| 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 | 40 | Very low | 59.8 | Low | 203 Ų | 203 | 116.2 Ų | 116.2 | 100% | 1 | 58% | 0.582 | S | S | * | * | 0 | -37.3 | 0 | -73.3 | -151.8 | -102.8 | 0 | 0 | 114.9 | Q3 L4 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 2.86Å; M1-L4 PolarHBondContact O-N 3.35Å | |||
| 2 | R | 35.7 | Very low | 60.9 | Low | 204 Ų | 204 | 109.8 Ų | 109.8 | 77% | 0.77 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -22.5 | -179.5 | -73.1 | -177.4 | 176.3 | 175.1 | -1.3 | 116.2 | ||
| 3 | Q | 43.6 | Very low | 62 | Low | 190 Ų | 190 | 101.8 Ų | 101.8 | 89% | 0.888 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.6 | 179.4 | -71.3 | 178.2 | -14.5 | 0 | 0 | 114.3 | M1 | M1-Q3 VanDerWaalsContact C-N 3.28Å; M1-Q3 PolarHBondContact O-N 2.86Å |
| 4 | L | 48.9 | Very low | 63.1 | Low | 150 Ų | 150 | 98.1 Ų | 98.1 | 79% | 0.785 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -99.5 | 0.7 | -176.3 | -66.5 | 170.5 | 0 | 0 | 0 | 113.5 | M1 | M1-L4 PolarHBondContact O-N 3.35Š|
| 5 | L | 57.6 | Low | 64 | Low | 64 Ų | 64 | 96.9 Ų | 96.9 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -109.5 | 134.1 | -173.9 | -58.7 | 177.2 | 0 | 0 | 0 | 109.2 | L9 R10 | L5-L9 HydrophobicContact CB-CB 4.29Å; L5-L9 HydrophobicContact CB-CD2 3.84Å; L5-L9 HydrophobicContact CB-CG 4.49Å; L5-L9 HydrophobicContact CD1-CD2 3.56Å; L5-L9 HydrophobicContact CD2-CD1 3.96Å; L5-L9 HydrophobicContact CD2-CD2 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.36Å; L5-L9 HydrophobicContact CG-CD2 3.81Å; L5-R10 PolarHBondContact O-NH2 3.29Å |
| 6 | S | 67.8 | Low | 64.5 | Low | 49 Ų | 49 | 91.6 Ų | 91.6 | 34% | 0.343 | 48% | 0.483 | S | S | . | . | trans | -56.5 | 154.2 | 175.1 | 81.2 | 0 | 0 | 0 | 0 | 110.2 | E8 L9 R10 | S6-E8 WeakPolarHBondContact CB-OE2 3.48Å; S6-E8 PolarHBondContact O-N 3.19Å; S6-E8 VanDerWaalsContact O-N 3.16Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; S6-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact OG-N 3.29Å; S6-R10 PolarHBondContact O-N 3.12Å | ||
| 7 | P | 72.4 | Confident | 65.1 | Low | 84 Ų | 84 | 90.5 Ų | 90.5 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -49.9 | -39.1 | 176.7 | -26.6 | 35.4 | 0 | 0 | 0 | 112.9 | R10 A11 | P7-R10 PolarHBondContact O-N 3.17Å; P7-A11 WeakPolarHBondContact O-CB 3.33Å; P7-A11 PolarHBondContact O-N 2.97Å |
| 8 | E | 68.8 | Low | 65.8 | Low | 124 Ų | 124 | 91.1 Ų | 91.1 | 58% | 0.579 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.4 | -44.4 | 178.2 | -53.1 | 78.1 | -164.3 | 0 | 0 | 111.9 | S6 R10 A11 S12 | S6-E8 WeakPolarHBondContact CB-OE2 3.48Å; S6-E8 PolarHBondContact O-N 3.19Å; S6-E8 VanDerWaalsContact O-N 3.16Å; S6-E8 PolarHBondContact OG-OE2 3.45Å; E8-R10 VanDerWaalsContact C-N 3.34Å; E8-A11 PolarHBondContact O-N 3.18Å; E8-S12 WeakPolarHBondContact O-CB 3.28Å; E8-S12 PolarHBondContact O-N 2.66Å |
| 9 | L | 71.9 | Confident | 66.5 | Low | 24 Ų | 24 | 88.3 Ų | 88.3 | 13% | 0.126 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -68 | -38.1 | 179.7 | -163.6 | 162.7 | 0 | 0 | 0 | 110.8 | L5 S6 S12 V13 L30 F34 | L5-L9 HydrophobicContact CB-CB 4.29Å; L5-L9 HydrophobicContact CB-CD2 3.84Å; L5-L9 HydrophobicContact CB-CG 4.49Å; L5-L9 HydrophobicContact CD1-CD2 3.56Å; L5-L9 HydrophobicContact CD2-CD1 3.96Å; L5-L9 HydrophobicContact CD2-CD2 3.62Å; L5-L9 HydrophobicContact CD2-CG 4.36Å; L5-L9 HydrophobicContact CG-CD2 3.81Å; S6-L9 PolarHBondContact O-N 3.36Å; S6-L9 PolarHBondContact OG-N 3.29Å; L9-S12 PolarHBondContact O-N 3.09Å; L9-V13 HydrophobicContact CD2-CG2 3.82Å; L9-V13 WeakPolarHBondContact O-CB 3.38Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3Å; L9-V13 PolarHBondContact O-N 3.01Å; L9-L30 HydrophobicContact CD1-CD2 3.97Å; L9-L30 HydrophobicContact CD2-CD2 3.53Å; L9-L30 HydrophobicContact CG-CD2 3.74Å; L9-F34 HydrophobicContact CB-CE1 4.09Å; L9-F34 HydrophobicContact CB-CE2 4.15Å; L9-F34 HydrophobicContact CB-CZ 3.76Å; L9-F34 HydrophobicContact CD1-CD1 4.13Å; L9-F34 HydrophobicContact CD1-CD2 4.07Å; L9-F34 HydrophobicContact CD1-CE1 4.28Å; L9-F34 HydrophobicContact CD1-CE2 4.24Å; L9-F34 HydrophobicContact CD1-CG 4.02Å; L9-F34 HydrophobicContact CD1-CZ 4.34Å; L9-F34 HydrophobicContact CG-CD2 4.04Å; L9-F34 HydrophobicContact CG-CE1 4.28Å; L9-F34 HydrophobicContact CG-CE2 3.75Å; L9-F34 HydrophobicContact CG-CG 4.43Å; L9-F34 HydrophobicContact CG-CZ 3.88Å |
| 10 | R | 74.1 | Confident | 67.3 | Low | 114 Ų | 114 | 88.5 Ų | 88.5 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.5 | -165.8 | -176.5 | -46.3 | 103.4 | 11.3 | 111.4 | L5 S6 P7 E8 V13 A14 | L5-R10 PolarHBondContact O-NH2 3.29Å; S6-R10 PolarHBondContact O-N 3.12Å; P7-R10 PolarHBondContact O-N 3.17Å; E8-R10 VanDerWaalsContact C-N 3.34Å; R10-V13 PolarHBondContact O-N 3.11Å; R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 2.93Å |
| 11 | A | 77.1 | Confident | 68 | Low | 72 Ų | 72 | 91.3 Ų | 91.3 | 60% | 0.595 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -41 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | P7 E8 P15 | P7-A11 WeakPolarHBondContact O-CB 3.33Å; P7-A11 PolarHBondContact O-N 2.97Å; E8-A11 PolarHBondContact O-N 3.18Å; A11-P15 WeakPolarHBondContact O-CD 3.33Å |
| 12 | S | 72.6 | Confident | 70 | Confident | 39 Ų | 39 | 85.3 Ų | 85.3 | 27% | 0.273 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 179.1 | 171.6 | 0 | 0 | 0 | 0 | 113.1 | E8 L9 L33 | E8-S12 WeakPolarHBondContact O-CB 3.28Å; E8-S12 PolarHBondContact O-N 2.66Å; L9-S12 PolarHBondContact O-N 3.09Å; S12-L33 WeakPolarHBondContact OG-CD1 3.44Å |
| 13 | V | 75.4 | Confident | 72.2 | Confident | 6 Ų | 6 | 81.6 Ų | 81.6 | 4% | 0.036 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -100.3 | -21.7 | -170.9 | -172.4 | 0 | 0 | 0 | 0 | 112.5 | L9 R10 S16 L17 A26 L30 | L9-V13 HydrophobicContact CD2-CG2 3.82Å; L9-V13 WeakPolarHBondContact O-CB 3.38Å; L9-V13 VanDerWaalsContact O-CG2 3.31Å; L9-V13 WeakPolarHBondContact O-CG2 3Å; L9-V13 PolarHBondContact O-N 3.01Å; R10-V13 PolarHBondContact O-N 3.11Å; V13-S16 CarbonylContact O-C 3.57Å; V13-S16 PolarHBondContact O-N 3.46Å; V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 HydrophobicContact CG1-CD2 3.96Å; V13-L17 HydrophobicContact CG1-CG 3.8Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.97Å; V13-L17 VanDerWaalsContact O-N 3.16Å; V13-A26 HydrophobicContact CG1-CB 3.97Å; V13-L30 HydrophobicContact CG1-CD1 4.41Å; V13-L30 HydrophobicContact CG2-CD1 4.17Å; V13-L30 HydrophobicContact CG2-CD2 3.51Å; V13-L30 HydrophobicContact CG2-CG 3.67Å |
| 14 | A | 78 | Confident | 74.2 | Confident | 51 Ų | 51 | 74.3 Ų | 74.3 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -45.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R10 S16 L17 | R10-A14 WeakPolarHBondContact O-CB 3.32Å; R10-A14 PolarHBondContact O-N 2.93Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 3.23Å; A14-L17 PolarHBondContact O-N 2.92Å |
| 15 | P | 76.9 | Confident | 75.8 | Confident | 80 Ų | 80 | 70.5 Ų | 70.5 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -60.3 | -41.2 | 177.3 | -23.3 | 34.7 | 0 | 0 | 0 | 112.1 | A11 L17 S18 | A11-P15 WeakPolarHBondContact O-CD 3.33Å; P15-L17 VanDerWaalsContact C-N 3.28Å; P15-L17 PolarHBondContact O-N 3.36Å; P15-S18 WeakPolarHBondContact O-CB 3.48Å; P15-S18 PolarHBondContact O-N 3.12Å; P15-S18 PolarHBondContact O-OG 3.28Å |
| 16 | S | 71.8 | Confident | 77.1 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 8% | 0.077 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -78.3 | -3.3 | -176.6 | -49 | 0 | 0 | 0 | 0 | 114.5 | V13 A14 M22 | V13-S16 CarbonylContact O-C 3.57Å; V13-S16 PolarHBondContact O-N 3.46Å; A14-S16 VanDerWaalsContact C-N 3.29Å; A14-S16 PolarHBondContact O-N 3.23Å; S16-M22 CarbonylContact O-C 3.58Å; S16-M22 WeakPolarHBondContact O-CB 3.48Å |
| 17 | L | 74.1 | Confident | 77.8 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 38% | 0.382 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -95.3 | 2.8 | 172.8 | -62.2 | 173.1 | 0 | 0 | 0 | 112.8 | V13 A14 P15 Y23 | V13-L17 HydrophobicContact CG1-CD1 3.99Å; V13-L17 HydrophobicContact CG1-CD2 3.96Å; V13-L17 HydrophobicContact CG1-CG 3.8Å; V13-L17 WeakPolarHBondContact O-CG 3.38Å; V13-L17 PolarHBondContact O-N 2.97Å; V13-L17 VanDerWaalsContact O-N 3.16Å; A14-L17 PolarHBondContact O-N 2.92Å; P15-L17 VanDerWaalsContact C-N 3.28Å; P15-L17 PolarHBondContact O-N 3.36Å; L17-Y23 HydrophobicContact CD2-CD1 3.86Å; L17-Y23 HydrophobicContact CD2-CE1 3.6Å |
