210-M269 VanDerWaalsContact CE1-CE 3.48Å; H210-M269 WeakPolarHBondContact CE1-CE 3.26Å; H210-M269 WeakPolarHBondContact NE2-CE 3.34Å; W213-M269 HydrophobicContact CG-CG 4.48Å; A266-M269 WeakPolarHBondContact O-CA 3.3Å; A266-M269 WeakPolarHBondContact O-CB 2.85Å; A266-M269 PolarHBondContact O-N 2.99Å; H267-M269 PolarHBondContact O-N 3.15Å; M269-T271 PolarHBondContact O-N 3.26Å; M269-V272 HydrophobicContact CB-CG1 4.11Å; M269-V272 HydrophobicContact CB-CG2 4.05Å; M269-V272 HydrophobicContact CE-CG2 4.18Å; M269-V272 VanDerWaalsContact O-CG2 3.23Å; M269-V272 WeakPolarHBondContact O-CG2 3.47Å; M269-V272 PolarHBondContact O-N 3.08Å; M269-M274 HydrophobicContact CB-CE 4.12Å; M269-M274 HydrophobicContact CB-SD 4.31Å |
| 270 | F | 96.4 | Very high | 95.4 | Very high | 96 Ų | 96 | 72.2 Ų | 72.2 | 42% | 0.421 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -19.6 | -174.9 | -71.8 | -25.7 | 0 | 0 | 0 | 115.3 | H267 M274 R279 | H267-F270 HydrophobicContact CB-CD2 4.39Å; H267-F270 HydrophobicContact CB-CE1 4.13Å; H267-F270 HydrophobicContact CB-CE2 3.69Å; H267-F270 HydrophobicContact CB-CZ 3.55Å; H267-F270 WeakPolarHBondContact O-CD2 3.37Å; F270-M274 HydrophobicContact CD1-CE 3.72Å; F270-M274 HydrophobicContact CE1-CE 4.31Å; F270-R279 HydrophobicContact CD1-CB 4.39Å; F270-R279 HydrophobicContact CD1-CG 3.87Å; F270-R279 HydrophobicContact CE1-CB 4.38Å; F270-R279 HydrophobicContact CE1-CG 4.26Å |
| 271 | T | 95.6 | Very high | 95.3 | Very high | 138 Ų | 138 | 71.3 Ų | 71.3 | 85% | 0.847 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -3.3 | 179 | 54.9 | 0 | 0 | 0 | 0 | 114.1 | M269 G273 | M269-T271 PolarHBondContact O-N 3.26Å; T271-G273 VanDerWaalsContact C-N 3.25Å; T271-G273 PolarHBondContact O-N 3.42Å |
| 272 | V | 95.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 75.1 Ų | 75.1 | 23% | 0.23 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -82.7 | 2.3 | -177.1 | -47.5 | 0 | 0 | 0 | 0 | 114 | I206 M269 M274 | I206-V272 HydrophobicContact CD1-CB 4.35Å; I206-V272 HydrophobicContact CG2-CG2 4.08Å; M269-V272 HydrophobicContact CB-CG1 4.11Å; M269-V272 HydrophobicContact CB-CG2 4.05Å; M269-V272 HydrophobicContact CE-CG2 4.18Å; M269-V272 VanDerWaalsContact O-CG2 3.23Å; M269-V272 WeakPolarHBondContact O-CG2 3.47Å; M269-V272 PolarHBondContact O-N 3.08Å; V272-M274 HydrophobicContact CG2-CG 3.82Å |
| 273 | G | 95.1 | Very high | 95.3 | Very high | 69 Ų | 69 | 77.4 Ų | 77.4 | 71% | 0.711 | 45% | 0.446 | S | S | * | . | trans | 86.9 | 27.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.8 | T271 | T271-G273 VanDerWaalsContact C-N 3.25Å; T271-G273 PolarHBondContact O-N 3.42Å | ||
| 274 | M | 94 | Very high | 95.2 | Very high | 23 Ų | 23 | 75.2 Ų | 75.2 | 11% | 0.113 | 44% | 0.438 | C | S | . | . | trans | -59.1 | 154.3 | 170.3 | -63 | -170.7 | -60.4 | 0 | 0 | 111.5 | A266 M269 F270 V272 T278 R279 | A266-M274 HydrophobicContact CB-CE 4.11Å; A266-M274 HydrophobicContact CB-SD 4.17Å; A266-M274 WeakPolarHBondContact O-CE 3.32Å; M269-M274 HydrophobicContact CB-CE 4.12Å; M269-M274 HydrophobicContact CB-SD 4.31Å; F270-M274 HydrophobicContact CD1-CE 3.72Å; F270-M274 HydrophobicContact CE1-CE 4.31Å; V272-M274 HydrophobicContact CG2-CG 3.82Å; M274-T278 HydrophobicContact CB-CG2 4.47Å; M274-T278 HydrophobicContact SD-CG2 4.02Å; M274-R279 HydrophobicContact CB-CG 4.09Å; M274-R279 HydrophobicContact CE-CG 4.07Å; M274-R279 PolarHBondContact O-NE 3.03Å; M274-R279 VanDerWaalsContact O-NE 3.08Å | ||
