| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.8 | Very low | 46.7 | Very low | 57 Ų | 57 | 62.3 Ų | 62.3 | 28% | 0.281 | 33% | 0.334 | S | S | . | . | 0 | -59.9 | 0 | -159.5 | 142.3 | 72.8 | 0 | 0 | 110.8 | F3 F4 L5 L49 Q50 | M1-F3 PolarHBondContact O-N 2.77Å; M1-F3 VanDerWaalsContact O-N 3.09Å; M1-F4 PolarHBondContact O-N 3.3Å; M1-L5 HydrophobicContact CG-CD1 3.72Å; M1-L5 WeakPolarHBondContact O-CD1 3.48Å; M1-L5 WeakPolarHBondContact O-CG 3.41Å; M1-L5 PolarHBondContact O-N 3.03Å; M1-L49 HydrophobicContact CE-CB 3.72Å; M1-L49 HydrophobicContact CG-CD1 4.47Å; M1-L49 HydrophobicContact SD-CB 3.5Å; M1-L49 VanDerWaalsContact SD-CB 3.5Å; M1-L49 HydrophobicContact SD-CD1 3.88Å; M1-L49 HydrophobicContact SD-CG 4.3Å; M1-Q50 HydrophobicContact CE-CB 4.33Å; M1-Q50 HydrophobicContact CE-CG 3.31Å | |||
| 2 | E | 38 | Very low | 46.7 | Very low | 149 Ų | 149 | 66.3 Ų | 66.3 | 70% | 0.696 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -45.3 | -41.5 | 171.8 | -157.6 | 172.8 | -171.6 | 0 | 0 | 112.9 | L5 N6 | E2-L5 PolarHBondContact O-N 2.97Å; E2-N6 WeakPolarHBondContact O-CB 3.34Å; E2-N6 VanDerWaalsContact O-CG 3.3Å; E2-N6 PolarHBondContact O-N 3.35Å |
| 3 | F | 44.4 | Very low | 47.1 | Very low | 31 Ų | 31 | 63.7 Ų | 63.7 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -57.1 | -53.3 | 172 | 176.5 | -93.1 | 0 | 0 | 0 | 116.3 | M1 L5 K7 V107 Y110 L111 | M1-F3 PolarHBondContact O-N 2.77Å; M1-F3 VanDerWaalsContact O-N 3.09Å; F3-L5 PolarHBondContact O-N 3.31Å; F3-K7 HydrophobicContact CE1-CG 4.4Å; F3-K7 HydrophobicContact CZ-CG 4.4Å; F3-K7 WeakPolarHBondContact O-CG 3.41Å; F3-K7 PolarHBondContact O-N 3.25Å; F3-V107 HydrophobicContact CE1-CG1 3.89Å; F3-V107 HydrophobicContact CZ-CG1 3.92Å; F3-Y110 HydrophobicContact CD2-CD1 4.35Å; F3-Y110 AromaticContact CD2-CE1 3.98Å; F3-Y110 HydrophobicContact CD2-CE1 3.98Å; F3-Y110 AromaticContact CE2-CD1 3.28Å; F3-Y110 HydrophobicContact CE2-CD1 3.28Å; F3-Y110 AromaticContact CE2-CE1 3.32Å; F3-Y110 HydrophobicContact CE2-CE1 3.32Å; F3-Y110 AromaticContact CZ-CD1 3.72Å; F3-Y110 HydrophobicContact CZ-CD1 3.72Å; F3-Y110 HydrophobicContact CZ-CE1 4.11Å; F3-L111 HydrophobicContact CD1-CD2 3.97Å; F3-L111 HydrophobicContact CD2-CD2 3.38Å; F3-L111 HydrophobicContact CD2-CG 4.26Å; F3-L111 HydrophobicContact CE1-CD1 4.39Å; F3-L111 HydrophobicContact CE1-CD2 3.77Å; F3-L111 HydrophobicContact CE1-CG 4Å; F3-L111 HydrophobicContact CE2-CB 4.37Å; F3-L111 HydrophobicContact CE2-CD2 3.08Å; F3-L111 HydrophobicContact CE2-CG 3.46Å; F3-L111 VanDerWaalsContact CE2-CG 3.46Å; F3-L111 HydrophobicContact CG-CD2 3.81Å; F3-L111 HydrophobicContact CZ-CD1 4.14Å; F3-L111 HydrophobicContact CZ-CD2 3.35Å; F3-L111 HydrophobicContact CZ-CG 3.35Å |
| 4 | F | 46.5 | Very low | 48.2 | Very low | 68 Ų | 68 | 66 Ų | 66 | 30% | 0.298 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.3 | -26.8 | -177.4 | -82.8 | -84.5 | 0 | 0 | 0 | 111 | M1 K7 I8 V13 A65 F101 | M1-F4 PolarHBondContact O-N 3.3Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.2Å; F4-I8 PolarHBondContact O-N 3.22Å; F4-V13 HydrophobicContact CD1-CG2 4.1Å; F4-A65 HydrophobicContact CE2-CB 4.26Å; F4-A65 HydrophobicContact CZ-CB 4.44Å; F4-F101 HydrophobicContact CE1-CZ 4.33Å; F4-F101 HydrophobicContact CZ-CE2 4.47Å; F4-F101 AromaticContact CZ-CZ 3.88Å; F4-F101 HydrophobicContact CZ-CZ 3.88Å |
| 5 | L | 47.8 | Very low | 49.6 | Very low | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.058 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -86.3 | -37.2 | -176.2 | -62.5 | 164.5 | 0 | 0 | 0 | 111.7 | M1 E2 F3 K7 I8 I9 L18 W41 F46 | M1-L5 HydrophobicContact CG-CD1 3.72Å; M1-L5 WeakPolarHBondContact O-CD1 3.48Å; M1-L5 WeakPolarHBondContact O-CG 3.41Å; M1-L5 PolarHBondContact O-N 3.03Å; E2-L5 PolarHBondContact O-N 2.97Å; F3-L5 PolarHBondContact O-N 3.31Å; L5-K7 PolarHBondContact O-N 3.27Å; L5-I8 HydrophobicContact CD2-CD1 4.07Å; L5-I8 PolarHBondContact O-N 3.48Å; L5-I9 PolarHBondContact O-N 3.19Å; L5-L18 HydrophobicContact CD2-CD2 4.09Å; L5-W41 HydrophobicContact CD2-CD2 3.83Å; L5-W41 HydrophobicContact CD2-CE3 3.51Å; L5-W41 HydrophobicContact CD2-CH2 4.25Å; L5-W41 HydrophobicContact CD2-CZ3 3.74Å; L5-F46 HydrophobicContact CD1-CD1 3.69Å; L5-F46 HydrophobicContact CD1-CE1 3.53Å; L5-F46 HydrophobicContact CD2-CE1 4.47Å; L5-F46 HydrophobicContact CG-CE1 4.4Å |
| 6 | N | 48.1 | Very low | 51.1 | Low | 54 Ų | 54 | 64 Ų | 64 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -55.9 | -34.5 | 164.6 | -73.7 | -13.1 | 0 | 0 | 0 | 110.9 | E2 I9 E10 | E2-N6 WeakPolarHBondContact O-CB 3.34Å; E2-N6 VanDerWaalsContact O-CG 3.3Å; E2-N6 PolarHBondContact O-N 3.35Å; N6-I9 PolarHBondContact O-N 3.14Å; N6-E10 WeakPolarHBondContact O-CB 3.47Å; N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 2.98Å |
| 7 | K | 43.1 | Very low | 52 | Low | 1 Ų | 1 | 66.2 Ų | 66.2 | 0% | 0.004 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -72.3 | -30 | 174.2 | -66.8 | -73 | 165.7 | -149 | 0 | 114.5 | F3 F4 L5 E10 G11 Q12 V13 Y110 | F3-K7 HydrophobicContact CE1-CG 4.4Å; F3-K7 HydrophobicContact CZ-CG 4.4Å; F3-K7 WeakPolarHBondContact O-CG 3.41Å; F3-K7 PolarHBondContact O-N 3.25Å; F4-K7 WeakPolarHBondContact O-CB 3.46Å; F4-K7 PolarHBondContact O-N 3.2Å; L5-K7 PolarHBondContact O-N 3.27Å; K7-E10 IonicContact NZ-OE2 3.79Å; K7-E10 PolarHBondContact NZ-OE2 2.96Å; K7-E10 CarbonylContact O-C 3.53Å; K7-E10 PolarHBondContact O-N 2.92Å; K7-G11 CarbonylContact O-C 3.41Å; K7-G11 PolarHBondContact O-N 3.28Å; K7-Q12 HydrophobicContact CB-CB 4.12Å; K7-Q12 HydrophobicContact CD-CB 3.44Å; K7-Q12 VanDerWaalsContact CD-CB 3.44Å; K7-Q12 HydrophobicContact CD-CG 4.07Å; K7-Q12 HydrophobicContact CG-CB 4.37Å; K7-Q12 PolarHBondContact O-N 2.99Å; K7-V13 HydrophobicContact CB-CB 3.86Å; K7-V13 HydrophobicContact CB-CG2 3.39Å; K7-V13 HydrophobicContact CG-CG2 4.17Å; K7-V13 PolarHBondContact O-N 3.42Å; K7-Y110 VanDerWaalsContact NZ-CD2 3.27Å; K7-Y110 VanDerWaalsContact NZ-CG 3.27Å |
| 8 | I | 48.2 | Very low | 52.9 | Low | 20 Ų | 20 | 64.8 Ų | 64.8 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 170.2 | -69.2 | 178.1 | 0 | 0 | 0 | 109.6 | F4 L5 E10 G11 V13 E15 L18 W41 | F4-I8 PolarHBondContact O-N 3.22Å; L5-I8 HydrophobicContact CD2-CD1 4.07Å; L5-I8 PolarHBondContact O-N 3.48Å; I8-E10 VanDerWaalsContact C-N 3.28Å; I8-E10 PolarHBondContact O-N 3.17Å; I8-G11 PolarHBondContact O-N 3.06Å; I8-V13 HydrophobicContact CD1-CG1 4.5Å; I8-V13 HydrophobicContact CG1-CB 4.07Å; I8-V13 HydrophobicContact CG1-CG1 3.94Å; I8-E15 HydrophobicContact CD1-CB 4.43Å; I8-E15 HydrophobicContact CD1-CG 4.48Å; I8-E15 HydrophobicContact CG2-CB 4.03Å; I8-E15 HydrophobicContact CG2-CG 4.21Å; I8-L18 HydrophobicContact CD1-CB 4.44Å; I8-L18 HydrophobicContact CD1-CD2 3.56Å; I8-W41 HydrophobicContact CD1-CH2 4.35Å; I8-W41 HydrophobicContact CD1-CZ2 3.62Å |
| 9 | I | 50.7 | Low | 54.2 | Low | 135 Ų | 135 | 62.8 Ų | 62.8 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -38.2 | 176.2 | -65.4 | 162.9 | 0 | 0 | 0 | 111.2 | L5 N6 G11 | L5-I9 PolarHBondContact O-N 3.19Å; N6-I9 PolarHBondContact O-N 3.14Å; I9-G11 VanDerWaalsContact C-N 3.33Å |
| 10 | E | 55 | Low | 55.3 | Low | 92 Ų | 92 | 67.1 Ų | 67.1 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.7 | 175.9 | -69.3 | 170.7 | -168.7 | 0 | 0 | 114.4 | N6 K7 I8 Q12 | N6-E10 WeakPolarHBondContact O-CB 3.47Å; N6-E10 WeakPolarHBondContact O-CG 3.41Å; N6-E10 PolarHBondContact O-N 2.98Å; K7-E10 IonicContact NZ-OE2 3.79Å; K7-E10 PolarHBondContact NZ-OE2 2.96Å; K7-E10 CarbonylContact O-C 3.53Å; K7-E10 PolarHBondContact O-N 2.92Å; I8-E10 VanDerWaalsContact C-N 3.28Å; I8-E10 PolarHBondContact O-N 3.17Å; E10-Q12 VanDerWaalsContact C-N 3.34Å; E10-Q12 HydrophobicContact CB-CG 4.26Å; E10-Q12 PolarHBondContact O-N 3.38Å |
| 11 | G | 50 | Low | 56.2 | Low | 67 Ų | 67 | 68.2 Ų | 68.2 | 69% | 0.691 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 21.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K7 I8 I9 | K7-G11 CarbonylContact O-C 3.41Å; K7-G11 PolarHBondContact O-N 3.28Å; I8-G11 PolarHBondContact O-N 3.06Å; I9-G11 VanDerWaalsContact C-N 3.33Å |
| 12 | Q | 46.6 | Very low | 57.9 | Low | 111 Ų | 111 | 65.6 Ų | 65.6 | 52% | 0.519 | 34% | 0.342 | S | S | . | . | trans | -103 | -14.5 | -177.3 | -65.1 | -166.9 | 6.9 | 0 | 0 | 114.7 | K7 E10 | K7-Q12 HydrophobicContact CB-CB 4.12Å; K7-Q12 HydrophobicContact CD-CB 3.44Å; K7-Q12 VanDerWaalsContact CD-CB 3.44Å; K7-Q12 HydrophobicContact CD-CG 4.07Å; K7-Q12 HydrophobicContact CG-CB 4.37Å; K7-Q12 PolarHBondContact O-N 2.99Å; E10-Q12 VanDerWaalsContact C-N 3.34Å; E10-Q12 HydrophobicContact CB-CG 4.26Å; E10-Q12 PolarHBondContact O-N 3.38Å | ||
| 13 | V | 52.1 | Low | 59.9 | Low | 32 Ų | 32 | 62.4 Ų | 62.4 | 19% | 0.194 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -112.6 | 130.6 | 167.6 | 164.9 | 0 | 0 | 0 | 0 | 106.7 | F4 K7 I8 E15 | F4-V13 HydrophobicContact CD1-CG2 4.1Å; K7-V13 HydrophobicContact CB-CB 3.86Å; K7-V13 HydrophobicContact CB-CG2 3.39Å; K7-V13 HydrophobicContact CG-CG2 4.17Å; K7-V13 PolarHBondContact O-N 3.42Å; I8-V13 HydrophobicContact CD1-CG1 4.5Å; I8-V13 HydrophobicContact CG1-CB 4.07Å; I8-V13 HydrophobicContact CG1-CG1 3.94Å; V13-E15 PolarHBondContact O-N 3.44Å |
| 14 | D | 62.9 | Low | 61.4 | Low | 96 Ų | 96 | 65 Ų | 65 | 51% | 0.513 | 36% | 0.358 | S | S | . | . | trans | -67.8 | 107.8 | 175 | -166.3 | -21.3 | 0 | 0 | 0 | 108.6 | A16 D17 L18 | D14-A16 PolarHBondContact O-N 2.95Å; D14-A16 WeakPolarHBondContact OD1-CA 3.45Å; D14-A16 WeakPolarHBondContact OD1-CB 3.37Å; D14-A16 PolarHBondContact OD1-N 3.43Å; D14-D17 HydrophobicContact CB-CB 4.31Å; D14-D17 PolarHBondContact O-N 3.37Å; D14-D17 VanDerWaalsContact O-N 3.09Å; D14-L18 PolarHBondContact O-N 3.34Å | ||
| 15 | E | 68.4 | Low | 62.8 | Low | 44 Ų | 44 | 62.1 Ų | 62.1 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -54.8 | -33.4 | 175.1 | 179.5 | 170.2 | -142.4 | 0 | 0 | 111.7 | I8 V13 D17 L18 L19 P38 G39 W41 | I8-E15 HydrophobicContact CD1-CB 4.43Å; I8-E15 HydrophobicContact CD1-CG 4.48Å; I8-E15 HydrophobicContact CG2-CB 4.03Å; I8-E15 HydrophobicContact CG2-CG 4.21Å; V13-E15 PolarHBondContact O-N 3.44Å; E15-D17 VanDerWaalsContact C-N 3.31Å; E15-D17 PolarHBondContact O-N 2.98Å; E15-L18 PolarHBondContact O-N 2.98Å; E15-L19 HydrophobicContact CG-CD1 3.82Å; E15-L19 HydrophobicContact CG-CG 4.15Å; E15-L19 WeakPolarHBondContact O-CB 3.37Å; E15-L19 VanDerWaalsContact O-CG 3.32Å; E15-L19 WeakPolarHBondContact O-CG 3.23Å; E15-L19 PolarHBondContact O-N 3.25Å; E15-P38 VanDerWaalsContact OE1-CA 3.31Å; E15-P38 WeakPolarHBondContact OE1-CA 3.31Å; E15-G39 PolarHBondContact OE1-N 2.88Å; E15-W41 HydrophobicContact CG-CZ2 4.33Å; E15-W41 PolarHBondContact OE1-NE1 2.87Å |
| 16 | A | 73.5 | Confident | 64.2 | Low | 56 Ų | 56 | 68.3 Ų | 68.3 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | D14 K20 | D14-A16 PolarHBondContact O-N 2.95Å; D14-A16 WeakPolarHBondContact OD1-CA 3.45Å; D14-A16 WeakPolarHBondContact OD1-CB 3.37Å; D14-A16 PolarHBondContact OD1-N 3.43Å; A16-K20 WeakPolarHBondContact O-CB 3.45Å; A16-K20 PolarHBondContact O-N 3.16Å |
| 17 | D | 67 | Low | 65.4 | Low | 102 Ų | 102 | 68.1 Ų | 68.1 | 55% | 0.545 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 177.5 | -81.4 | -22.4 | 0 | 0 | 0 | 111.5 | D14 E15 K20 W21 | D14-D17 HydrophobicContact CB-CB 4.31Å; D14-D17 PolarHBondContact O-N 3.37Å; D14-D17 VanDerWaalsContact O-N 3.09Å; E15-D17 VanDerWaalsContact C-N 3.31Å; E15-D17 PolarHBondContact O-N 2.98Å; D17-K20 PolarHBondContact O-N 3.27Å; D17-W21 PolarHBondContact O-N 3.11Å |
| 18 | L | 67.7 | Low | 67.1 | Low | 40 Ų | 40 | 68.2 Ų | 68.2 | 21% | 0.209 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68 | -44.9 | 176.3 | -175.5 | 60.9 | 0 | 0 | 0 | 111.4 | L5 I8 D14 E15 K20 W21 I22 W41 | L5-L18 HydrophobicContact CD2-CD2 4.09Å; I8-L18 HydrophobicContact CD1-CB 4.44Å; I8-L18 HydrophobicContact CD1-CD2 3.56Å; D14-L18 PolarHBondContact O-N 3.34Å; E15-L18 PolarHBondContact O-N 2.98Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3Å; L18-W21 HydrophobicContact CD1-CE3 4.15Å; L18-W21 WeakPolarHBondContact O-CB 3.46Å; L18-W21 PolarHBondContact O-N 2.89Å; L18-I22 HydrophobicContact CG-CD1 4.1Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 2.92Å; L18-W41 HydrophobicContact CD2-CH2 3.37Å; L18-W41 HydrophobicContact CD2-CZ2 3.85Å; L18-W41 HydrophobicContact CD2-CZ3 4.06Å; L18-W41 HydrophobicContact CG-CH2 3.96Å |
| 19 | L | 78.4 | Confident | 69 | Low | 28 Ų | 28 | 70.2 Ų | 70.2 | 15% | 0.147 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.4 | -36.4 | 175.6 | -71.7 | 174.8 | 0 | 0 | 0 | 111.8 | E15 I22 S23 F36 P38 W41 | E15-L19 HydrophobicContact CG-CD1 3.82Å; E15-L19 HydrophobicContact CG-CG 4.15Å; E15-L19 WeakPolarHBondContact O-CB 3.37Å; E15-L19 VanDerWaalsContact O-CG 3.32Å; E15-L19 WeakPolarHBondContact O-CG 3.23Å; E15-L19 PolarHBondContact O-N 3.25Å; L19-I22 PolarHBondContact O-N 2.96Å; L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.28Å; L19-S23 PolarHBondContact O-N 3.17Å; L19-S23 PolarHBondContact O-OG 3.39Å; L19-F36 HydrophobicContact CD2-CB 3.93Å; L19-P38 HydrophobicContact CD1-CB 4.48Å; L19-P38 HydrophobicContact CD1-CG 3.82Å; L19-W41 HydrophobicContact CD2-CH2 4.49Å; L19-W41 HydrophobicContact CD2-CZ2 4.33Å |
| 20 | K | 76.2 | Confident | 70.8 | Confident | 148 Ų | 148 | 70.2 Ų | 70.2 | 64% | 0.643 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 173.2 | -178.9 | -179.3 | 178.1 | -175.3 | 0 | 111.3 | A16 D17 L18 S23 S24 | A16-K20 WeakPolarHBondContact O-CB 3.45Å; A16-K20 PolarHBondContact O-N 3.16Å; D17-K20 PolarHBondContact O-N 3.27Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3Å; K20-S23 PolarHBondContact O-N 3.26Å; K20-S24 WeakPolarHBondContact O-CB 3.46Å; K20-S24 PolarHBondContact O-N 2.93Å; K20-S24 PolarHBondContact O-OG 3.29Å; K20-S24 VanDerWaalsContact O-OG 3.07Å |
| 21 | W | 74.4 | Confident | 72.6 | Confident | 91 Ų | 91 | 71 Ų | 71 | 35% | 0.345 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.1 | -49.1 | 174.8 | 177.2 | 83.2 | 0 | 0 | 0 | 111.3 | D17 L18 S23 S24 S25 I28 L49 V53 | D17-W21 PolarHBondContact O-N 3.11Å; L18-W21 HydrophobicContact CD1-CE3 4.15Å; L18-W21 WeakPolarHBondContact O-CB 3.46Å; L18-W21 PolarHBondContact O-N 2.89Å; W21-S23 VanDerWaalsContact C-N 3.33Å; W21-S23 PolarHBondContact O-N 3.03Å; W21-S24 WeakPolarHBondContact CA-OG 3.28Å; W21-S24 CarbonylContact O-C 3.57Å; W21-S24 PolarHBondContact O-N 3.22Å; W21-S24 VanDerWaalsContact O-N 3.15Å; W21-S24 PolarHBondContact O-OG 3.4Å; W21-S25 WeakPolarHBondContact O-CB 3.47Å; W21-S25 PolarHBondContact O-N 3.46Å; W21-I28 HydrophobicContact CZ3-CD1 4.12Å; W21-L49 HydrophobicContact CZ3-CD2 4.44Å; W21-V53 HydrophobicContact CH2-CG2 4.08Å |
| 22 | I | 76.6 | Confident | 74.6 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.5 | -48 | 176.9 | -69.1 | 166.9 | 0 | 0 | 0 | 110.7 | L18 L19 S24 S25 I28 K33 F36 W41 | L18-I22 HydrophobicContact CG-CD1 4.1Å; L18-I22 WeakPolarHBondContact O-CG1 3.26Å; L18-I22 PolarHBondContact O-N 2.92Å; L19-I22 PolarHBondContact O-N 2.96Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.44Å; I22-S25 WeakPolarHBondContact O-CB 3.17Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.14Å; I22-I28 HydrophobicContact CB-CD1 4.24Å; I22-I28 HydrophobicContact CG1-CD1 4.02Å; I22-I28 HydrophobicContact CG2-CD1 3.87Å; I22-K33 HydrophobicContact CG2-CG 4.35Å; I22-K33 VanDerWaalsContact O-CE 3.25Å; I22-K33 WeakPolarHBondContact O-CE 3.46Å; I22-F36 HydrophobicContact CD1-CB 4.17Å; I22-F36 HydrophobicContact CD1-CD1 3.57Å; I22-F36 HydrophobicContact CD1-CD2 4.49Å; I22-F36 HydrophobicContact CD1-CE1 4.01Å; I22-F36 HydrophobicContact CD1-CG 3.83Å; I22-F36 HydrophobicContact CG2-CB 4.06Å; I22-F36 HydrophobicContact CG2-CD2 3.64Å; I22-F36 HydrophobicContact CG2-CE2 4.19Å; I22-F36 HydrophobicContact CG2-CG 3.85Å; I22-W41 HydrophobicContact CD1-CH2 3.83Å; I22-W41 HydrophobicContact CD1-CZ3 4.3Å |
| 23 | S | 80.6 | Confident | 76.6 | Confident | 82 Ų | 82 | 65.8 Ų | 65.8 | 57% | 0.573 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -60.6 | -40.2 | 179.5 | -58.6 | 0 | 0 | 0 | 0 | 111.8 | L19 K20 W21 K33 | L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.28Å; L19-S23 PolarHBondContact O-N 3.17Å; L19-S23 PolarHBondContact O-OG 3.39Å; K20-S23 PolarHBondContact O-N 3.26Å; W21-S23 VanDerWaalsContact C-N 3.33Å; W21-S23 PolarHBondContact O-N 3.03Å; S23-K33 PolarHBondContact O-NZ 3.3Å |
| 24 | S | 76.4 | Confident | 78.4 | Confident | 84 Ų | 84 | 68.6 Ų | 68.6 | 59% | 0.587 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -81.7 | -12.3 | 177.7 | 64.7 | 0 | 0 | 0 | 0 | 115 | K20 W21 I22 T26 | K20-S24 WeakPolarHBondContact O-CB 3.46Å; K20-S24 PolarHBondContact O-N 2.93Å; K20-S24 PolarHBondContact O-OG 3.29Å; K20-S24 VanDerWaalsContact O-OG 3.07Å; W21-S24 WeakPolarHBondContact CA-OG 3.28Å; W21-S24 CarbonylContact O-C 3.57Å; W21-S24 PolarHBondContact O-N 3.22Å; W21-S24 VanDerWaalsContact O-N 3.15Å; W21-S24 PolarHBondContact O-OG 3.4Å; I22-S24 VanDerWaalsContact C-N 3.3Å; I22-S24 PolarHBondContact O-N 3.44Å; S24-T26 PolarHBondContact O-N 3.46Å |
| 25 | S | 74.4 | Confident | 79.6 | Confident | 8 Ų | 8 | 66.9 Ų | 66.9 | 6% | 0.056 | 38% | 0.379 | C | S | . | . | trans | -69.7 | 129.4 | -172.4 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | W21 I22 I27 K33 | W21-S25 WeakPolarHBondContact O-CB 3.47Å; W21-S25 PolarHBondContact O-N 3.46Å; I22-S25 WeakPolarHBondContact O-CB 3.17Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.14Å; S25-I27 WeakPolarHBondContact OG-CB 3.46Å; S25-I27 PolarHBondContact OG-N 2.92Å; S25-K33 WeakPolarHBondContact O-CE 3.38Å; S25-K33 PolarHBondContact O-NZ 2.98Å | ||
| 26 | T | 79.2 | Confident | 80.4 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 87% | 0.865 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -82.9 | -5.9 | 171.1 | 53.8 | 0 | 0 | 0 | 0 | 112.5 | S24 | S24-T26 PolarHBondContact O-N 3.46Š|
| 27 | I | 73.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 63.8 Ų | 63.8 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -90 | -31.6 | -173.8 | -59.9 | 157.8 | 0 | 0 | 0 | 110.7 | S25 C52 D57 | S25-I27 WeakPolarHBondContact OG-CB 3.46Å; S25-I27 PolarHBondContact OG-N 2.92Å; I27-C52 WeakPolarHBondContact CG2-O 3.28Å; I27-D57 HydrophobicContact CD1-CB 3.79Å |
| 28 | I | 78.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -88.8 | 122.1 | 177.3 | -58.2 | 172.6 | 0 | 0 | 0 | 108.3 | W21 I22 E32 K33 F36 I48 L49 C52 | W21-I28 HydrophobicContact CZ3-CD1 4.12Å; I22-I28 HydrophobicContact CB-CD1 4.24Å; I22-I28 HydrophobicContact CG1-CD1 4.02Å; I22-I28 HydrophobicContact CG2-CD1 3.87Å; I28-E32 HydrophobicContact CG2-CB 3.89Å; I28-K33 HydrophobicContact CB-CG 4.18Å; I28-K33 HydrophobicContact CG2-CG 3.76Å; I28-K33 WeakPolarHBondContact O-CE 3.47Å; I28-F36 HydrophobicContact CD1-CE2 4.5Å; I28-F36 HydrophobicContact CG2-CE2 4.12Å; I28-I48 HydrophobicContact CG2-CG2 4.45Å; I28-L49 HydrophobicContact CD1-CD2 3.94Å; I28-C52 HydrophobicContact CG1-CB 4.22Å |
| 29 | P | 87.1 | Confident | 82.2 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 40% | 0.396 | 39% | 0.387 | S | S | . | . | trans | -56.2 | 141.5 | 175.5 | -23.5 | 33.1 | 0 | 0 | 0 | 111.5 | T31 E32 K33 C52 | P29-T31 PolarHBondContact O-N 3.27Å; P29-T31 VanDerWaalsContact O-N 3.09Å; P29-E32 HydrophobicContact CB-CG 4.16Å; P29-E32 HydrophobicContact CG-CG 4.19Å; P29-E32 WeakPolarHBondContact O-CA 3.34Å; P29-E32 WeakPolarHBondContact O-CB 3.43Å; P29-E32 PolarHBondContact O-N 2.9Å; P29-K33 PolarHBondContact O-N 3.04Å; P29-C52 VanDerWaalsContact CD-SG 3.5Å | ||
| 30 | E | 89.5 | Confident | 82.3 | Confident | 136 Ų | 136 | 67.2 Ų | 67.2 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -54.1 | -33.3 | 178.9 | -71.5 | -60.1 | 143.9 | 0 | 0 | 113 | E32 K33 | E30-E32 VanDerWaalsContact C-N 3.26Å; E30-E32 PolarHBondContact O-N 2.95Å; E30-K33 PolarHBondContact O-N 3.28Å; E30-K33 WeakPolarHBondContact OE1-CE 3.26Å; E30-K33 IonicContact OE1-NZ 2.6Å; E30-K33 PolarHBondContact OE1-NZ 3.4Å |
| 31 | T | 92.6 | Very high | 82.2 | Confident | 108 Ų | 108 | 62 Ų | 62 | 66% | 0.663 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -64.2 | -30.6 | 175.9 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | P29 | P29-T31 PolarHBondContact O-N 3.27Å; P29-T31 VanDerWaalsContact O-N 3.09Å |
| 32 | E | 91.1 | Very high | 82.3 | Confident | 46 Ų | 46 | 60.5 Ų | 60.5 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -87.7 | -30.8 | 178.9 | -61.2 | -57.3 | 146.4 | 0 | 0 | 111.6 | I28 P29 E30 A34 K35 F36 I48 | I28-E32 HydrophobicContact CG2-CB 3.89Å; P29-E32 HydrophobicContact CB-CG 4.16Å; P29-E32 HydrophobicContact CG-CG 4.19Å; P29-E32 WeakPolarHBondContact O-CA 3.34Å; P29-E32 WeakPolarHBondContact O-CB 3.43Å; P29-E32 PolarHBondContact O-N 2.9Å; E30-E32 VanDerWaalsContact C-N 3.26Å; E30-E32 PolarHBondContact O-N 2.95Å; E32-A34 PolarHBondContact O-N 3.39Å; E32-K35 VanDerWaalsContact O-CB 3.31Å; E32-K35 WeakPolarHBondContact O-CB 3.36Å; E32-K35 PolarHBondContact O-N 3.19Å; E32-K35 IonicContact OE1-NZ 3.67Å; E32-K35 PolarHBondContact OE1-NZ 3.42Å; E32-K35 VanDerWaalsContact OE2-CD 3.25Å; E32-K35 WeakPolarHBondContact OE2-CD 3.48Å; E32-K35 WeakPolarHBondContact OE2-CE 3.47Å; E32-K35 IonicContact OE2-NZ 3.27Å; E32-K35 PolarHBondContact OE2-NZ 2.89Å; E32-F36 WeakPolarHBondContact O-CD2 3.39Å; E32-I48 HydrophobicContact CB-CG2 3.76Å; E32-I48 HydrophobicContact CG-CG2 4.19Å; E32-I48 WeakPolarHBondContact OE2-CD1 3.46Å; E32-I48 VanDerWaalsContact OE2-CG1 3.3Å; E32-I48 WeakPolarHBondContact OE2-CG1 3.39Å |
| 33 | K | 88.6 | Confident | 82.3 | Confident | 23 Ų | 23 | 67 Ų | 67 | 10% | 0.1 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55 | -37.9 | 176.8 | -70.4 | -174.6 | -174.5 | 177.7 | 0 | 112.8 | I22 S23 S25 I28 P29 E30 K35 F36 | I22-K33 HydrophobicContact CG2-CG 4.35Å; I22-K33 VanDerWaalsContact O-CE 3.25Å; I22-K33 WeakPolarHBondContact O-CE 3.46Å; S23-K33 PolarHBondContact O-NZ 3.3Å; S25-K33 WeakPolarHBondContact O-CE 3.38Å; S25-K33 PolarHBondContact O-NZ 2.98Å; I28-K33 HydrophobicContact CB-CG 4.18Å; I28-K33 HydrophobicContact CG2-CG 3.76Å; I28-K33 WeakPolarHBondContact O-CE 3.47Å; P29-K33 PolarHBondContact O-N 3.04Å; E30-K33 PolarHBondContact O-N 3.28Å; E30-K33 WeakPolarHBondContact OE1-CE 3.26Å; E30-K33 IonicContact OE1-NZ 2.6Å; E30-K33 PolarHBondContact OE1-NZ 3.4Å; K33-K35 PolarHBondContact O-N 3.04Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K33-F36 PolarHBondContact O-N 3.48Å |
| 34 | A | 89 | Confident | 82.3 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 75% | 0.752 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | E32 F36 | E32-A34 PolarHBondContact O-N 3.39Å; A34-F36 VanDerWaalsContact C-N 3.32Å |
| 35 | K | 89.8 | Confident | 82.4 | Confident | 60 Ų | 60 | 64.1 Ų | 64.1 | 26% | 0.261 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -15.1 | 176.6 | -59.9 | 176.9 | -178.5 | 178 | 0 | 112.4 | E32 K33 N40 E44 T45 I48 | E32-K35 VanDerWaalsContact O-CB 3.31Å; E32-K35 WeakPolarHBondContact O-CB 3.36Å; E32-K35 PolarHBondContact O-N 3.19Å; E32-K35 IonicContact OE1-NZ 3.67Å; E32-K35 PolarHBondContact OE1-NZ 3.42Å; E32-K35 VanDerWaalsContact OE2-CD 3.25Å; E32-K35 WeakPolarHBondContact OE2-CD 3.48Å; E32-K35 WeakPolarHBondContact OE2-CE 3.47Å; E32-K35 IonicContact OE2-NZ 3.27Å; E32-K35 PolarHBondContact OE2-NZ 2.89Å; K33-K35 PolarHBondContact O-N 3.04Å; K33-K35 VanDerWaalsContact O-N 3.13Å; K35-N40 PolarHBondContact O-ND2 3.37Å; K35-E44 VanDerWaalsContact CE-OE1 3.27Å; K35-E44 WeakPolarHBondContact CE-OE1 3.5Å; K35-E44 IonicContact NZ-OE1 2.69Å; K35-E44 PolarHBondContact NZ-OE1 3.25Å; K35-T45 HydrophobicContact CB-CG2 4.38Å; K35-T45 WeakPolarHBondContact O-CG2 3.08Å; K35-I48 HydrophobicContact CB-CD1 4.33Å; K35-I48 HydrophobicContact CD-CD1 3.39Å; K35-I48 HydrophobicContact CG-CD1 4.5Å |
| 36 | F | 85.1 | Confident | 81.9 | Confident | 19 Ų | 19 | 66.5 Ų | 66.5 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | trans | -90.6 | 135.2 | 175.3 | -59.9 | -87.4 | 0 | 0 | 0 | 110.4 | L19 I22 I28 E32 K33 A34 W41 T45 I48 L49 | L19-F36 HydrophobicContact CD2-CB 3.93Å; I22-F36 HydrophobicContact CD1-CB 4.17Å; I22-F36 HydrophobicContact CD1-CD1 3.57Å; I22-F36 HydrophobicContact CD1-CD2 4.49Å; I22-F36 HydrophobicContact CD1-CE1 4.01Å; I22-F36 HydrophobicContact CD1-CG 3.83Å; I22-F36 HydrophobicContact CG2-CB 4.06Å; I22-F36 HydrophobicContact CG2-CD2 3.64Å; I22-F36 HydrophobicContact CG2-CE2 4.19Å; I22-F36 HydrophobicContact CG2-CG 3.85Å; I28-F36 HydrophobicContact CD1-CE2 4.5Å; I28-F36 HydrophobicContact CG2-CE2 4.12Å; E32-F36 WeakPolarHBondContact O-CD2 3.39Å; K33-F36 PolarHBondContact O-N 3.48Å; A34-F36 VanDerWaalsContact C-N 3.32Å; F36-W41 HydrophobicContact CD1-CH2 4.23Å; F36-W41 AromaticContact CD1-CZ3 3.8Å; F36-W41 HydrophobicContact CD1-CZ3 3.8Å; F36-W41 HydrophobicContact CE1-CZ3 4.11Å; F36-T45 HydrophobicContact CD1-CG2 4.3Å; F36-T45 HydrophobicContact CE1-CG2 4.36Å; F36-I48 HydrophobicContact CE2-CG2 3.78Å; F36-I48 HydrophobicContact CZ-CB 4.15Å; F36-I48 HydrophobicContact CZ-CG2 3.71Å; F36-L49 HydrophobicContact CE1-CD1 3.99Å; F36-L49 HydrophobicContact CE1-CD2 3.94Å; F36-L49 HydrophobicContact CE1-CG 3.73Å; F36-L49 HydrophobicContact CZ-CD2 3.83Å; F36-L49 HydrophobicContact CZ-CG 3.78Å | ||
| 37 | G | 84 | Confident | 81.7 | Confident | 16 Ų | 16 | 65.8 Ų | 65.8 | 17% | 0.165 | 37% | 0.37 | C | S | . | . | trans | -165.3 | 167.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | G39 N40 | G37-G39 PolarHBondContact O-N 3.38Å; G37-N40 WeakPolarHBondContact O-CB 3.5Å; G37-N40 PolarHBondContact O-N 3.27Å | ||
| 38 | P | 82.9 | Confident | 81.9 | Confident | 109 Ų | 109 | 64 Ų | 64 | 71% | 0.708 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 123.6 | 179.5 | -24.8 | 34.1 | 0 | 0 | 0 | 111.6 | E15 L19 N40 | E15-P38 VanDerWaalsContact OE1-CA 3.31Å; E15-P38 WeakPolarHBondContact OE1-CA 3.31Å; L19-P38 HydrophobicContact CD1-CB 4.48Å; L19-P38 HydrophobicContact CD1-CG 3.82Å; P38-N40 PolarHBondContact O-N 3.44Å |
| 39 | G | 78.1 | Confident | 81.5 | Confident | 62 Ų | 62 | 64.2 Ų | 64.2 | 64% | 0.639 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -2.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | E15 G37 W41 | E15-G39 PolarHBondContact OE1-N 2.88Å; G37-G39 PolarHBondContact O-N 3.38Å; G39-W41 VanDerWaalsContact C-N 3.34Å; G39-W41 PolarHBondContact O-N 3.09Å; G39-W41 VanDerWaalsContact O-N 3.13Å |
| 40 | N | 80.6 | Confident | 80.3 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | trans | -91 | 66.6 | -177 | -163.4 | 29.5 | 0 | 0 | 0 | 111.8 | K35 G37 P38 N42 | K35-N40 PolarHBondContact O-ND2 3.37Å; G37-N40 WeakPolarHBondContact O-CB 3.5Å; G37-N40 PolarHBondContact O-N 3.27Å; P38-N40 PolarHBondContact O-N 3.44Å; N40-N42 PolarHBondContact OD1-ND2 3.44Å | ||