| 18 | S | 77.1 | Confident | 78.4 | Confident | 101 Ų | 101 | 73 Ų | 73 | 71% | 0.706 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -78.5 | -19.7 | -175.1 | -49.7 | 0 | 0 | 0 | 0 | 113.7 | P15 | P15-S18 WeakPolarHBondContact O-CB 3.48Å; P15-S18 PolarHBondContact O-N 3.12Å; P15-S18 PolarHBondContact O-OG 3.28Å |
| 19 | S | 79.7 | Confident | 78.9 | Confident | 38 Ų | 38 | 69 Ų | 69 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -139.9 | 142.8 | 174.4 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | D21 M22 | S19-D21 PolarHBondContact O-N 3.28Å; S19-D21 PolarHBondContact OG-N 3.16Å; S19-D21 PolarHBondContact OG-OD2 3.18Å; S19-M22 PolarHBondContact O-N 3.34Å |
| 20 | P | 82 | Confident | 79.4 | Confident | 92 Ų | 92 | 70.2 Ų | 70.2 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -53.6 | -32.1 | 172.9 | -26.2 | 35.1 | 0 | 0 | 0 | 114.7 | M22 Y23 | P20-M22 PolarHBondContact O-N 2.83Å; P20-Y23 VanDerWaalsContact CA-CD2 3.41Å; P20-Y23 VanDerWaalsContact CA-CE2 3.41Å; P20-Y23 HydrophobicContact CB-CD2 4.07Å; P20-Y23 HydrophobicContact CB-CE2 3.86Å; P20-Y23 HydrophobicContact CG-CE2 4.35Å; P20-Y23 WeakPolarHBondContact O-CB 3.38Å; P20-Y23 WeakPolarHBondContact O-CD2 3.36Å; P20-Y23 PolarHBondContact O-N 3.07Å |
| 21 | D | 83 | Confident | 79.7 | Confident | 149 Ų | 149 | 71.3 Ų | 71.3 | 80% | 0.797 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -65.9 | -23.4 | 179.8 | -57 | -43.9 | 0 | 0 | 0 | 112.5 | S19 | S19-D21 PolarHBondContact O-N 3.28Å; S19-D21 PolarHBondContact OG-N 3.16Å; S19-D21 PolarHBondContact OG-OD2 3.18Å |
| 22 | M | 82.3 | Confident | 79.8 | Confident | 76 Ų | 76 | 77.7 Ų | 77.7 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -87 | -7.5 | -179.4 | -63.5 | -166.3 | 78.4 | 0 | 0 | 113.4 | S16 S19 P20 G24 Q25 A26 | S16-M22 CarbonylContact O-C 3.58Å; S16-M22 WeakPolarHBondContact O-CB 3.48Å; S19-M22 PolarHBondContact O-N 3.34Å; P20-M22 PolarHBondContact O-N 2.83Å; M22-G24 VanDerWaalsContact C-N 3.28Å; M22-G24 PolarHBondContact O-N 3.01Å; M22-Q25 PolarHBondContact O-N 3Å; M22-Q25 VanDerWaalsContact O-N 3.08Å; M22-A26 PolarHBondContact O-N 3.08Å |
| 23 | Y | 82.2 | Confident | 79.9 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 50% | 0.498 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 179.6 | -72.6 | -47.7 | 0 | 0 | 0 | 112.8 | L17 P20 Q25 A26 L27 | L17-Y23 HydrophobicContact CD2-CD1 3.86Å; L17-Y23 HydrophobicContact CD2-CE1 3.6Å; P20-Y23 VanDerWaalsContact CA-CD2 3.41Å; P20-Y23 VanDerWaalsContact CA-CE2 3.41Å; P20-Y23 HydrophobicContact CB-CD2 4.07Å; P20-Y23 HydrophobicContact CB-CE2 3.86Å; P20-Y23 HydrophobicContact CG-CE2 4.35Å; P20-Y23 WeakPolarHBondContact O-CB 3.38Å; P20-Y23 WeakPolarHBondContact O-CD2 3.36Å; P20-Y23 PolarHBondContact O-N 3.07Å; Y23-Q25 VanDerWaalsContact C-N 3.33Å; Y23-Q25 PolarHBondContact O-N 3.16Å; Y23-A26 WeakPolarHBondContact O-CB 3.2Å; Y23-A26 PolarHBondContact O-N 3.2Å; Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 PolarHBondContact O-N 2.83Å |
| 24 | G | 84.8 | Confident | 79.6 | Confident | 37 Ų | 37 | 83.3 Ų | 83.3 | 38% | 0.381 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | M22 R28 | M22-G24 VanDerWaalsContact C-N 3.28Å; M22-G24 PolarHBondContact O-N 3.01Å; G24-R28 WeakPolarHBondContact O-CG 3.39Å; G24-R28 PolarHBondContact O-N 3.24Å; G24-R28 VanDerWaalsContact O-N 3.12Å |
| 25 | Q | 82.9 | Confident | 79.4 | Confident | 70 Ų | 70 | 82 Ų | 82 | 33% | 0.327 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.7 | -45.1 | 175.9 | -172.5 | 57.1 | 41.4 | 0 | 0 | 111.2 | M22 Y23 L27 R28 D29 | M22-Q25 PolarHBondContact O-N 3Å; M22-Q25 VanDerWaalsContact O-N 3.08Å; Y23-Q25 VanDerWaalsContact C-N 3.33Å; Y23-Q25 PolarHBondContact O-N 3.16Å; Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 PolarHBondContact O-N 3.23Å; Q25-R28 WeakPolarHBondContact O-CB 3.37Å; Q25-R28 PolarHBondContact O-N 2.77Å; Q25-R28 VanDerWaalsContact OE1-NE 3.14Å; Q25-D29 PolarHBondContact NE2-OD1 2.86Å; Q25-D29 PolarHBondContact NE2-OD2 3.34Å; Q25-D29 PolarHBondContact O-N 2.78Å |
| 26 | A | 83.7 | Confident | 79.3 | Confident | 4 Ų | 4 | 80.4 Ų | 80.4 | 3% | 0.033 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -52.1 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V13 M22 Y23 D29 L30 | V13-A26 HydrophobicContact CG1-CB 3.97Å; M22-A26 PolarHBondContact O-N 3.08Å; Y23-A26 WeakPolarHBondContact O-CB 3.2Å; Y23-A26 PolarHBondContact O-N 3.2Å; A26-D29 PolarHBondContact O-N 3.37Å; A26-L30 VanDerWaalsContact O-CB 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.13Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 3.46Å |
| 27 | L | 83.6 | Confident | 79.6 | Confident | 96 Ų | 96 | 84 Ų | 84 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -68.6 | -37.5 | 179.1 | -172.9 | 63.5 | 0 | 0 | 0 | 112.5 | Y23 Q25 K31 | Y23-L27 WeakPolarHBondContact O-CB 3.38Å; Y23-L27 PolarHBondContact O-N 2.83Å; Q25-L27 VanDerWaalsContact C-N 3.26Å; Q25-L27 PolarHBondContact O-N 3.23Å; L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.24Å |
| 28 | R | 83.7 | Confident | 79.9 | Confident | 149 Ų | 149 | 85.3 Ų | 85.3 | 56% | 0.562 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 174.2 | -76.8 | -171.4 | -67.8 | -99.1 | 4.4 | 111.2 | G24 Q25 K31 R32 | G24-R28 WeakPolarHBondContact O-CG 3.39Å; G24-R28 PolarHBondContact O-N 3.24Å; G24-R28 VanDerWaalsContact O-N 3.12Å; Q25-R28 WeakPolarHBondContact O-CB 3.37Å; Q25-R28 PolarHBondContact O-N 2.77Å; Q25-R28 VanDerWaalsContact OE1-NE 3.14Å; R28-K31 PolarHBondContact O-N 3.01Å; R28-R32 WeakPolarHBondContact O-CB 3.46Å; R28-R32 PolarHBondContact O-N 2.97Å |
| 29 | D | 81.3 | Confident | 80.1 | Confident | 39 Ų | 39 | 83.9 Ų | 83.9 | 21% | 0.209 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 178.7 | -65.3 | -26.8 | 0 | 0 | 0 | 110.8 | Q25 A26 K31 R32 L33 | Q25-D29 PolarHBondContact NE2-OD1 2.86Å; Q25-D29 PolarHBondContact NE2-OD2 3.34Å; Q25-D29 PolarHBondContact O-N 2.78Å; A26-D29 PolarHBondContact O-N 3.37Å; D29-K31 PolarHBondContact O-N 3.47Å; D29-R32 PolarHBondContact O-N 2.76Å; D29-L33 HydrophobicContact CB-CD1 4.49Å; D29-L33 VanDerWaalsContact O-CB 3.25Å; D29-L33 WeakPolarHBondContact O-CB 3.36Å; D29-L33 VanDerWaalsContact O-CG 3.28Å; D29-L33 WeakPolarHBondContact O-CG 3.18Å; D29-L33 PolarHBondContact O-N 3.3Å |
| 30 | L | 81.3 | Confident | 80.2 | Confident | 50 Ų | 50 | 83.2 Ų | 83.2 | 26% | 0.262 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.9 | -48 | 172.5 | -81.7 | 171.6 | 0 | 0 | 0 | 112.5 | L9 V13 A26 F34 G35 | L9-L30 HydrophobicContact CD1-CD2 3.97Å; L9-L30 HydrophobicContact CD2-CD2 3.53Å; L9-L30 HydrophobicContact CG-CD2 3.74Å; V13-L30 HydrophobicContact CG1-CD1 4.41Å; V13-L30 HydrophobicContact CG2-CD1 4.17Å; V13-L30 HydrophobicContact CG2-CD2 3.51Å; V13-L30 HydrophobicContact CG2-CG 3.67Å; A26-L30 VanDerWaalsContact O-CB 3.27Å; A26-L30 WeakPolarHBondContact O-CB 3.13Å; A26-L30 WeakPolarHBondContact O-CG 3.24Å; A26-L30 PolarHBondContact O-N 3.46Å; L30-F34 HydrophobicContact CD2-CD2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 4.39Å; L30-F34 WeakPolarHBondContact O-CA 2.98Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 2.91Å; L30-G35 PolarHBondContact O-N 3.3Å |
| 31 | K | 80.6 | Confident | 80.4 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.8 | -40.4 | 177.6 | -75.8 | 177.6 | -179.1 | -178.7 | 0 | 111.9 | L27 R28 D29 G35 | L27-K31 WeakPolarHBondContact O-CB 3.42Å; L27-K31 WeakPolarHBondContact O-CG 3.49Å; L27-K31 PolarHBondContact O-N 3.24Å; R28-K31 PolarHBondContact O-N 3.01Å; D29-K31 PolarHBondContact O-N 3.47Å; K31-G35 CarbonylContact O-C 3.46Å; K31-G35 WeakPolarHBondContact O-CA 3.41Å; K31-G35 PolarHBondContact O-N 3.5Å |
| 32 | R | 78.3 | Confident | 80.5 | Confident | 206 Ų | 206 | 73.8 Ų | 73.8 | 78% | 0.777 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.5 | -45.2 | -179.2 | -176 | -179.4 | 177.2 | -168.9 | -0.2 | 112.1 | R28 D29 | R28-R32 WeakPolarHBondContact O-CB 3.46Å; R28-R32 PolarHBondContact O-N 2.97Å; D29-R32 PolarHBondContact O-N 2.76Å |