| 275 | D | 94.6 | Very high | 95.1 | Very high | 85 Ų | 85 | 76.7 Ų | 76.7 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | trans | -60.1 | 161.8 | 177.2 | 67.4 | -85.6 | 0 | 0 | 0 | 111.9 | D277 T278 R279 | D275-D277 VanDerWaalsContact C-N 3.3Å; D275-D277 PolarHBondContact O-N 2.94Å; D275-D277 PolarHBondContact OD2-N 3.38Å; D275-D277 VanDerWaalsContact OD2-N 3.1Å; D275-T278 WeakPolarHBondContact OD1-CB 3.25Å; D275-T278 PolarHBondContact OD1-OG1 3.47Å; D275-T278 WeakPolarHBondContact OD2-CB 3.48Å; D275-T278 PolarHBondContact OD2-N 2.65Å; D275-T278 PolarHBondContact OD2-OG1 2.89Å; D275-T278 VanDerWaalsContact OD2-OG1 3.1Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.36Å; D275-R279 PolarHBondContact O-NE 2.94Å; D275-R279 VanDerWaalsContact O-NE 3.13Å | ||
| 276 | V | 94.3 | Very high | 94.9 | Very high | 99 Ų | 99 | 77.3 Ų | 77.3 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.6 | -36.5 | -176.1 | 178 | 0 | 0 | 0 | 0 | 110.9 | R279 A280 | V276-R279 PolarHBondContact O-N 3.49Å; V276-A280 WeakPolarHBondContact O-CB 3.39Å; V276-A280 PolarHBondContact O-N 3.45Å |
| 277 | D | 95.4 | Very high | 94.7 | Very high | 136 Ų | 136 | 81.5 Ų | 81.5 | 73% | 0.727 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -74.1 | -36.8 | -174.6 | -61.7 | -26.8 | 0 | 0 | 0 | 111.6 | D275 R279 A280 | D275-D277 VanDerWaalsContact C-N 3.3Å; D275-D277 PolarHBondContact O-N 2.94Å; D275-D277 PolarHBondContact OD2-N 3.38Å; D275-D277 VanDerWaalsContact OD2-N 3.1Å; D277-R279 PolarHBondContact O-N 3.21Å; D277-A280 PolarHBondContact O-N 3.13Å |
| 278 | T | 91.4 | Very high | 94.5 | Very high | 78 Ų | 78 | 82.4 Ų | 82.4 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -26.5 | 172.6 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | M274 D275 | M274-T278 HydrophobicContact CB-CG2 4.47Å; M274-T278 HydrophobicContact SD-CG2 4.02Å; D275-T278 WeakPolarHBondContact OD1-CB 3.25Å; D275-T278 PolarHBondContact OD1-OG1 3.47Å; D275-T278 WeakPolarHBondContact OD2-CB 3.48Å; D275-T278 PolarHBondContact OD2-N 2.65Å; D275-T278 PolarHBondContact OD2-OG1 2.89Å; D275-T278 VanDerWaalsContact OD2-OG1 3.1Å |
| 279 | R | 92.3 | Very high | 94.2 | Very high | 109 Ų | 109 | 83.6 Ų | 83.6 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -88.3 | -22.1 | 177.7 | -70.1 | -177.3 | -68.8 | 158.9 | -0.1 | 113.6 | F270 M274 D275 V276 D277 | F270-R279 HydrophobicContact CD1-CB 4.39Å; F270-R279 HydrophobicContact CD1-CG 3.87Å; F270-R279 HydrophobicContact CE1-CB 4.38Å; F270-R279 HydrophobicContact CE1-CG 4.26Å; M274-R279 HydrophobicContact CB-CG 4.09Å; M274-R279 HydrophobicContact CE-CG 4.07Å; M274-R279 PolarHBondContact O-NE 3.03Å; M274-R279 VanDerWaalsContact O-NE 3.08Å; D275-R279 WeakPolarHBondContact O-CG 3.46Å; D275-R279 PolarHBondContact O-N 3.36Å; D275-R279 PolarHBondContact O-NE 2.94Å; D275-R279 VanDerWaalsContact O-NE 3.13Å; V276-R279 PolarHBondContact O-N 3.49Å; D277-R279 PolarHBondContact O-N 3.21Å |
| 280 | A | 88.7 | Confident | 93.9 | Very high | 132 Ų | 132 | 91.2 Ų | 91.2 | 100% | 1.091 | 55% | 0.553 | S | S | * | * | trans | -77.7 | 0 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V276 D277 | V276-A280 WeakPolarHBondContact O-CB 3.39Å; V276-A280 PolarHBondContact O-N 3.45Å; D277-A280 PolarHBondContact O-N 3.13Å |
Retrieved 280 of 280 residues in 238.8 ms
(Link to these results)