| 41 | W | 74 | Confident | 79.4 | Confident | 39 Ų | 39 | 66.6 Ų | 66.6 | 15% | 0.148 | 37% | 0.371 | C | S | . | . | trans | -112.1 | 102.6 | 177.1 | -57.8 | 103.7 | 0 | 0 | 0 | 109.8 | L5 I8 E15 L18 L19 I22 F36 G39 F46 L49 | L5-W41 HydrophobicContact CD2-CD2 3.83Å; L5-W41 HydrophobicContact CD2-CE3 3.51Å; L5-W41 HydrophobicContact CD2-CH2 4.25Å; L5-W41 HydrophobicContact CD2-CZ3 3.74Å; I8-W41 HydrophobicContact CD1-CH2 4.35Å; I8-W41 HydrophobicContact CD1-CZ2 3.62Å; E15-W41 HydrophobicContact CG-CZ2 4.33Å; E15-W41 PolarHBondContact OE1-NE1 2.87Å; L18-W41 HydrophobicContact CD2-CH2 3.37Å; L18-W41 HydrophobicContact CD2-CZ2 3.85Å; L18-W41 HydrophobicContact CD2-CZ3 4.06Å; L18-W41 HydrophobicContact CG-CH2 3.96Å; L19-W41 HydrophobicContact CD2-CH2 4.49Å; L19-W41 HydrophobicContact CD2-CZ2 4.33Å; I22-W41 HydrophobicContact CD1-CH2 3.83Å; I22-W41 HydrophobicContact CD1-CZ3 4.3Å; F36-W41 HydrophobicContact CD1-CH2 4.23Å; F36-W41 AromaticContact CD1-CZ3 3.8Å; F36-W41 HydrophobicContact CD1-CZ3 3.8Å; F36-W41 HydrophobicContact CE1-CZ3 4.11Å; G39-W41 VanDerWaalsContact C-N 3.34Å; G39-W41 PolarHBondContact O-N 3.09Å; G39-W41 VanDerWaalsContact O-N 3.13Å; W41-F46 HydrophobicContact CB-CE1 3.96Å; W41-F46 HydrophobicContact CB-CZ 3.91Å; W41-F46 HydrophobicContact CE3-CE1 4.35Å; W41-L49 HydrophobicContact CZ3-CD1 4.32Å | ||
| 42 | N | 76.9 | Confident | 78.3 | Confident | 59 Ų | 59 | 62.7 Ų | 62.7 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | trans | -136.7 | 172.2 | -179.3 | 65 | 43.5 | 0 | 0 | 0 | 111.6 | N40 E44 T45 F46 | N40-N42 PolarHBondContact OD1-ND2 3.44Å; N42-E44 PolarHBondContact O-N 2.62Å; N42-E44 WeakPolarHBondContact OD1-CA 3.42Å; N42-E44 VanDerWaalsContact OD1-CB 3.29Å; N42-E44 WeakPolarHBondContact OD1-CB 3.3Å; N42-E44 PolarHBondContact OD1-N 3.27Å; N42-T45 PolarHBondContact N-OG1 2.87Å; N42-T45 PolarHBondContact O-N 3.31Å; N42-T45 PolarHBondContact O-OG1 3.04Å; N42-T45 PolarHBondContact OD1-N 3.08Å; N42-F46 WeakPolarHBondContact O-CD2 3.23Å; N42-F46 WeakPolarHBondContact O-CE2 3.37Å; N42-F46 WeakPolarHBondContact O-CG 3.39Å; N42-F46 PolarHBondContact O-N 3.09Å | ||
| 43 | D | 75.7 | Confident | 76.6 | Confident | 138 Ų | 138 | 61.1 Ų | 61.1 | 74% | 0.738 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -50.9 | -34.1 | -178.9 | -66.2 | -11.7 | 0 | 0 | 0 | 114.2 | K47 | D43-K47 WeakPolarHBondContact O-CB 3.47Å; D43-K47 PolarHBondContact O-N 2.89Å |
| 44 | E | 82.1 | Confident | 74.6 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70 | -51.2 | 177.3 | -171.9 | -175.8 | 176.5 | 0 | 0 | 111.4 | K35 N42 F46 K47 I48 | K35-E44 VanDerWaalsContact CE-OE1 3.27Å; K35-E44 WeakPolarHBondContact CE-OE1 3.5Å; K35-E44 IonicContact NZ-OE1 2.69Å; K35-E44 PolarHBondContact NZ-OE1 3.25Å; N42-E44 PolarHBondContact O-N 2.62Å; N42-E44 WeakPolarHBondContact OD1-CA 3.42Å; N42-E44 VanDerWaalsContact OD1-CB 3.29Å; N42-E44 WeakPolarHBondContact OD1-CB 3.3Å; N42-E44 PolarHBondContact OD1-N 3.27Å; E44-F46 PolarHBondContact O-N 3.02Å; E44-K47 PolarHBondContact O-N 3.04Å; E44-K47 VanDerWaalsContact O-N 3.14Å; E44-I48 HydrophobicContact CG-CD1 4.09Å; E44-I48 WeakPolarHBondContact O-CD1 3.33Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.13Å; E44-I48 PolarHBondContact O-N 3.37Å |
| 45 | T | 77.7 | Confident | 72.2 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.9 | -32.5 | 175.2 | 59.9 | 0 | 0 | 0 | 0 | 112.1 | K35 F36 N42 L49 | K35-T45 HydrophobicContact CB-CG2 4.38Å; K35-T45 WeakPolarHBondContact O-CG2 3.08Å; F36-T45 HydrophobicContact CD1-CG2 4.3Å; F36-T45 HydrophobicContact CE1-CG2 4.36Å; N42-T45 PolarHBondContact N-OG1 2.87Å; N42-T45 PolarHBondContact O-N 3.31Å; N42-T45 PolarHBondContact O-OG1 3.04Å; N42-T45 PolarHBondContact OD1-N 3.08Å; T45-L49 WeakPolarHBondContact O-CG 3.48Å; T45-L49 PolarHBondContact O-N 3.42Å |
| 46 | F | 64.4 | Low | 69.8 | Low | 58 Ų | 58 | 68 Ų | 68 | 25% | 0.254 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 175.6 | -58.7 | -36.1 | 0 | 0 | 0 | 112.2 | L5 W41 N42 E44 I48 L49 Q50 | L5-F46 HydrophobicContact CD1-CD1 3.69Å; L5-F46 HydrophobicContact CD1-CE1 3.53Å; L5-F46 HydrophobicContact CD2-CE1 4.47Å; L5-F46 HydrophobicContact CG-CE1 4.4Å; W41-F46 HydrophobicContact CB-CE1 3.96Å; W41-F46 HydrophobicContact CB-CZ 3.91Å; W41-F46 HydrophobicContact CE3-CE1 4.35Å; N42-F46 WeakPolarHBondContact O-CD2 3.23Å; N42-F46 WeakPolarHBondContact O-CE2 3.37Å; N42-F46 WeakPolarHBondContact O-CG 3.39Å; N42-F46 PolarHBondContact O-N 3.09Å; E44-F46 PolarHBondContact O-N 3.02Å; F46-I48 VanDerWaalsContact C-N 3.31Å; F46-I48 PolarHBondContact O-N 3.01Å; F46-L49 PolarHBondContact O-N 2.91Å; F46-Q50 WeakPolarHBondContact O-CG 3.45Å; F46-Q50 PolarHBondContact O-N 3.02Å |
| 47 | K | 73.8 | Confident | 67.8 | Low | 125 Ų | 125 | 69.5 Ų | 69.5 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 177 | -172.9 | 173 | -178.8 | 179.2 | 0 | 111.6 | D43 E44 L49 Q50 D51 | D43-K47 WeakPolarHBondContact O-CB 3.47Å; D43-K47 PolarHBondContact O-N 2.89Å; E44-K47 PolarHBondContact O-N 3.04Å; E44-K47 VanDerWaalsContact O-N 3.14Å; K47-L49 PolarHBondContact O-N 3.35Å; K47-Q50 PolarHBondContact O-N 3.23Å; K47-Q50 VanDerWaalsContact O-N 3.17Å; K47-D51 WeakPolarHBondContact CG-OD2 3.45Å; K47-D51 WeakPolarHBondContact O-CB 3.41Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.17Å |
| 48 | I | 77.7 | Confident | 65.8 | Low | 14 Ų | 14 | 71.6 Ų | 71.6 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 175.7 | -68.5 | 158.4 | 0 | 0 | 0 | 111.4 | I28 E32 K35 F36 E44 F46 Q50 D51 C52 | I28-I48 HydrophobicContact CG2-CG2 4.45Å; E32-I48 HydrophobicContact CB-CG2 3.76Å; E32-I48 HydrophobicContact CG-CG2 4.19Å; E32-I48 WeakPolarHBondContact OE2-CD1 3.46Å; E32-I48 VanDerWaalsContact OE2-CG1 3.3Å; E32-I48 WeakPolarHBondContact OE2-CG1 3.39Å; K35-I48 HydrophobicContact CB-CD1 4.33Å; K35-I48 HydrophobicContact CD-CD1 3.39Å; K35-I48 HydrophobicContact CG-CD1 4.5Å; F36-I48 HydrophobicContact CE2-CG2 3.78Å; F36-I48 HydrophobicContact CZ-CB 4.15Å; F36-I48 HydrophobicContact CZ-CG2 3.71Å; E44-I48 HydrophobicContact CG-CD1 4.09Å; E44-I48 WeakPolarHBondContact O-CD1 3.33Å; E44-I48 VanDerWaalsContact O-CG1 3.29Å; E44-I48 WeakPolarHBondContact O-CG1 3.13Å; E44-I48 PolarHBondContact O-N 3.37Å; F46-I48 VanDerWaalsContact C-N 3.31Å; F46-I48 PolarHBondContact O-N 3.01Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.47Å; I48-D51 PolarHBondContact O-N 3.39Å; I48-C52 VanDerWaalsContact O-CB 3.22Å; I48-C52 WeakPolarHBondContact O-CB 3.33Å; I48-C52 PolarHBondContact O-N 2.64Å; I48-C52 PolarHBondContact O-SG 3.24Å |
| 49 | L | 70.4 | Confident | 63.7 | Low | 8 Ų | 8 | 68.9 Ų | 68.9 | 4% | 0.042 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 176.7 | -70.4 | 172.5 | 0 | 0 | 0 | 111.8 | M1 W21 I28 F36 W41 T45 F46 K47 V53 | M1-L49 HydrophobicContact CE-CB 3.72Å; M1-L49 HydrophobicContact CG-CD1 4.47Å; M1-L49 HydrophobicContact SD-CB 3.5Å; M1-L49 VanDerWaalsContact SD-CB 3.5Å; M1-L49 HydrophobicContact SD-CD1 3.88Å; M1-L49 HydrophobicContact SD-CG 4.3Å; W21-L49 HydrophobicContact CZ3-CD2 4.44Å; I28-L49 HydrophobicContact CD1-CD2 3.94Å; F36-L49 HydrophobicContact CE1-CD1 3.99Å; F36-L49 HydrophobicContact CE1-CD2 3.94Å; F36-L49 HydrophobicContact CE1-CG 3.73Å; F36-L49 HydrophobicContact CZ-CD2 3.83Å; F36-L49 HydrophobicContact CZ-CG 3.78Å; W41-L49 HydrophobicContact CZ3-CD1 4.32Å; T45-L49 WeakPolarHBondContact O-CG 3.48Å; T45-L49 PolarHBondContact O-N 3.42Å; F46-L49 PolarHBondContact O-N 2.91Å; K47-L49 PolarHBondContact O-N 3.35Å; L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.41Å; L49-V53 VanDerWaalsContact O-CG2 3.23Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.18Å |
| 50 | Q | 62.7 | Low | 62 | Low | 134 Ų | 134 | 70.4 Ų | 70.4 | 63% | 0.626 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.4 | -39.9 | 175.6 | -70.2 | -178.8 | -16.4 | 0 | 0 | 112.5 | M1 F46 K47 I48 | M1-Q50 HydrophobicContact CE-CB 4.33Å; M1-Q50 HydrophobicContact CE-CG 3.31Å; F46-Q50 WeakPolarHBondContact O-CG 3.45Å; F46-Q50 PolarHBondContact O-N 3.02Å; K47-Q50 PolarHBondContact O-N 3.23Å; K47-Q50 VanDerWaalsContact O-N 3.17Å; I48-Q50 VanDerWaalsContact C-N 3.32Å; I48-Q50 PolarHBondContact O-N 3.47Å |
| 51 | D | 71 | Confident | 60.2 | Low | 112 Ų | 112 | 69.6 Ų | 69.6 | 60% | 0.599 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -80.9 | -38.4 | -174.5 | -70.2 | -12.4 | 0 | 0 | 0 | 112.1 | K47 I48 | K47-D51 WeakPolarHBondContact CG-OD2 3.45Å; K47-D51 WeakPolarHBondContact O-CB 3.41Å; K47-D51 VanDerWaalsContact O-CG 3.23Å; K47-D51 PolarHBondContact O-N 3.17Å; I48-D51 PolarHBondContact O-N 3.39Å |
| 52 | C | 68.7 | Low | 58.7 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -83.3 | -40.3 | -175.7 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | I27 I28 P29 I48 S54 | I27-C52 WeakPolarHBondContact CG2-O 3.28Å; I28-C52 HydrophobicContact CG1-CB 4.22Å; P29-C52 VanDerWaalsContact CD-SG 3.5Å; I48-C52 VanDerWaalsContact O-CB 3.22Å; I48-C52 WeakPolarHBondContact O-CB 3.33Å; I48-C52 PolarHBondContact O-N 2.64Å; I48-C52 PolarHBondContact O-SG 3.24Å; C52-S54 VanDerWaalsContact C-N 3.32Å; C52-S54 PolarHBondContact O-N 3Å |
| 53 | V | 56.4 | Low | 57.3 | Low | 13 Ų | 13 | 66.6 Ų | 66.6 | 8% | 0.079 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -77.3 | 92 | 176.8 | -167.5 | 0 | 0 | 0 | 0 | 106.8 | W21 L49 D57 Y58 | W21-V53 HydrophobicContact CH2-CG2 4.08Å; L49-V53 VanDerWaalsContact O-CB 3.28Å; L49-V53 WeakPolarHBondContact O-CB 3.41Å; L49-V53 VanDerWaalsContact O-CG2 3.23Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 3.18Å; V53-D57 HydrophobicContact CG1-CB 4.26Å; V53-Y58 HydrophobicContact CB-CD2 4.35Å; V53-Y58 HydrophobicContact CG1-CD2 3.89Å; V53-Y58 HydrophobicContact CG1-CG 4.31Å |
| 54 | S | 46 | Very low | 56 | Low | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 32% | 0.318 | S | S | . | . | trans | -49 | 148.8 | 177.2 | 72.3 | 0 | 0 | 0 | 0 | 110 | C52 D56 D57 Y58 | C52-S54 VanDerWaalsContact C-N 3.32Å; C52-S54 PolarHBondContact O-N 3Å; S54-D56 PolarHBondContact O-N 3.22Å; S54-D57 PolarHBondContact O-N 3.32Å; S54-D57 WeakPolarHBondContact OG-CB 3.46Å; S54-D57 VanDerWaalsContact OG-CG 3.27Å; S54-D57 PolarHBondContact OG-N 3.15Å; S54-D57 PolarHBondContact OG-OD2 3.24Å; S54-Y58 WeakPolarHBondContact O-CA 3.44Å; S54-Y58 WeakPolarHBondContact O-CB 3.33Å; S54-Y58 PolarHBondContact O-N 3.3Å | ||
| 55 | L | 39 | Very low | 54.5 | Low | 155 Ų | 155 | 56 Ų | 56 | 81% | 0.812 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -52.8 | -26.7 | 178 | -123.9 | 132.9 | 0 | 0 | 0 | 112.1 | S59 | L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 2.87Å |
| 56 | D | 39.5 | Very low | 53.2 | Low | 115 Ų | 115 | 59.9 Ų | 59.9 | 62% | 0.615 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.7 | -44.8 | 174.5 | -79.4 | -0.5 | 0 | 0 | 0 | 114 | S54 Y58 S59 Q60 | S54-D56 PolarHBondContact O-N 3.22Å; D56-Y58 VanDerWaalsContact C-N 3.26Å; D56-Y58 PolarHBondContact O-N 3.09Å; D56-S59 WeakPolarHBondContact CA-OG 3.37Å; D56-S59 PolarHBondContact O-N 2.85Å; D56-S59 PolarHBondContact O-OG 2.87Å; D56-Q60 WeakPolarHBondContact O-CG 3.38Å; D56-Q60 PolarHBondContact O-N 2.77Å |
| 57 | D | 43.1 | Very low | 52.8 | Low | 49 Ų | 49 | 57.6 Ų | 57.6 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -70.3 | -31 | 174.1 | -67.2 | -48.4 | 0 | 0 | 0 | 111.4 | I27 V53 S54 Q60 S61 | I27-D57 HydrophobicContact CD1-CB 3.79Å; V53-D57 HydrophobicContact CG1-CB 4.26Å; S54-D57 PolarHBondContact O-N 3.32Å; S54-D57 WeakPolarHBondContact OG-CB 3.46Å; S54-D57 VanDerWaalsContact OG-CG 3.27Å; S54-D57 PolarHBondContact OG-N 3.15Å; S54-D57 PolarHBondContact OG-OD2 3.24Å; D57-Q60 PolarHBondContact O-N 3.07Å; D57-S61 PolarHBondContact O-N 3.12Å; D57-S61 PolarHBondContact O-OG 2.87Å |
| 58 | Y | 40.5 | Very low | 52 | Low | 60 Ų | 60 | 52.2 Ų | 52.2 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -44 | 169.1 | -165.3 | -96 | 0 | 0 | 0 | 109.5 | V53 S54 D56 Q60 S61 V62 G63 | V53-Y58 HydrophobicContact CB-CD2 4.35Å; V53-Y58 HydrophobicContact CG1-CD2 3.89Å; V53-Y58 HydrophobicContact CG1-CG 4.31Å; S54-Y58 WeakPolarHBondContact O-CA 3.44Å; S54-Y58 WeakPolarHBondContact O-CB 3.33Å; S54-Y58 PolarHBondContact O-N 3.3Å; D56-Y58 VanDerWaalsContact C-N 3.26Å; D56-Y58 PolarHBondContact O-N 3.09Å; Y58-Q60 VanDerWaalsContact C-N 3.27Å; Y58-Q60 PolarHBondContact O-N 3.4Å; Y58-S61 PolarHBondContact O-N 3.3Å; Y58-V62 HydrophobicContact CD1-CB 3.69Å; Y58-V62 HydrophobicContact CD1-CG1 3.9Å; Y58-V62 HydrophobicContact CD1-CG2 4.33Å; Y58-V62 HydrophobicContact CD2-CB 3.89Å; Y58-V62 HydrophobicContact CD2-CG1 4.43Å; Y58-V62 HydrophobicContact CD2-CG2 3.58Å; Y58-V62 HydrophobicContact CE1-CB 3.64Å; Y58-V62 HydrophobicContact CE1-CG1 3.3Å; Y58-V62 HydrophobicContact CE1-CG2 4.25Å; Y58-V62 HydrophobicContact CE2-CB 3.86Å; Y58-V62 HydrophobicContact CE2-CG1 3.94Å; Y58-V62 HydrophobicContact CE2-CG2 3.51Å; Y58-V62 HydrophobicContact CG-CB 3.82Å; Y58-V62 HydrophobicContact CG-CG1 4.42Å; Y58-V62 HydrophobicContact CG-CG2 4.01Å; Y58-V62 CarbonylContact O-C 3.51Å; Y58-V62 VanDerWaalsContact O-C 3.25Å; Y58-V62 WeakPolarHBondContact O-CA 3.5Å; Y58-V62 WeakPolarHBondContact O-CB 3.15Å; Y58-V62 PolarHBondContact O-N 3.41Å; Y58-G63 PolarHBondContact O-N 3.48Å |
| 59 | S | 39.3 | Very low | 51.2 | Low | 53 Ų | 53 | 52.6 Ų | 52.6 | 37% | 0.371 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -65.8 | -29.1 | 174.4 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | L55 D56 G63 | L55-S59 VanDerWaalsContact O-CB 3.29Å; L55-S59 WeakPolarHBondContact O-CB 3.46Å; L55-S59 PolarHBondContact O-N 2.87Å; D56-S59 WeakPolarHBondContact CA-OG 3.37Å; D56-S59 PolarHBondContact O-N 2.85Å; D56-S59 PolarHBondContact O-OG 2.87Å; S59-G63 WeakPolarHBondContact O-CA 3.47Å; S59-G63 PolarHBondContact O-N 3.47Å |
| 60 | Q | 42.1 | Very low | 50.8 | Low | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -73.1 | -44.2 | 175.2 | -69.1 | -179.7 | 33.8 | 0 | 0 | 113.6 | D56 D57 Y58 A97 | D56-Q60 WeakPolarHBondContact O-CG 3.38Å; D56-Q60 PolarHBondContact O-N 2.77Å; D57-Q60 PolarHBondContact O-N 3.07Å; Y58-Q60 VanDerWaalsContact C-N 3.27Å; Y58-Q60 PolarHBondContact O-N 3.4Å; Q60-A97 HydrophobicContact CB-CB 4.29Å; Q60-A97 HydrophobicContact CG-CB 3.93Å |
| 61 | S | 42.9 | Very low | 50.8 | Low | 55 Ų | 55 | 46 Ų | 46 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -94.3 | -43.3 | -176.6 | -56.4 | 0 | 0 | 0 | 0 | 112.9 | D57 Y58 | D57-S61 PolarHBondContact O-N 3.12Å; D57-S61 PolarHBondContact O-OG 2.87Å; Y58-S61 PolarHBondContact O-N 3.3Å |
| 62 | V | 42.9 | Very low | 50.6 | Low | 34 Ų | 34 | 40.6 Ų | 40.6 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -91.3 | -26.5 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 112.3 | Y58 A64 A65 Q66 | Y58-V62 HydrophobicContact CD1-CB 3.69Å; Y58-V62 HydrophobicContact CD1-CG1 3.9Å; Y58-V62 HydrophobicContact CD1-CG2 4.33Å; Y58-V62 HydrophobicContact CD2-CB 3.89Å; Y58-V62 HydrophobicContact CD2-CG1 4.43Å; Y58-V62 HydrophobicContact CD2-CG2 3.58Å; Y58-V62 HydrophobicContact CE1-CB 3.64Å; Y58-V62 HydrophobicContact CE1-CG1 3.3Å; Y58-V62 HydrophobicContact CE1-CG2 4.25Å; Y58-V62 HydrophobicContact CE2-CB 3.86Å; Y58-V62 HydrophobicContact CE2-CG1 3.94Å; Y58-V62 HydrophobicContact CE2-CG2 3.51Å; Y58-V62 HydrophobicContact CG-CB 3.82Å; Y58-V62 HydrophobicContact CG-CG1 4.42Å; Y58-V62 HydrophobicContact CG-CG2 4.01Å; Y58-V62 CarbonylContact O-C 3.51Å; Y58-V62 VanDerWaalsContact O-C 3.25Å; Y58-V62 WeakPolarHBondContact O-CA 3.5Å; Y58-V62 WeakPolarHBondContact O-CB 3.15Å; Y58-V62 PolarHBondContact O-N 3.41Å; V62-A64 PolarHBondContact O-N 3.02Å; V62-A65 CarbonylContact O-C 2.97Å; V62-A65 WeakPolarHBondContact O-CA 3.38Å; V62-A65 PolarHBondContact O-N 3.13Å; V62-Q66 HydrophobicContact CG1-CG 3.77Å; V62-Q66 WeakPolarHBondContact O-CA 3.42Å; V62-Q66 VanDerWaalsContact O-CB 3.27Å; V62-Q66 WeakPolarHBondContact O-CB 3.29Å; V62-Q66 WeakPolarHBondContact O-CG 3.37Å; V62-Q66 PolarHBondContact O-N 3.27Å |
| 63 | G | 47.3 | Very low | 50.6 | Low | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -58.3 | -42.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y58 S59 A65 Q66 I67 | Y58-G63 PolarHBondContact O-N 3.48Å; S59-G63 WeakPolarHBondContact O-CA 3.47Å; S59-G63 PolarHBondContact O-N 3.47Å; G63-A65 VanDerWaalsContact C-N 3.35Å; G63-A65 PolarHBondContact O-N 2.91Å; G63-Q66 CarbonylContact O-C 3.25Å; G63-Q66 PolarHBondContact O-N 3.41Å; G63-I67 WeakPolarHBondContact O-CA 3.49Å; G63-I67 WeakPolarHBondContact O-CB 3.4Å; G63-I67 WeakPolarHBondContact O-CD1 3.41Å; G63-I67 WeakPolarHBondContact O-CG1 3.39Å; G63-I67 PolarHBondContact O-N 3.42Å |
| 64 | A | 48.3 | Very low | 51.1 | Low | 14 Ų | 14 | 39.3 Ų | 39.3 | 12% | 0.116 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -32.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | V62 Y68 C99 F101 | V62-A64 PolarHBondContact O-N 3.02Å; A64-Y68 WeakPolarHBondContact O-CA 3.5Å; A64-Y68 WeakPolarHBondContact O-CB 3.49Å; A64-Y68 PolarHBondContact O-N 2.91Å; A64-C99 HydrophobicContact CB-CB 3.46Å; A64-C99 VanDerWaalsContact CB-CB 3.46Å; A64-C99 WeakPolarHBondContact CB-SG 3.39Å; A64-F101 HydrophobicContact CB-CB 4.27Å |
| 65 | A | 50.3 | Low | 52.3 | Low | 8 Ų | 8 | 40.6 Ų | 40.6 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.9 | -29.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F4 V62 G63 S69 F101 | F4-A65 HydrophobicContact CE2-CB 4.26Å; F4-A65 HydrophobicContact CZ-CB 4.44Å; V62-A65 CarbonylContact O-C 2.97Å; V62-A65 WeakPolarHBondContact O-CA 3.38Å; V62-A65 PolarHBondContact O-N 3.13Å; G63-A65 VanDerWaalsContact C-N 3.35Å; G63-A65 PolarHBondContact O-N 2.91Å; A65-S69 WeakPolarHBondContact O-CB 3.49Å; A65-S69 PolarHBondContact O-N 2.97Å; A65-S69 PolarHBondContact O-OG 3.22Å; A65-F101 HydrophobicContact CB-CD1 4.22Å; A65-F101 HydrophobicContact CB-CE1 4.02Å |
| 66 | Q | 51.2 | Low | 53.7 | Low | 81 Ų | 81 | 36.3 Ų | 36.3 | 38% | 0.379 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.7 | -45 | 174.7 | -83.5 | 174 | -28 | 0 | 0 | 109.8 | V62 G63 Y68 S69 L70 | V62-Q66 HydrophobicContact CG1-CG 3.77Å; V62-Q66 WeakPolarHBondContact O-CA 3.42Å; V62-Q66 VanDerWaalsContact O-CB 3.27Å; V62-Q66 WeakPolarHBondContact O-CB 3.29Å; V62-Q66 WeakPolarHBondContact O-CG 3.37Å; V62-Q66 PolarHBondContact O-N 3.27Å; G63-Q66 CarbonylContact O-C 3.25Å; G63-Q66 PolarHBondContact O-N 3.41Å; Q66-Y68 VanDerWaalsContact C-N 3.35Å; Q66-S69 CarbonylContact O-C 3.55Å; Q66-S69 WeakPolarHBondContact O-CB 3.32Å; Q66-S69 PolarHBondContact O-N 3.05Å; Q66-L70 WeakPolarHBondContact O-CA 3.32Å; Q66-L70 WeakPolarHBondContact O-CB 3.45Å; Q66-L70 PolarHBondContact O-N 3.22Å |
| 67 | I | 55.1 | Low | 54.9 | Low | 10 Ų | 10 | 32.3 Ų | 32.3 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.4 | -49 | 167 | -71.5 | 147.6 | 0 | 0 | 0 | 108 | G63 S69 L70 L71 L91 E139 I142 | G63-I67 WeakPolarHBondContact O-CA 3.49Å; G63-I67 WeakPolarHBondContact O-CB 3.4Å; G63-I67 WeakPolarHBondContact O-CD1 3.41Å; G63-I67 WeakPolarHBondContact O-CG1 3.39Å; G63-I67 PolarHBondContact O-N 3.42Å; I67-S69 VanDerWaalsContact C-N 3.33Å; I67-S69 PolarHBondContact O-N 3.42Å; I67-L70 CarbonylContact O-C 3.39Å; I67-L70 WeakPolarHBondContact O-CA 2.94Å; I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.6Å; I67-L70 VanDerWaalsContact O-N 3.09Å; I67-L71 HydrophobicContact CG2-CD1 3.74Å; I67-L71 HydrophobicContact CG2-CG 3.89Å; I67-L71 VanDerWaalsContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.12Å; I67-L91 HydrophobicContact CB-CD1 4.08Å; I67-L91 HydrophobicContact CD1-CD1 3.15Å; I67-L91 HydrophobicContact CD1-CD2 3.82Å; I67-L91 HydrophobicContact CD1-CG 3.98Å; I67-L91 HydrophobicContact CG1-CD1 3.58Å; I67-L91 HydrophobicContact CG2-CD1 3.47Å; I67-L91 VanDerWaalsContact CG2-CD1 3.47Å; I67-E139 HydrophobicContact CD1-CG 3.91Å; I67-E139 WeakPolarHBondContact CD1-OE1 3.14Å; I67-E139 HydrophobicContact CG1-CG 3.56Å; I67-E139 VanDerWaalsContact CG1-OE1 3.28Å; I67-E139 WeakPolarHBondContact CG1-OE1 3.19Å; I67-I142 HydrophobicContact CG2-CD1 4.34Å |
| 68 | Y | 58.1 | Low | 56.2 | Low | 12 Ų | 12 | 37.8 Ų | 37.8 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.6 | -157.7 | -75.5 | 0 | 0 | 0 | 110.5 | A64 Q66 L70 L71 V72 I84 P103 T108 | A64-Y68 WeakPolarHBondContact O-CA 3.5Å; A64-Y68 WeakPolarHBondContact O-CB 3.49Å; A64-Y68 PolarHBondContact O-N 2.91Å; Q66-Y68 VanDerWaalsContact C-N 3.35Å; Y68-L70 VanDerWaalsContact C-N 3.26Å; Y68-L70 PolarHBondContact O-N 3.49Å; Y68-L71 PolarHBondContact O-N 3.03Å; Y68-V72 HydrophobicContact CD1-CG2 3.35Å; Y68-V72 HydrophobicContact CE1-CG2 3.16Å; Y68-V72 WeakPolarHBondContact O-CB 3.32Å; Y68-V72 WeakPolarHBondContact O-CG2 3.41Å; Y68-V72 PolarHBondContact O-N 2.93Å; Y68-I84 HydrophobicContact CD2-CG2 4.3Å; Y68-I84 HydrophobicContact CE2-CD1 3.73Å; Y68-I84 HydrophobicContact CE2-CG1 4.26Å; Y68-I84 HydrophobicContact CE2-CG2 3.92Å; Y68-P103 HydrophobicContact CD1-CG 3.1Å; Y68-P103 HydrophobicContact CD2-CG 3.95Å; Y68-P103 HydrophobicContact CE1-CB 4.46Å; Y68-P103 HydrophobicContact CE1-CG 3.07Å; Y68-P103 HydrophobicContact CE2-CG 3.92Å; Y68-P103 VanDerWaalsContact CG-CD 3.48Å; Y68-P103 HydrophobicContact CG-CG 3.55Å; Y68-P103 VanDerWaalsContact CZ-CG 3.46Å; Y68-T108 VanDerWaalsContact CE1-OG1 3.3Å; Y68-T108 WeakPolarHBondContact CE1-OG1 3.22Å |
| 69 | S | 59.6 | Low | 57.4 | Low | 22 Ų | 22 | 36 Ų | 36 | 15% | 0.154 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 171.6 | -61.8 | 0 | 0 | 0 | 0 | 111 | A65 Q66 I67 V72 M73 | A65-S69 WeakPolarHBondContact O-CB 3.49Å; A65-S69 PolarHBondContact O-N 2.97Å; A65-S69 PolarHBondContact O-OG 3.22Å; Q66-S69 CarbonylContact O-C 3.55Å; Q66-S69 WeakPolarHBondContact O-CB 3.32Å; Q66-S69 PolarHBondContact O-N 3.05Å; I67-S69 VanDerWaalsContact C-N 3.33Å; I67-S69 PolarHBondContact O-N 3.42Å; S69-V72 PolarHBondContact O-N 3.45Å; S69-M73 WeakPolarHBondContact O-CB 3.33Å; S69-M73 WeakPolarHBondContact O-CG 3.48Å; S69-M73 PolarHBondContact O-N 3.43Å |
| 70 | L | 61.9 | Low | 59.1 | Low | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.6 | -51.9 | 177.3 | 174.3 | 73.2 | 0 | 0 | 0 | 110.2 | Q66 I67 Y68 V72 M73 C74 M129 I142 V143 | Q66-L70 WeakPolarHBondContact O-CA 3.32Å; Q66-L70 WeakPolarHBondContact O-CB 3.45Å; Q66-L70 PolarHBondContact O-N 3.22Å; I67-L70 CarbonylContact O-C 3.39Å; I67-L70 WeakPolarHBondContact O-CA 2.94Å; I67-L70 WeakPolarHBondContact O-CB 3.37Å; I67-L70 PolarHBondContact O-N 2.6Å; I67-L70 VanDerWaalsContact O-N 3.09Å; Y68-L70 VanDerWaalsContact C-N 3.26Å; Y68-L70 PolarHBondContact O-N 3.49Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 3.31Å; L70-M73 CarbonylContact O-C 3.57Å; L70-M73 PolarHBondContact O-N 3.45Å; L70-M73 VanDerWaalsContact O-N 3.11Å; L70-C74 WeakPolarHBondContact CD1-SG 3.48Å; L70-C74 WeakPolarHBondContact O-CB 3.31Å; L70-C74 PolarHBondContact O-N 3.48Å; L70-C74 PolarHBondContact O-SG 3.07Å; L70-M129 HydrophobicContact CB-CE 3.78Å; L70-M129 HydrophobicContact CD1-CE 3.24Å; L70-M129 HydrophobicContact CD1-SD 3.66Å; L70-M129 HydrophobicContact CG-CE 4.08Å; L70-I142 HydrophobicContact CD1-CG2 4.35Å; L70-I142 HydrophobicContact CD2-CB 3.69Å; L70-I142 HydrophobicContact CD2-CD1 4.32Å; L70-I142 HydrophobicContact CD2-CG2 3.47Å; L70-I142 VanDerWaalsContact CD2-CG2 3.47Å; L70-I142 HydrophobicContact CG-CB 4.32Å; L70-I142 HydrophobicContact CG-CG2 3.54Å; L70-V143 HydrophobicContact CD1-CB 4.34Å; L70-V143 HydrophobicContact CD1-CG2 3.5Å; L70-V143 HydrophobicContact CD2-CG2 3.81Å; L70-V143 HydrophobicContact CG-CG2 4.31Å |
| 71 | L | 64.6 | Low | 60.6 | Low | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.7 | -45.5 | 174.6 | -67.3 | 175.7 | 0 | 0 | 0 | 110.1 | I67 Y68 K75 V79 W83 I84 H87 I142 | I67-L71 HydrophobicContact CG2-CD1 3.74Å; I67-L71 HydrophobicContact CG2-CG 3.89Å; I67-L71 VanDerWaalsContact O-CB 3.29Å; I67-L71 WeakPolarHBondContact O-CB 3.41Å; I67-L71 WeakPolarHBondContact O-CG 3.49Å; I67-L71 PolarHBondContact O-N 3.12Å; Y68-L71 PolarHBondContact O-N 3.03Å; L71-K75 VanDerWaalsContact O-CB 3.24Å; L71-K75 WeakPolarHBondContact O-CB 3.44Å; L71-K75 PolarHBondContact O-N 3.03Å; L71-V79 HydrophobicContact CB-CG1 4.36Å; L71-W83 HydrophobicContact CB-CH2 4.48Å; L71-W83 HydrophobicContact CB-CZ3 3.74Å; L71-W83 HydrophobicContact CD2-CE3 3.82Å; L71-W83 HydrophobicContact CD2-CH2 3.33Å; L71-W83 HydrophobicContact CD2-CZ2 4.3Å; L71-W83 HydrophobicContact CD2-CZ3 3.07Å; L71-W83 HydrophobicContact CG-CH2 4.45Å; L71-W83 HydrophobicContact CG-CZ3 3.91Å; L71-I84 HydrophobicContact CD1-CG1 4.47Å; L71-I84 HydrophobicContact CD1-CG2 4.32Å; L71-H87 HydrophobicContact CD1-CB 4.41Å; L71-H87 HydrophobicContact CD2-CB 3.75Å; L71-I142 HydrophobicContact CD2-CD1 3.83Å; L71-I142 HydrophobicContact CD2-CG1 4.18Å; L71-I142 HydrophobicContact CD2-CG2 4.01Å |
| 72 | V | 65.8 | Low | 62.3 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 175.3 | 163.8 | 0 | 0 | 0 | 0 | 111.5 | Y68 S69 L70 K75 R76 A77 V79 T108 L111 H112 | Y68-V72 HydrophobicContact CD1-CG2 3.35Å; Y68-V72 HydrophobicContact CE1-CG2 3.16Å; Y68-V72 WeakPolarHBondContact O-CB 3.32Å; Y68-V72 WeakPolarHBondContact O-CG2 3.41Å; Y68-V72 PolarHBondContact O-N 2.93Å; S69-V72 PolarHBondContact O-N 3.45Å; L70-V72 VanDerWaalsContact C-N 3.28Å; L70-V72 PolarHBondContact O-N 3.31Å; V72-K75 CarbonylContact O-C 3.54Å; V72-R76 CarbonylContact O-C 3.48Å; V72-R76 WeakPolarHBondContact O-CA 3.27Å; V72-R76 PolarHBondContact O-N 3.34Å; V72-A77 HydrophobicContact CG1-CB 4.48Å; V72-A77 PolarHBondContact O-N 2.79Å; V72-V79 HydrophobicContact CG2-CG2 4.05Å; V72-T108 HydrophobicContact CB-CG2 4.19Å; V72-T108 HydrophobicContact CG1-CG2 3.79Å; V72-T108 WeakPolarHBondContact CG1-O 3.41Å; V72-T108 HydrophobicContact CG2-CG2 3.38Å; V72-L111 HydrophobicContact CG1-CB 4.26Å; V72-H112 HydrophobicContact CG1-CB 4.01Å |
| 73 | M | 67.9 | Low | 63.8 | Low | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -59.6 | 179.4 | -76.7 | -51.1 | -66.3 | 0 | 0 | 109.8 | S69 L70 K75 R76 H112 F115 V116 W122 F198 | S69-M73 WeakPolarHBondContact O-CB 3.33Å; S69-M73 WeakPolarHBondContact O-CG 3.48Å; S69-M73 PolarHBondContact O-N 3.43Å; L70-M73 CarbonylContact O-C 3.57Å; L70-M73 PolarHBondContact O-N 3.45Å; L70-M73 VanDerWaalsContact O-N 3.11Å; M73-K75 PolarHBondContact O-N 3.49Å; M73-K75 VanDerWaalsContact O-N 3.15Å; M73-R76 WeakPolarHBondContact O-CA 3.34Å; M73-R76 PolarHBondContact O-N 3.46Å; M73-H112 HydrophobicContact SD-CB 4.29Å; M73-F115 HydrophobicContact CE-CB 3.37Å; M73-F115 HydrophobicContact CE-CD2 4.48Å; M73-F115 HydrophobicContact CE-CG 4.2Å; M73-F115 HydrophobicContact CG-CD2 3.95Å; M73-F115 HydrophobicContact CG-CG 4.46Å; M73-F115 HydrophobicContact SD-CB 3.48Å; M73-F115 WeakPolarHBondContact SD-CB 3.32Å; M73-F115 HydrophobicContact SD-CD2 3.62Å; M73-F115 HydrophobicContact SD-CG 3.92Å; M73-V116 HydrophobicContact CE-CG2 4.43Å; M73-W122 HydrophobicContact CE-CH2 3.53Å; M73-W122 HydrophobicContact CE-CZ3 3.51Å; M73-F198 WeakPolarHBondContact O-CE1 3.2Å |
| 74 | C | 68.1 | Low | 65 | Low | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.088 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -54.2 | -32.9 | 179.6 | -61 | 0 | 0 | 0 | 0 | 113.3 | L70 A146 | L70-C74 WeakPolarHBondContact CD1-SG 3.48Å; L70-C74 WeakPolarHBondContact O-CB 3.31Å; L70-C74 PolarHBondContact O-N 3.48Å; L70-C74 PolarHBondContact O-SG 3.07Å; C74-A146 HydrophobicContact CB-CB 3.87Å; C74-A146 WeakPolarHBondContact SG-CB 3.44Å |