| 33 | L | 74.9 | Confident | 80.6 | Confident | 97 Ų | 97 | 72.1 Ų | 72.1 | 51% | 0.508 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -84.3 | -38.6 | -174 | -64.3 | 173.6 | 0 | 0 | 0 | 112.4 | S12 D29 | S12-L33 WeakPolarHBondContact OG-CD1 3.44Å; D29-L33 HydrophobicContact CB-CD1 4.49Å; D29-L33 VanDerWaalsContact O-CB 3.25Å; D29-L33 WeakPolarHBondContact O-CB 3.36Å; D29-L33 VanDerWaalsContact O-CG 3.28Å; D29-L33 WeakPolarHBondContact O-CG 3.18Å; D29-L33 PolarHBondContact O-N 3.3Å |
| 34 | F | 70.5 | Confident | 80.9 | Confident | 65 Ų | 65 | 66.6 Ų | 66.6 | 29% | 0.285 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -120.5 | -9.6 | -171.9 | -55.7 | -83.5 | 0 | 0 | 0 | 113.8 | L9 L30 V40 | L9-F34 HydrophobicContact CB-CE1 4.09Å; L9-F34 HydrophobicContact CB-CE2 4.15Å; L9-F34 HydrophobicContact CB-CZ 3.76Å; L9-F34 HydrophobicContact CD1-CD1 4.13Å; L9-F34 HydrophobicContact CD1-CD2 4.07Å; L9-F34 HydrophobicContact CD1-CE1 4.28Å; L9-F34 HydrophobicContact CD1-CE2 4.24Å; L9-F34 HydrophobicContact CD1-CG 4.02Å; L9-F34 HydrophobicContact CD1-CZ 4.34Å; L9-F34 HydrophobicContact CG-CD2 4.04Å; L9-F34 HydrophobicContact CG-CE1 4.28Å; L9-F34 HydrophobicContact CG-CE2 3.75Å; L9-F34 HydrophobicContact CG-CG 4.43Å; L9-F34 HydrophobicContact CG-CZ 3.88Å; L30-F34 HydrophobicContact CD2-CD2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 4.39Å; L30-F34 WeakPolarHBondContact O-CA 2.98Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 2.91Å; F34-V40 WeakPolarHBondContact O-CG2 3.47Å |
| 35 | G | 72.7 | Confident | 81 | Confident | 25 Ų | 25 | 66.6 Ų | 66.6 | 26% | 0.258 | 35% | 0.354 | S | S | . | . | trans | -88.7 | 0.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | L30 K31 | L30-G35 PolarHBondContact O-N 3.3Å; K31-G35 CarbonylContact O-C 3.46Å; K31-G35 WeakPolarHBondContact O-CA 3.41Å; K31-G35 PolarHBondContact O-N 3.5Å | ||
| 36 | S | 75.9 | Confident | 81.2 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | trans | -61.7 | 132.2 | 179.7 | 72.9 | 0 | 0 | 0 | 0 | 110.2 | S38 V39 V40 | S36-S38 PolarHBondContact O-N 3.08Å; S36-V39 PolarHBondContact O-N 2.86Å; S36-V39 VanDerWaalsContact O-N 3.12Å; S36-V39 VanDerWaalsContact OG-CB 3.24Å; S36-V39 WeakPolarHBondContact OG-CB 3.44Å; S36-V39 WeakPolarHBondContact OG-CG2 3.47Å; S36-V40 WeakPolarHBondContact O-CG2 3.48Å; S36-V40 PolarHBondContact O-N 3.21Å; S36-V40 VanDerWaalsContact O-N 3.11Å | ||
| 37 | P | 77.9 | Confident | 81.5 | Confident | 88 Ų | 88 | 74.6 Ų | 74.6 | 57% | 0.571 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54.3 | -41.2 | -175.2 | -29.1 | 35.2 | 0 | 0 | 0 | 112.9 | V40 V41 | P37-V40 PolarHBondContact O-N 3.27Å; P37-V41 WeakPolarHBondContact O-CB 3.4Å; P37-V41 WeakPolarHBondContact O-CG2 3.3Å; P37-V41 PolarHBondContact O-N 3.4Å |
| 38 | S | 79.3 | Confident | 81.8 | Confident | 99 Ų | 99 | 70.1 Ų | 70.1 | 69% | 0.692 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.8 | -42.6 | 179.2 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | S36 G42 | S36-S38 PolarHBondContact O-N 3.08Å; S38-G42 PolarHBondContact O-N 3.36Å |
| 39 | V | 81.4 | Confident | 82 | Confident | 71 Ų | 71 | 72 Ų | 72 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66.1 | -42.2 | 178.5 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | S36 A43 | S36-V39 PolarHBondContact O-N 2.86Å; S36-V39 VanDerWaalsContact O-N 3.12Å; S36-V39 VanDerWaalsContact OG-CB 3.24Å; S36-V39 WeakPolarHBondContact OG-CB 3.44Å; S36-V39 WeakPolarHBondContact OG-CG2 3.47Å; V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.4Å; V39-A43 PolarHBondContact O-N 3.33Å |
| 40 | V | 83 | Confident | 82.5 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 15% | 0.152 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -65.2 | -47.2 | 178.6 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | F34 S36 P37 A43 C44 V75 | F34-V40 WeakPolarHBondContact O-CG2 3.47Å; S36-V40 WeakPolarHBondContact O-CG2 3.48Å; S36-V40 PolarHBondContact O-N 3.21Å; S36-V40 VanDerWaalsContact O-N 3.11Å; P37-V40 PolarHBondContact O-N 3.27Å; V40-A43 PolarHBondContact O-N 3.12Å; V40-C44 PolarHBondContact O-N 3.18Å; V40-C44 PolarHBondContact O-SG 3.39Å; V40-V75 HydrophobicContact CG1-CG1 3.55Å |
| 41 | V | 84.6 | Confident | 82.8 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 13% | 0.127 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 177.7 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | P37 A43 C44 I45 L76 C81 E84 | P37-V41 WeakPolarHBondContact O-CB 3.4Å; P37-V41 WeakPolarHBondContact O-CG2 3.3Å; P37-V41 PolarHBondContact O-N 3.4Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.43Å; V41-C44 WeakPolarHBondContact O-CB 3.25Å; V41-C44 PolarHBondContact O-N 3.24Å; V41-C44 VanDerWaalsContact O-N 3.09Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.35Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.34Å; V41-L76 HydrophobicContact CB-CD2 4.41Å; V41-L76 HydrophobicContact CG1-CD2 4.18Å; V41-L76 HydrophobicContact CG2-CD2 4.13Å; V41-C81 HydrophobicContact CG2-CB 4.32Å; V41-C81 WeakPolarHBondContact CG2-SG 3.46Å; V41-E84 HydrophobicContact CG1-CG 4.08Å |
| 42 | G | 85 | Confident | 83.2 | Confident | 21 Ų | 21 | 70.9 Ų | 70.9 | 22% | 0.216 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.6 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | S38 R46 | S38-G42 PolarHBondContact O-N 3.36Å; G42-R46 WeakPolarHBondContact O-CB 3.37Å; G42-R46 WeakPolarHBondContact O-CG 3.32Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NH1 3.11Å |
| 43 | A | 86 | Confident | 83.7 | Confident | 41 Ų | 41 | 64.3 Ų | 64.3 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.1 | -41 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V39 V40 V41 R46 K47 | V39-A43 VanDerWaalsContact O-CB 3.3Å; V39-A43 WeakPolarHBondContact O-CB 3.4Å; V39-A43 PolarHBondContact O-N 3.33Å; V40-A43 PolarHBondContact O-N 3.12Å; V41-A43 VanDerWaalsContact C-N 3.29Å; V41-A43 PolarHBondContact O-N 3.43Å; A43-R46 PolarHBondContact O-N 3.47Å; A43-K47 WeakPolarHBondContact O-CB 3.3Å; A43-K47 PolarHBondContact O-N 2.71Å |
| 44 | C | 87.3 | Confident | 84.2 | Confident | 12 Ų | 12 | 60 Ų | 60 | 8% | 0.081 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -49.2 | 175.4 | -67.6 | 0 | 0 | 0 | 0 | 111.4 | V40 V41 R46 K47 L48 T72 L76 | V40-C44 PolarHBondContact O-N 3.18Å; V40-C44 PolarHBondContact O-SG 3.39Å; V41-C44 WeakPolarHBondContact O-CB 3.25Å; V41-C44 PolarHBondContact O-N 3.24Å; V41-C44 VanDerWaalsContact O-N 3.09Å; C44-R46 VanDerWaalsContact C-N 3.33Å; C44-R46 PolarHBondContact O-N 2.94Å; C44-K47 CarbonylContact O-C 3.58Å; C44-K47 WeakPolarHBondContact O-CA 3.32Å; C44-K47 WeakPolarHBondContact O-CB 3.34Å; C44-K47 PolarHBondContact O-N 2.8Å; C44-K47 VanDerWaalsContact O-N 3.08Å; C44-L48 WeakPolarHBondContact O-CG 3.48Å; C44-L48 PolarHBondContact O-N 3.39Å; C44-T72 HydrophobicContact CB-CG2 3.62Å; C44-L76 HydrophobicContact CB-CD1 4.26Å; C44-L76 HydrophobicContact CB-CD2 3.74Å; C44-L76 HydrophobicContact CB-CG 3.94Å |
| 45 | I | 87 | Confident | 84.8 | Confident | 37 Ų | 37 | 61.9 Ų | 61.9 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.5 | -44.8 | 177.7 | -64.1 | 165 | 0 | 0 | 0 | 110.6 | V41 K47 L48 R49 E84 | V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.35Å; V41-I45 WeakPolarHBondContact O-CG1 3.34Å; V41-I45 PolarHBondContact O-N 3.34Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 3.35Å; I45-L48 PolarHBondContact O-N 3.15Å; I45-R49 HydrophobicContact CG2-CG 4.49Å; I45-R49 VanDerWaalsContact O-CG 3.32Å; I45-R49 WeakPolarHBondContact O-CG 3.45Å; I45-R49 PolarHBondContact O-N 2.95Å; I45-E84 HydrophobicContact CD1-CG 4.02Å; I45-E84 WeakPolarHBondContact CD1-OE1 3.14Å; I45-E84 WeakPolarHBondContact CD1-OE2 3.28Å; I45-E84 HydrophobicContact CG1-CG 4.39Å |
| 46 | R | 87.7 | Confident | 84.9 | Confident | 149 Ų | 149 | 64.8 Ų | 64.8 | 56% | 0.562 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.8 | -44.1 | 174.5 | -76.8 | -169.2 | -57 | -88 | 3.3 | 111.4 | G42 A43 C44 R49 T50 | G42-R46 WeakPolarHBondContact O-CB 3.37Å; G42-R46 WeakPolarHBondContact O-CG 3.32Å; G42-R46 PolarHBondContact O-N 3.29Å; G42-R46 PolarHBondContact O-NH1 3.11Å; A43-R46 PolarHBondContact O-N 3.47Å; C44-R46 VanDerWaalsContact C-N 3.33Å; C44-R46 PolarHBondContact O-N 2.94Å; R46-R49 PolarHBondContact O-N 2.88Å; R46-T50 WeakPolarHBondContact O-CB 3.48Å; R46-T50 WeakPolarHBondContact O-CG2 3.26Å; R46-T50 PolarHBondContact O-N 3.47Å; R46-T50 PolarHBondContact O-OG1 3.24Å |
| 47 | K | 89.2 | Confident | 84.7 | Confident | 93 Ų | 93 | 74.6 Ų | 74.6 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 177.1 | -172 | 169.5 | 176.2 | -171.8 | 0 | 111.1 | A43 C44 I45 R49 T50 I51 T72 | A43-K47 WeakPolarHBondContact O-CB 3.3Å; A43-K47 PolarHBondContact O-N 2.71Å; C44-K47 CarbonylContact O-C 3.58Å; C44-K47 WeakPolarHBondContact O-CA 3.32Å; C44-K47 WeakPolarHBondContact O-CB 3.34Å; C44-K47 PolarHBondContact O-N 2.8Å; C44-K47 VanDerWaalsContact O-N 3.08Å; I45-K47 VanDerWaalsContact C-N 3.31Å; I45-K47 PolarHBondContact O-N 3.35Å; K47-R49 VanDerWaalsContact C-N 3.27Å; K47-R49 PolarHBondContact O-N 3.03Å; K47-T50 CarbonylContact O-C 3.57Å; K47-T50 PolarHBondContact O-N 3.37Å; K47-T50 PolarHBondContact O-OG1 3.45Å; K47-I51 WeakPolarHBondContact O-CG1 3.31Å; K47-I51 PolarHBondContact O-N 2.81Å; K47-T72 HydrophobicContact CB-CG2 4.38Å; K47-T72 WeakPolarHBondContact CD-OG1 3.38Å |
| 48 | L | 90.6 | Very high | 84.8 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -54.8 | -41 | 175.5 | -66.7 | -179.5 | 0 | 0 | 0 | 112.7 | C44 I45 I51 L69 T72 L73 L76 T90 V94 K97 L120 | C44-L48 WeakPolarHBondContact O-CG 3.48Å; C44-L48 PolarHBondContact O-N 3.39Å; I45-L48 PolarHBondContact O-N 3.15Å; L48-I51 HydrophobicContact CD2-CD1 4.07Å; L48-L69 HydrophobicContact CD2-CD1 3.42Å; L48-L69 VanDerWaalsContact CD2-CD1 3.42Å; L48-T72 HydrophobicContact CD1-CG2 4.44Å; L48-T72 HydrophobicContact CD2-CG2 3.73Å; L48-T72 HydrophobicContact CG-CG2 3.75Å; L48-L73 HydrophobicContact CD1-CD2 4.36Å; L48-L76 HydrophobicContact CD1-CD1 4.12Å; L48-T90 HydrophobicContact CB-CG2 4.29Å; L48-T90 HydrophobicContact CD1-CG2 3.8Å; L48-V94 HydrophobicContact CB-CG2 4.34Å; L48-K97 WeakPolarHBondContact O-CE 3.44Å; L48-L120 HydrophobicContact CD1-CD1 4.27Å |
| 49 | R | 88.4 | Confident | 84.9 | Confident | 187 Ų | 187 | 69.9 Ų | 69.9 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -72.8 | -26.7 | 178.1 | -70.2 | 178.9 | 69.5 | -171.9 | 1.5 | 113.6 | I45 R46 K47 K97 | I45-R49 HydrophobicContact CG2-CG 4.49Å; I45-R49 VanDerWaalsContact O-CG 3.32Å; I45-R49 WeakPolarHBondContact O-CG 3.45Å; I45-R49 PolarHBondContact O-N 2.95Å; R46-R49 PolarHBondContact O-N 2.88Å; K47-R49 VanDerWaalsContact C-N 3.27Å; K47-R49 PolarHBondContact O-N 3.03Å; R49-K97 WeakPolarHBondContact O-CE 3.46Å; R49-K97 PolarHBondContact O-NZ 3.49Å |
| 50 | T | 90.3 | Very high | 85.1 | Confident | 107 Ų | 107 | 76.4 Ų | 76.4 | 66% | 0.656 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -104.7 | 2 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | R46 K47 E52 | R46-T50 WeakPolarHBondContact O-CB 3.48Å; R46-T50 WeakPolarHBondContact O-CG2 3.26Å; R46-T50 PolarHBondContact O-N 3.47Å; R46-T50 PolarHBondContact O-OG1 3.24Å; K47-T50 CarbonylContact O-C 3.57Å; K47-T50 PolarHBondContact O-N 3.37Å; K47-T50 PolarHBondContact O-OG1 3.45Å; T50-E52 PolarHBondContact O-N 3.23Å |
| 51 | I | 89.2 | Confident | 85.3 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 133.7 | 173.8 | -54.4 | -177 | 0 | 0 | 0 | 109.5 | K47 L48 F65 L69 K97 | K47-I51 WeakPolarHBondContact O-CG1 3.31Å; K47-I51 PolarHBondContact O-N 2.81Å; L48-I51 HydrophobicContact CD2-CD1 4.07Å; I51-F65 HydrophobicContact CB-CE2 4.13Å; I51-F65 HydrophobicContact CG2-CD2 3.34Å; I51-F65 HydrophobicContact CG2-CE2 3.4Å; I51-F65 VanDerWaalsContact CG2-CE2 3.4Å; I51-F65 HydrophobicContact CG2-CG 4.18Å; I51-F65 HydrophobicContact CG2-CZ 4.28Å; I51-L69 HydrophobicContact CD1-CB 4.21Å; I51-L69 HydrophobicContact CD1-CD1 4.26Å; I51-K97 HydrophobicContact CB-CD 4.05Å; I51-K97 VanDerWaalsContact O-CD 3.32Å; I51-K97 WeakPolarHBondContact O-CD 3.26Å; I51-K97 WeakPolarHBondContact O-CE 3.39Å; I51-K97 PolarHBondContact O-NZ 3.47Å |
| 52 | E | 87.8 | Confident | 85.5 | Confident | 96 Ų | 96 | 76.4 Ų | 76.4 | 45% | 0.449 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.5 | 179.4 | -165.3 | -170.1 | 134.8 | 0 | 0 | 110.6 | T50 R64 F65 | T50-E52 PolarHBondContact O-N 3.23Å; E52-R64 IonicContact OE1-CZ 3.36Å; E52-R64 IonicContact OE1-NH1 2.86Å; E52-R64 PolarHBondContact OE1-NH1 2.84Å; E52-R64 IonicContact OE1-NH2 3.91Å; E52-R64 PolarHBondContact OE1-NH2 3.11Å; E52-R64 IonicContact OE2-CZ 3.88Å; E52-R64 IonicContact OE2-NH1 3.84Å; E52-R64 PolarHBondContact OE2-NH1 2.74Å; E52-R64 IonicContact OE2-NH2 3.44Å; E52-F65 WeakPolarHBondContact O-CD2 3.47Å |
| 53 | P | 88.3 | Confident | 85.7 | Confident | 67 Ų | 67 | 77 Ų | 77 | 44% | 0.435 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 146.1 | 176.3 | -25 | 34.6 | 0 | 0 | 0 | 113 | R64 K97 | P53-R64 PolarHBondContact O-NH2 2.9Å; P53-K97 WeakPolarHBondContact CA-O 3.3Å |
| 54 | I | 86.8 | Confident | 86 | Confident | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -76.4 | 129.3 | 177.7 | -62.2 | 173.1 | 0 | 0 | 0 | 109 | D61 I62 F65 K97 L98 P99 L102 | I54-D61 HydrophobicContact CG2-CB 4.09Å; I54-I62 HydrophobicContact CD1-CG1 4.34Å; I54-I62 HydrophobicContact CG2-CG1 3.9Å; I54-F65 HydrophobicContact CD1-CB 3.7Å; I54-F65 HydrophobicContact CD1-CD1 3.83Å; I54-F65 HydrophobicContact CD1-CD2 4.01Å; I54-F65 HydrophobicContact CD1-CE1 4.45Å; I54-F65 HydrophobicContact CD1-CG 3.58Å; I54-F65 HydrophobicContact CG1-CB 3.54Å; I54-F65 HydrophobicContact CG1-CD1 4.3Å; I54-F65 HydrophobicContact CG1-CD2 3.56Å; I54-F65 HydrophobicContact CG1-CE2 4.31Å; I54-F65 HydrophobicContact CG1-CG 3.55Å; I54-K97 PolarHBondContact N-O 3.07Å; I54-L98 HydrophobicContact CD1-CD2 3.4Å; I54-L98 VanDerWaalsContact CD1-CD2 3.4Å; I54-L98 HydrophobicContact CG1-CD2 4.42Å; I54-P99 HydrophobicContact CB-CG 4.35Å; I54-P99 HydrophobicContact CG2-CG 4.08Å; I54-L102 HydrophobicContact CD1-CD1 4.09Å; I54-L102 HydrophobicContact CG2-CD1 4.47Å |
| 55 | Q | 82.8 | Confident | 86.2 | Confident | 103 Ų | 103 | 77.4 Ų | 77.4 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -71.6 | 142.7 | 173.3 | -61 | -62.1 | -34.6 | 0 | 0 | 110.9 | R57 D61 | Q55-R57 PolarHBondContact O-N 3.48Å; Q55-D61 WeakPolarHBondContact CB-OD2 3.4Å |
| 56 | P | 75.2 | Confident | 86.5 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 134.3 | 177 | -23.3 | 32.7 | 0 | 0 | 0 | 111.9 | S58 P99 | P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 3.48Å; P56-P99 HydrophobicContact CG-CB 4.46Å |
| 57 | R | 70.3 | Confident | 86.7 | Confident | 252 Ų | 252 | 74.1 Ų | 74.1 | 95% | 0.951 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 20.3 | 172.8 | -50.5 | 179.7 | 177.5 | -176.2 | -0.6 | 116.1 | Q55 | Q55-R57 PolarHBondContact O-N 3.48Š|
| 58 | S | 79.8 | Confident | 86.8 | Confident | 30 Ų | 30 | 72.5 Ų | 72.5 | 21% | 0.21 | 33% | 0.334 | C | S | . | . | trans | -106.1 | 106.6 | 175 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | P56 R60 D61 I62 | P56-S58 VanDerWaalsContact C-N 3.3Å; P56-S58 PolarHBondContact O-N 3.48Å; S58-R60 VanDerWaalsContact C-N 3.27Å; S58-R60 PolarHBondContact O-N 3.3Å; S58-D61 WeakPolarHBondContact CB-OD2 3.47Å; S58-D61 PolarHBondContact O-N 2.85Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 PolarHBondContact OG-OD2 3.41Å; S58-I62 WeakPolarHBondContact O-CG1 3.45Å; S58-I62 PolarHBondContact O-N 2.93Å | ||
| 59 | N | 82.4 | Confident | 86.8 | Confident | 58 Ų | 58 | 72.4 Ų | 72.4 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 175.1 | -72.6 | -15.7 | 0 | 0 | 0 | 111.5 | D61 I62 E63 N134 E138 | N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.83Å; N59-I62 WeakPolarHBondContact O-CB 3.36Å; N59-I62 PolarHBondContact O-N 3.47Å; N59-I62 VanDerWaalsContact O-N 3.13Å; N59-E63 PolarHBondContact O-N 2.86Å; N59-N134 PolarHBondContact OD1-ND2 2.63Å; N59-N134 VanDerWaalsContact OD1-ND2 3.16Å; N59-E138 VanDerWaalsContact CB-OE1 3.26Å; N59-E138 WeakPolarHBondContact CB-OE1 3.27Å; N59-E138 PolarHBondContact ND2-OE1 3.32Å |