| 75 | K | 69.8 | Low | 66.4 | Low | 76 Ų | 76 | 45.6 Ų | 45.6 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 8.4 | 173.7 | -63.6 | -62.7 | -175 | -169.3 | 0 | 114.4 | L71 V72 M73 A77 Q78 V79 W83 | L71-K75 VanDerWaalsContact O-CB 3.24Å; L71-K75 WeakPolarHBondContact O-CB 3.44Å; L71-K75 PolarHBondContact O-N 3.03Å; V72-K75 CarbonylContact O-C 3.54Å; M73-K75 PolarHBondContact O-N 3.49Å; M73-K75 VanDerWaalsContact O-N 3.15Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.11Å; K75-Q78 WeakPolarHBondContact O-CA 3.15Å; K75-Q78 WeakPolarHBondContact O-CB 3.43Å; K75-Q78 PolarHBondContact O-N 3.39Å; K75-V79 HydrophobicContact CB-CB 4.41Å; K75-V79 HydrophobicContact CB-CG1 4.34Å; K75-V79 HydrophobicContact CB-CG2 4.03Å; K75-V79 HydrophobicContact CG-CG1 4.21Å; K75-W83 HydrophobicContact CD-CH2 4.32Å; K75-W83 HydrophobicContact CD-CZ2 4.46Å; K75-W83 HydrophobicContact CD-CZ3 4.38Å; K75-W83 HydrophobicContact CG-CD2 4.46Å; K75-W83 HydrophobicContact CG-CE3 3.93Å; K75-W83 HydrophobicContact CG-CH2 3.75Å; K75-W83 HydrophobicContact CG-CZ2 4.34Å; K75-W83 HydrophobicContact CG-CZ3 3.47Å; K75-W83 VanDerWaalsContact CG-CZ3 3.47Å |
| 76 | R | 69.2 | Low | 67.9 | Low | 65 Ų | 65 | 51.4 Ų | 51.4 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 44.5 | 175.3 | -59.9 | 175.1 | 57.1 | -170.3 | -3.9 | 113.7 | V72 M73 Q78 H112 G150 F198 | V72-R76 CarbonylContact O-C 3.48Å; V72-R76 WeakPolarHBondContact O-CA 3.27Å; V72-R76 PolarHBondContact O-N 3.34Å; M73-R76 WeakPolarHBondContact O-CA 3.34Å; M73-R76 PolarHBondContact O-N 3.46Å; R76-Q78 PolarHBondContact O-N 2.94Å; R76-Q78 VanDerWaalsContact O-N 3.14Å; R76-H112 WeakPolarHBondContact CA-NE2 3.36Å; R76-H112 WeakPolarHBondContact CB-NE2 3.29Å; R76-G150 VanDerWaalsContact NH1-CA 3.31Å; R76-F198 HydrophobicContact CG-CD1 4.29Å; R76-F198 HydrophobicContact CG-CE1 4.23Å |
| 77 | A | 64.2 | Low | 69.1 | Low | 30 Ų | 30 | 47.8 Ų | 47.8 | 25% | 0.248 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 3.6 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V72 K75 V79 T108 H112 | V72-A77 HydrophobicContact CG1-CB 4.48Å; V72-A77 PolarHBondContact O-N 2.79Å; K75-A77 VanDerWaalsContact C-N 3.32Å; K75-A77 PolarHBondContact O-N 3.11Å; A77-V79 PolarHBondContact O-N 3.3Å; A77-T108 HydrophobicContact CB-CG2 3.76Å; A77-H112 HydrophobicContact CB-CB 4.05Å |
| 78 | Q | 70.4 | Confident | 70 | Confident | 164 Ų | 164 | 48 Ų | 48 | 77% | 0.766 | 25% | 0.247 | S | C | * | . | trans | -95.3 | 62 | 174 | -60.1 | -174.7 | -12.8 | 0 | 0 | 110.7 | K75 R76 P80 | K75-Q78 WeakPolarHBondContact O-CA 3.15Å; K75-Q78 WeakPolarHBondContact O-CB 3.43Å; K75-Q78 PolarHBondContact O-N 3.39Å; R76-Q78 PolarHBondContact O-N 2.94Å; R76-Q78 VanDerWaalsContact O-N 3.14Å; Q78-P80 WeakPolarHBondContact O-CD 3.26Å | ||
| 79 | V | 67.1 | Low | 71 | Confident | 24 Ų | 24 | 51.3 Ų | 51.3 | 15% | 0.145 | 26% | 0.263 | C | S | . | . | trans | -98 | 111.8 | -175.8 | -148.6 | 0 | 0 | 0 | 0 | 110.7 | L71 V72 K75 A77 K81 W83 I84 | L71-V79 HydrophobicContact CB-CG1 4.36Å; V72-V79 HydrophobicContact CG2-CG2 4.05Å; K75-V79 HydrophobicContact CB-CB 4.41Å; K75-V79 HydrophobicContact CB-CG1 4.34Å; K75-V79 HydrophobicContact CB-CG2 4.03Å; K75-V79 HydrophobicContact CG-CG1 4.21Å; A77-V79 PolarHBondContact O-N 3.3Å; V79-K81 PolarHBondContact O-N 3.36Å; V79-W83 HydrophobicContact CG1-CE3 3.4Å; V79-W83 VanDerWaalsContact CG1-CE3 3.4Å; V79-W83 HydrophobicContact CG1-CZ3 3.72Å; V79-I84 HydrophobicContact CB-CD1 3.9Å; V79-I84 HydrophobicContact CB-CG1 4Å; V79-I84 HydrophobicContact CG1-CD1 3.85Å; V79-I84 HydrophobicContact CG1-CG1 3.35Å | ||
| 80 | P | 73.6 | Confident | 71.9 | Confident | 78 Ų | 78 | 53.1 Ų | 53.1 | 51% | 0.506 | 27% | 0.271 | S | S | . | . | trans | -65.6 | 136.8 | 172.1 | -19.1 | 32.3 | 0 | 0 | 0 | 110.5 | Q78 A82 W83 I84 | Q78-P80 WeakPolarHBondContact O-CD 3.26Å; P80-A82 PolarHBondContact O-N 2.9Å; P80-W83 HydrophobicContact CB-CB 4.26Å; P80-W83 HydrophobicContact CG-CB 4.4Å; P80-W83 WeakPolarHBondContact O-CA 3.44Å; P80-W83 WeakPolarHBondContact O-CB 3.3Å; P80-W83 PolarHBondContact O-N 3.23Å; P80-I84 PolarHBondContact O-N 2.95Å | ||
| 81 | K | 73.6 | Confident | 72.3 | Confident | 163 Ų | 163 | 53.5 Ų | 53.5 | 71% | 0.709 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -52.5 | -40.1 | 176.9 | -70.2 | -171.8 | 178.7 | -175.2 | 0 | 113 | V79 W83 I84 N85 | V79-K81 PolarHBondContact O-N 3.36Å; K81-W83 VanDerWaalsContact C-N 3.28Å; K81-W83 PolarHBondContact O-N 3.02Å; K81-I84 PolarHBondContact O-N 3.03Å; K81-N85 WeakPolarHBondContact O-CB 3.43Å; K81-N85 PolarHBondContact O-N 2.65Å; K81-N85 PolarHBondContact O-OD1 2.73Å |
| 82 | A | 79.3 | Confident | 72.8 | Confident | 79 Ų | 79 | 57 Ų | 57 | 65% | 0.653 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.2 | -36.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P80 K86 | P80-A82 PolarHBondContact O-N 2.9Å; A82-K86 WeakPolarHBondContact O-CB 3.34Å; A82-K86 PolarHBondContact O-N 3.09Å; A82-K86 VanDerWaalsContact O-N 3.09Å |
| 83 | W | 73.8 | Confident | 73.5 | Confident | 43 Ų | 43 | 63.1 Ų | 63.1 | 16% | 0.163 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74 | -38.1 | 178 | -169.8 | 87.1 | 0 | 0 | 0 | 111.5 | L71 K75 V79 P80 K81 K86 H87 I142 | L71-W83 HydrophobicContact CB-CH2 4.48Å; L71-W83 HydrophobicContact CB-CZ3 3.74Å; L71-W83 HydrophobicContact CD2-CE3 3.82Å; L71-W83 HydrophobicContact CD2-CH2 3.33Å; L71-W83 HydrophobicContact CD2-CZ2 4.3Å; L71-W83 HydrophobicContact CD2-CZ3 3.07Å; L71-W83 HydrophobicContact CG-CH2 4.45Å; L71-W83 HydrophobicContact CG-CZ3 3.91Å; K75-W83 HydrophobicContact CD-CH2 4.32Å; K75-W83 HydrophobicContact CD-CZ2 4.46Å; K75-W83 HydrophobicContact CD-CZ3 4.38Å; K75-W83 HydrophobicContact CG-CD2 4.46Å; K75-W83 HydrophobicContact CG-CE3 3.93Å; K75-W83 HydrophobicContact CG-CH2 3.75Å; K75-W83 HydrophobicContact CG-CZ2 4.34Å; K75-W83 HydrophobicContact CG-CZ3 3.47Å; K75-W83 VanDerWaalsContact CG-CZ3 3.47Å; V79-W83 HydrophobicContact CG1-CE3 3.4Å; V79-W83 VanDerWaalsContact CG1-CE3 3.4Å; V79-W83 HydrophobicContact CG1-CZ3 3.72Å; P80-W83 HydrophobicContact CB-CB 4.26Å; P80-W83 HydrophobicContact CG-CB 4.4Å; P80-W83 WeakPolarHBondContact O-CA 3.44Å; P80-W83 WeakPolarHBondContact O-CB 3.3Å; P80-W83 PolarHBondContact O-N 3.23Å; K81-W83 VanDerWaalsContact C-N 3.28Å; K81-W83 PolarHBondContact O-N 3.02Å; W83-K86 PolarHBondContact O-N 2.81Å; W83-H87 AromaticContact CD1-CE1 3.81Å; W83-H87 AromaticContact CD2-CE1 3.74Å; W83-H87 AromaticContact CD2-ND1 3.64Å; W83-H87 AromaticContact CE2-CE1 3.16Å; W83-H87 AromaticContact CE2-ND1 3.54Å; W83-H87 AromaticContact CZ2-CE1 3.44Å; W83-H87 VanDerWaalsContact CZ2-CE1 3.44Å; W83-H87 WeakPolarHBondContact CZ2-CE1 3.48Å; W83-H87 AromaticContact CZ2-ND1 3.85Å; W83-H87 AromaticContact CZ2-NE2 3.93Å; W83-H87 AromaticContact NE1-CE1 3.23Å; W83-H87 PolarHBondContact NE1-CE1 2.93Å; W83-H87 AromaticContact NE1-ND1 3.9Å; W83-H87 PolarHBondContact O-N 3.04Å; W83-H87 PolarHBondContact O-ND1 3.06Å; W83-I142 HydrophobicContact CH2-CG2 4.26Å |
| 84 | I | 73.9 | Confident | 73.8 | Confident | 4 Ų | 4 | 67.2 Ų | 67.2 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -54.8 | 170.7 | -65.6 | 166 | 0 | 0 | 0 | 109.8 | Y68 L71 V79 P80 K81 K86 H87 I88 F102 | Y68-I84 HydrophobicContact CD2-CG2 4.3Å; Y68-I84 HydrophobicContact CE2-CD1 3.73Å; Y68-I84 HydrophobicContact CE2-CG1 4.26Å; Y68-I84 HydrophobicContact CE2-CG2 3.92Å; L71-I84 HydrophobicContact CD1-CG1 4.47Å; L71-I84 HydrophobicContact CD1-CG2 4.32Å; V79-I84 HydrophobicContact CB-CD1 3.9Å; V79-I84 HydrophobicContact CB-CG1 4Å; V79-I84 HydrophobicContact CG1-CD1 3.85Å; V79-I84 HydrophobicContact CG1-CG1 3.35Å; P80-I84 PolarHBondContact O-N 2.95Å; K81-I84 PolarHBondContact O-N 3.03Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 3.44Å; I84-H87 PolarHBondContact O-N 2.88Å; I84-I88 HydrophobicContact CG2-CD1 3.48Å; I84-I88 VanDerWaalsContact CG2-CD1 3.48Å; I84-I88 HydrophobicContact CG2-CG1 4.06Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.46Å; I84-F102 HydrophobicContact CG2-CD1 4.17Å; I84-F102 HydrophobicContact CG2-CE1 3.81Å |
| 85 | N | 77.3 | Confident | 73.8 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 44% | 0.439 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.2 | -41.3 | -177.4 | -69.7 | -6.4 | 0 | 0 | 0 | 111.8 | K81 H87 E89 F102 | K81-N85 WeakPolarHBondContact O-CB 3.43Å; K81-N85 PolarHBondContact O-N 2.65Å; K81-N85 PolarHBondContact O-OD1 2.73Å; N85-H87 PolarHBondContact O-N 3.19Å; N85-E89 VanDerWaalsContact O-CB 3.28Å; N85-E89 WeakPolarHBondContact O-CB 3.31Å; N85-E89 PolarHBondContact O-N 3.14Å; N85-F102 VanDerWaalsContact OD1-CE1 3.31Å; N85-F102 WeakPolarHBondContact OD1-CE1 3.2Å; N85-F102 WeakPolarHBondContact OD1-CZ 3.37Å |
| 86 | K | 81.8 | Confident | 73.6 | Confident | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.565 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57.4 | -46.6 | 175.8 | 179.8 | -176.1 | 174.5 | -175.4 | 0 | 112 | A82 W83 I84 L90 | A82-K86 WeakPolarHBondContact O-CB 3.34Å; A82-K86 PolarHBondContact O-N 3.09Å; A82-K86 VanDerWaalsContact O-N 3.09Å; W83-K86 PolarHBondContact O-N 2.81Å; I84-K86 VanDerWaalsContact C-N 3.26Å; I84-K86 PolarHBondContact O-N 3.44Å; K86-L90 HydrophobicContact CG-CD1 4.43Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 3.5Å; K86-L90 VanDerWaalsContact O-N 3.1Å |
| 87 | H | 75.3 | Confident | 73.3 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 2% | 0.023 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -76.7 | -39.4 | -175.9 | -71.9 | 84.7 | 0 | 0 | 0 | 112.3 | L71 W83 I84 N85 E89 L90 L91 I142 | L71-H87 HydrophobicContact CD1-CB 4.41Å; L71-H87 HydrophobicContact CD2-CB 3.75Å; W83-H87 AromaticContact CD1-CE1 3.81Å; W83-H87 AromaticContact CD2-CE1 3.74Å; W83-H87 AromaticContact CD2-ND1 3.64Å; W83-H87 AromaticContact CE2-CE1 3.16Å; W83-H87 AromaticContact CE2-ND1 3.54Å; W83-H87 AromaticContact CZ2-CE1 3.44Å; W83-H87 VanDerWaalsContact CZ2-CE1 3.44Å; W83-H87 WeakPolarHBondContact CZ2-CE1 3.48Å; W83-H87 AromaticContact CZ2-ND1 3.85Å; W83-H87 AromaticContact CZ2-NE2 3.93Å; W83-H87 AromaticContact NE1-CE1 3.23Å; W83-H87 PolarHBondContact NE1-CE1 2.93Å; W83-H87 AromaticContact NE1-ND1 3.9Å; W83-H87 PolarHBondContact O-N 3.04Å; W83-H87 PolarHBondContact O-ND1 3.06Å; I84-H87 PolarHBondContact O-N 2.88Å; N85-H87 PolarHBondContact O-N 3.19Å; H87-E89 PolarHBondContact O-N 3.28Å; H87-L90 PolarHBondContact O-N 3.32Å; H87-L91 WeakPolarHBondContact O-CD1 3.39Å; H87-L91 WeakPolarHBondContact O-CG 3.49Å; H87-L91 PolarHBondContact O-N 3.47Å; H87-I142 HydrophobicContact CB-CD1 4.02Å; H87-I142 WeakPolarHBondContact CD2-CG1 3.42Å |
| 88 | I | 74.7 | Confident | 72.9 | Confident | 14 Ų | 14 | 76.1 Ų | 76.1 | 7% | 0.072 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.4 | -44.1 | 171.4 | -69.1 | -179.7 | 0 | 0 | 0 | 110 | I84 L91 R92 F102 | I84-I88 HydrophobicContact CG2-CD1 3.48Å; I84-I88 VanDerWaalsContact CG2-CD1 3.48Å; I84-I88 HydrophobicContact CG2-CG1 4.06Å; I84-I88 WeakPolarHBondContact O-CG1 3.42Å; I84-I88 PolarHBondContact O-N 3.46Å; I88-L91 PolarHBondContact O-N 2.93Å; I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact O-CG 3.28Å; I88-R92 WeakPolarHBondContact O-CG 3.41Å; I88-R92 PolarHBondContact O-N 3.29Å; I88-F102 HydrophobicContact CD1-CE1 3.95Å; I88-F102 HydrophobicContact CD1-CZ 4.03Å |
| 89 | E | 78.7 | Confident | 72.1 | Confident | 82 Ų | 82 | 69.4 Ų | 69.4 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.8 | -175.2 | 56 | -150.9 | 0 | 0 | 113.2 | N85 H87 L91 R92 Q93 | N85-E89 VanDerWaalsContact O-CB 3.28Å; N85-E89 WeakPolarHBondContact O-CB 3.31Å; N85-E89 PolarHBondContact O-N 3.14Å; H87-E89 PolarHBondContact O-N 3.28Å; E89-L91 PolarHBondContact O-N 2.88Å; E89-R92 WeakPolarHBondContact O-CB 3.14Å; E89-R92 PolarHBondContact O-N 3.09Å; E89-R92 WeakPolarHBondContact OE2-CD 3.35Å; E89-R92 IonicContact OE2-NH1 3.08Å; E89-Q93 WeakPolarHBondContact O-CG 3.29Å; E89-Q93 PolarHBondContact O-N 3.25Å; E89-Q93 PolarHBondContact OE1-NE2 3.43Å; E89-Q93 VanDerWaalsContact OE1-NE2 3.15Å |
| 90 | L | 78.7 | Confident | 71.6 | Confident | 61 Ų | 61 | 73.9 Ų | 73.9 | 32% | 0.319 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 174 | -73.1 | 170 | 0 | 0 | 0 | 111.6 | K86 H87 Q93 E94 A138 | K86-L90 HydrophobicContact CG-CD1 4.43Å; K86-L90 WeakPolarHBondContact O-CG 3.33Å; K86-L90 PolarHBondContact O-N 3.5Å; K86-L90 VanDerWaalsContact O-N 3.1Å; H87-L90 PolarHBondContact O-N 3.32Å; L90-Q93 WeakPolarHBondContact O-CB 3.38Å; L90-Q93 PolarHBondContact O-N 3.14Å; L90-E94 WeakPolarHBondContact O-CG 3.38Å; L90-E94 PolarHBondContact O-N 2.95Å; L90-A138 HydrophobicContact CB-CB 4.1Å |
| 91 | L | 71.3 | Confident | 70.8 | Confident | 10 Ų | 10 | 73.2 Ų | 73.2 | 5% | 0.052 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 178.7 | -74.6 | 156.3 | 0 | 0 | 0 | 113 | I67 H87 I88 E89 Q93 E94 T95 T136 A138 E139 | I67-L91 HydrophobicContact CB-CD1 4.08Å; I67-L91 HydrophobicContact CD1-CD1 3.15Å; I67-L91 HydrophobicContact CD1-CD2 3.82Å; I67-L91 HydrophobicContact CD1-CG 3.98Å; I67-L91 HydrophobicContact CG1-CD1 3.58Å; I67-L91 HydrophobicContact CG2-CD1 3.47Å; I67-L91 VanDerWaalsContact CG2-CD1 3.47Å; H87-L91 WeakPolarHBondContact O-CD1 3.39Å; H87-L91 WeakPolarHBondContact O-CG 3.49Å; H87-L91 PolarHBondContact O-N 3.47Å; I88-L91 PolarHBondContact O-N 2.93Å; E89-L91 PolarHBondContact O-N 2.88Å; L91-Q93 PolarHBondContact O-N 3.12Å; L91-E94 PolarHBondContact O-N 3.01Å; L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 3.42Å; L91-T95 PolarHBondContact O-OG1 3.42Å; L91-T136 HydrophobicContact CD2-CG2 4.3Å; L91-A138 HydrophobicContact CD2-CB 3.58Å; L91-A138 HydrophobicContact CG-CB 3.73Å; L91-E139 HydrophobicContact CD2-CG 3.95Å |
| 92 | R | 74.1 | Confident | 70.2 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 171.4 | -71.2 | 170.7 | 178.7 | -173.1 | -1.9 | 111 | I88 E89 G96 A97 C99 D100 | I88-R92 HydrophobicContact CG2-CG 4.48Å; I88-R92 VanDerWaalsContact O-CG 3.28Å; I88-R92 WeakPolarHBondContact O-CG 3.41Å; I88-R92 PolarHBondContact O-N 3.29Å; E89-R92 WeakPolarHBondContact O-CB 3.14Å; E89-R92 PolarHBondContact O-N 3.09Å; E89-R92 WeakPolarHBondContact OE2-CD 3.35Å; E89-R92 IonicContact OE2-NH1 3.08Å; R92-G96 WeakPolarHBondContact O-CA 3.39Å; R92-G96 PolarHBondContact O-N 2.86Å; R92-A97 VanDerWaalsContact CG-O 3.3Å; R92-A97 WeakPolarHBondContact CG-O 3.22Å; R92-C99 PolarHBondContact NE-O 3.39Å; R92-C99 PolarHBondContact NH2-O 3.21Å; R92-D100 IonicContact CZ-OD1 3.49Å; R92-D100 IonicContact NH2-OD1 2.64Å; R92-D100 PolarHBondContact NH2-OD1 3.48Å |
| 93 | Q | 79.9 | Confident | 69.1 | Low | 130 Ų | 130 | 67.4 Ų | 67.4 | 61% | 0.607 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.7 | -39.8 | 178.8 | -68.8 | 170.9 | 11.2 | 0 | 0 | 112 | E89 L90 L91 | E89-Q93 WeakPolarHBondContact O-CG 3.29Å; E89-Q93 PolarHBondContact O-N 3.25Å; E89-Q93 PolarHBondContact OE1-NE2 3.43Å; E89-Q93 VanDerWaalsContact OE1-NE2 3.15Å; L90-Q93 WeakPolarHBondContact O-CB 3.38Å; L90-Q93 PolarHBondContact O-N 3.14Å; L91-Q93 PolarHBondContact O-N 3.12Å |
| 94 | E | 75 | Confident | 68.4 | Low | 85 Ų | 85 | 68.1 Ų | 68.1 | 40% | 0.397 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -78.2 | -37.7 | -178.5 | -71.7 | -177.2 | -164.7 | 0 | 0 | 113.8 | L90 L91 T137 A138 | L90-E94 WeakPolarHBondContact O-CG 3.38Å; L90-E94 PolarHBondContact O-N 2.95Å; L91-E94 PolarHBondContact O-N 3.01Å; E94-T137 WeakPolarHBondContact OE2-CA 3.26Å; E94-T137 PolarHBondContact OE2-N 3.29Å; E94-A138 VanDerWaalsContact CD-N 3.31Å; E94-A138 WeakPolarHBondContact OE1-CB 3.37Å; E94-A138 PolarHBondContact OE1-N 3.29Å; E94-A138 VanDerWaalsContact OE1-N 3.09Å; E94-A138 WeakPolarHBondContact OE2-CB 3.08Å; E94-A138 PolarHBondContact OE2-N 3.47Å |
| 95 | T | 68.3 | Low | 67.7 | Low | 64 Ų | 64 | 73.7 Ų | 73.7 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -104.1 | -18.2 | -172.5 | 64 | 0 | 0 | 0 | 0 | 113.8 | L91 A97 T136 | L91-T95 WeakPolarHBondContact O-CB 3.42Å; L91-T95 PolarHBondContact O-N 3.42Å; L91-T95 PolarHBondContact O-OG1 3.42Å; T95-A97 PolarHBondContact O-N 3.23Å; T95-A97 WeakPolarHBondContact OG1-CB 3.32Å; T95-A97 PolarHBondContact OG1-N 3.22Å; T95-A97 VanDerWaalsContact OG1-N 3.11Å; T95-T136 HydrophobicContact CG2-CG2 3.52Å |
| 96 | G | 66.3 | Low | 66.4 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 65% | 0.649 | 38% | 0.381 | S | S | * | . | trans | 70.1 | 0.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | R92 | R92-G96 WeakPolarHBondContact O-CA 3.39Å; R92-G96 PolarHBondContact O-N 2.86Å | ||
| 97 | A | 62 | Low | 65.2 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | trans | -68.4 | 135 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q60 R92 T95 C99 | Q60-A97 HydrophobicContact CB-CB 4.29Å; Q60-A97 HydrophobicContact CG-CB 3.93Å; R92-A97 VanDerWaalsContact CG-O 3.3Å; R92-A97 WeakPolarHBondContact CG-O 3.22Å; T95-A97 PolarHBondContact O-N 3.23Å; T95-A97 WeakPolarHBondContact OG1-CB 3.32Å; T95-A97 PolarHBondContact OG1-N 3.22Å; T95-A97 VanDerWaalsContact OG1-N 3.11Å; A97-C99 PolarHBondContact O-N 2.87Å | ||
| 98 | R | 55.1 | Low | 64.5 | Low | 233 Ų | 233 | 68.5 Ų | 68.5 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | trans | -91 | 64 | 173 | -65.1 | -175.4 | -178.5 | -176.8 | 1.4 | 110.8 | ||||
| 99 | C | 53.5 | Low | 63.8 | Low | 22 Ų | 22 | 71.5 Ų | 71.5 | 15% | 0.149 | 38% | 0.381 | C | S | . | . | trans | -89.6 | 120.1 | 177.4 | -157.7 | 0 | 0 | 0 | 0 | 112.7 | A64 R92 A97 F101 | A64-C99 HydrophobicContact CB-CB 3.46Å; A64-C99 VanDerWaalsContact CB-CB 3.46Å; A64-C99 WeakPolarHBondContact CB-SG 3.39Å; R92-C99 PolarHBondContact NE-O 3.39Å; R92-C99 PolarHBondContact NH2-O 3.21Å; A97-C99 PolarHBondContact O-N 2.87Å; C99-F101 VanDerWaalsContact SG-CB 3.57Å; C99-F101 PolarHBondContact SG-N 3.42Å | ||
| 100 | D | 57 | Low | 62.8 | Low | 118 Ų | 118 | 70.4 Ų | 70.4 | 63% | 0.631 | 37% | 0.374 | S | S | * | . | trans | -108.1 | 28 | 172.8 | -71.3 | -47.7 | 0 | 0 | 0 | 111.9 | R92 F102 | R92-D100 IonicContact CZ-OD1 3.49Å; R92-D100 IonicContact NH2-OD1 2.64Å; R92-D100 PolarHBondContact NH2-OD1 3.48Å; D100-F102 WeakPolarHBondContact O-CD2 3.28Å; D100-F102 PolarHBondContact O-N 3.21Å | ||
| 101 | F | 56.5 | Low | 61.9 | Low | 65 Ų | 65 | 67.8 Ų | 67.8 | 29% | 0.285 | 36% | 0.36 | S | S | . | . | trans | -77 | 115.1 | -178.5 | -174.4 | -106.7 | 0 | 0 | 0 | 112.4 | F4 A64 A65 C99 P103 | F4-F101 HydrophobicContact CE1-CZ 4.33Å; F4-F101 HydrophobicContact CZ-CE2 4.47Å; F4-F101 AromaticContact CZ-CZ 3.88Å; F4-F101 HydrophobicContact CZ-CZ 3.88Å; A64-F101 HydrophobicContact CB-CB 4.27Å; A65-F101 HydrophobicContact CB-CD1 4.22Å; A65-F101 HydrophobicContact CB-CE1 4.02Å; C99-F101 VanDerWaalsContact SG-CB 3.57Å; C99-F101 PolarHBondContact SG-N 3.42Å; F101-P103 HydrophobicContact CD1-CG 4.37Å; F101-P103 HydrophobicContact CE1-CB 3.75Å; F101-P103 VanDerWaalsContact CE1-CD 3.46Å; F101-P103 HydrophobicContact CE1-CG 3.66Å; F101-P103 HydrophobicContact CZ-CB 3.68Å; F101-P103 HydrophobicContact CZ-CG 4.14Å | ||
| 102 | F | 61.8 | Low | 61.6 | Low | 105 Ų | 105 | 67.8 Ų | 67.8 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | trans | -124.3 | 99.1 | 168.5 | -64.7 | -88.5 | 0 | 0 | 0 | 108.6 | I84 N85 I88 D100 | I84-F102 HydrophobicContact CG2-CD1 4.17Å; I84-F102 HydrophobicContact CG2-CE1 3.81Å; N85-F102 VanDerWaalsContact OD1-CE1 3.31Å; N85-F102 WeakPolarHBondContact OD1-CE1 3.2Å; N85-F102 WeakPolarHBondContact OD1-CZ 3.37Å; I88-F102 HydrophobicContact CD1-CE1 3.95Å; I88-F102 HydrophobicContact CD1-CZ 4.03Å; D100-F102 WeakPolarHBondContact O-CD2 3.28Å; D100-F102 PolarHBondContact O-N 3.21Å | ||
| 103 | P | 56.5 | Low | 61.2 | Low | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | trans | -67.1 | 154.2 | 174.2 | 30.9 | -32.7 | 0 | 0 | 0 | 110.4 | Y68 F101 V107 | Y68-P103 HydrophobicContact CD1-CG 3.1Å; Y68-P103 HydrophobicContact CD2-CG 3.95Å; Y68-P103 HydrophobicContact CE1-CB 4.46Å; Y68-P103 HydrophobicContact CE1-CG 3.07Å; Y68-P103 HydrophobicContact CE2-CG 3.92Å; Y68-P103 VanDerWaalsContact CG-CD 3.48Å; Y68-P103 HydrophobicContact CG-CG 3.55Å; Y68-P103 VanDerWaalsContact CZ-CG 3.46Å; F101-P103 HydrophobicContact CD1-CG 4.37Å; F101-P103 HydrophobicContact CE1-CB 3.75Å; F101-P103 VanDerWaalsContact CE1-CD 3.46Å; F101-P103 HydrophobicContact CE1-CG 3.66Å; F101-P103 HydrophobicContact CZ-CB 3.68Å; F101-P103 HydrophobicContact CZ-CG 4.14Å; P103-V107 HydrophobicContact CB-CB 4Å; P103-V107 HydrophobicContact CB-CG1 3.89Å | ||
| 104 | A | 57.8 | Low | 60.5 | Low | 58 Ų | 58 | 65.1 Ų | 65.1 | 48% | 0.479 | 35% | 0.353 | S | S | . | . | trans | -62.8 | 151.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S106 V107 T108 | A104-S106 PolarHBondContact O-N 2.97Å; A104-V107 WeakPolarHBondContact O-CB 3.33Å; A104-V107 PolarHBondContact O-N 2.95Å; A104-T108 PolarHBondContact O-N 3.05Å; A104-T108 PolarHBondContact O-OG1 3.34Å | ||
| 105 | D | 59.7 | Low | 60.2 | Low | 121 Ų | 121 | 63.4 Ų | 63.4 | 65% | 0.647 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -55 | -26.9 | 178.1 | -67.2 | -21.2 | 0 | 0 | 0 | 113.2 | T108 T109 | D105-T108 WeakPolarHBondContact O-CB 3.3Å; D105-T109 WeakPolarHBondContact O-CB 3.42Å; D105-T109 PolarHBondContact O-N 2.98Å; D105-T109 PolarHBondContact O-OG1 3.39Å |
| 106 | S | 51.2 | Low | 60.2 | Low | 79 Ų | 79 | 61 Ų | 61 | 55% | 0.552 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 174.3 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | A104 T108 T109 Y110 | A104-S106 PolarHBondContact O-N 2.97Å; S106-T108 VanDerWaalsContact C-N 3.33Å; S106-T109 PolarHBondContact O-N 2.84Å; S106-Y110 WeakPolarHBondContact O-CB 3.29Å; S106-Y110 PolarHBondContact O-N 3.02Å |
| 107 | V | 55.2 | Low | 60.3 | Low | 25 Ų | 25 | 61.5 Ų | 61.5 | 15% | 0.152 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -43 | 177.5 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | F3 P103 A104 Y110 L111 | F3-V107 HydrophobicContact CE1-CG1 3.89Å; F3-V107 HydrophobicContact CZ-CG1 3.92Å; P103-V107 HydrophobicContact CB-CB 4Å; P103-V107 HydrophobicContact CB-CG1 3.89Å; A104-V107 WeakPolarHBondContact O-CB 3.33Å; A104-V107 PolarHBondContact O-N 2.95Å; V107-Y110 PolarHBondContact O-N 3.11Å; V107-L111 HydrophobicContact CG1-CD1 3.99Å; V107-L111 HydrophobicContact CG1-CG 4.45Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.16Å |
| 108 | T | 61.7 | Low | 60.7 | Low | 4 Ų | 4 | 67.2 Ų | 67.2 | 3% | 0.025 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56 | -52.7 | 173.6 | -61.6 | 0 | 0 | 0 | 0 | 112.5 | Y68 V72 A77 A104 D105 S106 Y110 L111 H112 | Y68-T108 VanDerWaalsContact CE1-OG1 3.3Å; Y68-T108 WeakPolarHBondContact CE1-OG1 3.22Å; V72-T108 HydrophobicContact CB-CG2 4.19Å; V72-T108 HydrophobicContact CG1-CG2 3.79Å; V72-T108 WeakPolarHBondContact CG1-O 3.41Å; V72-T108 HydrophobicContact CG2-CG2 3.38Å; A77-T108 HydrophobicContact CB-CG2 3.76Å; A104-T108 PolarHBondContact O-N 3.05Å; A104-T108 PolarHBondContact O-OG1 3.34Å; D105-T108 WeakPolarHBondContact O-CB 3.3Å; S106-T108 VanDerWaalsContact C-N 3.33Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.41Å; T108-L111 PolarHBondContact O-N 2.93Å; T108-H112 PolarHBondContact O-N 3.32Å |
| 109 | T | 59.7 | Low | 61.5 | Low | 78 Ų | 78 | 57.3 Ų | 57.3 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | -178.5 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | D105 S106 T113 | D105-T109 WeakPolarHBondContact O-CB 3.42Å; D105-T109 PolarHBondContact O-N 2.98Å; D105-T109 PolarHBondContact O-OG1 3.39Å; S106-T109 PolarHBondContact O-N 2.84Å; T109-T113 WeakPolarHBondContact O-CB 3.41Å; T109-T113 PolarHBondContact O-N 3.21Å; T109-T113 PolarHBondContact O-OG1 3.47Å |
| 110 | Y | 57 | Low | 62.7 | Low | 59 Ų | 59 | 63.7 Ų | 63.7 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -70.3 | -47.4 | 179 | 176.4 | -93.9 | 0 | 0 | 0 | 112.4 | F3 K7 S106 V107 T108 H112 T113 Y114 | F3-Y110 HydrophobicContact CD2-CD1 4.35Å; F3-Y110 AromaticContact CD2-CE1 3.98Å; F3-Y110 HydrophobicContact CD2-CE1 3.98Å; F3-Y110 AromaticContact CE2-CD1 3.28Å; F3-Y110 HydrophobicContact CE2-CD1 3.28Å; F3-Y110 AromaticContact CE2-CE1 3.32Å; F3-Y110 HydrophobicContact CE2-CE1 3.32Å; F3-Y110 AromaticContact CZ-CD1 3.72Å; F3-Y110 HydrophobicContact CZ-CD1 3.72Å; F3-Y110 HydrophobicContact CZ-CE1 4.11Å; K7-Y110 VanDerWaalsContact NZ-CD2 3.27Å; K7-Y110 VanDerWaalsContact NZ-CG 3.27Å; S106-Y110 WeakPolarHBondContact O-CB 3.29Å; S106-Y110 PolarHBondContact O-N 3.02Å; V107-Y110 PolarHBondContact O-N 3.11Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.41Å; Y110-H112 VanDerWaalsContact C-N 3.27Å; Y110-H112 PolarHBondContact O-N 3.44Å; Y110-T113 PolarHBondContact O-N 2.89Å; Y110-Y114 WeakPolarHBondContact O-CB 3.47Å; Y110-Y114 PolarHBondContact O-N 3.41Å |
| 111 | L | 60.7 | Low | 63.9 | Low | 6 Ų | 6 | 61.4 Ų | 61.4 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -50.6 | -50.9 | 175.3 | -82 | 165.8 | 0 | 0 | 0 | 110.8 | F3 V72 V107 T108 T113 Y114 F115 | F3-L111 HydrophobicContact CD1-CD2 3.97Å; F3-L111 HydrophobicContact CD2-CD2 3.38Å; F3-L111 HydrophobicContact CD2-CG 4.26Å; F3-L111 HydrophobicContact CE1-CD1 4.39Å; F3-L111 HydrophobicContact CE1-CD2 3.77Å; F3-L111 HydrophobicContact CE1-CG 4Å; F3-L111 HydrophobicContact CE2-CB 4.37Å; F3-L111 HydrophobicContact CE2-CD2 3.08Å; F3-L111 HydrophobicContact CE2-CG 3.46Å; F3-L111 VanDerWaalsContact CE2-CG 3.46Å; F3-L111 HydrophobicContact CG-CD2 3.81Å; F3-L111 HydrophobicContact CZ-CD1 4.14Å; F3-L111 HydrophobicContact CZ-CD2 3.35Å; F3-L111 HydrophobicContact CZ-CG 3.35Å; V72-L111 HydrophobicContact CG1-CB 4.26Å; V107-L111 HydrophobicContact CG1-CD1 3.99Å; V107-L111 HydrophobicContact CG1-CG 4.45Å; V107-L111 WeakPolarHBondContact O-CB 3.36Å; V107-L111 WeakPolarHBondContact O-CG 3.29Å; V107-L111 PolarHBondContact O-N 3.16Å; T108-L111 PolarHBondContact O-N 2.93Å; L111-T113 VanDerWaalsContact C-N 3.35Å; L111-T113 PolarHBondContact O-N 2.91Å; L111-Y114 PolarHBondContact O-N 3.34Å; L111-F115 HydrophobicContact CD2-CD2 4.42Å; L111-F115 HydrophobicContact CD2-CE2 3.78Å; L111-F115 WeakPolarHBondContact O-CB 3.42Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.28Å |
| 112 | H | 64.5 | Low | 65.3 | Low | 10 Ų | 10 | 58.6 Ų | 58.6 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 177.9 | 173.8 | -112.8 | 0 | 0 | 0 | 112.3 | V72 M73 R76 A77 T108 Y110 V116 R203 | V72-H112 HydrophobicContact CG1-CB 4.01Å; M73-H112 HydrophobicContact SD-CB 4.29Å; R76-H112 WeakPolarHBondContact CA-NE2 3.36Å; R76-H112 WeakPolarHBondContact CB-NE2 3.29Å; A77-H112 HydrophobicContact CB-CB 4.05Å; T108-H112 PolarHBondContact O-N 3.32Å; Y110-H112 VanDerWaalsContact C-N 3.27Å; Y110-H112 PolarHBondContact O-N 3.44Å; H112-V116 WeakPolarHBondContact O-CB 3.06Å; H112-V116 WeakPolarHBondContact O-CG2 3.18Å; H112-V116 PolarHBondContact O-N 2.83Å; H112-R203 PolarHBondContact CE1-NH2 2.77Å |
| 113 | T | 64.7 | Low | 66.4 | Low | 77 Ų | 77 | 55.9 Ų | 55.9 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 179.1 | -56 | 0 | 0 | 0 | 0 | 111.9 | T109 Y110 L111 V116 A117 | T109-T113 WeakPolarHBondContact O-CB 3.41Å; T109-T113 PolarHBondContact O-N 3.21Å; T109-T113 PolarHBondContact O-OG1 3.47Å; Y110-T113 PolarHBondContact O-N 2.89Å; L111-T113 VanDerWaalsContact C-N 3.35Å; L111-T113 PolarHBondContact O-N 2.91Å; T113-V116 PolarHBondContact O-N 3.43Å; T113-A117 WeakPolarHBondContact O-CB 3.14Å; T113-A117 PolarHBondContact O-N 2.91Å |
| 114 | Y | 65.2 | Low | 67.6 | Low | 70 Ų | 70 | 61.1 Ų | 61.1 | 28% | 0.275 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.4 | -55.6 | 177.9 | 176.5 | -94.3 | 0 | 0 | 0 | 111.3 | Y110 L111 V116 A117 E118 | Y110-Y114 WeakPolarHBondContact O-CB 3.47Å; Y110-Y114 PolarHBondContact O-N 3.41Å; L111-Y114 PolarHBondContact O-N 3.34Å; Y114-V116 PolarHBondContact O-N 3.18Å; Y114-A117 PolarHBondContact O-N 3.14Å; Y114-E118 HydrophobicContact CD1-CG 4.37Å; Y114-E118 HydrophobicContact CD2-CG 3.99Å; Y114-E118 HydrophobicContact CE1-CG 4.05Å; Y114-E118 HydrophobicContact CE2-CG 3.66Å; Y114-E118 HydrophobicContact CG-CG 4.34Å; Y114-E118 WeakPolarHBondContact O-CB 3.36Å; Y114-E118 WeakPolarHBondContact O-CG 3.45Å; Y114-E118 PolarHBondContact O-N 2.78Å |
| 115 | F | 68.6 | Low | 68.6 | Low | 49 Ų | 49 | 60.1 Ų | 60.1 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -30.6 | 179.5 | -76.1 | -61.9 | 0 | 0 | 0 | 112.3 | M73 L111 N119 W122 Y125 | M73-F115 HydrophobicContact CE-CB 3.37Å; M73-F115 HydrophobicContact CE-CD2 4.48Å; M73-F115 HydrophobicContact CE-CG 4.2Å; M73-F115 HydrophobicContact CG-CD2 3.95Å; M73-F115 HydrophobicContact CG-CG 4.46Å; M73-F115 HydrophobicContact SD-CB 3.48Å; M73-F115 WeakPolarHBondContact SD-CB 3.32Å; M73-F115 HydrophobicContact SD-CD2 3.62Å; M73-F115 HydrophobicContact SD-CG 3.92Å; L111-F115 HydrophobicContact CD2-CD2 4.42Å; L111-F115 HydrophobicContact CD2-CE2 3.78Å; L111-F115 WeakPolarHBondContact O-CB 3.42Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 3.28Å; F115-N119 WeakPolarHBondContact O-CB 3.23Å; F115-N119 PolarHBondContact O-N 2.84Å; F115-W122 WeakPolarHBondContact O-CH2 2.97Å; F115-Y125 HydrophobicContact CD1-CE2 4Å; F115-Y125 HydrophobicContact CE1-CE2 4.1Å |
| 116 | V | 69.2 | Low | 69.6 | Low | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.9 | -33.2 | 174.6 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | M73 H112 T113 Y114 W122 | M73-V116 HydrophobicContact CE-CG2 4.43Å; H112-V116 WeakPolarHBondContact O-CB 3.06Å; H112-V116 WeakPolarHBondContact O-CG2 3.18Å; H112-V116 PolarHBondContact O-N 2.83Å; T113-V116 PolarHBondContact O-N 3.43Å; Y114-V116 PolarHBondContact O-N 3.18Å; V116-W122 HydrophobicContact CB-CH2 4.49Å; V116-W122 HydrophobicContact CB-CZ2 4.37Å; V116-W122 HydrophobicContact CG2-CH2 3.93Å; V116-W122 HydrophobicContact CG2-CZ2 4.07Å |
| 117 | A | 69.1 | Low | 71 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -78.4 | -42 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T113 Y114 | T113-A117 WeakPolarHBondContact O-CB 3.14Å; T113-A117 PolarHBondContact O-N 2.91Å; Y114-A117 PolarHBondContact O-N 3.14Å |
| 118 | E | 69.7 | Low | 72 | Confident | 131 Ų | 131 | 57.7 Ų | 57.7 | 61% | 0.612 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -84.3 | -14.4 | -173.9 | -65.8 | -58.6 | 137.7 | 0 | 0 | 113.8 | Y114 | Y114-E118 HydrophobicContact CD1-CG 4.37Å; Y114-E118 HydrophobicContact CD2-CG 3.99Å; Y114-E118 HydrophobicContact CE1-CG 4.05Å; Y114-E118 HydrophobicContact CE2-CG 3.66Å; Y114-E118 HydrophobicContact CG-CG 4.34Å; Y114-E118 WeakPolarHBondContact O-CB 3.36Å; Y114-E118 WeakPolarHBondContact O-CG 3.45Å; Y114-E118 PolarHBondContact O-N 2.78Å |
| 119 | N | 72.5 | Confident | 72.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | trans | -107 | 113.2 | -172 | -159.2 | -23 | 0 | 0 | 0 | 112.4 | F115 N121 W122 Y125 | F115-N119 WeakPolarHBondContact O-CB 3.23Å; F115-N119 PolarHBondContact O-N 2.84Å; N119-N121 VanDerWaalsContact OD1-C 3.24Å; N119-N121 PolarHBondContact OD1-N 3.26Å; N119-N121 PolarHBondContact OD1-O 3.38Å; N119-W122 HydrophobicContact CB-CH2 4.11Å; N119-W122 HydrophobicContact CB-CZ2 4.07Å; N119-W122 HydrophobicContact CB-CZ3 4.4Å; N119-W122 PolarHBondContact O-NE1 3.23Å; N119-Y125 WeakPolarHBondContact ND2-CB 3.37Å; N119-Y125 WeakPolarHBondContact ND2-CD2 3.27Å | ||
| 120 | D | 77.4 | Confident | 73.3 | Confident | 155 Ų | 155 | 57.4 Ų | 57.4 | 83% | 0.829 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -97.2 | -14.7 | 175.5 | 65.1 | -9.2 | 0 | 0 | 0 | 113.1 | ||
| 121 | N | 83.7 | Confident | 74.1 | Confident | 70 Ų | 70 | 61.1 Ų | 61.1 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | trans | -128.9 | 75.4 | -174.5 | -166.2 | -26.1 | 0 | 0 | 0 | 112 | N119 P123 K124 Y125 | N119-N121 VanDerWaalsContact OD1-C 3.24Å; N119-N121 PolarHBondContact OD1-N 3.26Å; N119-N121 PolarHBondContact OD1-O 3.38Å; N121-P123 WeakPolarHBondContact OD1-CD 3.21Å; N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 PolarHBondContact O-N 3.3Å; N121-K124 VanDerWaalsContact OD1-CB 3.29Å; N121-K124 WeakPolarHBondContact OD1-CB 3.42Å; N121-K124 PolarHBondContact OD1-N 3.29Å; N121-Y125 PolarHBondContact O-N 2.78Å | ||
| 122 | W | 84.6 | Confident | 74.3 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 3% | 0.027 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -56.1 | -42.7 | 177.3 | -63.5 | 98.7 | 0 | 0 | 0 | 114.7 | M73 F115 V116 N119 K124 Y125 F126 F198 | M73-W122 HydrophobicContact CE-CH2 3.53Å; M73-W122 HydrophobicContact CE-CZ3 3.51Å; F115-W122 WeakPolarHBondContact O-CH2 2.97Å; V116-W122 HydrophobicContact CB-CH2 4.49Å; V116-W122 HydrophobicContact CB-CZ2 4.37Å; V116-W122 HydrophobicContact CG2-CH2 3.93Å; V116-W122 HydrophobicContact CG2-CZ2 4.07Å; N119-W122 HydrophobicContact CB-CH2 4.11Å; N119-W122 HydrophobicContact CB-CZ2 4.07Å; N119-W122 HydrophobicContact CB-CZ3 4.4Å; N119-W122 PolarHBondContact O-NE1 3.23Å; W122-K124 VanDerWaalsContact C-N 3.34Å; W122-K124 PolarHBondContact O-N 3.47Å; W122-Y125 HydrophobicContact CE3-CD1 4.1Å; W122-Y125 HydrophobicContact CZ3-CD1 4.21Å; W122-Y125 HydrophobicContact CZ3-CE1 4.32Å; W122-Y125 WeakPolarHBondContact O-CB 3.48Å; W122-Y125 PolarHBondContact O-N 3.23Å; W122-F126 HydrophobicContact CB-CD2 4.41Å; W122-F126 HydrophobicContact CE3-CD2 4.39Å; W122-F126 AromaticContact CE3-CE2 3.79Å; W122-F126 HydrophobicContact CE3-CE2 3.79Å; W122-F126 HydrophobicContact CZ3-CE2 4.49Å; W122-F126 VanDerWaalsContact O-CD2 3.32Å; W122-F126 WeakPolarHBondContact O-CD2 3.38Å; W122-F126 PolarHBondContact O-N 3.05Å; W122-F198 HydrophobicContact CD2-CB 3.51Å; W122-F198 HydrophobicContact CD2-CG 4.48Å; W122-F198 HydrophobicContact CE3-CB 3.62Å; W122-F198 HydrophobicContact CE3-CG 4.21Å; W122-F198 HydrophobicContact CG-CB 4.14Å; W122-F198 HydrophobicContact CH2-CB 3.9Å; W122-F198 HydrophobicContact CZ2-CB 3.79Å; W122-F198 WeakPolarHBondContact CZ2-O 3.49Å; W122-F198 HydrophobicContact CZ3-CB 3.82Å; W122-F198 HydrophobicContact CZ3-CG 4.39Å |
| 123 | P | 85.2 | Confident | 74.7 | Confident | 48 Ų | 48 | 64.3 Ų | 64.3 | 31% | 0.312 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55.8 | -47.4 | 175.5 | -27.2 | 35.3 | 0 | 0 | 0 | 112.8 | N121 Y125 Q127 N193 | N121-P123 WeakPolarHBondContact OD1-CD 3.21Å; P123-Y125 VanDerWaalsContact C-N 3.34Å; P123-Y125 PolarHBondContact O-N 3.12Å; P123-Q127 VanDerWaalsContact O-CB 3.27Å; P123-Q127 WeakPolarHBondContact O-CB 3.37Å; P123-Q127 PolarHBondContact O-N 2.69Å; P123-N193 WeakPolarHBondContact CD-OD1 3.5Å; P123-N193 HydrophobicContact CG-CB 4.15Å; P123-N193 VanDerWaalsContact CG-OD1 3.32Å; P123-N193 WeakPolarHBondContact CG-OD1 3.27Å |
| 124 | K | 81.6 | Confident | 74.8 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 54% | 0.535 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 177.9 | -175.5 | 178.9 | 179 | -176.1 | 0 | 111.6 | N121 W122 Q127 N128 | N121-K124 HydrophobicContact CB-CB 4.22Å; N121-K124 PolarHBondContact O-N 3.3Å; N121-K124 VanDerWaalsContact OD1-CB 3.29Å; N121-K124 WeakPolarHBondContact OD1-CB 3.42Å; N121-K124 PolarHBondContact OD1-N 3.29Å; W122-K124 VanDerWaalsContact C-N 3.34Å; W122-K124 PolarHBondContact O-N 3.47Å; K124-Q127 PolarHBondContact O-N 3.01Å; K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 VanDerWaalsContact O-CG 3.23Å; K124-N128 PolarHBondContact O-N 3.3Å; K124-N128 PolarHBondContact O-ND2 3.49Å |
| 125 | Y | 78.8 | Confident | 75 | Confident | 37 Ų | 37 | 67.6 Ų | 67.6 | 15% | 0.145 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -53.5 | 176.6 | 177.1 | -98.4 | 0 | 0 | 0 | 112 | F115 N119 N121 W122 P123 Q127 N128 M129 | F115-Y125 HydrophobicContact CD1-CE2 4Å; F115-Y125 HydrophobicContact CE1-CE2 4.1Å; N119-Y125 WeakPolarHBondContact ND2-CB 3.37Å; N119-Y125 WeakPolarHBondContact ND2-CD2 3.27Å; N121-Y125 PolarHBondContact O-N 2.78Å; W122-Y125 HydrophobicContact CE3-CD1 4.1Å; W122-Y125 HydrophobicContact CZ3-CD1 4.21Å; W122-Y125 HydrophobicContact CZ3-CE1 4.32Å; W122-Y125 WeakPolarHBondContact O-CB 3.48Å; W122-Y125 PolarHBondContact O-N 3.23Å; P123-Y125 VanDerWaalsContact C-N 3.34Å; P123-Y125 PolarHBondContact O-N 3.12Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 3.02Å; Y125-N128 WeakPolarHBondContact O-CB 3.36Å; Y125-N128 PolarHBondContact O-N 3.47Å; Y125-N128 VanDerWaalsContact O-N 3.12Å; Y125-M129 HydrophobicContact CD1-CG 4.27Å; Y125-M129 HydrophobicContact CD1-SD 3.89Å; Y125-M129 HydrophobicContact CE1-CE 4.35Å; Y125-M129 HydrophobicContact CE1-CG 4.02Å; Y125-M129 HydrophobicContact CE1-SD 3.23Å; Y125-M129 WeakPolarHBondContact CE1-SD 3.06Å; Y125-M129 WeakPolarHBondContact O-CG 3.21Å; Y125-M129 PolarHBondContact O-N 3.42Å |
| 126 | F | 81.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.8 | -31.3 | 179.1 | -78 | -70.9 | 0 | 0 | 0 | 112.5 | W122 M129 L130 V143 A146 Y195 F198 | W122-F126 HydrophobicContact CB-CD2 4.41Å; W122-F126 HydrophobicContact CE3-CD2 4.39Å; W122-F126 AromaticContact CE3-CE2 3.79Å; W122-F126 HydrophobicContact CE3-CE2 3.79Å; W122-F126 HydrophobicContact CZ3-CE2 4.49Å; W122-F126 VanDerWaalsContact O-CD2 3.32Å; W122-F126 WeakPolarHBondContact O-CD2 3.38Å; W122-F126 PolarHBondContact O-N 3.05Å; F126-M129 HydrophobicContact CD1-SD 4.03Å; F126-M129 HydrophobicContact CE1-SD 4.19Å; F126-M129 PolarHBondContact O-N 3.3Å; F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.47Å; F126-V143 HydrophobicContact CD1-CG1 3.99Å; F126-A146 HydrophobicContact CD1-CB 4.27Å; F126-A146 HydrophobicContact CE1-CB 3.62Å; F126-A146 HydrophobicContact CZ-CB 4.08Å; F126-Y195 HydrophobicContact CB-CD1 4.24Å; F126-Y195 HydrophobicContact CB-CD2 4.08Å; F126-Y195 HydrophobicContact CB-CE1 3.8Å; F126-Y195 HydrophobicContact CB-CE2 3.62Å; F126-Y195 HydrophobicContact CB-CG 4.36Å; F126-Y195 VanDerWaalsContact CB-CZ 3.46Å; F126-Y195 HydrophobicContact CD1-CD1 4.24Å; F126-Y195 AromaticContact CD1-CE1 3.93Å; F126-Y195 HydrophobicContact CD1-CE1 3.93Å; F126-Y195 AromaticContact CD2-CD1 3.16Å; F126-Y195 HydrophobicContact CD2-CD1 3.16Å; F126-Y195 AromaticContact CD2-CD2 3.75Å; F126-Y195 HydrophobicContact CD2-CD2 3.75Å; F126-Y195 AromaticContact CD2-CE1 3.58Å; F126-Y195 HydrophobicContact CD2-CE1 3.58Å; F126-Y195 HydrophobicContact CD2-CE2 4.11Å; F126-Y195 AromaticContact CD2-CG 3.24Å; F126-Y195 HydrophobicContact CD2-CG 3.24Å; F126-Y195 HydrophobicContact CE1-CD1 4.41Å; F126-Y195 HydrophobicContact CE1-CE1 4.39Å; F126-Y195 AromaticContact CE2-CD1 3.39Å; F126-Y195 HydrophobicContact CE2-CD1 3.39Å; F126-Y195 HydrophobicContact CE2-CE1 4.07Å; F126-Y195 AromaticContact CE2-CG 3.7Å; F126-Y195 HydrophobicContact CE2-CG 3.7Å; F126-Y195 AromaticContact CG-CD1 3.62Å; F126-Y195 HydrophobicContact CG-CD1 3.62Å; F126-Y195 HydrophobicContact CG-CD2 4.21Å; F126-Y195 AromaticContact CG-CE1 3.48Å; F126-Y195 HydrophobicContact CG-CE1 3.48Å; F126-Y195 VanDerWaalsContact CG-CE1 3.48Å; F126-Y195 HydrophobicContact CG-CE2 4.09Å; F126-Y195 AromaticContact CG-CG 3.98Å; F126-Y195 HydrophobicContact CG-CG 3.98Å; F126-Y195 AromaticContact CG-CZ 3.73Å; F126-Y195 HydrophobicContact CZ-CD1 4.02Å; F126-Y195 HydrophobicContact CZ-CE1 4.45Å; F126-F198 HydrophobicContact CE2-CD1 4.3Å; F126-F198 AromaticContact CE2-CD2 3.69Å; F126-F198 HydrophobicContact CE2-CD2 3.69Å; F126-F198 HydrophobicContact CE2-CE1 4.4Å; F126-F198 AromaticContact CE2-CE2 3.82Å; F126-F198 HydrophobicContact CE2-CE2 3.82Å; F126-F198 AromaticContact CE2-CG 3.95Å; F126-F198 HydrophobicContact CE2-CG 3.95Å; F126-F198 HydrophobicContact CE2-CZ 4.19Å; F126-F198 AromaticContact CZ-CD1 4Å; F126-F198 HydrophobicContact CZ-CD1 4Å; F126-F198 AromaticContact CZ-CD2 3.97Å; F126-F198 HydrophobicContact CZ-CD2 3.97Å; F126-F198 AromaticContact CZ-CE1 3.75Å; F126-F198 HydrophobicContact CZ-CE1 3.75Å; F126-F198 AromaticContact CZ-CE2 3.74Å; F126-F198 HydrophobicContact CZ-CE2 3.74Å; F126-F198 HydrophobicContact CZ-CG 4.1Å; F126-F198 AromaticContact CZ-CZ 3.62Å; F126-F198 HydrophobicContact CZ-CZ 3.62Å |
| 127 | Q | 80.3 | Confident | 75.6 | Confident | 97 Ų | 97 | 69.6 Ų | 69.6 | 45% | 0.453 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 170.2 | -174.3 | -179.8 | 34.6 | 0 | 0 | 112.1 | P123 K124 Y125 M129 L130 R131 | P123-Q127 VanDerWaalsContact O-CB 3.27Å; P123-Q127 WeakPolarHBondContact O-CB 3.37Å; P123-Q127 PolarHBondContact O-N 2.69Å; K124-Q127 PolarHBondContact O-N 3.01Å; Y125-Q127 VanDerWaalsContact C-N 3.3Å; Y125-Q127 PolarHBondContact O-N 3.02Å; Q127-M129 VanDerWaalsContact C-N 3.32Å; Q127-L130 PolarHBondContact O-N 3.42Å; Q127-R131 WeakPolarHBondContact O-CG 3.27Å; Q127-R131 PolarHBondContact O-N 3.31Å; Q127-R131 VanDerWaalsContact O-N 3.09Å |
| 128 | N | 75.2 | Confident | 75.9 | Confident | 78 Ų | 78 | 66.1 Ų | 66.1 | 42% | 0.417 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.1 | -71.6 | -16.5 | 0 | 0 | 0 | 111.5 | K124 Y125 R131 A132 | K124-N128 WeakPolarHBondContact O-CB 3.44Å; K124-N128 VanDerWaalsContact O-CG 3.23Å; K124-N128 PolarHBondContact O-N 3.3Å; K124-N128 PolarHBondContact O-ND2 3.49Å; Y125-N128 WeakPolarHBondContact O-CB 3.36Å; Y125-N128 PolarHBondContact O-N 3.47Å; Y125-N128 VanDerWaalsContact O-N 3.12Å; N128-R131 PolarHBondContact O-N 3.43Å; N128-A132 WeakPolarHBondContact O-CB 3.32Å; N128-A132 PolarHBondContact O-N 3.26Å |
| 129 | M | 73.7 | Confident | 76 | Confident | 30 Ų | 30 | 60.7 Ų | 60.7 | 15% | 0.148 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -48.1 | 173.2 | -65.3 | -167.7 | 95.7 | 0 | 0 | 111.3 | L70 Y125 F126 Q127 R131 A132 S133 V143 | L70-M129 HydrophobicContact CB-CE 3.78Å; L70-M129 HydrophobicContact CD1-CE 3.24Å; L70-M129 HydrophobicContact CD1-SD 3.66Å; L70-M129 HydrophobicContact CG-CE 4.08Å; Y125-M129 HydrophobicContact CD1-CG 4.27Å; Y125-M129 HydrophobicContact CD1-SD 3.89Å; Y125-M129 HydrophobicContact CE1-CE 4.35Å; Y125-M129 HydrophobicContact CE1-CG 4.02Å; Y125-M129 HydrophobicContact CE1-SD 3.23Å; Y125-M129 WeakPolarHBondContact CE1-SD 3.06Å; Y125-M129 WeakPolarHBondContact O-CG 3.21Å; Y125-M129 PolarHBondContact O-N 3.42Å; F126-M129 HydrophobicContact CD1-SD 4.03Å; F126-M129 HydrophobicContact CE1-SD 4.19Å; F126-M129 PolarHBondContact O-N 3.3Å; Q127-M129 VanDerWaalsContact C-N 3.32Å; M129-R131 VanDerWaalsContact C-N 3.26Å; M129-R131 PolarHBondContact O-N 3.16Å; M129-A132 PolarHBondContact O-N 3.15Å; M129-A132 VanDerWaalsContact O-N 3.08Å; M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 2.74Å; M129-S133 PolarHBondContact O-OG 2.85Å; M129-V143 HydrophobicContact CB-CG1 4.21Å; M129-V143 HydrophobicContact CB-CG2 4.12Å |
| 130 | L | 76.8 | Confident | 76.3 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 24% | 0.236 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -54.6 | -43.8 | 176.7 | -77.9 | 171.7 | 0 | 0 | 0 | 112 | F126 Q127 S133 E134 V143 L144 | F126-L130 WeakPolarHBondContact O-CG 3.45Å; F126-L130 PolarHBondContact O-N 3.47Å; Q127-L130 PolarHBondContact O-N 3.42Å; L130-S133 PolarHBondContact O-N 3.34Å; L130-E134 PolarHBondContact O-N 2.78Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; L130-V143 HydrophobicContact CD2-CB 3.67Å; L130-V143 HydrophobicContact CD2-CG1 3.52Å; L130-V143 HydrophobicContact CD2-CG2 4.46Å; L130-V143 HydrophobicContact CG-CB 4.22Å; L130-V143 HydrophobicContact CG-CG1 3.52Å; L130-L144 HydrophobicContact CD1-CD2 4.42Å; L130-L144 HydrophobicContact CD2-CD2 4Å; L130-L144 HydrophobicContact CD2-CG 4.05Å |
| 131 | R | 72.8 | Confident | 76.5 | Confident | 137 Ų | 137 | 58.9 Ų | 58.9 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 176.3 | -71.8 | 176.1 | -178 | 166.6 | 1.6 | 112.5 | Q127 N128 M129 S133 E134 | Q127-R131 WeakPolarHBondContact O-CG 3.27Å; Q127-R131 PolarHBondContact O-N 3.31Å; Q127-R131 VanDerWaalsContact O-N 3.09Å; N128-R131 PolarHBondContact O-N 3.43Å; M129-R131 VanDerWaalsContact C-N 3.26Å; M129-R131 PolarHBondContact O-N 3.16Å; R131-S133 PolarHBondContact O-N 3.03Å; R131-E134 WeakPolarHBondContact O-CG 3.46Å; R131-E134 PolarHBondContact O-N 2.91Å |
| 132 | A | 66.1 | Low | 76.2 | Confident | 74 Ų | 74 | 55.6 Ų | 55.6 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -65.6 | -28.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N128 M129 | N128-A132 WeakPolarHBondContact O-CB 3.32Å; N128-A132 PolarHBondContact O-N 3.26Å; M129-A132 PolarHBondContact O-N 3.15Å; M129-A132 VanDerWaalsContact O-N 3.08Å |
| 133 | S | 71.2 | Confident | 75.9 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 1.6 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 114.7 | M129 L130 R131 G135 T136 E139 M140 | M129-S133 WeakPolarHBondContact O-CB 3.35Å; M129-S133 PolarHBondContact O-N 2.74Å; M129-S133 PolarHBondContact O-OG 2.85Å; L130-S133 PolarHBondContact O-N 3.34Å; R131-S133 PolarHBondContact O-N 3.03Å; S133-G135 PolarHBondContact O-N 2.91Å; S133-T136 PolarHBondContact O-N 3.04Å; S133-T136 VanDerWaalsContact O-O 3.09Å; S133-E139 WeakPolarHBondContact OG-CB 3.49Å; S133-M140 WeakPolarHBondContact O-CG 3.45Å |
| 134 | E | 67 | Low | 75.8 | Confident | 143 Ų | 143 | 56.9 Ų | 56.9 | 67% | 0.668 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -16.5 | -179.7 | -74.6 | 175.1 | -169.2 | 0 | 0 | 113.4 | L130 R131 | L130-E134 PolarHBondContact O-N 2.78Å; R131-E134 WeakPolarHBondContact O-CG 3.46Å; R131-E134 PolarHBondContact O-N 2.91Å |
| 135 | G | 70.1 | Confident | 75.9 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 76% | 0.763 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -19.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S133 | S133-G135 PolarHBondContact O-N 2.91Š|
| 136 | T | 71.7 | Confident | 76 | Confident | 17 Ų | 17 | 54.6 Ų | 54.6 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | trans | -141.3 | 138.2 | -177.3 | 77.3 | 0 | 0 | 0 | 0 | 113.1 | L91 T95 S133 A138 E139 M140 | L91-T136 HydrophobicContact CD2-CG2 4.3Å; T95-T136 HydrophobicContact CG2-CG2 3.52Å; S133-T136 PolarHBondContact O-N 3.04Å; S133-T136 VanDerWaalsContact O-O 3.09Å; T136-A138 VanDerWaalsContact C-N 3.33Å; T136-E139 WeakPolarHBondContact OG1-CB 3.48Å; T136-E139 WeakPolarHBondContact OG1-CG 3.09Å; T136-E139 PolarHBondContact OG1-N 3.01Å; T136-E139 VanDerWaalsContact OG1-N 3.14Å; T136-E139 PolarHBondContact OG1-OE2 3.02Å; T136-M140 WeakPolarHBondContact O-CG 3.16Å; T136-M140 PolarHBondContact O-N 3.09Å | ||
| 137 | T | 78.6 | Confident | 76.1 | Confident | 85 Ų | 85 | 58.2 Ų | 58.2 | 52% | 0.521 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.7 | -34.6 | 178.2 | -63.8 | 0 | 0 | 0 | 0 | 110.8 | E94 N141 | E94-T137 WeakPolarHBondContact OE2-CA 3.26Å; E94-T137 PolarHBondContact OE2-N 3.29Å; T137-N141 WeakPolarHBondContact O-CB 3.23Å; T137-N141 PolarHBondContact O-N 3.09Å; T137-N141 PolarHBondContact O-ND2 2.92Å; T137-N141 VanDerWaalsContact O-ND2 3.13Å |
| 138 | A | 74.6 | Confident | 76.4 | Confident | 3 Ų | 3 | 57 Ų | 57 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L90 L91 E94 T136 N141 I142 | L90-A138 HydrophobicContact CB-CB 4.1Å; L91-A138 HydrophobicContact CD2-CB 3.58Å; L91-A138 HydrophobicContact CG-CB 3.73Å; E94-A138 VanDerWaalsContact CD-N 3.31Å; E94-A138 WeakPolarHBondContact OE1-CB 3.37Å; E94-A138 PolarHBondContact OE1-N 3.29Å; E94-A138 VanDerWaalsContact OE1-N 3.09Å; E94-A138 WeakPolarHBondContact OE2-CB 3.08Å; E94-A138 PolarHBondContact OE2-N 3.47Å; T136-A138 VanDerWaalsContact C-N 3.33Å; A138-N141 PolarHBondContact O-N 2.99Å; A138-I142 WeakPolarHBondContact O-CD1 3.37Å; A138-I142 VanDerWaalsContact O-CG1 3.25Å; A138-I142 WeakPolarHBondContact O-CG1 3.19Å; A138-I142 PolarHBondContact O-N 2.96Å |
| 139 | E | 73 | Confident | 76.7 | Confident | 17 Ų | 17 | 53.9 Ų | 53.9 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -47.5 | 175.8 | -74 | 165.4 | 155.2 | 0 | 0 | 111.6 | I67 L91 S133 T136 N141 I142 V143 | I67-E139 HydrophobicContact CD1-CG 3.91Å; I67-E139 WeakPolarHBondContact CD1-OE1 3.14Å; I67-E139 HydrophobicContact CG1-CG 3.56Å; I67-E139 VanDerWaalsContact CG1-OE1 3.28Å; I67-E139 WeakPolarHBondContact CG1-OE1 3.19Å; L91-E139 HydrophobicContact CD2-CG 3.95Å; S133-E139 WeakPolarHBondContact OG-CB 3.49Å; T136-E139 WeakPolarHBondContact OG1-CB 3.48Å; T136-E139 WeakPolarHBondContact OG1-CG 3.09Å; T136-E139 PolarHBondContact OG1-N 3.01Å; T136-E139 VanDerWaalsContact OG1-N 3.14Å; T136-E139 PolarHBondContact OG1-OE2 3.02Å; E139-N141 PolarHBondContact O-N 3.36Å; E139-I142 WeakPolarHBondContact O-CB 3.42Å; E139-I142 PolarHBondContact O-N 3.03Å; E139-V143 WeakPolarHBondContact O-CG2 3.43Å; E139-V143 PolarHBondContact O-N 3Å |
| 140 | M | 77.9 | Confident | 77.2 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 34% | 0.34 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.2 | -45.6 | 177.1 | -70.6 | 179.1 | 70.9 | 0 | 0 | 111.1 | S133 T136 I142 V143 L144 | S133-M140 WeakPolarHBondContact O-CG 3.45Å; T136-M140 WeakPolarHBondContact O-CG 3.16Å; T136-M140 PolarHBondContact O-N 3.09Å; M140-I142 VanDerWaalsContact C-N 3.35Å; M140-I142 PolarHBondContact O-N 3.43Å; M140-V143 PolarHBondContact O-N 2.87Å; M140-L144 WeakPolarHBondContact O-CB 3.34Å; M140-L144 VanDerWaalsContact O-CG 3.26Å; M140-L144 WeakPolarHBondContact O-CG 3.24Å; M140-L144 PolarHBondContact O-N 3.43Å |
| 141 | N | 82 | Confident | 77.7 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 39% | 0.39 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 178.2 | -76.9 | -30.9 | 0 | 0 | 0 | 112.9 | T137 A138 E139 Q145 | T137-N141 WeakPolarHBondContact O-CB 3.23Å; T137-N141 PolarHBondContact O-N 3.09Å; T137-N141 PolarHBondContact O-ND2 2.92Å; T137-N141 VanDerWaalsContact O-ND2 3.13Å; A138-N141 PolarHBondContact O-N 2.99Å; E139-N141 PolarHBondContact O-N 3.36Å; N141-Q145 VanDerWaalsContact O-CB 3.31Å; N141-Q145 WeakPolarHBondContact O-CB 3.5Å; N141-Q145 WeakPolarHBondContact O-CG 3.36Å; N141-Q145 PolarHBondContact O-N 2.74Å |
| 142 | I | 78.2 | Confident | 78.4 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -45 | 175.2 | -64.9 | 157.7 | 0 | 0 | 0 | 110.2 | I67 L70 L71 W83 H87 A138 E139 M140 Q145 A146 | I67-I142 HydrophobicContact CG2-CD1 4.34Å; L70-I142 HydrophobicContact CD1-CG2 4.35Å; L70-I142 HydrophobicContact CD2-CB 3.69Å; L70-I142 HydrophobicContact CD2-CD1 4.32Å; L70-I142 HydrophobicContact CD2-CG2 3.47Å; L70-I142 VanDerWaalsContact CD2-CG2 3.47Å; L70-I142 HydrophobicContact CG-CB 4.32Å; L70-I142 HydrophobicContact CG-CG2 3.54Å; L71-I142 HydrophobicContact CD2-CD1 3.83Å; L71-I142 HydrophobicContact CD2-CG1 4.18Å; L71-I142 HydrophobicContact CD2-CG2 4.01Å; W83-I142 HydrophobicContact CH2-CG2 4.26Å; H87-I142 HydrophobicContact CB-CD1 4.02Å; H87-I142 WeakPolarHBondContact CD2-CG1 3.42Å; A138-I142 WeakPolarHBondContact O-CD1 3.37Å; A138-I142 VanDerWaalsContact O-CG1 3.25Å; A138-I142 WeakPolarHBondContact O-CG1 3.19Å; A138-I142 PolarHBondContact O-N 2.96Å; E139-I142 WeakPolarHBondContact O-CB 3.42Å; E139-I142 PolarHBondContact O-N 3.03Å; M140-I142 VanDerWaalsContact C-N 3.35Å; M140-I142 PolarHBondContact O-N 3.43Å; I142-Q145 PolarHBondContact O-N 2.97Å; I142-A146 PolarHBondContact O-N 3.27Å |
| 143 | V | 78.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 178.7 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | L70 F126 M129 L130 E139 M140 Q145 A146 | L70-V143 HydrophobicContact CD1-CB 4.34Å; L70-V143 HydrophobicContact CD1-CG2 3.5Å; L70-V143 HydrophobicContact CD2-CG2 3.81Å; L70-V143 HydrophobicContact CG-CG2 4.31Å; F126-V143 HydrophobicContact CD1-CG1 3.99Å; M129-V143 HydrophobicContact CB-CG1 4.21Å; M129-V143 HydrophobicContact CB-CG2 4.12Å; L130-V143 HydrophobicContact CD1-CG1 4.47Å; L130-V143 HydrophobicContact CD2-CB 3.67Å; L130-V143 HydrophobicContact CD2-CG1 3.52Å; L130-V143 HydrophobicContact CD2-CG2 4.46Å; L130-V143 HydrophobicContact CG-CB 4.22Å; L130-V143 HydrophobicContact CG-CG1 3.52Å; E139-V143 WeakPolarHBondContact O-CG2 3.43Å; E139-V143 PolarHBondContact O-N 3Å; M140-V143 PolarHBondContact O-N 2.87Å; V143-Q145 PolarHBondContact O-N 3.09Å; V143-A146 WeakPolarHBondContact O-CB 3.41Å; V143-A146 PolarHBondContact O-N 3.37Å; V143-A146 VanDerWaalsContact O-N 3.08Å |
| 144 | L | 83.7 | Confident | 80.5 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | 177.4 | -69.6 | 172.7 | 0 | 0 | 0 | 111.8 | L130 M140 A146 E147 | L130-L144 HydrophobicContact CD1-CD2 4.42Å; L130-L144 HydrophobicContact CD2-CD2 4Å; L130-L144 HydrophobicContact CD2-CG 4.05Å; M140-L144 WeakPolarHBondContact O-CB 3.34Å; M140-L144 VanDerWaalsContact O-CG 3.26Å; M140-L144 WeakPolarHBondContact O-CG 3.24Å; M140-L144 PolarHBondContact O-N 3.43Å; L144-A146 PolarHBondContact O-N 3.1Å; L144-E147 VanDerWaalsContact O-CB 3.26Å; L144-E147 WeakPolarHBondContact O-CB 3.22Å; L144-E147 PolarHBondContact O-N 3.1Å; L144-E147 VanDerWaalsContact O-N 3.09Å |
| 145 | Q | 81.8 | Confident | 81.7 | Confident | 112 Ų | 112 | 41.4 Ų | 41.4 | 52% | 0.523 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.4 | 174.1 | -75.2 | 172.2 | 34.8 | 0 | 0 | 113.9 | N141 I142 V143 E147 | N141-Q145 VanDerWaalsContact O-CB 3.31Å; N141-Q145 WeakPolarHBondContact O-CB 3.5Å; N141-Q145 WeakPolarHBondContact O-CG 3.36Å; N141-Q145 PolarHBondContact O-N 2.74Å; I142-Q145 PolarHBondContact O-N 2.97Å; V143-Q145 PolarHBondContact O-N 3.09Å; Q145-E147 VanDerWaalsContact C-N 3.25Å |
| 146 | A | 82.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -17.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | C74 F126 I142 V143 L144 F148 G149 Y195 F198 | C74-A146 HydrophobicContact CB-CB 3.87Å; C74-A146 WeakPolarHBondContact SG-CB 3.44Å; F126-A146 HydrophobicContact CD1-CB 4.27Å; F126-A146 HydrophobicContact CE1-CB 3.62Å; F126-A146 HydrophobicContact CZ-CB 4.08Å; I142-A146 PolarHBondContact O-N 3.27Å; V143-A146 WeakPolarHBondContact O-CB 3.41Å; V143-A146 PolarHBondContact O-N 3.37Å; V143-A146 VanDerWaalsContact O-N 3.08Å; L144-A146 PolarHBondContact O-N 3.1Å; A146-F148 PolarHBondContact O-N 3.32Å; A146-G149 WeakPolarHBondContact O-CA 3.36Å; A146-G149 PolarHBondContact O-N 3.44Å; A146-Y195 HydrophobicContact CB-CE1 4.4Å; A146-F198 HydrophobicContact CB-CZ 4.07Å; A146-F198 VanDerWaalsContact O-CE2 3.23Å; A146-F198 WeakPolarHBondContact O-CE2 3.1Å; A146-F198 WeakPolarHBondContact O-CZ 3.45Å |
| 147 | E | 84 | Confident | 83.8 | Confident | 76 Ų | 76 | 37.6 Ų | 37.6 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 134.8 | 175.5 | -161.6 | -179.5 | -162.5 | 0 | 0 | 110 | L144 Q145 G149 H194 Y195 | L144-E147 VanDerWaalsContact O-CB 3.26Å; L144-E147 WeakPolarHBondContact O-CB 3.22Å; L144-E147 PolarHBondContact O-N 3.1Å; L144-E147 VanDerWaalsContact O-N 3.09Å; Q145-E147 VanDerWaalsContact C-N 3.25Å; E147-G149 PolarHBondContact O-N 3.09Å; E147-H194 HydrophobicContact CG-CB 3.75Å; E147-H194 IonicContact OE1-CE1 3.26Å; E147-H194 IonicContact OE1-CG 3.27Å; E147-H194 IonicContact OE1-ND1 2.62Å; E147-H194 PolarHBondContact OE1-ND1 2.73Å; E147-Y195 HydrophobicContact CB-CE1 4.31Å |