| 60 | R | 85 | Confident | 87.1 | Confident | 207 Ų | 207 | 65.8 Ų | 65.8 | 78% | 0.781 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -60.3 | -38.4 | 177.9 | -64.8 | -175.3 | 69.9 | -160.5 | 0.5 | 112.3 | S58 E63 R64 | S58-R60 VanDerWaalsContact C-N 3.27Å; S58-R60 PolarHBondContact O-N 3.3Å; R60-E63 PolarHBondContact O-N 3Å; R60-R64 PolarHBondContact O-N 2.96Å |
| 61 | D | 87.5 | Confident | 87.1 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 17% | 0.171 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.7 | -31.4 | 177.9 | -64.2 | -31.1 | 0 | 0 | 0 | 112.1 | I54 Q55 S58 N59 R64 F65 | I54-D61 HydrophobicContact CG2-CB 4.09Å; Q55-D61 WeakPolarHBondContact CB-OD2 3.4Å; S58-D61 WeakPolarHBondContact CB-OD2 3.47Å; S58-D61 PolarHBondContact O-N 2.85Å; S58-D61 PolarHBondContact OG-N 3.45Å; S58-D61 PolarHBondContact OG-OD2 3.41Å; N59-D61 VanDerWaalsContact C-N 3.29Å; N59-D61 PolarHBondContact O-N 2.83Å; D61-R64 IonicContact OD1-CZ 3.52Å; D61-R64 IonicContact OD1-NH1 2.96Å; D61-F65 WeakPolarHBondContact O-CB 3.02Å; D61-F65 PolarHBondContact O-N 3.3Å |
| 62 | I | 88.8 | Confident | 87.2 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 171.3 | -61.7 | 170.7 | 0 | 0 | 0 | 110 | I54 S58 N59 F65 Y66 L102 L127 V131 | I54-I62 HydrophobicContact CD1-CG1 4.34Å; I54-I62 HydrophobicContact CG2-CG1 3.9Å; S58-I62 WeakPolarHBondContact O-CG1 3.45Å; S58-I62 PolarHBondContact O-N 2.93Å; N59-I62 WeakPolarHBondContact O-CB 3.36Å; N59-I62 PolarHBondContact O-N 3.47Å; N59-I62 VanDerWaalsContact O-N 3.13Å; I62-F65 PolarHBondContact O-N 3.36Å; I62-Y66 VanDerWaalsContact O-CB 3.3Å; I62-Y66 WeakPolarHBondContact O-CB 3.3Å; I62-Y66 PolarHBondContact O-N 3.2Å; I62-L102 HydrophobicContact CD1-CD1 3.97Å; I62-L102 HydrophobicContact CG1-CD1 3.98Å; I62-L127 HydrophobicContact CG2-CD2 4.46Å; I62-V131 HydrophobicContact CG2-CG2 4.12Å |
| 63 | E | 89.5 | Confident | 87.3 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 177 | -64.2 | -157.2 | 169.3 | 0 | 0 | 112.2 | N59 R60 F65 Y66 F67 V131 R135 | N59-E63 PolarHBondContact O-N 2.86Å; R60-E63 PolarHBondContact O-N 3Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 3.33Å; E63-Y66 PolarHBondContact O-N 3.01Å; E63-F67 HydrophobicContact CB-CD2 4.36Å; E63-F67 HydrophobicContact CB-CE2 4.06Å; E63-F67 WeakPolarHBondContact O-CD2 3.41Å; E63-F67 WeakPolarHBondContact O-CG 3.34Å; E63-F67 PolarHBondContact O-N 3.23Å; E63-V131 HydrophobicContact CG-CG1 3.93Å; E63-V131 HydrophobicContact CG-CG2 4.13Å; E63-R135 WeakPolarHBondContact OE1-CG 3.32Å; E63-R135 IonicContact OE1-CZ 3.42Å; E63-R135 IonicContact OE1-NE 3.79Å; E63-R135 PolarHBondContact OE1-NE 3.39Å; E63-R135 IonicContact OE1-NH2 2.95Å; E63-R135 IonicContact OE2-CZ 2.76Å; E63-R135 IonicContact OE2-NE 2.84Å; E63-R135 PolarHBondContact OE2-NE 2.66Å; E63-R135 IonicContact OE2-NH2 2.83Å; E63-R135 PolarHBondContact OE2-NH2 3Å |
| 64 | R | 91.7 | Very high | 87.4 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.3 | -52.1 | 176.1 | 178.1 | -161.7 | 66.7 | -173.2 | 2 | 110.8 | E52 P53 R60 D61 Y66 F67 E68 | E52-R64 IonicContact OE1-CZ 3.36Å; E52-R64 IonicContact OE1-NH1 2.86Å; E52-R64 PolarHBondContact OE1-NH1 2.84Å; E52-R64 IonicContact OE1-NH2 3.91Å; E52-R64 PolarHBondContact OE1-NH2 3.11Å; E52-R64 IonicContact OE2-CZ 3.88Å; E52-R64 IonicContact OE2-NH1 3.84Å; E52-R64 PolarHBondContact OE2-NH1 2.74Å; E52-R64 IonicContact OE2-NH2 3.44Å; P53-R64 PolarHBondContact O-NH2 2.9Å; R60-R64 PolarHBondContact O-N 2.96Å; D61-R64 IonicContact OD1-CZ 3.52Å; D61-R64 IonicContact OD1-NH1 2.96Å; R64-Y66 VanDerWaalsContact C-N 3.34Å; R64-Y66 PolarHBondContact O-N 3.13Å; R64-F67 PolarHBondContact O-N 2.97Å; R64-E68 PolarHBondContact O-N 2.86Å |
| 65 | F | 92.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -44.9 | -179.3 | -174.8 | -83.2 | 0 | 0 | 0 | 111.7 | I51 E52 I54 D61 I62 E63 E68 L69 V94 K97 L98 L127 | I51-F65 HydrophobicContact CB-CE2 4.13Å; I51-F65 HydrophobicContact CG2-CD2 3.34Å; I51-F65 HydrophobicContact CG2-CE2 3.4Å; I51-F65 VanDerWaalsContact CG2-CE2 3.4Å; I51-F65 HydrophobicContact CG2-CG 4.18Å; I51-F65 HydrophobicContact CG2-CZ 4.28Å; E52-F65 WeakPolarHBondContact O-CD2 3.47Å; I54-F65 HydrophobicContact CD1-CB 3.7Å; I54-F65 HydrophobicContact CD1-CD1 3.83Å; I54-F65 HydrophobicContact CD1-CD2 4.01Å; I54-F65 HydrophobicContact CD1-CE1 4.45Å; I54-F65 HydrophobicContact CD1-CG 3.58Å; I54-F65 HydrophobicContact CG1-CB 3.54Å; I54-F65 HydrophobicContact CG1-CD1 4.3Å; I54-F65 HydrophobicContact CG1-CD2 3.56Å; I54-F65 HydrophobicContact CG1-CE2 4.31Å; I54-F65 HydrophobicContact CG1-CG 3.55Å; D61-F65 WeakPolarHBondContact O-CB 3.02Å; D61-F65 PolarHBondContact O-N 3.3Å; I62-F65 PolarHBondContact O-N 3.36Å; E63-F65 VanDerWaalsContact C-N 3.34Å; E63-F65 PolarHBondContact O-N 3.33Å; F65-E68 PolarHBondContact O-N 3.21Å; F65-L69 HydrophobicContact CE1-CD2 4.3Å; F65-L69 WeakPolarHBondContact O-CB 3.33Å; F65-L69 PolarHBondContact O-N 3.44Å; F65-V94 HydrophobicContact CE1-CG1 4.01Å; F65-V94 HydrophobicContact CZ-CG1 3.66Å; F65-K97 HydrophobicContact CE2-CB 3.76Å; F65-K97 HydrophobicContact CE2-CD 4.18Å; F65-K97 HydrophobicContact CZ-CB 4.13Å; F65-L98 HydrophobicContact CD1-CD2 4.2Å; F65-L98 HydrophobicContact CE1-CD2 3.72Å; F65-L98 HydrophobicContact CZ-CD2 3.93Å; F65-L127 HydrophobicContact CD1-CD1 3.94Å; F65-L127 HydrophobicContact CE1-CD1 3.9Å |
| 66 | Y | 93.2 | Very high | 87.7 | Confident | 15 Ų | 15 | 55.2 Ų | 55.2 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -51.6 | 175.2 | 165.3 | -109.3 | 0 | 0 | 0 | 111.4 | I62 E63 R64 E68 L69 H70 L127 E128 V131 | I62-Y66 VanDerWaalsContact O-CB 3.3Å; I62-Y66 WeakPolarHBondContact O-CB 3.3Å; I62-Y66 PolarHBondContact O-N 3.2Å; E63-Y66 PolarHBondContact O-N 3.01Å; R64-Y66 VanDerWaalsContact C-N 3.34Å; R64-Y66 PolarHBondContact O-N 3.13Å; Y66-E68 VanDerWaalsContact C-N 3.31Å; Y66-E68 PolarHBondContact O-N 3.36Å; Y66-L69 PolarHBondContact O-N 3.29Å; Y66-H70 HydrophobicContact CD2-CB 4.25Å; Y66-H70 HydrophobicContact CE2-CB 3.86Å; Y66-H70 AromaticContact CZ-CG 4Å; Y66-H70 WeakPolarHBondContact O-CB 3.49Å; Y66-H70 PolarHBondContact O-N 3.16Å; Y66-L127 HydrophobicContact CD2-CB 3.69Å; Y66-L127 HydrophobicContact CG-CB 4.34Å; Y66-E128 HydrophobicContact CE2-CB 3.62Å; Y66-E128 HydrophobicContact CE2-CG 4.4Å; Y66-E128 WeakPolarHBondContact OH-CG 3.45Å; Y66-V131 HydrophobicContact CD1-CB 4.34Å; Y66-V131 HydrophobicContact CD1-CG1 4.41Å; Y66-V131 HydrophobicContact CD1-CG2 3.88Å; Y66-V131 HydrophobicContact CG-CG2 3.92Å |
| 67 | F | 90.4 | Very high | 88.4 | Confident | 101 Ų | 101 | 54.5 Ų | 54.5 | 44% | 0.443 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.5 | -37.8 | -178.6 | -71.2 | -52.3 | 0 | 0 | 0 | 113 | E63 R64 G71 | E63-F67 HydrophobicContact CB-CD2 4.36Å; E63-F67 HydrophobicContact CB-CE2 4.06Å; E63-F67 WeakPolarHBondContact O-CD2 3.41Å; E63-F67 WeakPolarHBondContact O-CG 3.34Å; E63-F67 PolarHBondContact O-N 3.23Å; R64-F67 PolarHBondContact O-N 2.97Å; F67-G71 PolarHBondContact O-N 3.26Å |
| 68 | E | 91.5 | Very high | 89.1 | Confident | 60 Ų | 60 | 50 Ų | 50 | 28% | 0.28 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.3 | -45.5 | 175.7 | -76 | -172.8 | -146.1 | 0 | 0 | 112.6 | R64 F65 Y66 T72 | R64-E68 PolarHBondContact O-N 2.86Å; F65-E68 PolarHBondContact O-N 3.21Å; Y66-E68 VanDerWaalsContact C-N 3.31Å; Y66-E68 PolarHBondContact O-N 3.36Å; E68-T72 WeakPolarHBondContact O-CB 2.98Å; E68-T72 PolarHBondContact O-N 2.76Å; E68-T72 PolarHBondContact O-OG1 3.27Å |
| 69 | L | 92.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.8 | -56.2 | 176.3 | 178.2 | 65.1 | 0 | 0 | 0 | 110.4 | L48 I51 F65 Y66 G71 T72 L73 V94 L123 L127 | L48-L69 HydrophobicContact CD2-CD1 3.42Å; L48-L69 VanDerWaalsContact CD2-CD1 3.42Å; I51-L69 HydrophobicContact CD1-CB 4.21Å; I51-L69 HydrophobicContact CD1-CD1 4.26Å; F65-L69 HydrophobicContact CE1-CD2 4.3Å; F65-L69 WeakPolarHBondContact O-CB 3.33Å; F65-L69 PolarHBondContact O-N 3.44Å; Y66-L69 PolarHBondContact O-N 3.29Å; L69-G71 PolarHBondContact O-N 2.91Å; L69-T72 WeakPolarHBondContact O-CA 3.49Å; L69-T72 WeakPolarHBondContact O-CB 3.35Å; L69-T72 PolarHBondContact O-N 3.06Å; L69-L73 HydrophobicContact CD1-CD1 3.95Å; L69-L73 HydrophobicContact CD1-CD2 4.49Å; L69-L73 HydrophobicContact CD1-CG 4.09Å; L69-L73 HydrophobicContact CD2-CD1 4.46Å; L69-L73 HydrophobicContact CG-CD1 3.85Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CG 3.41Å; L69-L73 PolarHBondContact O-N 3.05Å; L69-V94 HydrophobicContact CD1-CG1 4.08Å; L69-V94 HydrophobicContact CD2-CG1 4.29Å; L69-L123 HydrophobicContact CD2-CD2 4.03Å; L69-L123 HydrophobicContact CD2-CG 4.23Å; L69-L127 HydrophobicContact CD2-CD1 3.48Å; L69-L127 VanDerWaalsContact CD2-CD1 3.48Å |
| 70 | H | 93.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 53.3 Ų | 53.3 | 22% | 0.218 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -47.9 | -177.7 | -173.2 | 73.6 | 0 | 0 | 0 | 111.9 | Y66 T72 L73 N74 D124 | Y66-H70 HydrophobicContact CD2-CB 4.25Å; Y66-H70 HydrophobicContact CE2-CB 3.86Å; Y66-H70 AromaticContact CZ-CG 4Å; Y66-H70 WeakPolarHBondContact O-CB 3.49Å; Y66-H70 PolarHBondContact O-N 3.16Å; H70-T72 VanDerWaalsContact C-N 3.27Å; H70-T72 PolarHBondContact O-N 2.95Å; H70-L73 PolarHBondContact O-N 2.92Å; H70-N74 PolarHBondContact CD2-ND2 2.82Å; H70-N74 PolarHBondContact NE2-ND2 2.78Å; H70-N74 WeakPolarHBondContact O-CB 3.49Å; H70-N74 VanDerWaalsContact O-CG 3.31Å; H70-N74 PolarHBondContact O-N 3.44Å; H70-N74 PolarHBondContact O-ND2 3Å; H70-D124 VanDerWaalsContact CA-OD1 3.32Å; H70-D124 WeakPolarHBondContact CA-OD1 3.12Å; H70-D124 VanDerWaalsContact CB-OD1 3.27Å; H70-D124 WeakPolarHBondContact CB-OD1 3.43Å; H70-D124 IonicContact CE1-OD2 3.82Å; H70-D124 IonicContact CG-OD1 3.34Å; H70-D124 VanDerWaalsContact ND1-CG 3.26Å; H70-D124 IonicContact ND1-OD1 3.56Å; H70-D124 PolarHBondContact ND1-OD1 3.47Å; H70-D124 IonicContact ND1-OD2 2.78Å; H70-D124 PolarHBondContact ND1-OD2 3.07Å |
| 71 | G | 90.2 | Very high | 89.1 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 33% | 0.33 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.2 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F67 L69 V75 | F67-G71 PolarHBondContact O-N 3.26Å; L69-G71 PolarHBondContact O-N 2.91Å; G71-V75 WeakPolarHBondContact O-CG2 3.29Å; G71-V75 PolarHBondContact O-N 2.93Å |
| 72 | T | 91.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.6 | -41.6 | 177.7 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | C44 K47 L48 E68 L69 H70 V75 L76 | C44-T72 HydrophobicContact CB-CG2 3.62Å; K47-T72 HydrophobicContact CB-CG2 4.38Å; K47-T72 WeakPolarHBondContact CD-OG1 3.38Å; L48-T72 HydrophobicContact CD1-CG2 4.44Å; L48-T72 HydrophobicContact CD2-CG2 3.73Å; L48-T72 HydrophobicContact CG-CG2 3.75Å; E68-T72 WeakPolarHBondContact O-CB 2.98Å; E68-T72 PolarHBondContact O-N 2.76Å; E68-T72 PolarHBondContact O-OG1 3.27Å; L69-T72 WeakPolarHBondContact O-CA 3.49Å; L69-T72 WeakPolarHBondContact O-CB 3.35Å; L69-T72 PolarHBondContact O-N 3.06Å; H70-T72 VanDerWaalsContact C-N 3.27Å; H70-T72 PolarHBondContact O-N 2.95Å; T72-V75 PolarHBondContact O-N 3.45Å; T72-L76 PolarHBondContact O-N 3.23Å |
| 73 | L | 91.5 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -37.8 | 177.2 | -65.8 | 177.4 | 0 | 0 | 0 | 112.1 | L48 L69 H70 V75 L76 R77 L85 L120 D124 | L48-L73 HydrophobicContact CD1-CD2 4.36Å; L69-L73 HydrophobicContact CD1-CD1 3.95Å; L69-L73 HydrophobicContact CD1-CD2 4.49Å; L69-L73 HydrophobicContact CD1-CG 4.09Å; L69-L73 HydrophobicContact CD2-CD1 4.46Å; L69-L73 HydrophobicContact CG-CD1 3.85Å; L69-L73 HydrophobicContact CG-CG 4.31Å; L69-L73 WeakPolarHBondContact O-CG 3.41Å; L69-L73 PolarHBondContact O-N 3.05Å; H70-L73 PolarHBondContact O-N 2.92Å; L73-V75 VanDerWaalsContact C-N 3.28Å; L73-V75 PolarHBondContact O-N 3.49Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 WeakPolarHBondContact O-CB 3.41Å; L73-L76 PolarHBondContact O-N 2.85Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L73-R77 WeakPolarHBondContact O-CG 3.26Å; L73-R77 PolarHBondContact O-N 3.29Å; L73-L85 HydrophobicContact CB-CD2 4.35Å; L73-L85 HydrophobicContact CD2-CD2 3.65Å; L73-L120 HydrophobicContact CD1-CB 4.25Å; L73-L120 HydrophobicContact CD2-CB 3.84Å; L73-L120 HydrophobicContact CD2-CD1 3.96Å; L73-L120 HydrophobicContact CD2-CG 4.41Å; L73-D124 HydrophobicContact CD1-CB 3.6Å |
| 74 | N | 89.4 | Confident | 88.5 | Confident | 65 Ų | 65 | 54 Ų | 54 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -36.3 | 176 | -75.3 | -17.2 | 0 | 0 | 0 | 112.7 | H70 R77 H78 | H70-N74 PolarHBondContact CD2-ND2 2.82Å; H70-N74 PolarHBondContact NE2-ND2 2.78Å; H70-N74 WeakPolarHBondContact O-CB 3.49Å; H70-N74 VanDerWaalsContact O-CG 3.31Å; H70-N74 PolarHBondContact O-N 3.44Å; H70-N74 PolarHBondContact O-ND2 3Å; N74-R77 PolarHBondContact O-N 2.78Å; N74-R77 PolarHBondContact OD1-NH1 2.91Å; N74-H78 WeakPolarHBondContact O-CB 3.48Å; N74-H78 PolarHBondContact O-N 3.01Å |
| 75 | V | 87.4 | Confident | 88.2 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | V40 G71 T72 L73 R79 | V40-V75 HydrophobicContact CG1-CG1 3.55Å; G71-V75 WeakPolarHBondContact O-CG2 3.29Å; G71-V75 PolarHBondContact O-N 2.93Å; T72-V75 PolarHBondContact O-N 3.45Å; L73-V75 VanDerWaalsContact C-N 3.28Å; L73-V75 PolarHBondContact O-N 3.49Å; V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.23Å; V75-R79 PolarHBondContact O-N 3.28Å |
| 76 | L | 87.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 176.8 | -67.7 | 174.6 | 0 | 0 | 0 | 112.3 | V41 C44 L48 T72 L73 R79 G80 C81 E84 L85 | V41-L76 HydrophobicContact CB-CD2 4.41Å; V41-L76 HydrophobicContact CG1-CD2 4.18Å; V41-L76 HydrophobicContact CG2-CD2 4.13Å; C44-L76 HydrophobicContact CB-CD1 4.26Å; C44-L76 HydrophobicContact CB-CD2 3.74Å; C44-L76 HydrophobicContact CB-CG 3.94Å; L48-L76 HydrophobicContact CD1-CD1 4.12Å; T72-L76 PolarHBondContact O-N 3.23Å; L73-L76 HydrophobicContact CD2-CD1 4.39Å; L73-L76 WeakPolarHBondContact O-CB 3.41Å; L73-L76 PolarHBondContact O-N 2.85Å; L73-L76 VanDerWaalsContact O-N 3.09Å; L76-R79 PolarHBondContact O-N 3.44Å; L76-G80 PolarHBondContact O-N 2.71Å; L76-C81 HydrophobicContact CB-CB 4.5Å; L76-C81 HydrophobicContact CD2-CB 4.17Å; L76-C81 PolarHBondContact O-N 3.26Å; L76-C81 VanDerWaalsContact O-N 3.08Å; L76-E84 HydrophobicContact CD1-CB 4.34Å; L76-L85 HydrophobicContact CB-CD2 3.88Å; L76-L85 HydrophobicContact CB-CG 4.31Å; L76-L85 HydrophobicContact CD1-CD2 4.26Å |
| 77 | R | 89.7 | Confident | 87.7 | Confident | 71 Ų | 71 | 58 Ų | 58 | 27% | 0.268 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -50.1 | 175.1 | -73.6 | 176.3 | -176.9 | 128.6 | -0.5 | 111.3 | L73 N74 R79 G80 L85 E121 D124 | L73-R77 WeakPolarHBondContact O-CG 3.26Å; L73-R77 PolarHBondContact O-N 3.29Å; N74-R77 PolarHBondContact O-N 2.78Å; N74-R77 PolarHBondContact OD1-NH1 2.91Å; R77-R79 PolarHBondContact O-N 3.49Å; R77-G80 PolarHBondContact O-N 3.37Å; R77-L85 HydrophobicContact CB-CD1 4.45Å; R77-L85 HydrophobicContact CG-CD1 3.65Å; R77-L85 HydrophobicContact CG-CD2 4.39Å; R77-E121 IonicContact CZ-OE1 3.56Å; R77-E121 IonicContact NE-OE1 3.66Å; R77-E121 PolarHBondContact NE-OE1 3.01Å; R77-E121 IonicContact NH2-OE1 2.78Å; R77-D124 IonicContact CZ-OD2 3.69Å; R77-D124 IonicContact NH1-OD2 2.8Å; R77-D124 PolarHBondContact NH1-OD2 3.34Å; R77-D124 IonicContact NH2-OD2 3.05Å; R77-D124 PolarHBondContact NH2-OD2 2.91Å |
| 78 | H | 85.8 | Confident | 87.6 | Confident | 158 Ų | 158 | 56.9 Ų | 56.9 | 73% | 0.731 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.5 | -24 | -179.8 | -173 | 69.2 | 0 | 0 | 0 | 113.1 | N74 | N74-H78 WeakPolarHBondContact O-CB 3.48Å; N74-H78 PolarHBondContact O-N 3.01Å |
| 79 | R | 82.5 | Confident | 87.5 | Confident | 110 Ų | 110 | 57.4 Ų | 57.4 | 42% | 0.415 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -5.5 | 174.8 | -70.3 | -77.4 | -171.5 | -107.9 | 1.2 | 113.6 | V75 L76 R77 C81 | V75-R79 VanDerWaalsContact O-CG 3.26Å; V75-R79 WeakPolarHBondContact O-CG 3.23Å; V75-R79 PolarHBondContact O-N 3.28Å; L76-R79 PolarHBondContact O-N 3.44Å; R77-R79 PolarHBondContact O-N 3.49Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 3.09Å |
| 80 | G | 82.9 | Confident | 87.4 | Confident | 48 Ų | 48 | 58.3 Ų | 58.3 | 50% | 0.495 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 21.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L76 R77 N82 | L76-G80 PolarHBondContact O-N 2.71Å; R77-G80 PolarHBondContact O-N 3.37Å; G80-N82 PolarHBondContact O-N 3.11Å |