| 148 | F | 85.2 | Confident | 84.6 | Confident | 72 Ų | 72 | 36 Ų | 36 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 12.8 | -171.7 | -47.7 | -71 | 0 | 0 | 0 | 115.4 | A146 G150 L151 T155 V190 H194 | A146-F148 PolarHBondContact O-N 3.32Å; F148-G150 PolarHBondContact O-N 3.24Å; F148-L151 HydrophobicContact CD1-CD1 4.42Å; F148-L151 VanDerWaalsContact O-CB 3.3Å; F148-L151 WeakPolarHBondContact O-CB 3.43Å; F148-L151 PolarHBondContact O-N 2.95Å; F148-T155 HydrophobicContact CB-CG2 3.85Å; F148-T155 HydrophobicContact CG-CG2 4.28Å; F148-V190 HydrophobicContact CD1-CG1 3.87Å; F148-V190 HydrophobicContact CE1-CG1 3.63Å; F148-H194 WeakPolarHBondContact CA-O 3.1Å; F148-H194 HydrophobicContact CD1-CB 4.33Å; F148-H194 HydrophobicContact CE1-CB 3.87Å; F148-H194 AromaticContact CE1-CD2 3.74Å; F148-H194 AromaticContact CE1-CG 3.8Å; F148-H194 HydrophobicContact CZ-CB 4.12Å; F148-H194 AromaticContact CZ-CD2 3.94Å; F148-H194 AromaticContact CZ-CG 3.81Å; F148-H194 AromaticContact CZ-ND1 3.94Å; F148-H194 PolarHBondContact N-O 2.64Å |
| 149 | G | 83 | Confident | 85.6 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 12% | 0.124 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 132.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A146 E147 L151 G197 | A146-G149 WeakPolarHBondContact O-CA 3.36Å; A146-G149 PolarHBondContact O-N 3.44Å; E147-G149 PolarHBondContact O-N 3.09Å; G149-L151 PolarHBondContact O-N 3.4Å; G149-G197 WeakPolarHBondContact O-CA 2.98Å |
| 150 | G | 82.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 38.7 Ų | 38.7 | 36% | 0.361 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | -0 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R76 F148 | R76-G150 VanDerWaalsContact NH1-CA 3.31Å; F148-G150 PolarHBondContact O-N 3.24Å |
| 151 | L | 88.4 | Confident | 87.5 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | trans | -107.2 | 18.4 | 178.9 | -57.6 | 173.8 | 0 | 0 | 0 | 113 | F148 G149 A153 Y154 T155 V190 Y196 | F148-L151 HydrophobicContact CD1-CD1 4.42Å; F148-L151 VanDerWaalsContact O-CB 3.3Å; F148-L151 WeakPolarHBondContact O-CB 3.43Å; F148-L151 PolarHBondContact O-N 2.95Å; G149-L151 PolarHBondContact O-N 3.4Å; L151-A153 VanDerWaalsContact C-N 3.26Å; L151-A153 PolarHBondContact O-N 2.68Å; L151-A153 VanDerWaalsContact O-N 3.09Å; L151-Y154 HydrophobicContact CB-CD1 4.32Å; L151-Y154 WeakPolarHBondContact O-CA 3.38Å; L151-Y154 WeakPolarHBondContact O-CB 3.48Å; L151-Y154 PolarHBondContact O-N 3.23Å; L151-T155 HydrophobicContact CB-CG2 4.36Å; L151-T155 PolarHBondContact O-N 3.4Å; L151-T155 PolarHBondContact O-OG1 3.06Å; L151-V190 HydrophobicContact CD1-CG1 4.35Å; L151-V190 HydrophobicContact CD1-CG2 3.52Å; L151-Y196 HydrophobicContact CD2-CD1 4.13Å | ||
| 152 | T | 86.7 | Confident | 88.1 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 41% | 0.405 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -49.3 | -42.3 | -174.7 | -52 | 0 | 0 | 0 | 0 | 114 | T155 L156 Y233 | T152-T155 WeakPolarHBondContact CA-OG1 3.42Å; T152-T155 PolarHBondContact O-OG1 3.41Å; T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.07Å; T152-Y233 HydrophobicContact CG2-CE2 4.43Å |
| 153 | A | 89.5 | Confident | 88.8 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.2 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L151 V157 F210 F214 | L151-A153 VanDerWaalsContact C-N 3.26Å; L151-A153 PolarHBondContact O-N 2.68Å; L151-A153 VanDerWaalsContact O-N 3.09Å; A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.44Å; A153-V157 PolarHBondContact O-N 3.34Å; A153-F210 HydrophobicContact CB-CE2 3.78Å; A153-F210 HydrophobicContact CB-CZ 3.85Å; A153-F214 HydrophobicContact CB-CD2 3.48Å; A153-F214 VanDerWaalsContact CB-CD2 3.48Å; A153-F214 HydrophobicContact CB-CE2 3.69Å; A153-F214 HydrophobicContact CB-CG 4.1Å; A153-F214 HydrophobicContact CB-CZ 4.46Å |
| 154 | Y | 92.2 | Very high | 89.6 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 9% | 0.09 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.8 | -49.7 | 175.4 | 164 | -95.1 | 0 | 0 | 0 | 110.9 | L151 L156 V157 K158 L183 L186 T187 V190 | L151-Y154 HydrophobicContact CB-CD1 4.32Å; L151-Y154 WeakPolarHBondContact O-CA 3.38Å; L151-Y154 WeakPolarHBondContact O-CB 3.48Å; L151-Y154 PolarHBondContact O-N 3.23Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; Y154-L156 PolarHBondContact O-N 3.2Å; Y154-V157 PolarHBondContact O-N 2.9Å; Y154-V157 VanDerWaalsContact O-N 3.16Å; Y154-K158 HydrophobicContact CD2-CG 4.37Å; Y154-K158 HydrophobicContact CE1-CG 4.04Å; Y154-K158 HydrophobicContact CE2-CD 4.26Å; Y154-K158 HydrophobicContact CE2-CG 3.85Å; Y154-K158 PolarHBondContact O-N 2.86Å; Y154-K158 WeakPolarHBondContact OH-CE 3.38Å; Y154-L183 HydrophobicContact CD2-CD2 4.26Å; Y154-L186 HydrophobicContact CD2-CB 3.84Å; Y154-L186 HydrophobicContact CD2-CD1 4.3Å; Y154-L186 HydrophobicContact CE2-CB 4.01Å; Y154-T187 WeakPolarHBondContact CE2-OG1 3.41Å; Y154-T187 WeakPolarHBondContact OH-CA 3.28Å; Y154-T187 PolarHBondContact OH-OG1 3.09Å; Y154-T187 VanDerWaalsContact OH-OG1 3.12Å; Y154-V190 HydrophobicContact CD1-CG2 4.3Å; Y154-V190 HydrophobicContact CE1-CB 4.21Å; Y154-V190 HydrophobicContact CE1-CG1 4Å; Y154-V190 HydrophobicContact CE1-CG2 4.01Å |
| 155 | T | 92.1 | Very high | 90 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 22% | 0.215 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | F148 L151 T152 V157 K158 D159 | F148-T155 HydrophobicContact CB-CG2 3.85Å; F148-T155 HydrophobicContact CG-CG2 4.28Å; L151-T155 HydrophobicContact CB-CG2 4.36Å; L151-T155 PolarHBondContact O-N 3.4Å; L151-T155 PolarHBondContact O-OG1 3.06Å; T152-T155 WeakPolarHBondContact CA-OG1 3.42Å; T152-T155 PolarHBondContact O-OG1 3.41Å; T155-V157 VanDerWaalsContact C-N 3.3Å; T155-V157 PolarHBondContact O-N 3.06Å; T155-K158 PolarHBondContact O-N 3.07Å; T155-K158 VanDerWaalsContact O-N 3.11Å; T155-D159 WeakPolarHBondContact O-CB 3.46Å; T155-D159 PolarHBondContact O-N 2.6Å |
| 156 | L | 92.1 | Very high | 90.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 176.9 | -168.4 | 70.2 | 0 | 0 | 0 | 112.6 | T152 Y154 A160 F214 A217 K218 F221 M230 | T152-L156 WeakPolarHBondContact O-CB 3.26Å; T152-L156 PolarHBondContact O-N 3.07Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; Y154-L156 PolarHBondContact O-N 3.2Å; L156-A160 VanDerWaalsContact O-CB 3.26Å; L156-A160 WeakPolarHBondContact O-CB 3.15Å; L156-A160 PolarHBondContact O-N 2.93Å; L156-F214 HydrophobicContact CB-CE2 4.39Å; L156-F214 HydrophobicContact CD2-CD2 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.44Å; L156-F214 VanDerWaalsContact CD2-CE2 3.44Å; L156-F214 HydrophobicContact CD2-CZ 4.21Å; L156-A217 HydrophobicContact CG-CB 4.29Å; L156-K218 HydrophobicContact CD2-CB 3.88Å; L156-F221 HydrophobicContact CD1-CD2 3.42Å; L156-F221 VanDerWaalsContact CD1-CD2 3.42Å; L156-F221 HydrophobicContact CD1-CE2 3.69Å; L156-F221 HydrophobicContact CD1-CG 4.27Å; L156-F221 HydrophobicContact CG-CD2 4.08Å; L156-F221 HydrophobicContact CG-CE2 4.3Å; L156-M230 HydrophobicContact CD1-CG 4.42Å; L156-M230 HydrophobicContact CD1-SD 4.09Å; L156-M230 HydrophobicContact CD2-SD 4.38Å |
| 157 | V | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.7 | -44.1 | 175.8 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | A153 Y154 T155 A160 Q161 L183 F210 M213 F214 A217 | A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.44Å; A153-V157 PolarHBondContact O-N 3.34Å; Y154-V157 PolarHBondContact O-N 2.9Å; Y154-V157 VanDerWaalsContact O-N 3.16Å; T155-V157 VanDerWaalsContact C-N 3.3Å; T155-V157 PolarHBondContact O-N 3.06Å; V157-A160 PolarHBondContact O-N 3.14Å; V157-Q161 WeakPolarHBondContact O-CG 3.06Å; V157-Q161 PolarHBondContact O-N 3.42Å; V157-L183 HydrophobicContact CB-CD2 4.46Å; V157-L183 HydrophobicContact CG1-CD1 3.9Å; V157-L183 HydrophobicContact CG1-CD2 4.23Å; V157-F210 HydrophobicContact CG2-CD2 4.31Å; V157-F210 HydrophobicContact CG2-CE2 4.27Å; V157-M213 HydrophobicContact CG2-CB 4.36Å; V157-F214 HydrophobicContact CG2-CB 4.41Å; V157-A217 HydrophobicContact CB-CB 4.39Å; V157-A217 HydrophobicContact CG2-CB 3.89Å |
| 158 | K | 95.4 | Very high | 91.8 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 23% | 0.226 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.8 | -42.4 | 177.8 | -67.3 | -54.3 | -172.2 | 176 | 0 | 112.5 | Y154 T155 A160 Q161 A162 T187 | Y154-K158 HydrophobicContact CD2-CG 4.37Å; Y154-K158 HydrophobicContact CE1-CG 4.04Å; Y154-K158 HydrophobicContact CE2-CD 4.26Å; Y154-K158 HydrophobicContact CE2-CG 3.85Å; Y154-K158 PolarHBondContact O-N 2.86Å; Y154-K158 WeakPolarHBondContact OH-CE 3.38Å; T155-K158 PolarHBondContact O-N 3.07Å; T155-K158 VanDerWaalsContact O-N 3.11Å; K158-A160 VanDerWaalsContact C-N 3.32Å; K158-A160 PolarHBondContact O-N 3.38Å; K158-Q161 WeakPolarHBondContact O-CB 3.36Å; K158-Q161 PolarHBondContact O-N 3.43Å; K158-A162 PolarHBondContact O-N 2.93Å; K158-T187 WeakPolarHBondContact CE-OG1 3.08Å; K158-T187 PolarHBondContact NZ-OG1 2.88Å |
| 159 | D | 94.3 | Very high | 92.3 | Very high | 76 Ų | 76 | 36.6 Ų | 36.6 | 41% | 0.406 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64 | -41.5 | 176.1 | -64.3 | -23.7 | 0 | 0 | 0 | 110 | T155 Q161 A162 H163 F221 | T155-D159 WeakPolarHBondContact O-CB 3.46Å; T155-D159 PolarHBondContact O-N 2.6Å; D159-Q161 VanDerWaalsContact C-N 3.34Å; D159-Q161 PolarHBondContact O-N 3.46Å; D159-A162 PolarHBondContact O-N 3.18Å; D159-H163 WeakPolarHBondContact O-CB 3.49Å; D159-H163 PolarHBondContact O-N 3.41Å; D159-H163 PolarHBondContact O-ND1 2.89Å; D159-F221 HydrophobicContact CB-CE2 4.04Å; D159-F221 HydrophobicContact CB-CZ 3.72Å |
| 160 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L156 V157 K158 A162 H163 F164 W169 A217 F221 | L156-A160 VanDerWaalsContact O-CB 3.26Å; L156-A160 WeakPolarHBondContact O-CB 3.15Å; L156-A160 PolarHBondContact O-N 2.93Å; V157-A160 PolarHBondContact O-N 3.14Å; K158-A160 VanDerWaalsContact C-N 3.32Å; K158-A160 PolarHBondContact O-N 3.38Å; A160-A162 VanDerWaalsContact C-N 3.29Å; A160-A162 PolarHBondContact O-N 3.35Å; A160-H163 PolarHBondContact O-N 3.28Å; A160-F164 HydrophobicContact CB-CD2 4.34Å; A160-F164 WeakPolarHBondContact O-CB 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.33Å; A160-F164 PolarHBondContact O-N 3.43Å; A160-W169 HydrophobicContact CB-CH2 3.74Å; A160-W169 HydrophobicContact CB-CZ2 3.74Å; A160-A217 HydrophobicContact CB-CB 3.56Å; A160-F221 HydrophobicContact CB-CD2 4.25Å; A160-F221 HydrophobicContact CB-CE2 3.67Å; A160-F221 HydrophobicContact CB-CZ 4.42Å |
| 161 | Q | 96.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.8 | -74.8 | 174.6 | -19 | 0 | 0 | 111.9 | V157 K158 D159 W169 | V157-Q161 WeakPolarHBondContact O-CG 3.06Å; V157-Q161 PolarHBondContact O-N 3.42Å; K158-Q161 WeakPolarHBondContact O-CB 3.36Å; K158-Q161 PolarHBondContact O-N 3.43Å; D159-Q161 VanDerWaalsContact C-N 3.34Å; D159-Q161 PolarHBondContact O-N 3.46Å; Q161-W169 HydrophobicContact CG-CD2 3.67Å; Q161-W169 HydrophobicContact CG-CE3 3.92Å; Q161-W169 HydrophobicContact CG-CG 4.15Å; Q161-W169 HydrophobicContact CG-CH2 4.3Å; Q161-W169 HydrophobicContact CG-CZ2 4.08Å; Q161-W169 HydrophobicContact CG-CZ3 4.23Å |
| 162 | A | 94.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -73.7 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K158 D159 A160 | K158-A162 PolarHBondContact O-N 2.93Å; D159-A162 PolarHBondContact O-N 3.18Å; A160-A162 VanDerWaalsContact C-N 3.29Å; A160-A162 PolarHBondContact O-N 3.35Å |
| 163 | H | 92.4 | Very high | 94.4 | Very high | 107 Ų | 107 | 41.8 Ų | 41.8 | 50% | 0.495 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -81.5 | -27.5 | -176.9 | -73.1 | 88 | 0 | 0 | 0 | 113.6 | D159 A160 P165 F221 Q225 | D159-H163 WeakPolarHBondContact O-CB 3.49Å; D159-H163 PolarHBondContact O-N 3.41Å; D159-H163 PolarHBondContact O-ND1 2.89Å; A160-H163 PolarHBondContact O-N 3.28Å; H163-P165 WeakPolarHBondContact O-CD 3.44Å; H163-F221 HydrophobicContact CB-CE1 4.45Å; H163-F221 HydrophobicContact CB-CZ 4.41Å; H163-F221 AromaticContact ND1-CZ 3.83Å; H163-Q225 PolarHBondContact CD2-NE2 3.17Å; H163-Q225 VanDerWaalsContact CD2-NE2 3.31Å |
| 164 | F | 94.9 | Very high | 94.7 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -122.1 | 62.5 | -178.9 | -54.6 | -82.5 | 0 | 0 | 0 | 110.7 | A160 S166 F167 W169 L220 F221 F224 Q225 F252 H256 | A160-F164 HydrophobicContact CB-CD2 4.34Å; A160-F164 WeakPolarHBondContact O-CB 3.31Å; A160-F164 WeakPolarHBondContact O-CD2 3.33Å; A160-F164 PolarHBondContact O-N 3.43Å; F164-S166 PolarHBondContact O-N 3.05Å; F164-F167 HydrophobicContact CB-CB 4.07Å; F164-F167 WeakPolarHBondContact O-CB 3.44Å; F164-F167 PolarHBondContact O-N 2.98Å; F164-W169 PolarHBondContact O-NE1 3.39Å; F164-L220 HydrophobicContact CB-CD1 4.25Å; F164-L220 HydrophobicContact CD1-CD2 4.49Å; F164-L220 HydrophobicContact CD2-CB 3.84Å; F164-L220 HydrophobicContact CD2-CD1 4.07Å; F164-L220 HydrophobicContact CD2-CG 4.44Å; F164-L220 HydrophobicContact CE2-CB 3.65Å; F164-L220 HydrophobicContact CG-CB 4.37Å; F164-L220 HydrophobicContact CG-CD1 4.22Å; F164-L220 HydrophobicContact CG-CD2 4.45Å; F164-L220 HydrophobicContact CZ-CB 4.01Å; F164-F221 HydrophobicContact CE2-CD1 4.25Å; F164-F221 HydrophobicContact CE2-CE1 4.24Å; F164-F221 HydrophobicContact CE2-CG 4.44Å; F164-F221 HydrophobicContact CE2-CZ 4.44Å; F164-F224 HydrophobicContact CE1-CB 3.77Å; F164-F224 HydrophobicContact CZ-CB 4.13Å; F164-Q225 HydrophobicContact CE1-CG 4.48Å; F164-Q225 HydrophobicContact CZ-CG 3.8Å; F164-F252 HydrophobicContact CB-CZ 4.4Å; F164-F252 HydrophobicContact CD1-CE1 4.09Å; F164-F252 HydrophobicContact CD1-CZ 4.05Å; F164-H256 AromaticContact CE1-NE2 3.97Å | ||
| 165 | P | 93.3 | Very high | 95 | Very high | 101 Ų | 101 | 49 Ų | 49 | 66% | 0.656 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -21.7 | -176.6 | 28 | -36 | 0 | 0 | 0 | 113.2 | H163 F167 | H163-P165 WeakPolarHBondContact O-CD 3.44Å; P165-F167 VanDerWaalsContact C-N 3.33Å |
| 166 | S | 92.8 | Very high | 95.2 | Very high | 25 Ų | 25 | 48.2 Ų | 48.2 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.3 | 175.5 | 48.6 | 0 | 0 | 0 | 0 | 114 | F164 F252 Q259 | F164-S166 PolarHBondContact O-N 3.05Å; S166-F252 WeakPolarHBondContact OG-CE2 3.32Å; S166-Q259 VanDerWaalsContact OG-CD 3.29Å; S166-Q259 PolarHBondContact OG-NE2 3.39Å; S166-Q259 PolarHBondContact OG-OE1 3.3Å |
| 167 | F | 96.3 | Very high | 95.4 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -69.7 | 149.4 | 174.2 | -179.1 | -92.3 | 0 | 0 | 0 | 110 | F164 P165 W169 M172 V216 L220 L248 L249 F252 | F164-F167 HydrophobicContact CB-CB 4.07Å; F164-F167 WeakPolarHBondContact O-CB 3.44Å; F164-F167 PolarHBondContact O-N 2.98Å; P165-F167 VanDerWaalsContact C-N 3.33Å; F167-W169 AromaticContact CD1-CD2 3.62Å; F167-W169 HydrophobicContact CD1-CD2 3.62Å; F167-W169 AromaticContact CD1-CE2 3.56Å; F167-W169 HydrophobicContact CD1-CE3 4Å; F167-W169 AromaticContact CD1-CG 4Å; F167-W169 HydrophobicContact CD1-CG 4Å; F167-W169 HydrophobicContact CD1-CH2 4.28Å; F167-W169 AromaticContact CD1-CZ2 3.92Å; F167-W169 HydrophobicContact CD1-CZ2 3.92Å; F167-W169 HydrophobicContact CD1-CZ3 4.32Å; F167-W169 AromaticContact CD1-NE1 3.88Å; F167-W169 HydrophobicContact CE1-CD2 4.27Å; F167-W169 HydrophobicContact CE1-CE3 4.2Å; F167-W169 HydrophobicContact CE1-CZ3 4.36Å; F167-W169 HydrophobicContact CG-CZ2 4.45Å; F167-W169 VanDerWaalsContact O-CD1 3.25Å; F167-W169 PolarHBondContact O-N 3.25Å; F167-M172 HydrophobicContact CE1-CG 3.86Å; F167-M172 HydrophobicContact CZ-CG 4.41Å; F167-V216 HydrophobicContact CD1-CG1 4.29Å; F167-V216 HydrophobicContact CE1-CG1 3.44Å; F167-V216 VanDerWaalsContact CE1-CG1 3.44Å; F167-V216 HydrophobicContact CE2-CG1 4.09Å; F167-V216 HydrophobicContact CZ-CG1 3.32Å; F167-L220 HydrophobicContact CB-CD1 4.39Å; F167-L220 HydrophobicContact CD1-CD1 4.23Å; F167-L220 HydrophobicContact CD2-CD1 4.08Å; F167-L220 HydrophobicContact CD2-CD2 3.89Å; F167-L220 HydrophobicContact CE2-CD1 4.49Å; F167-L220 HydrophobicContact CE2-CD2 4.3Å; F167-L220 HydrophobicContact CG-CD1 3.95Å; F167-L220 HydrophobicContact CG-CD2 4.48Å; F167-L248 HydrophobicContact CE2-CB 4.34Å; F167-L248 HydrophobicContact CZ-CB 3.96Å; F167-L249 HydrophobicContact CE2-CD2 4.24Å; F167-F252 HydrophobicContact CB-CD2 4.12Å; F167-F252 HydrophobicContact CB-CE2 3.96Å; F167-F252 HydrophobicContact CB-CZ 4.26Å; F167-F252 HydrophobicContact CD2-CB 3.79Å; F167-F252 AromaticContact CD2-CD1 3.91Å; F167-F252 HydrophobicContact CD2-CD1 3.91Å; F167-F252 AromaticContact CD2-CD2 3.9Å; F167-F252 HydrophobicContact CD2-CD2 3.9Å; F167-F252 HydrophobicContact CD2-CE1 4.46Å; F167-F252 HydrophobicContact CD2-CE2 4.45Å; F167-F252 AromaticContact CD2-CG 3.6Å; F167-F252 HydrophobicContact CD2-CG 3.6Å; F167-F252 HydrophobicContact CE2-CB 4.06Å; F167-F252 HydrophobicContact CE2-CG 4.33Å |
| 168 | A | 95.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 57.7 Ų | 57.7 | 36% | 0.364 | 33% | 0.333 | S | S | . | . | trans | -74.9 | 57.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E170 A171 M172 L248 | A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 2.96Å; A168-A171 HydrophobicContact CB-CB 4.05Å; A168-A171 PolarHBondContact O-N 2.79Å; A168-M172 PolarHBondContact O-N 3.02Å; A168-L248 HydrophobicContact CB-CD2 4.24Å | ||
| 169 | W | 96.8 | Very high | 95.4 | Very high | 28 Ų | 28 | 56 Ų | 56 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -35.5 | -179.5 | -65 | 110.2 | 0 | 0 | 0 | 112.9 | A160 Q161 F164 F167 M172 A173 V216 A217 L220 | A160-W169 HydrophobicContact CB-CH2 3.74Å; A160-W169 HydrophobicContact CB-CZ2 3.74Å; Q161-W169 HydrophobicContact CG-CD2 3.67Å; Q161-W169 HydrophobicContact CG-CE3 3.92Å; Q161-W169 HydrophobicContact CG-CG 4.15Å; Q161-W169 HydrophobicContact CG-CH2 4.3Å; Q161-W169 HydrophobicContact CG-CZ2 4.08Å; Q161-W169 HydrophobicContact CG-CZ3 4.23Å; F164-W169 PolarHBondContact O-NE1 3.39Å; F167-W169 AromaticContact CD1-CD2 3.62Å; F167-W169 HydrophobicContact CD1-CD2 3.62Å; F167-W169 AromaticContact CD1-CE2 3.56Å; F167-W169 HydrophobicContact CD1-CE3 4Å; F167-W169 AromaticContact CD1-CG 4Å; F167-W169 HydrophobicContact CD1-CG 4Å; F167-W169 HydrophobicContact CD1-CH2 4.28Å; F167-W169 AromaticContact CD1-CZ2 3.92Å; F167-W169 HydrophobicContact CD1-CZ2 3.92Å; F167-W169 HydrophobicContact CD1-CZ3 4.32Å; F167-W169 AromaticContact CD1-NE1 3.88Å; F167-W169 HydrophobicContact CE1-CD2 4.27Å; F167-W169 HydrophobicContact CE1-CE3 4.2Å; F167-W169 HydrophobicContact CE1-CZ3 4.36Å; F167-W169 HydrophobicContact CG-CZ2 4.45Å; F167-W169 VanDerWaalsContact O-CD1 3.25Å; F167-W169 PolarHBondContact O-N 3.25Å; W169-M172 WeakPolarHBondContact O-CB 3.46Å; W169-M172 PolarHBondContact O-N 3.03Å; W169-A173 WeakPolarHBondContact O-CB 3.34Å; W169-A173 PolarHBondContact O-N 2.76Å; W169-V216 HydrophobicContact CH2-CG1 4.17Å; W169-V216 HydrophobicContact CZ3-CG1 4.22Å; W169-A217 HydrophobicContact CH2-CB 4.42Å; W169-L220 HydrophobicContact CH2-CD1 3.79Å; W169-L220 HydrophobicContact CZ2-CD1 3.56Å |
| 170 | E | 96.2 | Very high | 95.5 | Very high | 168 Ų | 168 | 54 Ų | 54 | 79% | 0.785 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -66.5 | -40 | 176.8 | -64.7 | -176.4 | 171.7 | 0 | 0 | 112.1 | A168 A173 T174 | A168-E170 VanDerWaalsContact C-N 3.32Å; A168-E170 PolarHBondContact O-N 2.96Å; E170-A173 PolarHBondContact O-N 2.94Å; E170-T174 PolarHBondContact O-N 3.4Å; E170-T174 PolarHBondContact O-OG1 2.91Å |
| 171 | A | 95.9 | Very high | 95.5 | Very high | 40 Ų | 40 | 57.4 Ų | 57.4 | 33% | 0.331 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64 | -43.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A168 A173 T174 I175 L248 | A168-A171 HydrophobicContact CB-CB 4.05Å; A168-A171 PolarHBondContact O-N 2.79Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 3.45Å; A171-T174 PolarHBondContact O-N 3.48Å; A171-I175 WeakPolarHBondContact O-CD1 3.11Å; A171-I175 VanDerWaalsContact O-CG1 3.23Å; A171-I175 WeakPolarHBondContact O-CG1 3.29Å; A171-I175 PolarHBondContact O-N 3.4Å; A171-L248 HydrophobicContact CB-CD2 4.45Å |
| 172 | M | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.1 | -45.8 | 172.8 | -81.5 | -70.1 | -70 | 0 | 0 | 112.2 | F167 A168 W169 T174 I175 F176 H212 M213 V216 L248 | F167-M172 HydrophobicContact CE1-CG 3.86Å; F167-M172 HydrophobicContact CZ-CG 4.41Å; A168-M172 PolarHBondContact O-N 3.02Å; W169-M172 WeakPolarHBondContact O-CB 3.46Å; W169-M172 PolarHBondContact O-N 3.03Å; M172-T174 VanDerWaalsContact C-N 3.28Å; M172-T174 PolarHBondContact O-N 3.44Å; M172-I175 PolarHBondContact O-N 3.49Å; M172-F176 HydrophobicContact CE-CD2 3.78Å; M172-F176 HydrophobicContact CE-CE2 3.91Å; M172-F176 PolarHBondContact O-N 3.14Å; M172-F176 HydrophobicContact SD-CD2 3.93Å; M172-F176 HydrophobicContact SD-CE2 3.76Å; M172-H212 HydrophobicContact CE-CB 4.31Å; M172-M213 HydrophobicContact CB-CE 3.78Å; M172-M213 HydrophobicContact CB-SD 3.88Å; M172-M213 HydrophobicContact CE-CE 4.42Å; M172-M213 HydrophobicContact CE-CG 4.19Å; M172-M213 HydrophobicContact CE-SD 3.58Å; M172-M213 VanDerWaalsContact CE-SD 3.58Å; M172-V216 HydrophobicContact CE-CB 4.2Å; M172-V216 HydrophobicContact CE-CG2 3.72Å; M172-V216 HydrophobicContact SD-CG2 4.06Å; M172-L248 HydrophobicContact CG-CD1 3.72Å; M172-L248 HydrophobicContact SD-CD1 3.36Å; M172-L248 WeakPolarHBondContact SD-CD1 3.44Å |
| 173 | A | 96.4 | Very high | 95.5 | Very high | 23 Ų | 23 | 53 Ų | 53 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W169 E170 A171 F176 P177 Q180 M213 | W169-A173 WeakPolarHBondContact O-CB 3.34Å; W169-A173 PolarHBondContact O-N 2.76Å; E170-A173 PolarHBondContact O-N 2.94Å; A171-A173 VanDerWaalsContact C-N 3.35Å; A171-A173 PolarHBondContact O-N 3.45Å; A173-F176 CarbonylContact O-C 3.46Å; A173-P177 VanDerWaalsContact O-CA 3.28Å; A173-P177 WeakPolarHBondContact O-CA 3.13Å; A173-Q180 HydrophobicContact CB-CB 4.21Å; A173-Q180 HydrophobicContact CB-CG 3.89Å; A173-M213 HydrophobicContact CB-CE 4.47Å |
| 174 | T | 96.9 | Very high | 95.7 | Very high | 114 Ų | 114 | 51.7 Ų | 51.7 | 70% | 0.699 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -71.1 | -39.5 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | E170 A171 M172 | E170-T174 PolarHBondContact O-N 3.4Å; E170-T174 PolarHBondContact O-OG1 2.91Å; A171-T174 PolarHBondContact O-N 3.48Å; M172-T174 VanDerWaalsContact C-N 3.28Å; M172-T174 PolarHBondContact O-N 3.44Å |
| 175 | I | 96.6 | Very high | 95.6 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.3 | -38.5 | 178.7 | -66.3 | 163.2 | 0 | 0 | 0 | 111.2 | A171 M172 P177 L244 L248 | A171-I175 WeakPolarHBondContact O-CD1 3.11Å; A171-I175 VanDerWaalsContact O-CG1 3.23Å; A171-I175 WeakPolarHBondContact O-CG1 3.29Å; A171-I175 PolarHBondContact O-N 3.4Å; M172-I175 PolarHBondContact O-N 3.49Å; I175-P177 VanDerWaalsContact O-CD 3.28Å; I175-P177 WeakPolarHBondContact O-CD 3.18Å; I175-L244 HydrophobicContact CG2-CD1 3.6Å; I175-L248 HydrophobicContact CD1-CD1 4.1Å |
| 176 | F | 96.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | trans | -121 | 62.2 | -175.4 | -55.3 | -69 | 0 | 0 | 0 | 112.1 | M172 A173 N178 E179 Q180 H212 M213 R241 | M172-F176 HydrophobicContact CE-CD2 3.78Å; M172-F176 HydrophobicContact CE-CE2 3.91Å; M172-F176 PolarHBondContact O-N 3.14Å; M172-F176 HydrophobicContact SD-CD2 3.93Å; M172-F176 HydrophobicContact SD-CE2 3.76Å; A173-F176 CarbonylContact O-C 3.46Å; F176-N178 VanDerWaalsContact C-N 3.28Å; F176-N178 PolarHBondContact O-N 2.92Å; F176-E179 HydrophobicContact CB-CB 4.1Å; F176-E179 HydrophobicContact CB-CG 4.01Å; F176-E179 PolarHBondContact O-N 3.09Å; F176-E179 VanDerWaalsContact O-N 3.09Å; F176-Q180 PolarHBondContact O-N 2.97Å; F176-Q180 VanDerWaalsContact O-N 3.09Å; F176-H212 HydrophobicContact CD1-CB 4.21Å; F176-H212 AromaticContact CD1-CG 3.94Å; F176-H212 AromaticContact CD1-ND1 3.71Å; F176-H212 HydrophobicContact CD2-CB 3.92Å; F176-H212 HydrophobicContact CE1-CB 4Å; F176-H212 AromaticContact CE1-CD2 3.73Å; F176-H212 AromaticContact CE1-CE1 3.78Å; F176-H212 AromaticContact CE1-CG 3.48Å; F176-H212 VanDerWaalsContact CE1-CG 3.48Å; F176-H212 AromaticContact CE1-ND1 3.5Å; F176-H212 AromaticContact CE1-NE2 3.95Å; F176-H212 HydrophobicContact CE2-CB 3.69Å; F176-H212 HydrophobicContact CG-CB 4.17Å; F176-H212 HydrophobicContact CZ-CB 3.73Å; F176-H212 AromaticContact CZ-CD2 3.64Å; F176-H212 AromaticContact CZ-CG 3.53Å; F176-M213 HydrophobicContact CB-CE 4.42Å; F176-R241 HydrophobicContact CE1-CB 3.96Å; F176-R241 HydrophobicContact CE1-CG 4.46Å; F176-R241 HydrophobicContact CZ-CB 4.03Å | ||
| 177 | P | 96.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 49% | 0.487 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.6 | -33.1 | -172.6 | 25.4 | -34.8 | 0 | 0 | 0 | 112.9 | A173 I175 Q180 S181 | A173-P177 VanDerWaalsContact O-CA 3.28Å; A173-P177 WeakPolarHBondContact O-CA 3.13Å; I175-P177 VanDerWaalsContact O-CD 3.28Å; I175-P177 WeakPolarHBondContact O-CD 3.18Å; P177-Q180 PolarHBondContact O-N 2.98Å; P177-S181 PolarHBondContact O-N 3.19Å |
| 178 | N | 95.4 | Very high | 95.6 | Very high | 136 Ų | 136 | 55 Ų | 55 | 73% | 0.727 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.5 | -39.8 | 176.6 | -67.6 | -23.8 | 0 | 0 | 0 | 111.9 | F176 S181 V182 | F176-N178 VanDerWaalsContact C-N 3.28Å; F176-N178 PolarHBondContact O-N 2.92Å; N178-S181 PolarHBondContact O-N 3.3Å; N178-V182 WeakPolarHBondContact O-CG2 3.45Å; N178-V182 PolarHBondContact O-N 2.85Å; N178-V182 VanDerWaalsContact O-N 3.08Å |
| 179 | E | 95.5 | Very high | 95.4 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -40.8 | 176.9 | -58.6 | -163.4 | -175 | 0 | 0 | 110.9 | F176 S181 V182 L183 F210 P211 H212 M213 | F176-E179 HydrophobicContact CB-CB 4.1Å; F176-E179 HydrophobicContact CB-CG 4.01Å; F176-E179 PolarHBondContact O-N 3.09Å; F176-E179 VanDerWaalsContact O-N 3.09Å; E179-S181 VanDerWaalsContact C-N 3.33Å; E179-S181 PolarHBondContact O-N 2.85Å; E179-V182 PolarHBondContact O-N 3.34Å; E179-L183 WeakPolarHBondContact O-CG 3.38Å; E179-L183 PolarHBondContact O-N 3.49Å; E179-F210 HydrophobicContact CB-CB 3.84Å; E179-F210 VanDerWaalsContact CD-CA 3.48Å; E179-F210 HydrophobicContact CG-CB 4.25Å; E179-F210 VanDerWaalsContact OE2-CA 3.26Å; E179-F210 WeakPolarHBondContact OE2-CA 3.47Å; E179-P211 WeakPolarHBondContact OE1-CD 3.42Å; E179-P211 WeakPolarHBondContact OE1-CG 3.21Å; E179-H212 IonicContact OE1-CE1 2.69Å; E179-H212 IonicContact OE1-CG 2.68Å; E179-H212 PolarHBondContact OE1-N 3.17Å; E179-H212 IonicContact OE1-ND1 3.58Å; E179-H212 PolarHBondContact OE1-ND1 3.08Å; E179-H212 PolarHBondContact OE2-N 3.21Å; E179-M213 HydrophobicContact CB-CG 4Å; E179-M213 WeakPolarHBondContact OE2-CG 3.45Å; E179-M213 PolarHBondContact OE2-N 3.15Å |
| 180 | Q | 96.6 | Very high | 95.2 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 174.5 | -173.1 | 62.3 | 47.3 | 0 | 0 | 111.6 | A173 F176 P177 V182 L183 N184 M213 | A173-Q180 HydrophobicContact CB-CB 4.21Å; A173-Q180 HydrophobicContact CB-CG 3.89Å; F176-Q180 PolarHBondContact O-N 2.97Å; F176-Q180 VanDerWaalsContact O-N 3.09Å; P177-Q180 PolarHBondContact O-N 2.98Å; Q180-V182 VanDerWaalsContact C-N 3.33Å; Q180-V182 PolarHBondContact O-N 3.02Å; Q180-L183 PolarHBondContact O-N 2.7Å; Q180-N184 PolarHBondContact NE2-OD1 2.98Å; Q180-N184 WeakPolarHBondContact O-CB 3.4Å; Q180-N184 PolarHBondContact O-N 2.82Å; Q180-N184 PolarHBondContact O-OD1 3.39Å; Q180-M213 HydrophobicContact CB-CE 4.44Å |
| 181 | S | 95.9 | Very high | 94.9 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 175.9 | -172.1 | 0 | 0 | 0 | 0 | 111.8 | P177 N178 E179 N184 E185 | P177-S181 PolarHBondContact O-N 3.19Å; N178-S181 PolarHBondContact O-N 3.3Å; E179-S181 VanDerWaalsContact C-N 3.33Å; E179-S181 PolarHBondContact O-N 2.85Å; S181-N184 PolarHBondContact O-N 3.31Å; S181-E185 PolarHBondContact O-N 2.78Å |
| 182 | V | 94.4 | Very high | 94.6 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.3 | -43 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | N178 E179 Q180 E185 L186 K209 F210 | N178-V182 WeakPolarHBondContact O-CG2 3.45Å; N178-V182 PolarHBondContact O-N 2.85Å; N178-V182 VanDerWaalsContact O-N 3.08Å; E179-V182 PolarHBondContact O-N 3.34Å; Q180-V182 VanDerWaalsContact C-N 3.33Å; Q180-V182 PolarHBondContact O-N 3.02Å; V182-E185 PolarHBondContact O-N 2.8Å; V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 WeakPolarHBondContact O-CB 3.34Å; V182-L186 WeakPolarHBondContact O-CG 3.3Å; V182-L186 PolarHBondContact O-N 2.71Å; V182-K209 HydrophobicContact CG1-CB 3.89Å; V182-K209 HydrophobicContact CG2-CB 4.32Å; V182-F210 HydrophobicContact CG1-CD1 3.96Å |
| 183 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64 | -39.9 | 177.3 | -74.9 | 170.7 | 0 | 0 | 0 | 112.3 | Y154 V157 E179 Q180 L186 T187 F210 M213 | Y154-L183 HydrophobicContact CD2-CD2 4.26Å; V157-L183 HydrophobicContact CB-CD2 4.46Å; V157-L183 HydrophobicContact CG1-CD1 3.9Å; V157-L183 HydrophobicContact CG1-CD2 4.23Å; E179-L183 WeakPolarHBondContact O-CG 3.38Å; E179-L183 PolarHBondContact O-N 3.49Å; Q180-L183 PolarHBondContact O-N 2.7Å; L183-L186 PolarHBondContact O-N 3.03Å; L183-T187 PolarHBondContact O-N 2.86Å; L183-T187 PolarHBondContact O-OG1 3.08Å; L183-T187 VanDerWaalsContact O-OG1 3.09Å; L183-F210 HydrophobicContact CD1-CB 4.44Å; L183-F210 HydrophobicContact CD2-CB 4.45Å; L183-F210 HydrophobicContact CD2-CD1 4.17Å; L183-F210 HydrophobicContact CD2-CD2 3.76Å; L183-F210 HydrophobicContact CD2-CE1 4.35Å; L183-F210 HydrophobicContact CD2-CE2 3.97Å; L183-F210 HydrophobicContact CD2-CG 3.87Å; L183-F210 HydrophobicContact CD2-CZ 4.26Å; L183-F210 HydrophobicContact CG-CB 4.17Å; L183-F210 HydrophobicContact CG-CD2 4.37Å; L183-F210 HydrophobicContact CG-CG 4.12Å; L183-M213 HydrophobicContact CD1-CB 3.87Å; L183-M213 HydrophobicContact CD1-CG 3.78Å; L183-M213 HydrophobicContact CD1-SD 4.44Å |
| 184 | N | 95.5 | Very high | 94 | Very high | 81 Ų | 81 | 64.5 Ų | 64.5 | 43% | 0.433 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 176.2 | -70.9 | -8.7 | 0 | 0 | 0 | 111.1 | Q180 S181 L186 T187 E188 | Q180-N184 PolarHBondContact NE2-OD1 2.98Å; Q180-N184 WeakPolarHBondContact O-CB 3.4Å; Q180-N184 PolarHBondContact O-N 2.82Å; Q180-N184 PolarHBondContact O-OD1 3.39Å; S181-N184 PolarHBondContact O-N 3.31Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.44Å; N184-T187 WeakPolarHBondContact O-CB 3.06Å; N184-T187 PolarHBondContact O-N 3.41Å; N184-T187 VanDerWaalsContact O-N 3.12Å; N184-E188 PolarHBondContact O-N 3Å; N184-E188 VanDerWaalsContact O-N 3.14Å |
| 185 | E | 93.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 60.3 Ų | 60.3 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.9 | -170.4 | 174.8 | 172 | 0 | 0 | 111.9 | S181 V182 T187 E188 R189 R205 | S181-E185 PolarHBondContact O-N 2.78Å; V182-E185 PolarHBondContact O-N 2.8Å; E185-T187 VanDerWaalsContact C-N 3.28Å; E185-T187 PolarHBondContact O-N 3.38Å; E185-E188 PolarHBondContact O-N 2.89Å; E185-R189 WeakPolarHBondContact O-CG 3.33Å; E185-R189 PolarHBondContact O-N 2.97Å; E185-R205 IonicContact OE1-CZ 3.83Å; E185-R205 IonicContact OE1-NE 3.56Å; E185-R205 IonicContact OE1-NH1 3.51Å; E185-R205 PolarHBondContact OE1-NH1 2.88Å; E185-R205 IonicContact OE1-NH2 3.17Å; E185-R205 PolarHBondContact OE1-NH2 3.42Å; E185-R205 IonicContact OE2-CZ 2.78Å; E185-R205 VanDerWaalsContact OE2-CZ 3.27Å; E185-R205 IonicContact OE2-NH1 3.91Å; E185-R205 PolarHBondContact OE2-NH1 3.38Å; E185-R205 IonicContact OE2-NH2 3.12Å; E185-R205 PolarHBondContact OE2-NH2 3.46Å |
| 186 | L | 93 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 171.9 | -79.8 | 171.3 | 0 | 0 | 0 | 111.8 | Y154 V182 L183 N184 E188 R189 V190 Y196 R205 F210 | Y154-L186 HydrophobicContact CD2-CB 3.84Å; Y154-L186 HydrophobicContact CD2-CD1 4.3Å; Y154-L186 HydrophobicContact CE2-CB 4.01Å; V182-L186 HydrophobicContact CG1-CD1 4.09Å; V182-L186 WeakPolarHBondContact O-CB 3.34Å; V182-L186 WeakPolarHBondContact O-CG 3.3Å; V182-L186 PolarHBondContact O-N 2.71Å; L183-L186 PolarHBondContact O-N 3.03Å; N184-L186 VanDerWaalsContact C-N 3.34Å; N184-L186 PolarHBondContact O-N 3.44Å; L186-E188 PolarHBondContact O-N 3.31Å; L186-R189 PolarHBondContact O-N 2.85Å; L186-V190 VanDerWaalsContact O-CB 3.27Å; L186-V190 WeakPolarHBondContact O-CB 3.34Å; L186-V190 WeakPolarHBondContact O-CG2 3.17Å; L186-V190 PolarHBondContact O-N 3.49Å; L186-Y196 HydrophobicContact CD2-CD1 4.16Å; L186-Y196 HydrophobicContact CD2-CE1 3.67Å; L186-R205 HydrophobicContact CD1-CB 4.32Å; L186-R205 HydrophobicContact CD2-CB 3.76Å; L186-R205 HydrophobicContact CD2-CG 4.49Å; L186-R205 HydrophobicContact CG-CB 4.2Å; L186-F210 HydrophobicContact CD1-CD1 4.22Å; L186-F210 HydrophobicContact CD1-CE1 3.56Å; L186-F210 HydrophobicContact CD1-CZ 4.23Å |
| 187 | T | 94.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 56.9 Ų | 56.9 | 21% | 0.209 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 176.5 | -68 | 0 | 0 | 0 | 0 | 112.3 | Y154 K158 L183 N184 E185 V190 K191 | Y154-T187 WeakPolarHBondContact CE2-OG1 3.41Å; Y154-T187 WeakPolarHBondContact OH-CA 3.28Å; Y154-T187 PolarHBondContact OH-OG1 3.09Å; Y154-T187 VanDerWaalsContact OH-OG1 3.12Å; K158-T187 WeakPolarHBondContact CE-OG1 3.08Å; K158-T187 PolarHBondContact NZ-OG1 2.88Å; L183-T187 PolarHBondContact O-N 2.86Å; L183-T187 PolarHBondContact O-OG1 3.08Å; L183-T187 VanDerWaalsContact O-OG1 3.09Å; N184-T187 WeakPolarHBondContact O-CB 3.06Å; N184-T187 PolarHBondContact O-N 3.41Å; N184-T187 VanDerWaalsContact O-N 3.12Å; E185-T187 VanDerWaalsContact C-N 3.28Å; E185-T187 PolarHBondContact O-N 3.38Å; T187-V190 PolarHBondContact O-N 3.29Å; T187-K191 VanDerWaalsContact O-CB 3.32Å; T187-K191 WeakPolarHBondContact O-CB 3.27Å; T187-K191 PolarHBondContact O-N 3.43Å |
| 188 | E | 94.5 | Very high | 91.9 | Very high | 103 Ų | 103 | 53.4 Ų | 53.4 | 48% | 0.481 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 177.9 | -63.9 | -51.7 | 124.7 | 0 | 0 | 111.6 | N184 E185 L186 V190 K191 E192 | N184-E188 PolarHBondContact O-N 3Å; N184-E188 VanDerWaalsContact O-N 3.14Å; E185-E188 PolarHBondContact O-N 2.89Å; L186-E188 PolarHBondContact O-N 3.31Å; E188-V190 PolarHBondContact O-N 2.98Å; E188-K191 WeakPolarHBondContact O-CB 3.25Å; E188-K191 PolarHBondContact O-N 3.12Å; E188-E192 WeakPolarHBondContact O-CG 3.43Å; E188-E192 PolarHBondContact O-N 3.39Å; E188-E192 VanDerWaalsContact O-N 3.14Å |
| 189 | R | 91.9 | Very high | 91.3 | Very high | 92 Ų | 92 | 47.3 Ų | 47.3 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 178.4 | -65.6 | -59.9 | -171.6 | 139.1 | 8 | 113.1 | E185 L186 E192 N193 Y196 | E185-R189 WeakPolarHBondContact O-CG 3.33Å; E185-R189 PolarHBondContact O-N 2.97Å; L186-R189 PolarHBondContact O-N 2.85Å; R189-E192 PolarHBondContact O-N 2.94Å; R189-N193 PolarHBondContact O-N 3.35Å; R189-Y196 HydrophobicContact CB-CD1 4.41Å; R189-Y196 HydrophobicContact CB-CD2 3.95Å; R189-Y196 HydrophobicContact CB-CE1 4.49Å; R189-Y196 HydrophobicContact CB-CE2 4.01Å; R189-Y196 HydrophobicContact CB-CG 4.17Å; R189-Y196 HydrophobicContact CG-CE2 4.21Å |
| 190 | V | 91.9 | Very high | 90.5 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.6 | -41.6 | 178 | 171.6 | 0 | 0 | 0 | 0 | 110 | F148 L151 Y154 L186 T187 E188 E192 N193 H194 | F148-V190 HydrophobicContact CD1-CG1 3.87Å; F148-V190 HydrophobicContact CE1-CG1 3.63Å; L151-V190 HydrophobicContact CD1-CG1 4.35Å; L151-V190 HydrophobicContact CD1-CG2 3.52Å; Y154-V190 HydrophobicContact CD1-CG2 4.3Å; Y154-V190 HydrophobicContact CE1-CB 4.21Å; Y154-V190 HydrophobicContact CE1-CG1 4Å; Y154-V190 HydrophobicContact CE1-CG2 4.01Å; L186-V190 VanDerWaalsContact O-CB 3.27Å; L186-V190 WeakPolarHBondContact O-CB 3.34Å; L186-V190 WeakPolarHBondContact O-CG2 3.17Å; L186-V190 PolarHBondContact O-N 3.49Å; T187-V190 PolarHBondContact O-N 3.29Å; E188-V190 PolarHBondContact O-N 2.98Å; V190-E192 VanDerWaalsContact C-N 3.25Å; V190-E192 PolarHBondContact O-N 2.87Å; V190-N193 CarbonylContact O-C 3.55Å; V190-N193 PolarHBondContact O-N 3.25Å; V190-H194 PolarHBondContact O-CD2 3.37Å; V190-H194 PolarHBondContact O-N 3.09Å; V190-H194 VanDerWaalsContact O-N 3.16Å |
| 191 | K | 90.8 | Very high | 89.9 | Confident | 155 Ų | 155 | 53.4 Ų | 53.4 | 67% | 0.674 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -59 | -36.5 | 176.6 | -176.6 | -177.2 | 175.8 | -171.7 | 0 | 112.8 | T187 E188 | T187-K191 VanDerWaalsContact O-CB 3.32Å; T187-K191 WeakPolarHBondContact O-CB 3.27Å; T187-K191 PolarHBondContact O-N 3.43Å; E188-K191 WeakPolarHBondContact O-CB 3.25Å; E188-K191 PolarHBondContact O-N 3.12Å |
| 192 | E | 89.4 | Confident | 89.2 | Confident | 148 Ų | 148 | 50.5 Ų | 50.5 | 69% | 0.692 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -75.3 | -32.2 | 174.3 | -67.7 | 174.1 | 172 | 0 | 0 | 112.6 | E188 R189 V190 | E188-E192 WeakPolarHBondContact O-CG 3.43Å; E188-E192 PolarHBondContact O-N 3.39Å; E188-E192 VanDerWaalsContact O-N 3.14Å; R189-E192 PolarHBondContact O-N 2.94Å; V190-E192 VanDerWaalsContact C-N 3.25Å; V190-E192 PolarHBondContact O-N 2.87Å |
| 193 | N | 89.3 | Confident | 88.2 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 15% | 0.15 | 26% | 0.262 | C | S | . | . | trans | -149.3 | 98.9 | -175.4 | 177.9 | 7.7 | 0 | 0 | 0 | 111.4 | P123 R189 V190 Y195 Y196 | P123-N193 WeakPolarHBondContact CD-OD1 3.5Å; P123-N193 HydrophobicContact CG-CB 4.15Å; P123-N193 VanDerWaalsContact CG-OD1 3.32Å; P123-N193 WeakPolarHBondContact CG-OD1 3.27Å; R189-N193 PolarHBondContact O-N 3.35Å; V190-N193 CarbonylContact O-C 3.55Å; V190-N193 PolarHBondContact O-N 3.25Å; N193-Y195 PolarHBondContact O-N 3.43Å; N193-Y195 VanDerWaalsContact OD1-C 3.31Å; N193-Y195 VanDerWaalsContact OD1-CA 3.29Å; N193-Y195 WeakPolarHBondContact OD1-CA 3.4Å; N193-Y195 WeakPolarHBondContact OD1-CB 3.04Å; N193-Y195 PolarHBondContact OD1-N 3.03Å; N193-Y196 WeakPolarHBondContact O-CB 3.42Å; N193-Y196 PolarHBondContact O-N 2.96Å; N193-Y196 PolarHBondContact OD1-N 3.06Å | ||
| 194 | H | 89 | Confident | 87.4 | Confident | 74 Ų | 74 | 59.6 Ų | 59.6 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -14.8 | 176.4 | -60.1 | 169.5 | 0 | 0 | 0 | 113.5 | E147 F148 V190 | E147-H194 HydrophobicContact CG-CB 3.75Å; E147-H194 IonicContact OE1-CE1 3.26Å; E147-H194 IonicContact OE1-CG 3.27Å; E147-H194 IonicContact OE1-ND1 2.62Å; E147-H194 PolarHBondContact OE1-ND1 2.73Å; F148-H194 WeakPolarHBondContact CA-O 3.1Å; F148-H194 HydrophobicContact CD1-CB 4.33Å; F148-H194 HydrophobicContact CE1-CB 3.87Å; F148-H194 AromaticContact CE1-CD2 3.74Å; F148-H194 AromaticContact CE1-CG 3.8Å; F148-H194 HydrophobicContact CZ-CB 4.12Å; F148-H194 AromaticContact CZ-CD2 3.94Å; F148-H194 AromaticContact CZ-CG 3.81Å; F148-H194 AromaticContact CZ-ND1 3.94Å; F148-H194 PolarHBondContact N-O 2.64Å; V190-H194 PolarHBondContact O-CD2 3.37Å; V190-H194 PolarHBondContact O-N 3.09Å; V190-H194 VanDerWaalsContact O-N 3.16Å |
| 195 | Y | 87.5 | Confident | 86.7 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 18.4 | 174.5 | -53.4 | -77.1 | 0 | 0 | 0 | 112.8 | F126 A146 E147 N193 G197 F198 | F126-Y195 HydrophobicContact CB-CD1 4.24Å; F126-Y195 HydrophobicContact CB-CD2 4.08Å; F126-Y195 HydrophobicContact CB-CE1 3.8Å; F126-Y195 HydrophobicContact CB-CE2 3.62Å; F126-Y195 HydrophobicContact CB-CG 4.36Å; F126-Y195 VanDerWaalsContact CB-CZ 3.46Å; F126-Y195 HydrophobicContact CD1-CD1 4.24Å; F126-Y195 AromaticContact CD1-CE1 3.93Å; F126-Y195 HydrophobicContact CD1-CE1 3.93Å; F126-Y195 AromaticContact CD2-CD1 3.16Å; F126-Y195 HydrophobicContact CD2-CD1 3.16Å; F126-Y195 AromaticContact CD2-CD2 3.75Å; F126-Y195 HydrophobicContact CD2-CD2 3.75Å; F126-Y195 AromaticContact CD2-CE1 3.58Å; F126-Y195 HydrophobicContact CD2-CE1 3.58Å; F126-Y195 HydrophobicContact CD2-CE2 4.11Å; F126-Y195 AromaticContact CD2-CG 3.24Å; F126-Y195 HydrophobicContact CD2-CG 3.24Å; F126-Y195 HydrophobicContact CE1-CD1 4.41Å; F126-Y195 HydrophobicContact CE1-CE1 4.39Å; F126-Y195 AromaticContact CE2-CD1 3.39Å; F126-Y195 HydrophobicContact CE2-CD1 3.39Å; F126-Y195 HydrophobicContact CE2-CE1 4.07Å; F126-Y195 AromaticContact CE2-CG 3.7Å; F126-Y195 HydrophobicContact CE2-CG 3.7Å; F126-Y195 AromaticContact CG-CD1 3.62Å; F126-Y195 HydrophobicContact CG-CD1 3.62Å; F126-Y195 HydrophobicContact CG-CD2 4.21Å; F126-Y195 AromaticContact CG-CE1 3.48Å; F126-Y195 HydrophobicContact CG-CE1 3.48Å; F126-Y195 VanDerWaalsContact CG-CE1 3.48Å; F126-Y195 HydrophobicContact CG-CE2 4.09Å; F126-Y195 AromaticContact CG-CG 3.98Å; F126-Y195 HydrophobicContact CG-CG 3.98Å; F126-Y195 AromaticContact CG-CZ 3.73Å; F126-Y195 HydrophobicContact CZ-CD1 4.02Å; F126-Y195 HydrophobicContact CZ-CE1 4.45Å; A146-Y195 HydrophobicContact CB-CE1 4.4Å; E147-Y195 HydrophobicContact CB-CE1 4.31Å; N193-Y195 PolarHBondContact O-N 3.43Å; N193-Y195 VanDerWaalsContact OD1-C 3.31Å; N193-Y195 VanDerWaalsContact OD1-CA 3.29Å; N193-Y195 WeakPolarHBondContact OD1-CA 3.4Å; N193-Y195 WeakPolarHBondContact OD1-CB 3.04Å; N193-Y195 PolarHBondContact OD1-N 3.03Å; Y195-G197 PolarHBondContact O-N 3.36Å; Y195-G197 VanDerWaalsContact O-N 3.09Å; Y195-F198 HydrophobicContact CD1-CD2 4.37Å; Y195-F198 HydrophobicContact CD1-CE2 4.01Å; Y195-F198 WeakPolarHBondContact O-CD2 3.09Å; Y195-F198 PolarHBondContact O-N 3.47Å; Y195-F198 VanDerWaalsContact O-N 3.14Å |
| 196 | Y | 87.7 | Confident | 86.1 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -52.2 | -35.7 | 178.2 | 177.6 | -103.7 | 0 | 0 | 0 | 112.3 | L151 L186 R189 N193 F198 G199 E201 A202 R205 | L151-Y196 HydrophobicContact CD2-CD1 4.13Å; L186-Y196 HydrophobicContact CD2-CD1 4.16Å; L186-Y196 HydrophobicContact CD2-CE1 3.67Å; R189-Y196 HydrophobicContact CB-CD1 4.41Å; R189-Y196 HydrophobicContact CB-CD2 3.95Å; R189-Y196 HydrophobicContact CB-CE1 4.49Å; R189-Y196 HydrophobicContact CB-CE2 4.01Å; R189-Y196 HydrophobicContact CB-CG 4.17Å; R189-Y196 HydrophobicContact CG-CE2 4.21Å; N193-Y196 WeakPolarHBondContact O-CB 3.42Å; N193-Y196 PolarHBondContact O-N 2.96Å; N193-Y196 PolarHBondContact OD1-N 3.06Å; Y196-F198 PolarHBondContact O-N 3.43Å; Y196-G199 PolarHBondContact O-N 2.65Å; Y196-E201 HydrophobicContact CE2-CB 4.33Å; Y196-E201 PolarHBondContact OH-O 3.32Å; Y196-A202 HydrophobicContact CD1-CB 3.86Å; Y196-A202 HydrophobicContact CE1-CB 3.66Å; Y196-A202 WeakPolarHBondContact O-CB 3.43Å; Y196-R205 WeakPolarHBondContact OH-CD 3.47Å; Y196-R205 PolarHBondContact OH-NE 2.92Å |
| 197 | G | 86.5 | Confident | 85.5 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -60.7 | -12.5 | -179 | 0 | 0 | 0 | 0 | 0 | 116.8 | G149 Y195 | G149-G197 WeakPolarHBondContact O-CA 2.98Å; Y195-G197 PolarHBondContact O-N 3.36Å; Y195-G197 VanDerWaalsContact O-N 3.09Å |
| 198 | F | 82.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.009 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -88.2 | -23 | 175.4 | -65 | -89.9 | 0 | 0 | 0 | 112.9 | M73 R76 W122 F126 A146 Y195 Y196 | M73-F198 WeakPolarHBondContact O-CE1 3.2Å; R76-F198 HydrophobicContact CG-CD1 4.29Å; R76-F198 HydrophobicContact CG-CE1 4.23Å; W122-F198 HydrophobicContact CD2-CB 3.51Å; W122-F198 HydrophobicContact CD2-CG 4.48Å; W122-F198 HydrophobicContact CE3-CB 3.62Å; W122-F198 HydrophobicContact CE3-CG 4.21Å; W122-F198 HydrophobicContact CG-CB 4.14Å; W122-F198 HydrophobicContact CH2-CB 3.9Å; W122-F198 HydrophobicContact CZ2-CB 3.79Å; W122-F198 WeakPolarHBondContact CZ2-O 3.49Å; W122-F198 HydrophobicContact CZ3-CB 3.82Å; W122-F198 HydrophobicContact CZ3-CG 4.39Å; F126-F198 HydrophobicContact CE2-CD1 4.3Å; F126-F198 AromaticContact CE2-CD2 3.69Å; F126-F198 HydrophobicContact CE2-CD2 3.69Å; F126-F198 HydrophobicContact CE2-CE1 4.4Å; F126-F198 AromaticContact CE2-CE2 3.82Å; F126-F198 HydrophobicContact CE2-CE2 3.82Å; F126-F198 AromaticContact CE2-CG 3.95Å; F126-F198 HydrophobicContact CE2-CG 3.95Å; F126-F198 HydrophobicContact CE2-CZ 4.19Å; F126-F198 AromaticContact CZ-CD1 4Å; F126-F198 HydrophobicContact CZ-CD1 4Å; F126-F198 AromaticContact CZ-CD2 3.97Å; F126-F198 HydrophobicContact CZ-CD2 3.97Å; F126-F198 AromaticContact CZ-CE1 3.75Å; F126-F198 HydrophobicContact CZ-CE1 3.75Å; F126-F198 AromaticContact CZ-CE2 3.74Å; F126-F198 HydrophobicContact CZ-CE2 3.74Å; F126-F198 HydrophobicContact CZ-CG 4.1Å; F126-F198 AromaticContact CZ-CZ 3.62Å; F126-F198 HydrophobicContact CZ-CZ 3.62Å; A146-F198 HydrophobicContact CB-CZ 4.07Å; A146-F198 VanDerWaalsContact O-CE2 3.23Å; A146-F198 WeakPolarHBondContact O-CE2 3.1Å; A146-F198 WeakPolarHBondContact O-CZ 3.45Å; Y195-F198 HydrophobicContact CD1-CD2 4.37Å; Y195-F198 HydrophobicContact CD1-CE2 4.01Å; Y195-F198 WeakPolarHBondContact O-CD2 3.09Å; Y195-F198 PolarHBondContact O-N 3.47Å; Y195-F198 VanDerWaalsContact O-N 3.14Å; Y196-F198 PolarHBondContact O-N 3.43Å |
| 199 | G | 82.7 | Confident | 85 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 8% | 0.082 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -68.7 | 155.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y196 E201 A202 | Y196-G199 PolarHBondContact O-N 2.65Å; G199-E201 PolarHBondContact O-N 3.11Å; G199-A202 PolarHBondContact O-N 2.66Å |
| 200 | P | 78.8 | Confident | 85.1 | Confident | 77 Ų | 77 | 56.1 Ų | 56.1 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -59.6 | -34.7 | 174.8 | 24 | -32.9 | 0 | 0 | 0 | 111.9 | A202 R203 | P200-A202 VanDerWaalsContact C-N 3.32Å; P200-A202 PolarHBondContact O-N 2.76Å; P200-R203 PolarHBondContact O-N 3.34Å |
| 201 | E | 82.5 | Confident | 85.2 | Confident | 102 Ų | 102 | 56.5 Ų | 56.5 | 48% | 0.477 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -65.2 | -30.6 | 179.4 | -61.2 | -169.2 | 171.4 | 0 | 0 | 113.4 | Y196 G199 R203 T204 | Y196-E201 HydrophobicContact CE2-CB 4.33Å; Y196-E201 PolarHBondContact OH-O 3.32Å; G199-E201 PolarHBondContact O-N 3.11Å; E201-R203 PolarHBondContact O-N 3.23Å; E201-T204 PolarHBondContact O-N 3.09Å; E201-T204 PolarHBondContact O-OG1 3.17Å |
| 202 | A | 82.4 | Confident | 85.4 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -63.1 | -30 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y196 G199 P200 T204 R205 G206 | Y196-A202 HydrophobicContact CD1-CB 3.86Å; Y196-A202 HydrophobicContact CE1-CB 3.66Å; Y196-A202 WeakPolarHBondContact O-CB 3.43Å; G199-A202 PolarHBondContact O-N 2.66Å; P200-A202 VanDerWaalsContact C-N 3.32Å; P200-A202 PolarHBondContact O-N 2.76Å; A202-T204 PolarHBondContact O-N 3.06Å; A202-R205 CarbonylContact O-C 3.56Å; A202-R205 PolarHBondContact O-N 2.9Å; A202-R205 VanDerWaalsContact O-N 3.11Å; A202-G206 PolarHBondContact O-N 3.23Å |
| 203 | R | 73.2 | Confident | 85.7 | Confident | 135 Ų | 135 | 42.4 Ų | 42.4 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -64.5 | -28 | 176.5 | -61.3 | -172.6 | -174 | -173.1 | 4.5 | 112.3 | H112 P200 E201 R205 | H112-R203 PolarHBondContact CE1-NH2 2.77Å; P200-R203 PolarHBondContact O-N 3.34Å; E201-R203 PolarHBondContact O-N 3.23Å; R203-R205 PolarHBondContact O-N 3.36Å |
| 204 | T | 79.3 | Confident | 85.9 | Confident | 86 Ų | 86 | 41.1 Ų | 41.1 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -76 | -13.1 | 178.8 | 74.1 | 0 | 0 | 0 | 0 | 112.5 | E201 A202 K209 | E201-T204 PolarHBondContact O-N 3.09Å; E201-T204 PolarHBondContact O-OG1 3.17Å; A202-T204 PolarHBondContact O-N 3.06Å; T204-K209 WeakPolarHBondContact O-CE 3.42Å; T204-K209 WeakPolarHBondContact O-CG 3.48Å |
| 205 | R | 80.2 | Confident | 86.1 | Confident | 51 Ų | 51 | 39.3 Ų | 39.3 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -120.1 | 27.4 | -177.4 | -57.3 | -178.7 | -175.8 | -84.6 | -5.7 | 113.4 | E185 L186 Y196 A202 R203 F210 | E185-R205 IonicContact OE1-CZ 3.83Å; E185-R205 IonicContact OE1-NE 3.56Å; E185-R205 IonicContact OE1-NH1 3.51Å; E185-R205 PolarHBondContact OE1-NH1 2.88Å; E185-R205 IonicContact OE1-NH2 3.17Å; E185-R205 PolarHBondContact OE1-NH2 3.42Å; E185-R205 IonicContact OE2-CZ 2.78Å; E185-R205 VanDerWaalsContact OE2-CZ 3.27Å; E185-R205 IonicContact OE2-NH1 3.91Å; E185-R205 PolarHBondContact OE2-NH1 3.38Å; E185-R205 IonicContact OE2-NH2 3.12Å; E185-R205 PolarHBondContact OE2-NH2 3.46Å; L186-R205 HydrophobicContact CD1-CB 4.32Å; L186-R205 HydrophobicContact CD2-CB 3.76Å; L186-R205 HydrophobicContact CD2-CG 4.49Å; L186-R205 HydrophobicContact CG-CB 4.2Å; Y196-R205 WeakPolarHBondContact OH-CD 3.47Å; Y196-R205 PolarHBondContact OH-NE 2.92Å; A202-R205 CarbonylContact O-C 3.56Å; A202-R205 PolarHBondContact O-N 2.9Å; A202-R205 VanDerWaalsContact O-N 3.11Å; R203-R205 PolarHBondContact O-N 3.36Å; R205-F210 WeakPolarHBondContact O-CE1 3.31Å |
| 206 | G | 80.3 | Confident | 86.5 | Confident | 27 Ų | 27 | 38.1 Ų | 38.1 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -67.6 | -177.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | A202 T208 K209 F210 | A202-G206 PolarHBondContact O-N 3.23Å; G206-T208 PolarHBondContact O-N 3.3Å; G206-K209 WeakPolarHBondContact O-CB 3.46Å; G206-K209 PolarHBondContact O-N 3.47Å; G206-F210 WeakPolarHBondContact O-CE1 3.45Å |
| 207 | S | 81.2 | Confident | 86.8 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -53.3 | -22.4 | 178.8 | 57.7 | 0 | 0 | 0 | 0 | 114.6 | K209 F210 P211 | S207-K209 PolarHBondContact O-N 3.21Å; S207-F210 CarbonylContact O-C 3.51Å; S207-F210 PolarHBondContact O-N 3.01Å; S207-P211 WeakPolarHBondContact O-CA 3.31Å |
| 208 | T | 87.3 | Confident | 87.1 | Confident | 96 Ų | 96 | 38.1 Ų | 38.1 | 59% | 0.589 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -64.8 | -16.6 | 174.6 | 58 | 0 | 0 | 0 | 0 | 113.7 | G206 | G206-T208 PolarHBondContact O-N 3.3Š|
| 209 | K | 90.9 | Very high | 87.6 | Confident | 113 Ų | 113 | 38.6 Ų | 38.6 | 49% | 0.491 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -95.5 | -15.3 | 178.4 | -60.9 | -57.3 | -172.1 | 176.8 | 0 | 114.2 | V182 T204 G206 S207 P211 | V182-K209 HydrophobicContact CG1-CB 3.89Å; V182-K209 HydrophobicContact CG2-CB 4.32Å; T204-K209 WeakPolarHBondContact O-CE 3.42Å; T204-K209 WeakPolarHBondContact O-CG 3.48Å; G206-K209 WeakPolarHBondContact O-CB 3.46Å; G206-K209 PolarHBondContact O-N 3.47Å; S207-K209 PolarHBondContact O-N 3.21Å; K209-P211 VanDerWaalsContact C-CD 3.41Å |
| 210 | F | 93.7 | Very high | 88.2 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -135.7 | 53.2 | 173.9 | 52.6 | -87 | 0 | 0 | 0 | 111.4 | A153 V157 E179 V182 L183 L186 R205 G206 S207 H212 M213 F214 | A153-F210 HydrophobicContact CB-CE2 3.78Å; A153-F210 HydrophobicContact CB-CZ 3.85Å; V157-F210 HydrophobicContact CG2-CD2 4.31Å; V157-F210 HydrophobicContact CG2-CE2 4.27Å; E179-F210 HydrophobicContact CB-CB 3.84Å; E179-F210 VanDerWaalsContact CD-CA 3.48Å; E179-F210 HydrophobicContact CG-CB 4.25Å; E179-F210 VanDerWaalsContact OE2-CA 3.26Å; E179-F210 WeakPolarHBondContact OE2-CA 3.47Å; V182-F210 HydrophobicContact CG1-CD1 3.96Å; L183-F210 HydrophobicContact CD1-CB 4.44Å; L183-F210 HydrophobicContact CD2-CB 4.45Å; L183-F210 HydrophobicContact CD2-CD1 4.17Å; L183-F210 HydrophobicContact CD2-CD2 3.76Å; L183-F210 HydrophobicContact CD2-CE1 4.35Å; L183-F210 HydrophobicContact CD2-CE2 3.97Å; L183-F210 HydrophobicContact CD2-CG 3.87Å; L183-F210 HydrophobicContact CD2-CZ 4.26Å; L183-F210 HydrophobicContact CG-CB 4.17Å; L183-F210 HydrophobicContact CG-CD2 4.37Å; L183-F210 HydrophobicContact CG-CG 4.12Å; L186-F210 HydrophobicContact CD1-CD1 4.22Å; L186-F210 HydrophobicContact CD1-CE1 3.56Å; L186-F210 HydrophobicContact CD1-CZ 4.23Å; R205-F210 WeakPolarHBondContact O-CE1 3.31Å; G206-F210 WeakPolarHBondContact O-CE1 3.45Å; S207-F210 CarbonylContact O-C 3.51Å; S207-F210 PolarHBondContact O-N 3.01Å; F210-H212 VanDerWaalsContact C-N 3.35Å; F210-H212 PolarHBondContact O-N 3.23Å; F210-M213 HydrophobicContact CB-CB 4.38Å; F210-M213 PolarHBondContact O-N 3.05Å; F210-F214 HydrophobicContact CD2-CB 4.05Å; F210-F214 HydrophobicContact CE2-CB 4.2Å; F210-F214 WeakPolarHBondContact O-CB 3.35Å; F210-F214 PolarHBondContact O-N 3.25Å; F210-F214 VanDerWaalsContact O-N 3.07Å |
| 211 | P | 94.3 | Very high | 88.9 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | -169.7 | 26.8 | -38.4 | 0 | 0 | 0 | 114.3 | E179 S207 K209 Y215 P237 M239 | E179-P211 WeakPolarHBondContact OE1-CD 3.42Å; E179-P211 WeakPolarHBondContact OE1-CG 3.21Å; S207-P211 WeakPolarHBondContact O-CA 3.31Å; K209-P211 VanDerWaalsContact C-CD 3.41Å; P211-Y215 WeakPolarHBondContact O-CB 3.45Å; P211-Y215 PolarHBondContact O-N 3.38Å; P211-P237 VanDerWaalsContact CA-CG 3.42Å; P211-P237 HydrophobicContact CB-CB 3.61Å; P211-P237 HydrophobicContact CB-CG 3.31Å; P211-M239 HydrophobicContact CB-CG 4.05Å |
| 212 | H | 95.5 | Very high | 89.3 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.028 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -74.8 | -43.5 | -176.7 | -59.8 | 95.4 | 0 | 0 | 0 | 110.9 | M172 F176 E179 F210 F214 Y215 V216 T240 R241 | M172-H212 HydrophobicContact CE-CB 4.31Å; F176-H212 HydrophobicContact CD1-CB 4.21Å; F176-H212 AromaticContact CD1-CG 3.94Å; F176-H212 AromaticContact CD1-ND1 3.71Å; F176-H212 HydrophobicContact CD2-CB 3.92Å; F176-H212 HydrophobicContact CE1-CB 4Å; F176-H212 AromaticContact CE1-CD2 3.73Å; F176-H212 AromaticContact CE1-CE1 3.78Å; F176-H212 AromaticContact CE1-CG 3.48Å; F176-H212 VanDerWaalsContact CE1-CG 3.48Å; F176-H212 AromaticContact CE1-ND1 3.5Å; F176-H212 AromaticContact CE1-NE2 3.95Å; F176-H212 HydrophobicContact CE2-CB 3.69Å; F176-H212 HydrophobicContact CG-CB 4.17Å; F176-H212 HydrophobicContact CZ-CB 3.73Å; F176-H212 AromaticContact CZ-CD2 3.64Å; F176-H212 AromaticContact CZ-CG 3.53Å; E179-H212 IonicContact OE1-CE1 2.69Å; E179-H212 IonicContact OE1-CG 2.68Å; E179-H212 PolarHBondContact OE1-N 3.17Å; E179-H212 IonicContact OE1-ND1 3.58Å; E179-H212 PolarHBondContact OE1-ND1 3.08Å; E179-H212 PolarHBondContact OE2-N 3.21Å; F210-H212 VanDerWaalsContact C-N 3.35Å; F210-H212 PolarHBondContact O-N 3.23Å; H212-F214 PolarHBondContact O-N 3.23Å; H212-Y215 PolarHBondContact O-N 3.2Å; H212-V216 WeakPolarHBondContact O-CG2 3.14Å; H212-V216 PolarHBondContact O-N 2.97Å; H212-T240 PolarHBondContact NE2-N 3.5Å; H212-R241 PolarHBondContact NE2-N 3.4Å |