| 81 | C | 82.6 | Confident | 87.4 | Confident | 30 Ų | 30 | 56.4 Ų | 56.4 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | trans | -82.3 | 60.7 | -176.5 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | V41 L76 R79 V83 E84 L85 | V41-C81 HydrophobicContact CG2-CB 4.32Å; V41-C81 WeakPolarHBondContact CG2-SG 3.46Å; L76-C81 HydrophobicContact CB-CB 4.5Å; L76-C81 HydrophobicContact CD2-CB 4.17Å; L76-C81 PolarHBondContact O-N 3.26Å; L76-C81 VanDerWaalsContact O-N 3.08Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 3.09Å; C81-V83 VanDerWaalsContact C-N 3.26Å; C81-V83 PolarHBondContact O-N 3.28Å; C81-E84 PolarHBondContact O-N 2.88Å; C81-L85 PolarHBondContact O-N 2.96Å | ||
| 82 | N | 82.9 | Confident | 87.4 | Confident | 96 Ų | 96 | 60 Ų | 60 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -32.6 | -174.8 | -63.5 | -25.4 | 0 | 0 | 0 | 113.2 | G80 E84 L85 Q86 | G80-N82 PolarHBondContact O-N 3.11Å; N82-E84 VanDerWaalsContact C-N 3.29Å; N82-E84 PolarHBondContact O-N 3.16Å; N82-L85 PolarHBondContact O-N 3.38Å; N82-Q86 WeakPolarHBondContact O-CB 3.25Å; N82-Q86 WeakPolarHBondContact O-CG 3.44Å; N82-Q86 PolarHBondContact O-N 3.44Å |
| 83 | V | 85.2 | Confident | 87.4 | Confident | 121 Ų | 121 | 61.5 Ų | 61.5 | 73% | 0.733 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.7 | -42.1 | 178 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | C81 Q86 S87 | C81-V83 VanDerWaalsContact C-N 3.26Å; C81-V83 PolarHBondContact O-N 3.28Å; V83-Q86 PolarHBondContact O-N 2.93Å; V83-S87 PolarHBondContact O-N 2.88Å |
| 84 | E | 83.8 | Confident | 87.5 | Confident | 54 Ų | 54 | 61.5 Ų | 61.5 | 25% | 0.252 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.3 | -37.1 | 178.4 | -67.1 | -60.9 | 157.5 | 0 | 0 | 111.8 | V41 I45 L76 C81 N82 Q86 S87 L120 | V41-E84 HydrophobicContact CG1-CG 4.08Å; I45-E84 HydrophobicContact CD1-CG 4.02Å; I45-E84 WeakPolarHBondContact CD1-OE1 3.14Å; I45-E84 WeakPolarHBondContact CD1-OE2 3.28Å; I45-E84 HydrophobicContact CG1-CG 4.39Å; L76-E84 HydrophobicContact CD1-CB 4.34Å; C81-E84 PolarHBondContact O-N 2.88Å; N82-E84 VanDerWaalsContact C-N 3.29Å; N82-E84 PolarHBondContact O-N 3.16Å; E84-Q86 VanDerWaalsContact C-N 3.26Å; E84-Q86 PolarHBondContact O-N 3.43Å; E84-S87 VanDerWaalsContact O-CB 3.32Å; E84-S87 WeakPolarHBondContact O-CB 3.2Å; E84-S87 PolarHBondContact O-N 3.43Å; E84-L120 WeakPolarHBondContact O-CD1 3.49Å |
| 85 | L | 85.4 | Confident | 87.7 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -31.7 | 176.9 | -64.5 | 175.1 | 0 | 0 | 0 | 112.5 | L73 L76 R77 C81 N82 L120 E121 | L73-L85 HydrophobicContact CB-CD2 4.35Å; L73-L85 HydrophobicContact CD2-CD2 3.65Å; L76-L85 HydrophobicContact CB-CD2 3.88Å; L76-L85 HydrophobicContact CB-CG 4.31Å; L76-L85 HydrophobicContact CD1-CD2 4.26Å; R77-L85 HydrophobicContact CB-CD1 4.45Å; R77-L85 HydrophobicContact CG-CD1 3.65Å; R77-L85 HydrophobicContact CG-CD2 4.39Å; C81-L85 PolarHBondContact O-N 2.96Å; N82-L85 PolarHBondContact O-N 3.38Å; L85-L120 WeakPolarHBondContact O-CB 3.24Å; L85-L120 PolarHBondContact O-N 2.9Å; L85-L120 VanDerWaalsContact O-N 3.16Å; L85-E121 HydrophobicContact CB-CG 4.45Å |
| 86 | Q | 86.6 | Confident | 87.9 | Confident | 125 Ų | 125 | 63.8 Ų | 63.8 | 58% | 0.584 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 1.6 | 178.6 | -65.5 | -179.9 | -14.1 | 0 | 0 | 113.3 | N82 V83 E84 L88 T119 | N82-Q86 WeakPolarHBondContact O-CB 3.25Å; N82-Q86 WeakPolarHBondContact O-CG 3.44Å; N82-Q86 PolarHBondContact O-N 3.44Å; V83-Q86 PolarHBondContact O-N 2.93Å; E84-Q86 VanDerWaalsContact C-N 3.26Å; E84-Q86 PolarHBondContact O-N 3.43Å; Q86-L88 PolarHBondContact O-N 2.91Å; Q86-L88 VanDerWaalsContact O-N 3.13Å; Q86-T119 HydrophobicContact CG-CG2 4.33Å |
| 87 | S | 88.7 | Confident | 88.1 | Confident | 32 Ų | 32 | 65.5 Ų | 65.5 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | trans | -68.3 | 110.6 | -177.7 | 176.7 | 0 | 0 | 0 | 0 | 112 | V83 E84 A89 T90 L91 | V83-S87 PolarHBondContact O-N 2.88Å; E84-S87 VanDerWaalsContact O-CB 3.32Å; E84-S87 WeakPolarHBondContact O-CB 3.2Å; E84-S87 PolarHBondContact O-N 3.43Å; S87-A89 VanDerWaalsContact C-N 3.28Å; S87-A89 PolarHBondContact O-N 3.16Å; S87-T90 WeakPolarHBondContact CB-OG1 3.18Å; S87-T90 PolarHBondContact O-N 2.93Å; S87-T90 PolarHBondContact OG-N 3.31Å; S87-T90 PolarHBondContact OG-OG1 3.26Å; S87-T90 VanDerWaalsContact OG-OG1 3.06Å; S87-L91 PolarHBondContact O-N 2.77Å | ||
| 88 | L | 88.6 | Confident | 88.1 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.3 | -179.5 | 61.3 | 0 | 0 | 0 | 112.1 | Q86 L91 Q92 | Q86-L88 PolarHBondContact O-N 2.91Å; Q86-L88 VanDerWaalsContact O-N 3.13Å; L88-L91 HydrophobicContact CD1-CD2 4.4Å; L88-L91 PolarHBondContact O-N 3Å; L88-Q92 HydrophobicContact CD1-CG 4.23Å; L88-Q92 HydrophobicContact CG-CG 4.44Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.05Å |
| 89 | A | 90.1 | Very high | 88.4 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 59% | 0.587 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.8 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S87 Q92 G93 | S87-A89 VanDerWaalsContact C-N 3.28Å; S87-A89 PolarHBondContact O-N 3.16Å; A89-Q92 PolarHBondContact O-N 3.44Å; A89-G93 PolarHBondContact O-N 2.77Å |
| 90 | T | 90.4 | Very high | 88.7 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 175.8 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | L48 S87 Q92 G93 V94 L120 | L48-T90 HydrophobicContact CB-CG2 4.29Å; L48-T90 HydrophobicContact CD1-CG2 3.8Å; S87-T90 WeakPolarHBondContact CB-OG1 3.18Å; S87-T90 PolarHBondContact O-N 2.93Å; S87-T90 PolarHBondContact OG-N 3.31Å; S87-T90 PolarHBondContact OG-OG1 3.26Å; S87-T90 VanDerWaalsContact OG-OG1 3.06Å; T90-Q92 PolarHBondContact O-N 3.02Å; T90-G93 PolarHBondContact O-N 2.81Å; T90-V94 WeakPolarHBondContact O-CG2 3.44Å; T90-V94 PolarHBondContact O-N 3.18Å; T90-L120 HydrophobicContact CG2-CD1 3.72Å; T90-L120 HydrophobicContact CG2-CD2 4.41Å |
| 91 | L | 91.7 | Very high | 89 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.2 | -51.7 | 174.8 | 175.1 | 64 | 0 | 0 | 0 | 111.8 | S87 L88 G93 V94 V95 W106 A118 L120 L123 | S87-L91 PolarHBondContact O-N 2.77Å; L88-L91 HydrophobicContact CD1-CD2 4.4Å; L88-L91 PolarHBondContact O-N 3Å; L91-G93 VanDerWaalsContact C-N 3.31Å; L91-G93 PolarHBondContact O-N 3.31Å; L91-V94 PolarHBondContact O-N 3.42Å; L91-V94 VanDerWaalsContact O-N 3.15Å; L91-V95 HydrophobicContact CD1-CG2 3.83Å; L91-V95 HydrophobicContact CG-CG2 4.2Å; L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 VanDerWaalsContact O-CG2 3.26Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 3.41Å; L91-W106 HydrophobicContact CD1-CZ2 4.11Å; L91-W106 HydrophobicContact CD2-CZ2 4.48Å; L91-A118 HydrophobicContact CD2-CB 3.99Å; L91-A118 WeakPolarHBondContact CD2-O 3.39Å; L91-L120 HydrophobicContact CB-CD2 4.22Å; L91-L120 HydrophobicContact CB-CG 4.37Å; L91-L120 HydrophobicContact CD1-CD2 4.16Å; L91-L123 HydrophobicContact CD1-CB 3.86Å; L91-L123 HydrophobicContact CD1-CD2 3.83Å; L91-L123 HydrophobicContact CD1-CG 4.37Å |
| 92 | Q | 90.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 56.8 Ų | 56.8 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 179.5 | -74.5 | 176.6 | -15.3 | 0 | 0 | 111.7 | L88 A89 T90 V94 V95 Q96 | L88-Q92 HydrophobicContact CD1-CG 4.23Å; L88-Q92 HydrophobicContact CG-CG 4.44Å; L88-Q92 WeakPolarHBondContact O-CB 3.3Å; L88-Q92 WeakPolarHBondContact O-CG 3.49Å; L88-Q92 PolarHBondContact O-N 3.05Å; A89-Q92 PolarHBondContact O-N 3.44Å; T90-Q92 PolarHBondContact O-N 3.02Å; Q92-V94 VanDerWaalsContact C-N 3.32Å; Q92-V94 PolarHBondContact O-N 3.2Å; Q92-V95 PolarHBondContact O-N 3.16Å; Q92-Q96 WeakPolarHBondContact O-CG 3.32Å; Q92-Q96 PolarHBondContact O-N 3.01Å |
| 93 | G | 92.3 | Very high | 89.8 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A89 T90 L91 | A89-G93 PolarHBondContact O-N 2.77Å; T90-G93 PolarHBondContact O-N 2.81Å; L91-G93 VanDerWaalsContact C-N 3.31Å; L91-G93 PolarHBondContact O-N 3.31Å |