| 213 | M | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.3 | -66.7 | -72.7 | -171.9 | 0 | 0 | 111.7 | V157 M172 A173 F176 E179 Q180 L183 F210 V216 A217 | V157-M213 HydrophobicContact CG2-CB 4.36Å; M172-M213 HydrophobicContact CB-CE 3.78Å; M172-M213 HydrophobicContact CB-SD 3.88Å; M172-M213 HydrophobicContact CE-CE 4.42Å; M172-M213 HydrophobicContact CE-CG 4.19Å; M172-M213 HydrophobicContact CE-SD 3.58Å; M172-M213 VanDerWaalsContact CE-SD 3.58Å; A173-M213 HydrophobicContact CB-CE 4.47Å; F176-M213 HydrophobicContact CB-CE 4.42Å; E179-M213 HydrophobicContact CB-CG 4Å; E179-M213 WeakPolarHBondContact OE2-CG 3.45Å; E179-M213 PolarHBondContact OE2-N 3.15Å; Q180-M213 HydrophobicContact CB-CE 4.44Å; L183-M213 HydrophobicContact CD1-CB 3.87Å; L183-M213 HydrophobicContact CD1-CG 3.78Å; L183-M213 HydrophobicContact CD1-SD 4.44Å; F210-M213 HydrophobicContact CB-CB 4.38Å; F210-M213 PolarHBondContact O-N 3.05Å; M213-V216 PolarHBondContact O-N 3.06Å; M213-A217 WeakPolarHBondContact O-CB 3.49Å; M213-A217 PolarHBondContact O-N 3.03Å |
| 214 | F | 93.9 | Very high | 90.5 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 177.3 | 175.2 | -111.2 | 0 | 0 | 0 | 112.3 | A153 L156 V157 F210 H212 V216 A217 K218 Y233 P237 | A153-F214 HydrophobicContact CB-CD2 3.48Å; A153-F214 VanDerWaalsContact CB-CD2 3.48Å; A153-F214 HydrophobicContact CB-CE2 3.69Å; A153-F214 HydrophobicContact CB-CG 4.1Å; A153-F214 HydrophobicContact CB-CZ 4.46Å; L156-F214 HydrophobicContact CB-CE2 4.39Å; L156-F214 HydrophobicContact CD2-CD2 4.04Å; L156-F214 HydrophobicContact CD2-CE2 3.44Å; L156-F214 VanDerWaalsContact CD2-CE2 3.44Å; L156-F214 HydrophobicContact CD2-CZ 4.21Å; V157-F214 HydrophobicContact CG2-CB 4.41Å; F210-F214 HydrophobicContact CD2-CB 4.05Å; F210-F214 HydrophobicContact CE2-CB 4.2Å; F210-F214 WeakPolarHBondContact O-CB 3.35Å; F210-F214 PolarHBondContact O-N 3.25Å; F210-F214 VanDerWaalsContact O-N 3.07Å; H212-F214 PolarHBondContact O-N 3.23Å; F214-V216 PolarHBondContact O-N 3.37Å; F214-A217 PolarHBondContact O-N 3.24Å; F214-K218 HydrophobicContact CE1-CD 4.44Å; F214-K218 HydrophobicContact CZ-CD 4.42Å; F214-K218 WeakPolarHBondContact O-CB 3.47Å; F214-K218 PolarHBondContact O-N 3.33Å; F214-Y233 AromaticContact CE1-CD1 3.93Å; F214-Y233 HydrophobicContact CE1-CD1 3.93Å; F214-Y233 AromaticContact CE1-CE1 3.65Å; F214-Y233 HydrophobicContact CE1-CE1 3.65Å; F214-Y233 HydrophobicContact CE2-CE1 4.38Å; F214-Y233 AromaticContact CZ-CD1 3.53Å; F214-Y233 HydrophobicContact CZ-CD1 3.53Å; F214-Y233 AromaticContact CZ-CE1 3.3Å; F214-Y233 HydrophobicContact CZ-CE1 3.3Å; F214-Y233 HydrophobicContact CZ-CG 4.49Å; F214-P237 HydrophobicContact CD1-CG 4.22Å |
| 215 | Y | 93.7 | Very high | 90.8 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 14% | 0.141 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.2 | -45.5 | 177.6 | 170.6 | -105.8 | 0 | 0 | 0 | 112.6 | P211 H212 K218 T219 M239 K242 C245 D246 L249 | P211-Y215 WeakPolarHBondContact O-CB 3.45Å; P211-Y215 PolarHBondContact O-N 3.38Å; H212-Y215 PolarHBondContact O-N 3.2Å; Y215-K218 PolarHBondContact O-N 3.03Å; Y215-T219 WeakPolarHBondContact CE2-OG1 3.43Å; Y215-T219 WeakPolarHBondContact O-CB 3.44Å; Y215-T219 PolarHBondContact O-N 3.27Å; Y215-T219 PolarHBondContact O-OG1 2.62Å; Y215-M239 WeakPolarHBondContact CB-SD 3.28Å; Y215-M239 HydrophobicContact CD1-CE 3.71Å; Y215-M239 HydrophobicContact CD1-SD 3.65Å; Y215-M239 HydrophobicContact CD2-CE 3.42Å; Y215-M239 VanDerWaalsContact CD2-CE 3.42Å; Y215-M239 HydrophobicContact CD2-SD 4.11Å; Y215-M239 HydrophobicContact CE1-CE 4.13Å; Y215-M239 HydrophobicContact CE2-CE 3.89Å; Y215-M239 HydrophobicContact CG-CE 3.33Å; Y215-M239 HydrophobicContact CG-SD 3.4Å; Y215-K242 HydrophobicContact CE1-CG 4.22Å; Y215-K242 WeakPolarHBondContact OH-CE 3.37Å; Y215-K242 PolarHBondContact OH-NZ 2.75Å; Y215-C245 HydrophobicContact CD1-CB 3.74Å; Y215-C245 HydrophobicContact CE1-CB 3.88Å; Y215-D246 PolarHBondContact OH-OD1 2.97Å; Y215-L249 HydrophobicContact CE1-CD1 3.96Å |
| 216 | V | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -48.9 | 177.6 | 167 | 0 | 0 | 0 | 0 | 110.2 | F167 W169 M172 H212 M213 F214 K218 T219 L220 C245 L249 | F167-V216 HydrophobicContact CD1-CG1 4.29Å; F167-V216 HydrophobicContact CE1-CG1 3.44Å; F167-V216 VanDerWaalsContact CE1-CG1 3.44Å; F167-V216 HydrophobicContact CE2-CG1 4.09Å; F167-V216 HydrophobicContact CZ-CG1 3.32Å; W169-V216 HydrophobicContact CH2-CG1 4.17Å; W169-V216 HydrophobicContact CZ3-CG1 4.22Å; M172-V216 HydrophobicContact CE-CB 4.2Å; M172-V216 HydrophobicContact CE-CG2 3.72Å; M172-V216 HydrophobicContact SD-CG2 4.06Å; H212-V216 WeakPolarHBondContact O-CG2 3.14Å; H212-V216 PolarHBondContact O-N 2.97Å; M213-V216 PolarHBondContact O-N 3.06Å; F214-V216 PolarHBondContact O-N 3.37Å; V216-K218 PolarHBondContact O-N 2.94Å; V216-T219 PolarHBondContact O-N 3.41Å; V216-L220 HydrophobicContact CG1-CD1 3.9Å; V216-L220 HydrophobicContact CG1-CG 4.28Å; V216-L220 WeakPolarHBondContact O-CB 3.34Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.45Å; V216-L220 PolarHBondContact O-N 3.32Å; V216-C245 HydrophobicContact CG2-CB 3.74Å; V216-L249 HydrophobicContact CG1-CD2 4.32Å |
| 217 | A | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.9 | -48.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L156 V157 A160 W169 M213 F214 T219 L220 F221 | L156-A217 HydrophobicContact CG-CB 4.29Å; V157-A217 HydrophobicContact CB-CB 4.39Å; V157-A217 HydrophobicContact CG2-CB 3.89Å; A160-A217 HydrophobicContact CB-CB 3.56Å; W169-A217 HydrophobicContact CH2-CB 4.42Å; M213-A217 WeakPolarHBondContact O-CB 3.49Å; M213-A217 PolarHBondContact O-N 3.03Å; F214-A217 PolarHBondContact O-N 3.24Å; A217-T219 VanDerWaalsContact C-N 3.34Å; A217-T219 PolarHBondContact O-N 3.25Å; A217-L220 PolarHBondContact O-N 2.92Å; A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 3.36Å; A217-F221 VanDerWaalsContact O-N 3.14Å |
| 218 | K | 92.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 35 Ų | 35 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 176 | -179.4 | -177.6 | 167.8 | -177.8 | 0 | 111.8 | L156 F214 Y215 V216 T222 M230 Y233 D236 | L156-K218 HydrophobicContact CD2-CB 3.88Å; F214-K218 HydrophobicContact CE1-CD 4.44Å; F214-K218 HydrophobicContact CZ-CD 4.42Å; F214-K218 WeakPolarHBondContact O-CB 3.47Å; F214-K218 PolarHBondContact O-N 3.33Å; Y215-K218 PolarHBondContact O-N 3.03Å; V216-K218 PolarHBondContact O-N 2.94Å; K218-T222 VanDerWaalsContact O-CB 3.29Å; K218-T222 WeakPolarHBondContact O-CB 3.45Å; K218-T222 PolarHBondContact O-N 3.2Å; K218-T222 PolarHBondContact O-OG1 2.96Å; K218-M230 WeakPolarHBondContact CE-O 3.34Å; K218-M230 HydrophobicContact CG-CB 4.45Å; K218-Y233 PolarHBondContact NZ-O 2.71Å; K218-D236 VanDerWaalsContact NZ-CG 3.26Å; K218-D236 IonicContact NZ-OD1 3.68Å; K218-D236 PolarHBondContact NZ-OD1 3.22Å; K218-D236 IonicContact NZ-OD2 2.62Å; K218-D236 PolarHBondContact NZ-OD2 2.82Å; K218-D236 VanDerWaalsContact NZ-OD2 3.12Å |
| 219 | T | 92.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | -180 | -53.5 | 0 | 0 | 0 | 0 | 111.3 | Y215 V216 A217 T222 E223 L249 | Y215-T219 WeakPolarHBondContact CE2-OG1 3.43Å; Y215-T219 WeakPolarHBondContact O-CB 3.44Å; Y215-T219 PolarHBondContact O-N 3.27Å; Y215-T219 PolarHBondContact O-OG1 2.62Å; V216-T219 PolarHBondContact O-N 3.41Å; A217-T219 VanDerWaalsContact C-N 3.34Å; A217-T219 PolarHBondContact O-N 3.25Å; T219-T222 PolarHBondContact O-N 3.13Å; T219-E223 HydrophobicContact CG2-CG 3.94Å; T219-E223 WeakPolarHBondContact O-CB 3.44Å; T219-E223 PolarHBondContact O-N 3.14Å; T219-L249 HydrophobicContact CG2-CD1 3.69Å; T219-L249 HydrophobicContact CG2-CD2 4.08Å; T219-L249 HydrophobicContact CG2-CG 4.49Å |
| 220 | L | 94.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -51.1 | 176.1 | -74.3 | 172.2 | 0 | 0 | 0 | 111.6 | F164 F167 W169 V216 A217 T222 F224 L249 F252 | F164-L220 HydrophobicContact CB-CD1 4.25Å; F164-L220 HydrophobicContact CD1-CD2 4.49Å; F164-L220 HydrophobicContact CD2-CB 3.84Å; F164-L220 HydrophobicContact CD2-CD1 4.07Å; F164-L220 HydrophobicContact CD2-CG 4.44Å; F164-L220 HydrophobicContact CE2-CB 3.65Å; F164-L220 HydrophobicContact CG-CB 4.37Å; F164-L220 HydrophobicContact CG-CD1 4.22Å; F164-L220 HydrophobicContact CG-CD2 4.45Å; F164-L220 HydrophobicContact CZ-CB 4.01Å; F167-L220 HydrophobicContact CB-CD1 4.39Å; F167-L220 HydrophobicContact CD1-CD1 4.23Å; F167-L220 HydrophobicContact CD2-CD1 4.08Å; F167-L220 HydrophobicContact CD2-CD2 3.89Å; F167-L220 HydrophobicContact CE2-CD1 4.49Å; F167-L220 HydrophobicContact CE2-CD2 4.3Å; F167-L220 HydrophobicContact CG-CD1 3.95Å; F167-L220 HydrophobicContact CG-CD2 4.48Å; W169-L220 HydrophobicContact CH2-CD1 3.79Å; W169-L220 HydrophobicContact CZ2-CD1 3.56Å; V216-L220 HydrophobicContact CG1-CD1 3.9Å; V216-L220 HydrophobicContact CG1-CG 4.28Å; V216-L220 WeakPolarHBondContact O-CB 3.34Å; V216-L220 VanDerWaalsContact O-CG 3.3Å; V216-L220 WeakPolarHBondContact O-CG 3.45Å; V216-L220 PolarHBondContact O-N 3.32Å; A217-L220 PolarHBondContact O-N 2.92Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 2.84Å; L220-F224 HydrophobicContact CD2-CD2 3.9Å; L220-F224 HydrophobicContact CD2-CE2 3.94Å; L220-F224 VanDerWaalsContact O-CB 3.28Å; L220-F224 WeakPolarHBondContact O-CB 3.1Å; L220-F224 WeakPolarHBondContact O-CD2 3.5Å; L220-F224 PolarHBondContact O-N 3.04Å; L220-L249 HydrophobicContact CD2-CD2 3.85Å; L220-L249 HydrophobicContact CG-CD2 3.99Å; L220-F252 HydrophobicContact CD2-CD1 3.69Å; L220-F252 HydrophobicContact CD2-CE1 3.65Å |
| 221 | F | 93.4 | Very high | 88.4 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 5% | 0.048 | 20% | 0.198 | C | C | . | . | I | π-helix | trans | -63.1 | -40 | 176.2 | -79.6 | -68.5 | 0 | 0 | 0 | 113.1 | L156 D159 A160 H163 F164 A217 Q225 G226 D227 | L156-F221 HydrophobicContact CD1-CD2 3.42Å; L156-F221 VanDerWaalsContact CD1-CD2 3.42Å; L156-F221 HydrophobicContact CD1-CE2 3.69Å; L156-F221 HydrophobicContact CD1-CG 4.27Å; L156-F221 HydrophobicContact CG-CD2 4.08Å; L156-F221 HydrophobicContact CG-CE2 4.3Å; D159-F221 HydrophobicContact CB-CE2 4.04Å; D159-F221 HydrophobicContact CB-CZ 3.72Å; A160-F221 HydrophobicContact CB-CD2 4.25Å; A160-F221 HydrophobicContact CB-CE2 3.67Å; A160-F221 HydrophobicContact CB-CZ 4.42Å; H163-F221 HydrophobicContact CB-CE1 4.45Å; H163-F221 HydrophobicContact CB-CZ 4.41Å; H163-F221 AromaticContact ND1-CZ 3.83Å; F164-F221 HydrophobicContact CE2-CD1 4.25Å; F164-F221 HydrophobicContact CE2-CE1 4.24Å; F164-F221 HydrophobicContact CE2-CG 4.44Å; F164-F221 HydrophobicContact CE2-CZ 4.44Å; A217-F221 WeakPolarHBondContact O-CD2 3.46Å; A217-F221 PolarHBondContact O-N 3.36Å; A217-F221 VanDerWaalsContact O-N 3.14Å; F221-Q225 HydrophobicContact CD1-CB 4.31Å; F221-Q225 HydrophobicContact CD1-CG 4.38Å; F221-Q225 VanDerWaalsContact CD1-OE1 3.28Å; F221-Q225 VanDerWaalsContact CE1-OE1 3.31Å; F221-Q225 CarbonylContact O-C 3.46Å; F221-Q225 WeakPolarHBondContact O-CB 3.1Å; F221-Q225 PolarHBondContact O-N 3.26Å; F221-G226 PolarHBondContact O-N 2.65Å; F221-G226 VanDerWaalsContact O-N 3.1Å; F221-D227 HydrophobicContact CB-CB 4.39Å; F221-D227 PolarHBondContact O-N 3.34Å; F221-D227 VanDerWaalsContact O-N 3.1Å |
| 222 | T | 91.2 | Very high | 87.3 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.104 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -71.4 | -42.8 | -176.2 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | K218 T219 L220 R231 | K218-T222 VanDerWaalsContact O-CB 3.29Å; K218-T222 WeakPolarHBondContact O-CB 3.45Å; K218-T222 PolarHBondContact O-N 3.2Å; K218-T222 PolarHBondContact O-OG1 2.96Å; T219-T222 PolarHBondContact O-N 3.13Å; L220-T222 VanDerWaalsContact C-N 3.34Å; L220-T222 PolarHBondContact O-N 2.84Å; T222-R231 HydrophobicContact CG2-CG 3.4Å |
| 223 | E | 90.6 | Very high | 86.1 | Confident | 102 Ų | 102 | 44.6 Ų | 44.6 | 48% | 0.477 | 24% | 0.238 | S | C | . | . | I | π-helix | trans | -90.5 | -33.3 | -174.7 | -71.6 | -165.4 | -166.1 | 0 | 0 | 113.1 | T219 R253 | T219-E223 HydrophobicContact CG2-CG 3.94Å; T219-E223 WeakPolarHBondContact O-CB 3.44Å; T219-E223 PolarHBondContact O-N 3.14Å; E223-R253 IonicContact OE2-CZ 2.71Å; E223-R253 IonicContact OE2-NH2 3.48Å; E223-R253 PolarHBondContact OE2-NH2 3.45Å |
| 224 | F | 90.1 | Very high | 84.5 | Confident | 28 Ų | 28 | 56.1 Ų | 56.1 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -108.6 | -28.1 | -169 | -59.6 | -91 | 0 | 0 | 0 | 113.7 | F164 L220 L249 F252 R253 H256 | F164-F224 HydrophobicContact CE1-CB 3.77Å; F164-F224 HydrophobicContact CZ-CB 4.13Å; L220-F224 HydrophobicContact CD2-CD2 3.9Å; L220-F224 HydrophobicContact CD2-CE2 3.94Å; L220-F224 VanDerWaalsContact O-CB 3.28Å; L220-F224 WeakPolarHBondContact O-CB 3.1Å; L220-F224 WeakPolarHBondContact O-CD2 3.5Å; L220-F224 PolarHBondContact O-N 3.04Å; F224-L249 HydrophobicContact CE2-CD2 4.42Å; F224-F252 HydrophobicContact CD1-CE1 4.32Å; F224-F252 HydrophobicContact CE1-CD1 4.06Å; F224-F252 HydrophobicContact CE1-CE1 4.32Å; F224-F252 HydrophobicContact CE2-CD1 4.29Å; F224-F252 HydrophobicContact CG-CE1 4.49Å; F224-F252 AromaticContact CZ-CD1 3.91Å; F224-F252 HydrophobicContact CZ-CD1 3.91Å; F224-F252 HydrophobicContact CZ-CE1 4.48Å; F224-R253 HydrophobicContact CE1-CB 4.13Å; F224-R253 HydrophobicContact CE1-CG 4.25Å; F224-R253 HydrophobicContact CZ-CB 4.18Å; F224-H256 HydrophobicContact CD1-CB 3.9Å; F224-H256 AromaticContact CD1-CD2 3.96Å; F224-H256 AromaticContact CD1-CE1 3.96Å; F224-H256 AromaticContact CD1-CG 3.52Å; F224-H256 AromaticContact CD1-ND1 3.56Å; F224-H256 HydrophobicContact CE1-CB 4.03Å |
| 225 | Q | 86.4 | Confident | 83.1 | Confident | 95 Ų | 95 | 57.3 Ų | 57.3 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -100 | -13.7 | 170.5 | -81.5 | -171.7 | 24.4 | 0 | 0 | 113.9 | H163 F164 F221 D227 | H163-Q225 PolarHBondContact CD2-NE2 3.17Å; H163-Q225 VanDerWaalsContact CD2-NE2 3.31Å; F164-Q225 HydrophobicContact CE1-CG 4.48Å; F164-Q225 HydrophobicContact CZ-CG 3.8Å; F221-Q225 HydrophobicContact CD1-CB 4.31Å; F221-Q225 HydrophobicContact CD1-CG 4.38Å; F221-Q225 VanDerWaalsContact CD1-OE1 3.28Å; F221-Q225 VanDerWaalsContact CE1-OE1 3.31Å; F221-Q225 CarbonylContact O-C 3.46Å; F221-Q225 WeakPolarHBondContact O-CB 3.1Å; F221-Q225 PolarHBondContact O-N 3.26Å; Q225-D227 VanDerWaalsContact C-N 3.31Å |
| 226 | G | 82.9 | Confident | 81.9 | Confident | 42 Ų | 42 | 60.1 Ų | 60.1 | 43% | 0.433 | 31% | 0.312 | S | S | . | . | trans | 73.4 | 20.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F221 N228 | F221-G226 PolarHBondContact O-N 2.65Å; F221-G226 VanDerWaalsContact O-N 3.1Å; G226-N228 PolarHBondContact O-N 3Å; G226-N228 PolarHBondContact O-ND2 2.72Å | ||
| 227 | D | 80.4 | Confident | 80.8 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 27% | 0.273 | 32% | 0.317 | S | S | . | . | trans | -71.4 | 93.5 | 174.8 | -173.9 | -4.4 | 0 | 0 | 0 | 110.4 | F221 Q225 S229 | F221-D227 HydrophobicContact CB-CB 4.39Å; F221-D227 PolarHBondContact O-N 3.34Å; F221-D227 VanDerWaalsContact O-N 3.1Å; Q225-D227 VanDerWaalsContact C-N 3.31Å; D227-S229 PolarHBondContact O-N 2.9Å; D227-S229 VanDerWaalsContact OD1-CB 3.27Å; D227-S229 WeakPolarHBondContact OD1-CB 3.05Å; D227-S229 PolarHBondContact OD1-N 3.26Å; D227-S229 PolarHBondContact OD1-OG 3.47Å; D227-S229 PolarHBondContact OD2-OG 3.09Å | ||
| 228 | N | 78 | Confident | 80.1 | Confident | 94 Ų | 94 | 70.7 Ų | 70.7 | 50% | 0.503 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -73 | -17 | 179.4 | -68.1 | -52.7 | 0 | 0 | 0 | 112.9 | G226 M230 R231 | G226-N228 PolarHBondContact O-N 3Å; G226-N228 PolarHBondContact O-ND2 2.72Å; N228-M230 PolarHBondContact O-N 3.05Å; N228-R231 WeakPolarHBondContact O-CB 2.95Å; N228-R231 PolarHBondContact O-N 3.4Å; N228-R231 PolarHBondContact OD1-NE 2.91Å; N228-R231 PolarHBondContact OD1-NH1 3.27Å; N228-R231 VanDerWaalsContact OD1-NH1 3.17Å; N228-R231 PolarHBondContact OD1-NH2 2.72Å |
| 229 | S | 75.1 | Confident | 79.9 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -64.9 | -32.4 | -179.9 | 76.2 | 0 | 0 | 0 | 0 | 111.3 | D227 R231 A232 | D227-S229 PolarHBondContact O-N 2.9Å; D227-S229 VanDerWaalsContact OD1-CB 3.27Å; D227-S229 WeakPolarHBondContact OD1-CB 3.05Å; D227-S229 PolarHBondContact OD1-N 3.26Å; D227-S229 PolarHBondContact OD1-OG 3.47Å; D227-S229 PolarHBondContact OD2-OG 3.09Å; S229-R231 VanDerWaalsContact C-N 3.32Å; S229-R231 PolarHBondContact O-N 3.28Å; S229-A232 PolarHBondContact O-N 2.71Å |
| 230 | M | 75.3 | Confident | 79.8 | Confident | 42 Ų | 42 | 77.5 Ų | 77.5 | 21% | 0.207 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -71.3 | -22.7 | 177.6 | -66.6 | -60.6 | 143.2 | 0 | 0 | 113.5 | L156 K218 N228 A232 Y233 | L156-M230 HydrophobicContact CD1-CG 4.42Å; L156-M230 HydrophobicContact CD1-SD 4.09Å; L156-M230 HydrophobicContact CD2-SD 4.38Å; K218-M230 WeakPolarHBondContact CE-O 3.34Å; K218-M230 HydrophobicContact CG-CB 4.45Å; N228-M230 PolarHBondContact O-N 3.05Å; M230-A232 PolarHBondContact O-N 2.92Å; M230-Y233 VanDerWaalsContact O-CB 3.29Å; M230-Y233 WeakPolarHBondContact O-CB 3.42Å; M230-Y233 PolarHBondContact O-N 3.32Å; M230-Y233 VanDerWaalsContact O-N 3.09Å |
| 231 | R | 71.9 | Confident | 79.6 | Confident | 156 Ų | 156 | 82.7 Ų | 82.7 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -61.1 | -33.2 | 176.4 | -69.1 | -175.5 | -178.2 | 169 | 7.6 | 112.6 | T222 N228 S229 Y233 | T222-R231 HydrophobicContact CG2-CG 3.4Å; N228-R231 WeakPolarHBondContact O-CB 2.95Å; N228-R231 PolarHBondContact O-N 3.4Å; N228-R231 PolarHBondContact OD1-NE 2.91Å; N228-R231 PolarHBondContact OD1-NH1 3.27Å; N228-R231 VanDerWaalsContact OD1-NH1 3.17Å; N228-R231 PolarHBondContact OD1-NH2 2.72Å; S229-R231 VanDerWaalsContact C-N 3.32Å; S229-R231 PolarHBondContact O-N 3.28Å; R231-Y233 PolarHBondContact O-N 3.13Å |
| 232 | A | 70.3 | Confident | 79.6 | Confident | 80 Ų | 80 | 86.1 Ų | 86.1 | 66% | 0.661 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -76.7 | -9.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S229 M230 R234 | S229-A232 PolarHBondContact O-N 2.71Å; M230-A232 PolarHBondContact O-N 2.92Å; A232-R234 PolarHBondContact O-N 3.04Å; A232-R234 VanDerWaalsContact O-N 3.09Å |
| 233 | Y | 70.4 | Confident | 79.8 | Confident | 75 Ų | 75 | 89.5 Ų | 89.5 | 29% | 0.294 | 45% | 0.451 | S | S | . | . | trans | -67.7 | 109.9 | -178.4 | -172.1 | -96.5 | 0 | 0 | 0 | 111.1 | T152 F214 K218 M230 R231 G235 | T152-Y233 HydrophobicContact CG2-CE2 4.43Å; F214-Y233 AromaticContact CE1-CD1 3.93Å; F214-Y233 HydrophobicContact CE1-CD1 3.93Å; F214-Y233 AromaticContact CE1-CE1 3.65Å; F214-Y233 HydrophobicContact CE1-CE1 3.65Å; F214-Y233 HydrophobicContact CE2-CE1 4.38Å; F214-Y233 AromaticContact CZ-CD1 3.53Å; F214-Y233 HydrophobicContact CZ-CD1 3.53Å; F214-Y233 AromaticContact CZ-CE1 3.3Å; F214-Y233 HydrophobicContact CZ-CE1 3.3Å; F214-Y233 HydrophobicContact CZ-CG 4.49Å; K218-Y233 PolarHBondContact NZ-O 2.71Å; M230-Y233 VanDerWaalsContact O-CB 3.29Å; M230-Y233 WeakPolarHBondContact O-CB 3.42Å; M230-Y233 PolarHBondContact O-N 3.32Å; M230-Y233 VanDerWaalsContact O-N 3.09Å; R231-Y233 PolarHBondContact O-N 3.13Å; Y233-G235 VanDerWaalsContact C-N 3.32Å; Y233-G235 PolarHBondContact O-N 2.84Å | ||
| 234 | R | 63.2 | Low | 79.9 | Confident | 241 Ų | 241 | 86.4 Ų | 86.4 | 91% | 0.909 | 44% | 0.438 | S | S | * | . | trans | -79.1 | -5.9 | -175.8 | -65.9 | -174.6 | 177.1 | -174.6 | -1.2 | 115 | A232 D236 | A232-R234 PolarHBondContact O-N 3.04Å; A232-R234 VanDerWaalsContact O-N 3.09Å; R234-D236 PolarHBondContact O-N 3.09Å | ||
| 235 | G | 63.7 | Low | 80.2 | Confident | 28 Ų | 28 | 85.1 Ų | 85.1 | 29% | 0.289 | 43% | 0.432 | S | S | . | . | trans | -80.9 | 37.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y233 P237 | Y233-G235 VanDerWaalsContact C-N 3.32Å; Y233-G235 PolarHBondContact O-N 2.84Å; G235-P237 WeakPolarHBondContact O-CD 3.28Å; G235-P237 VanDerWaalsContact O-N 3.16Å | ||
| 236 | D | 68.3 | Low | 80.6 | Confident | 94 Ų | 94 | 83.2 Ų | 83.2 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | trans | -68.3 | 108.5 | 177.9 | -77.2 | -27 | 0 | 0 | 0 | 109.1 | K218 R234 | K218-D236 VanDerWaalsContact NZ-CG 3.26Å; K218-D236 IonicContact NZ-OD1 3.68Å; K218-D236 PolarHBondContact NZ-OD1 3.22Å; K218-D236 IonicContact NZ-OD2 2.62Å; K218-D236 PolarHBondContact NZ-OD2 2.82Å; K218-D236 VanDerWaalsContact NZ-OD2 3.12Å; R234-D236 PolarHBondContact O-N 3.09Å | ||
| 237 | P | 71.8 | Confident | 81.2 | Confident | 17 Ų | 17 | 85.6 Ų | 85.6 | 11% | 0.11 | 42% | 0.424 | C | S | . | . | trans | -75.8 | 153.5 | -175.8 | 33.3 | -32.8 | 0 | 0 | 0 | 109.9 | P211 F214 G235 M239 | P211-P237 VanDerWaalsContact CA-CG 3.42Å; P211-P237 HydrophobicContact CB-CB 3.61Å; P211-P237 HydrophobicContact CB-CG 3.31Å; F214-P237 HydrophobicContact CD1-CG 4.22Å; G235-P237 WeakPolarHBondContact O-CD 3.28Å; G235-P237 VanDerWaalsContact O-N 3.16Å; P237-M239 PolarHBondContact O-N 2.78Å; P237-M239 VanDerWaalsContact O-N 3.09Å | ||
| 238 | K | 80.5 | Confident | 81.9 | Confident | 206 Ų | 206 | 84.4 Ų | 84.4 | 90% | 0.896 | 42% | 0.417 | S | S | * | . | trans | -64.6 | 113.5 | 175.4 | -68.7 | -175.7 | 179.1 | -178.5 | 0 | 109.3 | ||||
| 239 | M | 87.5 | Confident | 82.7 | Confident | 49 Ų | 49 | 80.4 Ų | 80.4 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | trans | -97.7 | 143.4 | 175.8 | -70.1 | -174.4 | -70.3 | 0 | 0 | 111.1 | P211 Y215 P237 K242 | P211-M239 HydrophobicContact CB-CG 4.05Å; Y215-M239 WeakPolarHBondContact CB-SD 3.28Å; Y215-M239 HydrophobicContact CD1-CE 3.71Å; Y215-M239 HydrophobicContact CD1-SD 3.65Å; Y215-M239 HydrophobicContact CD2-CE 3.42Å; Y215-M239 VanDerWaalsContact CD2-CE 3.42Å; Y215-M239 HydrophobicContact CD2-SD 4.11Å; Y215-M239 HydrophobicContact CE1-CE 4.13Å; Y215-M239 HydrophobicContact CE2-CE 3.89Å; Y215-M239 HydrophobicContact CG-CE 3.33Å; Y215-M239 HydrophobicContact CG-SD 3.4Å; P237-M239 PolarHBondContact O-N 2.78Å; P237-M239 VanDerWaalsContact O-N 3.09Å; M239-K242 HydrophobicContact CB-CB 4.46Å; M239-K242 HydrophobicContact CE-CB 4.05Å; M239-K242 HydrophobicContact CE-CD 3.97Å; M239-K242 HydrophobicContact CE-CG 3.71Å | ||
| 240 | T | 89.8 | Confident | 83.7 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 74% | 0.742 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -97.1 | -27.2 | 176.8 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | H212 | H212-T240 PolarHBondContact NE2-N 3.5Š|
| 241 | R | 91.7 | Very high | 84.6 | Confident | 109 Ų | 109 | 84.8 Ų | 84.8 | 41% | 0.411 | 40% | 0.402 | S | S | . | . | trans | -127.4 | 46.3 | -173.4 | -62.4 | -58.1 | -55.1 | -86.3 | 6.2 | 112.7 | F176 H212 D243 L244 | F176-R241 HydrophobicContact CE1-CB 3.96Å; F176-R241 HydrophobicContact CE1-CG 4.46Å; F176-R241 HydrophobicContact CZ-CB 4.03Å; H212-R241 PolarHBondContact NE2-N 3.4Å; R241-D243 WeakPolarHBondContact CA-OD1 3.47Å; R241-D243 IonicContact CZ-OD2 3.96Å; R241-D243 IonicContact NE-OD1 2.73Å; R241-D243 PolarHBondContact NE-OD1 3.25Å; R241-D243 IonicContact NE-OD2 2.65Å; R241-D243 IonicContact NH2-OD2 3.31Å; R241-D243 PolarHBondContact NH2-OD2 3Å; R241-D243 VanDerWaalsContact NH2-OD2 3.17Å; R241-D243 PolarHBondContact O-N 3.09Å; R241-L244 HydrophobicContact CB-CD1 4.26Å; R241-L244 HydrophobicContact CB-CG 4.41Å; R241-L244 VanDerWaalsContact CZ-CD1 3.44Å; R241-L244 VanDerWaalsContact NH2-CD1 3.33Å; R241-L244 VanDerWaalsContact NH2-CG 3.3Å; R241-L244 PolarHBondContact O-N 3.44Å; R241-L244 VanDerWaalsContact O-N 3.15Å | ||
| 242 | K | 92.3 | Very high | 85.7 | Confident | 83 Ų | 83 | 77.6 Ų | 77.6 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.2 | -32.8 | 177 | -172.7 | -174.6 | -178.1 | -53.3 | 0 | 111.9 | Y215 M239 L244 C245 D246 | Y215-K242 HydrophobicContact CE1-CG 4.22Å; Y215-K242 WeakPolarHBondContact OH-CE 3.37Å; Y215-K242 PolarHBondContact OH-NZ 2.75Å; M239-K242 HydrophobicContact CB-CB 4.46Å; M239-K242 HydrophobicContact CE-CB 4.05Å; M239-K242 HydrophobicContact CE-CD 3.97Å; M239-K242 HydrophobicContact CE-CG 3.71Å; K242-L244 VanDerWaalsContact C-N 3.29Å; K242-L244 PolarHBondContact O-N 2.83Å; K242-C245 WeakPolarHBondContact O-CB 3.48Å; K242-C245 PolarHBondContact O-N 2.97Å; K242-D246 IonicContact NZ-OD1 2.75Å; K242-D246 PolarHBondContact NZ-OD1 2.65Å; K242-D246 IonicContact NZ-OD2 2.71Å; K242-D246 PolarHBondContact NZ-OD2 2.94Å; K242-D246 WeakPolarHBondContact O-CB 3.29Å; K242-D246 VanDerWaalsContact O-CG 3.25Å; K242-D246 PolarHBondContact O-N 2.79Å |
| 243 | D | 94.8 | Very high | 86.7 | Confident | 88 Ų | 88 | 79.5 Ų | 79.5 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -52.4 | -43.2 | 175 | 60.2 | -55.6 | 0 | 0 | 0 | 113.1 | R241 K247 | R241-D243 WeakPolarHBondContact CA-OD1 3.47Å; R241-D243 IonicContact CZ-OD2 3.96Å; R241-D243 IonicContact NE-OD1 2.73Å; R241-D243 PolarHBondContact NE-OD1 3.25Å; R241-D243 IonicContact NE-OD2 2.65Å; R241-D243 IonicContact NH2-OD2 3.31Å; R241-D243 PolarHBondContact NH2-OD2 3Å; R241-D243 VanDerWaalsContact NH2-OD2 3.17Å; R241-D243 PolarHBondContact O-N 3.09Å; D243-K247 WeakPolarHBondContact O-CB 3.28Å; D243-K247 PolarHBondContact O-N 3.28Å |
| 244 | L | 94.2 | Very high | 87.6 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.199 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 179 | -65.9 | -175 | 0 | 0 | 0 | 111.7 | I175 R241 K242 K247 L248 | I175-L244 HydrophobicContact CG2-CD1 3.6Å; R241-L244 HydrophobicContact CB-CD1 4.26Å; R241-L244 HydrophobicContact CB-CG 4.41Å; R241-L244 VanDerWaalsContact CZ-CD1 3.44Å; R241-L244 VanDerWaalsContact NH2-CD1 3.33Å; R241-L244 VanDerWaalsContact NH2-CG 3.3Å; R241-L244 PolarHBondContact O-N 3.44Å; R241-L244 VanDerWaalsContact O-N 3.15Å; K242-L244 VanDerWaalsContact C-N 3.29Å; K242-L244 PolarHBondContact O-N 2.83Å; L244-K247 PolarHBondContact O-N 3.17Å; L244-L248 WeakPolarHBondContact O-CG 3.46Å; L244-L248 PolarHBondContact O-N 2.83Å |
| 245 | C | 94.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 175.7 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | Y215 V216 K242 K247 L248 L249 | Y215-C245 HydrophobicContact CD1-CB 3.74Å; Y215-C245 HydrophobicContact CE1-CB 3.88Å; V216-C245 HydrophobicContact CG2-CB 3.74Å; K242-C245 WeakPolarHBondContact O-CB 3.48Å; K242-C245 PolarHBondContact O-N 2.97Å; C245-K247 VanDerWaalsContact C-N 3.3Å; C245-K247 PolarHBondContact O-N 3.03Å; C245-L248 PolarHBondContact O-N 3.1Å; C245-L249 WeakPolarHBondContact O-CB 3.4Å; C245-L249 WeakPolarHBondContact O-CG 3.29Å; C245-L249 PolarHBondContact O-N 3.22Å |
| 246 | D | 95.3 | Very high | 90 | Very high | 56 Ų | 56 | 68.4 Ų | 68.4 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62 | -38.8 | 178.3 | -69.3 | -10.3 | 0 | 0 | 0 | 111.4 | Y215 K242 L249 R250 | Y215-D246 PolarHBondContact OH-OD1 2.97Å; K242-D246 IonicContact NZ-OD1 2.75Å; K242-D246 PolarHBondContact NZ-OD1 2.65Å; K242-D246 IonicContact NZ-OD2 2.71Å; K242-D246 PolarHBondContact NZ-OD2 2.94Å; K242-D246 WeakPolarHBondContact O-CB 3.29Å; K242-D246 VanDerWaalsContact O-CG 3.25Å; K242-D246 PolarHBondContact O-N 2.79Å; D246-L249 PolarHBondContact O-N 3.36Å; D246-R250 VanDerWaalsContact O-CB 3.3Å; D246-R250 WeakPolarHBondContact O-CB 3.23Å; D246-R250 PolarHBondContact O-N 3.46Å |
| 247 | K | 95.7 | Very high | 90.9 | Very high | 92 Ų | 92 | 70.1 Ų | 70.1 | 40% | 0.4 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.3 | -52.2 | 173.4 | 178.5 | 176.6 | 179.7 | -175.2 | 0 | 110.8 | D243 L244 C245 L249 R250 D251 | D243-K247 WeakPolarHBondContact O-CB 3.28Å; D243-K247 PolarHBondContact O-N 3.28Å; L244-K247 PolarHBondContact O-N 3.17Å; C245-K247 VanDerWaalsContact C-N 3.3Å; C245-K247 PolarHBondContact O-N 3.03Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.35Å; K247-R250 WeakPolarHBondContact O-CB 2.97Å; K247-R250 PolarHBondContact O-N 3.27Å; K247-D251 WeakPolarHBondContact CG-OD2 3.5Å; K247-D251 WeakPolarHBondContact O-CB 3.42Å; K247-D251 PolarHBondContact O-N 3.37Å |
| 248 | L | 95.1 | Very high | 91.6 | Very high | 25 Ų | 25 | 73.5 Ų | 73.5 | 13% | 0.131 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 179.8 | -68.4 | 168.2 | 0 | 0 | 0 | 112.4 | F167 A168 A171 M172 I175 L244 C245 D251 F252 | F167-L248 HydrophobicContact CE2-CB 4.34Å; F167-L248 HydrophobicContact CZ-CB 3.96Å; A168-L248 HydrophobicContact CB-CD2 4.24Å; A171-L248 HydrophobicContact CB-CD2 4.45Å; M172-L248 HydrophobicContact CG-CD1 3.72Å; M172-L248 HydrophobicContact SD-CD1 3.36Å; M172-L248 WeakPolarHBondContact SD-CD1 3.44Å; I175-L248 HydrophobicContact CD1-CD1 4.1Å; L244-L248 WeakPolarHBondContact O-CG 3.46Å; L244-L248 PolarHBondContact O-N 2.83Å; C245-L248 PolarHBondContact O-N 3.1Å; L248-D251 PolarHBondContact O-N 2.96Å; L248-F252 WeakPolarHBondContact O-CB 3.49Å; L248-F252 PolarHBondContact O-N 2.91Å |
| 249 | L | 95.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 66.4 Ų | 66.4 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 175.7 | -73.4 | 163.1 | 0 | 0 | 0 | 112.3 | F167 Y215 V216 T219 L220 F224 C245 D246 K247 F252 R253 | F167-L249 HydrophobicContact CE2-CD2 4.24Å; Y215-L249 HydrophobicContact CE1-CD1 3.96Å; V216-L249 HydrophobicContact CG1-CD2 4.32Å; T219-L249 HydrophobicContact CG2-CD1 3.69Å; T219-L249 HydrophobicContact CG2-CD2 4.08Å; T219-L249 HydrophobicContact CG2-CG 4.49Å; L220-L249 HydrophobicContact CD2-CD2 3.85Å; L220-L249 HydrophobicContact CG-CD2 3.99Å; F224-L249 HydrophobicContact CE2-CD2 4.42Å; C245-L249 WeakPolarHBondContact O-CB 3.4Å; C245-L249 WeakPolarHBondContact O-CG 3.29Å; C245-L249 PolarHBondContact O-N 3.22Å; D246-L249 PolarHBondContact O-N 3.36Å; K247-L249 VanDerWaalsContact C-N 3.32Å; K247-L249 PolarHBondContact O-N 3.35Å; L249-F252 PolarHBondContact O-N 3.01Å; L249-R253 PolarHBondContact O-N 3.29Å |
| 250 | R | 95.2 | Very high | 91.5 | Very high | 159 Ų | 159 | 70.4 Ų | 70.4 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 175.9 | -179.9 | -179.8 | 60.6 | -144.9 | -4.1 | 111.5 | D246 K247 F252 R253 P254 | D246-R250 VanDerWaalsContact O-CB 3.3Å; D246-R250 WeakPolarHBondContact O-CB 3.23Å; D246-R250 PolarHBondContact O-N 3.46Å; K247-R250 WeakPolarHBondContact O-CB 2.97Å; K247-R250 PolarHBondContact O-N 3.27Å; R250-F252 VanDerWaalsContact C-N 3.26Å; R250-F252 PolarHBondContact O-N 3.07Å; R250-R253 WeakPolarHBondContact O-CB 3.42Å; R250-R253 PolarHBondContact O-N 3.18Å; R250-P254 VanDerWaalsContact O-CD 3.28Å; R250-P254 WeakPolarHBondContact O-CD 3.29Å |
| 251 | D | 93.7 | Very high | 91.2 | Very high | 53 Ų | 53 | 70.7 Ų | 70.7 | 28% | 0.283 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.6 | -28.9 | -179.4 | -61.7 | -8.6 | 0 | 0 | 0 | 111.1 | K247 L248 P254 | K247-D251 WeakPolarHBondContact CG-OD2 3.5Å; K247-D251 WeakPolarHBondContact O-CB 3.42Å; K247-D251 PolarHBondContact O-N 3.37Å; L248-D251 PolarHBondContact O-N 2.96Å; D251-P254 WeakPolarHBondContact O-CD 3.4Å |
| 252 | F | 94.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 67.7 Ų | 67.7 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -72.7 | -29.8 | 173.3 | -179.4 | -116 | 0 | 0 | 0 | 114 | F164 S166 F167 L220 F224 L248 L249 R250 L255 H256 | F164-F252 HydrophobicContact CB-CZ 4.4Å; F164-F252 HydrophobicContact CD1-CE1 4.09Å; F164-F252 HydrophobicContact CD1-CZ 4.05Å; S166-F252 WeakPolarHBondContact OG-CE2 3.32Å; F167-F252 HydrophobicContact CB-CD2 4.12Å; F167-F252 HydrophobicContact CB-CE2 3.96Å; F167-F252 HydrophobicContact CB-CZ 4.26Å; F167-F252 HydrophobicContact CD2-CB 3.79Å; F167-F252 AromaticContact CD2-CD1 3.91Å; F167-F252 HydrophobicContact CD2-CD1 3.91Å; F167-F252 AromaticContact CD2-CD2 3.9Å; F167-F252 HydrophobicContact CD2-CD2 3.9Å; F167-F252 HydrophobicContact CD2-CE1 4.46Å; F167-F252 HydrophobicContact CD2-CE2 4.45Å; F167-F252 AromaticContact CD2-CG 3.6Å; F167-F252 HydrophobicContact CD2-CG 3.6Å; F167-F252 HydrophobicContact CE2-CB 4.06Å; F167-F252 HydrophobicContact CE2-CG 4.33Å; L220-F252 HydrophobicContact CD2-CD1 3.69Å; L220-F252 HydrophobicContact CD2-CE1 3.65Å; F224-F252 HydrophobicContact CD1-CE1 4.32Å; F224-F252 HydrophobicContact CE1-CD1 4.06Å; F224-F252 HydrophobicContact CE1-CE1 4.32Å; F224-F252 HydrophobicContact CE2-CD1 4.29Å; F224-F252 HydrophobicContact CG-CE1 4.49Å; F224-F252 AromaticContact CZ-CD1 3.91Å; F224-F252 HydrophobicContact CZ-CD1 3.91Å; F224-F252 HydrophobicContact CZ-CE1 4.48Å; L248-F252 WeakPolarHBondContact O-CB 3.49Å; L248-F252 PolarHBondContact O-N 2.91Å; L249-F252 PolarHBondContact O-N 3.01Å; R250-F252 VanDerWaalsContact C-N 3.26Å; R250-F252 PolarHBondContact O-N 3.07Å; F252-L255 HydrophobicContact CD2-CB 4.37Å; F252-L255 WeakPolarHBondContact O-CB 2.93Å; F252-L255 PolarHBondContact O-N 3.05Å; F252-H256 HydrophobicContact CD1-CB 4.22Å; F252-H256 HydrophobicContact CE1-CB 3.76Å; F252-H256 AromaticContact CE1-CD2 3.84Å; F252-H256 HydrophobicContact CZ-CB 3.93Å; F252-H256 AromaticContact CZ-CD2 3.89Å; F252-H256 PolarHBondContact O-N 3.24Å |
| 253 | R | 92.7 | Very high | 88.2 | Confident | 120 Ų | 120 | 65.1 Ų | 65.1 | 45% | 0.453 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.6 | -43.2 | -172.1 | 180 | -178.7 | -79.4 | -137.4 | -2.1 | 114.3 | E223 F224 L249 R250 K257 | E223-R253 IonicContact OE2-CZ 2.71Å; E223-R253 IonicContact OE2-NH2 3.48Å; E223-R253 PolarHBondContact OE2-NH2 3.45Å; F224-R253 HydrophobicContact CE1-CB 4.13Å; F224-R253 HydrophobicContact CE1-CG 4.25Å; F224-R253 HydrophobicContact CZ-CB 4.18Å; L249-R253 PolarHBondContact O-N 3.29Å; R250-R253 WeakPolarHBondContact O-CB 3.42Å; R250-R253 PolarHBondContact O-N 3.18Å; R253-K257 WeakPolarHBondContact O-CG 3.15Å; R253-K257 PolarHBondContact O-N 3.48Å |
| 254 | P | 89.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 68 Ų | 68 | 46% | 0.461 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 172.5 | -23 | 33.7 | 0 | 0 | 0 | 113 | R250 D251 H256 K257 L258 | R250-P254 VanDerWaalsContact O-CD 3.28Å; R250-P254 WeakPolarHBondContact O-CD 3.29Å; D251-P254 WeakPolarHBondContact O-CD 3.4Å; P254-H256 PolarHBondContact O-N 3.46Å; P254-K257 PolarHBondContact O-N 2.97Å; P254-L258 WeakPolarHBondContact O-CG 3.46Å; P254-L258 PolarHBondContact O-N 3.14Å; P254-L258 VanDerWaalsContact O-N 3.13Å |
| 255 | L | 88.4 | Confident | 83.8 | Confident | 16 Ų | 16 | 69.7 Ų | 69.7 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -46.2 | 180 | -64.5 | 174.1 | 0 | 0 | 0 | 111.2 | F252 K257 L258 Q259 L278 | F252-L255 HydrophobicContact CD2-CB 4.37Å; F252-L255 WeakPolarHBondContact O-CB 2.93Å; F252-L255 PolarHBondContact O-N 3.05Å; L255-K257 VanDerWaalsContact C-N 3.35Å; L255-K257 PolarHBondContact O-N 3.48Å; L255-L258 WeakPolarHBondContact O-CB 3.19Å; L255-L258 PolarHBondContact O-N 3.04Å; L255-Q259 WeakPolarHBondContact O-CG 3.44Å; L255-Q259 PolarHBondContact O-N 2.9Å; L255-L278 HydrophobicContact CD2-CB 4.41Å |
| 256 | H | 87.9 | Confident | 81.2 | Confident | 24 Ų | 24 | 77.2 Ų | 77.2 | 11% | 0.111 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.5 | -174.5 | -87.5 | 0 | 0 | 0 | 112.5 | F164 F224 F252 P254 L258 Q259 M260 | F164-H256 AromaticContact CE1-NE2 3.97Å; F224-H256 HydrophobicContact CD1-CB 3.9Å; F224-H256 AromaticContact CD1-CD2 3.96Å; F224-H256 AromaticContact CD1-CE1 3.96Å; F224-H256 AromaticContact CD1-CG 3.52Å; F224-H256 AromaticContact CD1-ND1 3.56Å; F224-H256 HydrophobicContact CE1-CB 4.03Å; F252-H256 HydrophobicContact CD1-CB 4.22Å; F252-H256 HydrophobicContact CE1-CB 3.76Å; F252-H256 AromaticContact CE1-CD2 3.84Å; F252-H256 HydrophobicContact CZ-CB 3.93Å; F252-H256 AromaticContact CZ-CD2 3.89Å; F252-H256 PolarHBondContact O-N 3.24Å; P254-H256 PolarHBondContact O-N 3.46Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 PolarHBondContact O-N 3.34Å; H256-Q259 WeakPolarHBondContact O-CB 3.35Å; H256-Q259 PolarHBondContact O-N 3.18Å; H256-M260 PolarHBondContact CE1-SD 2.95Å; H256-M260 WeakPolarHBondContact O-CG 3.44Å; H256-M260 PolarHBondContact O-N 2.97Å |
| 257 | K | 87.7 | Confident | 78.6 | Confident | 131 Ų | 131 | 77.2 Ų | 77.2 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.4 | -41.5 | 176.4 | -76.6 | -179.8 | 177.5 | -173.7 | 0 | 111.7 | R253 P254 L255 Q259 M260 V261 | R253-K257 WeakPolarHBondContact O-CG 3.15Å; R253-K257 PolarHBondContact O-N 3.48Å; P254-K257 PolarHBondContact O-N 2.97Å; L255-K257 VanDerWaalsContact C-N 3.35Å; L255-K257 PolarHBondContact O-N 3.48Å; K257-Q259 VanDerWaalsContact C-N 3.35Å; K257-M260 PolarHBondContact O-N 2.76Å; K257-V261 VanDerWaalsContact O-CG2 3.31Å; K257-V261 WeakPolarHBondContact O-CG2 3.39Å; K257-V261 PolarHBondContact O-N 3.4Å |
| 258 | L | 86.2 | Confident | 76.2 | Confident | 87 Ų | 87 | 78.3 Ų | 78.3 | 46% | 0.455 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 176.9 | -68.5 | 168.8 | 0 | 0 | 0 | 111.7 | P254 L255 H256 M260 V261 A262 L278 | P254-L258 WeakPolarHBondContact O-CG 3.46Å; P254-L258 PolarHBondContact O-N 3.14Å; P254-L258 VanDerWaalsContact O-N 3.13Å; L255-L258 WeakPolarHBondContact O-CB 3.19Å; L255-L258 PolarHBondContact O-N 3.04Å; H256-L258 VanDerWaalsContact C-N 3.29Å; H256-L258 PolarHBondContact O-N 3.34Å; L258-M260 VanDerWaalsContact C-N 3.34Å; L258-M260 PolarHBondContact O-N 2.74Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-A262 WeakPolarHBondContact O-CB 3.21Å; L258-A262 PolarHBondContact O-N 2.9Å; L258-L278 HydrophobicContact CD1-CD1 3.28Å |
| 259 | Q | 83.9 | Confident | 73.8 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 27% | 0.266 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 175.5 | -68.2 | 179.3 | -47.2 | 0 | 0 | 112.5 | S166 L255 H256 K257 A262 G263 I275 | S166-Q259 VanDerWaalsContact OG-CD 3.29Å; S166-Q259 PolarHBondContact OG-NE2 3.39Å; S166-Q259 PolarHBondContact OG-OE1 3.3Å; L255-Q259 WeakPolarHBondContact O-CG 3.44Å; L255-Q259 PolarHBondContact O-N 2.9Å; H256-Q259 WeakPolarHBondContact O-CB 3.35Å; H256-Q259 PolarHBondContact O-N 3.18Å; K257-Q259 VanDerWaalsContact C-N 3.35Å; Q259-A262 PolarHBondContact O-N 3.4Å; Q259-G263 PolarHBondContact O-N 3.42Å; Q259-I275 HydrophobicContact CG-CD1 4.2Å |
| 260 | M | 82.9 | Confident | 71.6 | Confident | 133 Ų | 133 | 87.8 Ų | 87.8 | 66% | 0.655 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -67.4 | -38.2 | 175.9 | -69.6 | -162.5 | 82.5 | 0 | 0 | 112.9 | H256 K257 L258 G263 | H256-M260 PolarHBondContact CE1-SD 2.95Å; H256-M260 WeakPolarHBondContact O-CG 3.44Å; H256-M260 PolarHBondContact O-N 2.97Å; K257-M260 PolarHBondContact O-N 2.76Å; L258-M260 VanDerWaalsContact C-N 3.34Å; L258-M260 PolarHBondContact O-N 2.74Å; M260-G263 PolarHBondContact O-N 3.41Å |
| 261 | V | 81.8 | Confident | 69.7 | Low | 128 Ų | 128 | 82.5 Ų | 82.5 | 78% | 0.776 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.5 | -35.3 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | K257 L258 G263 | K257-V261 VanDerWaalsContact O-CG2 3.31Å; K257-V261 WeakPolarHBondContact O-CG2 3.39Å; K257-V261 PolarHBondContact O-N 3.4Å; L258-V261 PolarHBondContact O-N 3.2Å; V261-G263 PolarHBondContact O-N 2.95Å |
| 262 | A | 69.6 | Low | 68.3 | Low | 45 Ų | 45 | 83.9 Ų | 83.9 | 37% | 0.372 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -22 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L258 Q259 I271 | L258-A262 WeakPolarHBondContact O-CB 3.21Å; L258-A262 PolarHBondContact O-N 2.9Å; Q259-A262 PolarHBondContact O-N 3.4Å; A262-I271 HydrophobicContact CB-CD1 4.1Å |
| 263 | G | 52.7 | Low | 67.1 | Low | 29 Ų | 29 | 86.5 Ų | 86.5 | 30% | 0.299 | 51% | 0.508 | S | S | . | . | trans | 62.7 | 169.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q259 M260 V261 A265 | Q259-G263 PolarHBondContact O-N 3.42Å; M260-G263 PolarHBondContact O-N 3.41Å; V261-G263 PolarHBondContact O-N 2.95Å; G263-A265 PolarHBondContact O-N 2.84Å | ||
| 264 | P | 49.9 | Very low | 66.1 | Low | 149 Ų | 149 | 87 Ų | 87 | 97% | 0.968 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -74.2 | 14.9 | 176.5 | 28.5 | -32.3 | 0 | 0 | 0 | 113.8 | ||
| 265 | A | 46.9 | Very low | 65.1 | Low | 74 Ų | 74 | 84.9 Ų | 84.9 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | trans | -126.3 | 65.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G263 | G263-A265 PolarHBondContact O-N 2.84Š| ||
| 266 | Q | 39.4 | Very low | 64.6 | Low | 158 Ų | 158 | 90 Ų | 90 | 74% | 0.738 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -173.4 | 135.3 | 148.6 | -102.2 | 155.8 | 42.3 | 0 | 0 | 109.8 | T268 I271 | Q266-T268 PolarHBondContact O-N 3.25Å; Q266-I271 WeakPolarHBondContact O-CD1 3.25Å |
| 267 | G | 40.4 | Very low | 64.2 | Low | 56 Ų | 56 | 94.5 Ų | 94.5 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | trans | -42 | 132.1 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | H269 A270 | G267-H269 PolarHBondContact O-N 3.22Å; G267-A270 PolarHBondContact O-N 2.83Å | ||
| 268 | T | 45.6 | Very low | 63.6 | Low | 115 Ų | 115 | 90.5 Ų | 90.5 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -41.5 | -28.1 | -178.4 | -28.2 | 0 | 0 | 0 | 0 | 114.1 | Q266 V272 | Q266-T268 PolarHBondContact O-N 3.25Å; T268-V272 WeakPolarHBondContact O-CB 2.98Å; T268-V272 WeakPolarHBondContact O-CG2 3.3Å; T268-V272 PolarHBondContact O-N 2.84Å; T268-V272 VanDerWaalsContact O-N 3.12Å |
| 269 | H | 45.3 | Very low | 63.2 | Low | 170 Ų | 170 | 90.2 Ų | 90.2 | 79% | 0.787 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.5 | -39.4 | 179.8 | -77.2 | -66.8 | 0 | 0 | 0 | 115.7 | G267 A273 | G267-H269 PolarHBondContact O-N 3.22Å; H269-A273 PolarHBondContact O-N 2.94Å |
| 270 | A | 49.4 | Very low | 63.2 | Low | 64 Ų | 64 | 92.5 Ų | 92.5 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.9 | -39.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | G267 A273 E274 | G267-A270 PolarHBondContact O-N 2.83Å; A270-A273 PolarHBondContact O-N 3.35Å; A270-E274 PolarHBondContact O-N 3.48Å; A270-E274 VanDerWaalsContact O-N 3.09Å |
| 271 | I | 55.8 | Low | 63.1 | Low | 47 Ų | 47 | 91.3 Ų | 91.3 | 24% | 0.241 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 177.6 | -62.8 | 173.5 | 0 | 0 | 0 | 110.7 | A262 Q266 A273 E274 I275 | A262-I271 HydrophobicContact CB-CD1 4.1Å; Q266-I271 WeakPolarHBondContact O-CD1 3.25Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 2.75Å; I271-E274 PolarHBondContact O-N 2.84Å; I271-I275 HydrophobicContact CG2-CD1 3.61Å; I271-I275 HydrophobicContact CG2-CG1 4.18Å; I271-I275 WeakPolarHBondContact O-CB 3.27Å; I271-I275 VanDerWaalsContact O-CG1 3.23Å; I271-I275 WeakPolarHBondContact O-CG1 3.16Å; I271-I275 PolarHBondContact O-N 2.95Å |
| 272 | V | 63.3 | Low | 63 | Low | 82 Ų | 82 | 88.3 Ų | 88.3 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 175.7 | 168 | 0 | 0 | 0 | 0 | 111.5 | T268 K276 | T268-V272 WeakPolarHBondContact O-CB 2.98Å; T268-V272 WeakPolarHBondContact O-CG2 3.3Å; T268-V272 PolarHBondContact O-N 2.84Å; T268-V272 VanDerWaalsContact O-N 3.12Å; V272-K276 VanDerWaalsContact O-CB 3.26Å; V272-K276 WeakPolarHBondContact O-CB 3.22Å; V272-K276 PolarHBondContact O-N 3.03Å |
| 273 | A | 69 | Low | 63.6 | Low | 61 Ų | 61 | 92.1 Ų | 92.1 | 50% | 0.504 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H269 A270 I271 K276 K277 | H269-A273 PolarHBondContact O-N 2.94Å; A270-A273 PolarHBondContact O-N 3.35Å; I271-A273 VanDerWaalsContact C-N 3.3Å; I271-A273 PolarHBondContact O-N 2.75Å; A273-K276 PolarHBondContact O-N 3.37Å; A273-K277 WeakPolarHBondContact O-CB 3.3Å; A273-K277 PolarHBondContact O-N 2.99Å |
| 274 | E | 72.3 | Confident | 64.9 | Low | 129 Ų | 129 | 94.1 Ų | 94.1 | 60% | 0.603 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -41.8 | 177.4 | -160.1 | 109.9 | -146.1 | 0 | 0 | 111.7 | A270 I271 K277 L278 | A270-E274 PolarHBondContact O-N 3.48Å; A270-E274 VanDerWaalsContact O-N 3.09Å; I271-E274 PolarHBondContact O-N 2.84Å; E274-K277 PolarHBondContact O-N 2.8Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.04Å |
| 275 | I | 69.6 | Low | 66.3 | Low | 28 Ų | 28 | 89.8 Ų | 89.8 | 14% | 0.144 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.7 | -71.5 | 172.8 | 0 | 0 | 0 | 110.5 | Q259 I271 K277 L278 Q279 | Q259-I275 HydrophobicContact CG-CD1 4.2Å; I271-I275 HydrophobicContact CG2-CD1 3.61Å; I271-I275 HydrophobicContact CG2-CG1 4.18Å; I271-I275 WeakPolarHBondContact O-CB 3.27Å; I271-I275 VanDerWaalsContact O-CG1 3.23Å; I271-I275 WeakPolarHBondContact O-CG1 3.16Å; I271-I275 PolarHBondContact O-N 2.95Å; I275-K277 VanDerWaalsContact C-N 3.35Å; I275-K277 PolarHBondContact O-N 3.48Å; I275-L278 PolarHBondContact O-N 3.11Å; I275-Q279 HydrophobicContact CG2-CG 4.45Å; I275-Q279 WeakPolarHBondContact O-CG 3.36Å; I275-Q279 PolarHBondContact O-N 3.26Å |
| 276 | K | 77.2 | Confident | 67.8 | Low | 122 Ų | 122 | 90.1 Ų | 90.1 | 53% | 0.53 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.9 | -43.2 | 179.2 | -171.2 | 175.7 | 178.9 | -179.2 | 0 | 111.6 | V272 A273 L278 Q279 E280 | V272-K276 VanDerWaalsContact O-CB 3.26Å; V272-K276 WeakPolarHBondContact O-CB 3.22Å; V272-K276 PolarHBondContact O-N 3.03Å; A273-K276 PolarHBondContact O-N 3.37Å; K276-L278 VanDerWaalsContact C-N 3.3Å; K276-L278 PolarHBondContact O-N 2.9Å; K276-Q279 PolarHBondContact O-N 3.38Å; K276-E280 WeakPolarHBondContact CE-OE1 3.31Å; K276-E280 WeakPolarHBondContact O-CG 3.33Å; K276-E280 PolarHBondContact O-N 3.06Å |
| 277 | K | 79.5 | Confident | 69.7 | Low | 119 Ų | 119 | 89.3 Ų | 89.3 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 175.5 | -173.3 | -178.3 | 177.7 | -173.9 | 0 | 112.3 | A273 E274 I275 Q281 | A273-K277 WeakPolarHBondContact O-CB 3.3Å; A273-K277 PolarHBondContact O-N 2.99Å; E274-K277 PolarHBondContact O-N 2.8Å; I275-K277 VanDerWaalsContact C-N 3.35Å; I275-K277 PolarHBondContact O-N 3.48Å; K277-Q281 VanDerWaalsContact O-CG 3.31Å; K277-Q281 WeakPolarHBondContact O-CG 3.48Å; K277-Q281 PolarHBondContact O-N 2.75Å; K277-Q281 VanDerWaalsContact O-N 3.11Å |
| 278 | L | 75.7 | Confident | 71.3 | Confident | 47 Ų | 47 | 89.1 Ų | 89.1 | 25% | 0.246 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -72.3 | -37.1 | 177.5 | -75.2 | 164.5 | 0 | 0 | 0 | 112.6 | L255 L258 E274 I275 K276 Q281 I282 | L255-L278 HydrophobicContact CD2-CB 4.41Å; L258-L278 HydrophobicContact CD1-CD1 3.28Å; E274-L278 WeakPolarHBondContact O-CG 3.31Å; E274-L278 PolarHBondContact O-N 3.04Å; I275-L278 PolarHBondContact O-N 3.11Å; K276-L278 VanDerWaalsContact C-N 3.3Å; K276-L278 PolarHBondContact O-N 2.9Å; L278-Q281 PolarHBondContact O-N 2.71Å; L278-I282 WeakPolarHBondContact O-CG1 3.47Å; L278-I282 PolarHBondContact O-N 2.65Å |
| 279 | Q | 76.9 | Confident | 72.6 | Confident | 82 Ų | 82 | 88.3 Ų | 88.3 | 38% | 0.383 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.8 | -76.3 | 175.9 | -38.6 | 0 | 0 | 111 | I275 K276 Q281 I282 E283 | I275-Q279 HydrophobicContact CG2-CG 4.45Å; I275-Q279 WeakPolarHBondContact O-CG 3.36Å; I275-Q279 PolarHBondContact O-N 3.26Å; K276-Q279 PolarHBondContact O-N 3.38Å; Q279-Q281 VanDerWaalsContact C-N 3.28Å; Q279-Q281 PolarHBondContact O-N 3.48Å; Q279-I282 PolarHBondContact O-N 3.22Å; Q279-I282 VanDerWaalsContact O-N 3.16Å; Q279-E283 WeakPolarHBondContact O-CG 3.48Å; Q279-E283 PolarHBondContact O-N 3.21Å |
| 280 | E | 83.2 | Confident | 73.9 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 175.3 | -71 | 168.9 | -173.6 | 0 | 0 | 112 | K276 S284 | K276-E280 WeakPolarHBondContact CE-OE1 3.31Å; K276-E280 WeakPolarHBondContact O-CG 3.33Å; K276-E280 PolarHBondContact O-N 3.06Å; E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 3.15Å |
| 281 | Q | 81.7 | Confident | 74.8 | Confident | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 175.5 | -74.9 | 177.6 | -9.9 | 0 | 0 | 113 | K277 L278 Q279 A285 | K277-Q281 VanDerWaalsContact O-CG 3.31Å; K277-Q281 WeakPolarHBondContact O-CG 3.48Å; K277-Q281 PolarHBondContact O-N 2.75Å; K277-Q281 VanDerWaalsContact O-N 3.11Å; L278-Q281 PolarHBondContact O-N 2.71Å; Q279-Q281 VanDerWaalsContact C-N 3.28Å; Q279-Q281 PolarHBondContact O-N 3.48Å; Q281-A285 WeakPolarHBondContact O-CB 3.46Å; Q281-A285 PolarHBondContact O-N 2.87Å |
| 282 | I | 80.5 | Confident | 75.3 | Confident | 64 Ų | 64 | 90.6 Ų | 90.6 | 33% | 0.328 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -67.8 | -41.6 | 177.3 | -70 | 167.2 | 0 | 0 | 0 | 110.6 | L278 Q279 A285 N286 | L278-I282 WeakPolarHBondContact O-CG1 3.47Å; L278-I282 PolarHBondContact O-N 2.65Å; Q279-I282 PolarHBondContact O-N 3.22Å; Q279-I282 VanDerWaalsContact O-N 3.16Å; I282-A285 PolarHBondContact O-N 3.4Å; I282-N286 WeakPolarHBondContact O-CB 3.47Å; I282-N286 PolarHBondContact O-N 3.26Å; I282-N286 PolarHBondContact O-ND2 2.62Å |
| 283 | E | 80.8 | Confident | 75.6 | Confident | 125 Ų | 125 | 91.5 Ų | 91.5 | 58% | 0.584 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 175.1 | -73.7 | 176.5 | 177.5 | 0 | 0 | 111.2 | Q279 A285 N286 E287 | Q279-E283 WeakPolarHBondContact O-CG 3.48Å; Q279-E283 PolarHBondContact O-N 3.21Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.96Å; E283-N286 PolarHBondContact O-N 3.13Å; E283-E287 WeakPolarHBondContact O-CG 3.19Å; E283-E287 PolarHBondContact O-N 3.02Å |
| 284 | S | 80.5 | Confident | 75.6 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -39.7 | 176.2 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | E280 E287 A288 | E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 3.15Å; S284-E287 PolarHBondContact O-N 2.72Å; S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 2.87Å |
| 285 | A | 78.4 | Confident | 75.4 | Confident | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q281 I282 E283 A288 Q289 | Q281-A285 WeakPolarHBondContact O-CB 3.46Å; Q281-A285 PolarHBondContact O-N 2.87Å; I282-A285 PolarHBondContact O-N 3.4Å; E283-A285 VanDerWaalsContact C-N 3.33Å; E283-A285 PolarHBondContact O-N 2.96Å; A285-A288 PolarHBondContact O-N 3.15Å; A285-Q289 PolarHBondContact O-N 3.07Å |
| 286 | N | 79.7 | Confident | 75.1 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 43% | 0.428 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.3 | -39.1 | 175.9 | -76.8 | -34.5 | 0 | 0 | 0 | 112 | I282 E283 Q289 L290 | I282-N286 WeakPolarHBondContact O-CB 3.47Å; I282-N286 PolarHBondContact O-N 3.26Å; I282-N286 PolarHBondContact O-ND2 2.62Å; E283-N286 PolarHBondContact O-N 3.13Å; N286-Q289 PolarHBondContact O-N 3.35Å; N286-L290 WeakPolarHBondContact O-CB 3.39Å; N286-L290 PolarHBondContact O-N 2.95Å |
| 287 | E | 79.4 | Confident | 75 | Confident | 142 Ų | 142 | 101.8 Ų | 101.8 | 66% | 0.664 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -42.5 | 173.5 | -73.1 | -177.1 | 167.3 | 0 | 0 | 111.9 | E283 S284 Q289 L290 F291 | E283-E287 WeakPolarHBondContact O-CG 3.19Å; E283-E287 PolarHBondContact O-N 3.02Å; S284-E287 PolarHBondContact O-N 2.72Å; E287-Q289 VanDerWaalsContact C-N 3.34Å; E287-Q289 PolarHBondContact O-N 3.45Å; E287-L290 PolarHBondContact O-N 2.86Å; E287-F291 PolarHBondContact O-N 3.18Å |
| 288 | A | 73.1 | Confident | 74.7 | Confident | 51 Ų | 51 | 100.8 Ų | 100.8 | 42% | 0.421 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | S284 A285 F291 I292 | S284-A288 WeakPolarHBondContact O-CB 3.25Å; S284-A288 PolarHBondContact O-N 2.87Å; A285-A288 PolarHBondContact O-N 3.15Å; A288-F291 WeakPolarHBondContact O-CB 3.41Å; A288-F291 PolarHBondContact O-N 3.38Å; A288-I292 WeakPolarHBondContact O-CG1 3.38Å; A288-I292 PolarHBondContact O-N 3.09Å |
| 289 | Q | 74.1 | Confident | 74.7 | Confident | 99 Ų | 99 | 103.8 Ų | 103.8 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 175.6 | -169.8 | 63.1 | 43.6 | 0 | 0 | 111.6 | A285 N286 E287 F291 I292 D293 | A285-Q289 PolarHBondContact O-N 3.07Å; N286-Q289 PolarHBondContact O-N 3.35Å; E287-Q289 VanDerWaalsContact C-N 3.34Å; E287-Q289 PolarHBondContact O-N 3.45Å; Q289-F291 PolarHBondContact O-N 3.03Å; Q289-I292 PolarHBondContact O-N 2.69Å; Q289-D293 PolarHBondContact NE2-OD1 2.75Å; Q289-D293 VanDerWaalsContact NE2-OD1 3.14Å; Q289-D293 PolarHBondContact O-N 2.86Å |
| 290 | L | 72.6 | Confident | 74.6 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.4 | -31.6 | 176.5 | -159.3 | 93.1 | 0 | 0 | 0 | 112.3 | N286 E287 K294 | N286-L290 WeakPolarHBondContact O-CB 3.39Å; N286-L290 PolarHBondContact O-N 2.95Å; E287-L290 PolarHBondContact O-N 2.86Å; L290-K294 WeakPolarHBondContact O-CG 2.99Å; L290-K294 PolarHBondContact O-N 3.23Å |
| 291 | F | 67.5 | Low | 74 | Confident | 144 Ų | 144 | 105.1 Ų | 105.1 | 63% | 0.632 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -71.1 | -42.3 | 174.6 | -175.3 | -94.3 | 0 | 0 | 0 | 112 | E287 A288 Q289 K294 T295 | E287-F291 PolarHBondContact O-N 3.18Å; A288-F291 WeakPolarHBondContact O-CB 3.41Å; A288-F291 PolarHBondContact O-N 3.38Å; Q289-F291 PolarHBondContact O-N 3.03Å; F291-K294 PolarHBondContact O-N 3.38Å; F291-T295 PolarHBondContact O-N 2.85Å; F291-T295 PolarHBondContact O-OG1 3.44Å |
| 292 | I | 66.3 | Low | 73.5 | Confident | 81 Ų | 81 | 104.9 Ų | 104.9 | 42% | 0.415 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.7 | -47.2 | 175.4 | -68.2 | 167.3 | 0 | 0 | 0 | 110.3 | A288 Q289 K294 T295 L296 | A288-I292 WeakPolarHBondContact O-CG1 3.38Å; A288-I292 PolarHBondContact O-N 3.09Å; Q289-I292 PolarHBondContact O-N 2.69Å; I292-K294 PolarHBondContact O-N 3.37Å; I292-T295 PolarHBondContact O-N 3.14Å; I292-L296 HydrophobicContact CG2-CD1 4Å; I292-L296 PolarHBondContact O-N 2.84Å |
| 293 | D | 68.9 | Low | 73 | Confident | 100 Ų | 100 | 107.9 Ų | 107.9 | 54% | 0.535 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.1 | -19.6 | -178.6 | -66.9 | -6.9 | 0 | 0 | 0 | 113.4 | Q289 | Q289-D293 PolarHBondContact NE2-OD1 2.75Å; Q289-D293 VanDerWaalsContact NE2-OD1 3.14Å; Q289-D293 PolarHBondContact O-N 2.86Å |
| 294 | K | 69.6 | Low | 72.4 | Confident | 161 Ų | 161 | 106.5 Ų | 106.5 | 70% | 0.7 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -88.8 | -17 | 173.4 | -77.3 | 179.7 | -179.6 | 178.1 | 0 | 113.8 | L290 F291 I292 | L290-K294 WeakPolarHBondContact O-CG 2.99Å; L290-K294 PolarHBondContact O-N 3.23Å; F291-K294 PolarHBondContact O-N 3.38Å; I292-K294 PolarHBondContact O-N 3.37Å |
| 295 | T | 68.8 | Low | 71.7 | Confident | 98 Ų | 98 | 109.4 Ų | 109.4 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -96.3 | -23 | -175 | -51 | 0 | 0 | 0 | 0 | 111.9 | F291 I292 | F291-T295 PolarHBondContact O-N 2.85Å; F291-T295 PolarHBondContact O-OG1 3.44Å; I292-T295 PolarHBondContact O-N 3.14Å |
| 296 | L | 62.5 | Low | 71.1 | Confident | 195 Ų | 195 | 114.1 Ų | 114.1 | 100% | 1.021 | 58% | 0.584 | S | S | * | * | trans | -89.8 | 0 | 171.6 | -67.2 | 172.7 | 0 | 0 | 0 | 111.4 | I292 | I292-L296 HydrophobicContact CG2-CD1 4Å; I292-L296 PolarHBondContact O-N 2.84Å |
Retrieved 296 of 296 residues in 479.4 ms
(Link to these results)