| 94 | V | 93.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -74.3 | -42.2 | 175 | 177.4 | 0 | 0 | 0 | 0 | 111.2 | L48 F65 L69 T90 L91 Q92 Q96 K97 L120 L123 | L48-V94 HydrophobicContact CB-CG2 4.34Å; F65-V94 HydrophobicContact CE1-CG1 4.01Å; F65-V94 HydrophobicContact CZ-CG1 3.66Å; L69-V94 HydrophobicContact CD1-CG1 4.08Å; L69-V94 HydrophobicContact CD2-CG1 4.29Å; T90-V94 WeakPolarHBondContact O-CG2 3.44Å; T90-V94 PolarHBondContact O-N 3.18Å; L91-V94 PolarHBondContact O-N 3.42Å; L91-V94 VanDerWaalsContact O-N 3.15Å; Q92-V94 VanDerWaalsContact C-N 3.32Å; Q92-V94 PolarHBondContact O-N 3.2Å; V94-Q96 VanDerWaalsContact C-N 3.3Å; V94-Q96 PolarHBondContact O-N 3.07Å; V94-K97 VanDerWaalsContact O-CB 3.3Å; V94-K97 WeakPolarHBondContact O-CB 3.38Å; V94-K97 PolarHBondContact O-N 3.48Å; V94-L120 HydrophobicContact CB-CD2 4.41Å; V94-L120 HydrophobicContact CG2-CD2 4.18Å; V94-L123 HydrophobicContact CB-CD2 4.22Å; V94-L123 HydrophobicContact CG1-CD2 3.58Å |
| 95 | V | 93 | Very high | 90.3 | Very high | 22 Ų | 22 | 57.5 Ų | 57.5 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 179.1 | 170.3 | 0 | 0 | 0 | 0 | 111.8 | L91 Q92 K97 L98 Q103 L123 | L91-V95 HydrophobicContact CD1-CG2 3.83Å; L91-V95 HydrophobicContact CG-CG2 4.2Å; L91-V95 WeakPolarHBondContact O-CB 3.48Å; L91-V95 VanDerWaalsContact O-CG2 3.26Å; L91-V95 WeakPolarHBondContact O-CG2 3.39Å; L91-V95 PolarHBondContact O-N 3.41Å; Q92-V95 PolarHBondContact O-N 3.16Å; V95-K97 PolarHBondContact O-N 2.82Å; V95-K97 VanDerWaalsContact O-N 3.16Å; V95-L98 VanDerWaalsContact O-CB 3.29Å; V95-L98 WeakPolarHBondContact O-CB 3.29Å; V95-L98 WeakPolarHBondContact O-CG 3.35Å; V95-L98 PolarHBondContact O-N 3.15Å; V95-Q103 HydrophobicContact CG1-CG 4.3Å; V95-Q103 PolarHBondContact O-NE2 2.89Å; V95-L123 HydrophobicContact CG2-CD1 4.32Å; V95-L123 HydrophobicContact CG2-CD2 4.16Å |
| 96 | Q | 92.1 | Very high | 90.6 | Very high | 150 Ų | 150 | 58 Ų | 58 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -19.1 | 176 | -76.3 | 179.2 | 9.4 | 0 | 0 | 113.7 | Q92 V94 L98 | Q92-Q96 WeakPolarHBondContact O-CG 3.32Å; Q92-Q96 PolarHBondContact O-N 3.01Å; V94-Q96 VanDerWaalsContact C-N 3.3Å; V94-Q96 PolarHBondContact O-N 3.07Å; Q96-L98 VanDerWaalsContact C-N 3.31Å |
| 97 | K | 90.9 | Very high | 90.8 | Very high | 36 Ų | 36 | 54.6 Ų | 54.6 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11 | 175.2 | -60.7 | 171 | 176.9 | -68.9 | 0 | 113.1 | L48 R49 I51 P53 I54 F65 V94 V95 | L48-K97 WeakPolarHBondContact O-CE 3.44Å; R49-K97 WeakPolarHBondContact O-CE 3.46Å; R49-K97 PolarHBondContact O-NZ 3.49Å; I51-K97 HydrophobicContact CB-CD 4.05Å; I51-K97 VanDerWaalsContact O-CD 3.32Å; I51-K97 WeakPolarHBondContact O-CD 3.26Å; I51-K97 WeakPolarHBondContact O-CE 3.39Å; I51-K97 PolarHBondContact O-NZ 3.47Å; P53-K97 WeakPolarHBondContact CA-O 3.3Å; I54-K97 PolarHBondContact N-O 3.07Å; F65-K97 HydrophobicContact CE2-CB 3.76Å; F65-K97 HydrophobicContact CE2-CD 4.18Å; F65-K97 HydrophobicContact CZ-CB 4.13Å; V94-K97 VanDerWaalsContact O-CB 3.3Å; V94-K97 WeakPolarHBondContact O-CB 3.38Å; V94-K97 PolarHBondContact O-N 3.48Å; V95-K97 PolarHBondContact O-N 2.82Å; V95-K97 VanDerWaalsContact O-N 3.16Å |
| 98 | L | 91 | Very high | 90.8 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -79.7 | 143.4 | 173.7 | -53.4 | 178.5 | 0 | 0 | 0 | 109.6 | I54 F65 V95 Q96 L102 Q103 L123 W126 L127 | I54-L98 HydrophobicContact CD1-CD2 3.4Å; I54-L98 VanDerWaalsContact CD1-CD2 3.4Å; I54-L98 HydrophobicContact CG1-CD2 4.42Å; F65-L98 HydrophobicContact CD1-CD2 4.2Å; F65-L98 HydrophobicContact CE1-CD2 3.72Å; F65-L98 HydrophobicContact CZ-CD2 3.93Å; V95-L98 VanDerWaalsContact O-CB 3.29Å; V95-L98 WeakPolarHBondContact O-CB 3.29Å; V95-L98 WeakPolarHBondContact O-CG 3.35Å; V95-L98 PolarHBondContact O-N 3.15Å; Q96-L98 VanDerWaalsContact C-N 3.31Å; L98-L102 HydrophobicContact CB-CB 4.03Å; L98-Q103 HydrophobicContact CB-CG 3.99Å; L98-Q103 WeakPolarHBondContact O-CG 3.41Å; L98-Q103 PolarHBondContact O-NE2 3.22Å; L98-L123 HydrophobicContact CD1-CD1 4.23Å; L98-W126 HydrophobicContact CD1-CH2 4.45Å; L98-W126 HydrophobicContact CD1-CZ3 3.94Å; L98-L127 HydrophobicContact CD2-CD2 4.48Å |
| 99 | P | 91.2 | Very high | 90.7 | Very high | 19 Ų | 19 | 59.2 Ų | 59.2 | 12% | 0.123 | 31% | 0.313 | C | S | . | . | trans | -62.3 | 153.7 | 171 | 23.2 | -34 | 0 | 0 | 0 | 110.7 | I54 P56 S101 L102 Q103 | I54-P99 HydrophobicContact CB-CG 4.35Å; I54-P99 HydrophobicContact CG2-CG 4.08Å; P56-P99 HydrophobicContact CG-CB 4.46Å; P99-S101 PolarHBondContact O-N 2.72Å; P99-L102 HydrophobicContact CG-CB 4.23Å; P99-L102 HydrophobicContact CG-CD1 3.94Å; P99-L102 HydrophobicContact CG-CG 4Å; P99-L102 WeakPolarHBondContact O-CA 3.34Å; P99-L102 WeakPolarHBondContact O-CB 3.38Å; P99-L102 PolarHBondContact O-N 2.89Å; P99-Q103 PolarHBondContact O-N 3.42Å | ||
| 100 | Q | 89.5 | Confident | 90.5 | Very high | 141 Ų | 141 | 57.6 Ų | 57.6 | 66% | 0.659 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -49.5 | -41 | -176 | -173.7 | 177.2 | 17.2 | 0 | 0 | 113.2 | L102 Q103 E104 | Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.34Å; Q100-Q103 PolarHBondContact O-N 3.3Å; Q100-E104 WeakPolarHBondContact O-CG 3.35Å; Q100-E104 PolarHBondContact O-N 3.49Å |
| 101 | S | 88.9 | Confident | 90.1 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 44% | 0.441 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.3 | -31.2 | 177.6 | 58.7 | 0 | 0 | 0 | 0 | 114 | P99 K105 | P99-S101 PolarHBondContact O-N 2.72Å; S101-K105 WeakPolarHBondContact O-CG 3.38Å |
| 102 | L | 90.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 69.3 Ų | 69.3 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -84.4 | -36.3 | 175.5 | -71.7 | -173.6 | 0 | 0 | 0 | 111.1 | I54 I62 L98 P99 Q100 E104 K105 W106 W126 L130 | I54-L102 HydrophobicContact CD1-CD1 4.09Å; I54-L102 HydrophobicContact CG2-CD1 4.47Å; I62-L102 HydrophobicContact CD1-CD1 3.97Å; I62-L102 HydrophobicContact CG1-CD1 3.98Å; L98-L102 HydrophobicContact CB-CB 4.03Å; P99-L102 HydrophobicContact CG-CB 4.23Å; P99-L102 HydrophobicContact CG-CD1 3.94Å; P99-L102 HydrophobicContact CG-CG 4Å; P99-L102 WeakPolarHBondContact O-CA 3.34Å; P99-L102 WeakPolarHBondContact O-CB 3.38Å; P99-L102 PolarHBondContact O-N 2.89Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.34Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.02Å; L102-K105 HydrophobicContact CD2-CD 4.13Å; L102-K105 PolarHBondContact O-N 3.43Å; L102-W106 WeakPolarHBondContact O-CB 3.03Å; L102-W106 PolarHBondContact O-N 3.46Å; L102-W126 HydrophobicContact CB-CH2 4.16Å; L102-W126 HydrophobicContact CD2-CH2 4.31Å; L102-W126 WeakPolarHBondContact O-CH2 3.3Å; L102-L130 HydrophobicContact CD2-CD1 3.99Å |
| 103 | Q | 92.6 | Very high | 88.6 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -42.1 | 172.6 | -64.1 | -177.3 | 14.7 | 0 | 0 | 111.6 | V95 L98 P99 Q100 W106 A107 | V95-Q103 HydrophobicContact CG1-CG 4.3Å; V95-Q103 PolarHBondContact O-NE2 2.89Å; L98-Q103 HydrophobicContact CB-CG 3.99Å; L98-Q103 WeakPolarHBondContact O-CG 3.41Å; L98-Q103 PolarHBondContact O-NE2 3.22Å; P99-Q103 PolarHBondContact O-N 3.42Å; Q100-Q103 PolarHBondContact O-N 3.3Å; Q103-W106 PolarHBondContact O-N 3.29Å; Q103-A107 WeakPolarHBondContact O-CB 3.47Å; Q103-A107 PolarHBondContact O-N 3.34Å |
| 104 | E | 89.7 | Confident | 87.1 | Confident | 104 Ų | 104 | 69.7 Ų | 69.7 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 175.3 | -73.1 | 173.7 | -163 | 0 | 0 | 112.5 | Q100 L102 W106 A107 K108 | Q100-E104 WeakPolarHBondContact O-CG 3.35Å; Q100-E104 PolarHBondContact O-N 3.49Å; L102-E104 VanDerWaalsContact C-N 3.3Å; L102-E104 PolarHBondContact O-N 3.02Å; E104-W106 VanDerWaalsContact C-N 3.35Å; E104-A107 PolarHBondContact O-N 3.22Å; E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.06Å; E104-K108 VanDerWaalsContact O-N 3.15Å |
| 105 | K | 89.9 | Confident | 85.8 | Confident | 113 Ų | 113 | 76.2 Ų | 76.2 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -66.3 | -39.5 | 175.8 | -71.9 | 177.6 | -174 | -178.7 | 0 | 111.4 | S101 L102 K108 K109 W126 | S101-K105 WeakPolarHBondContact O-CG 3.38Å; L102-K105 HydrophobicContact CD2-CD 4.13Å; L102-K105 PolarHBondContact O-N 3.43Å; K105-K108 PolarHBondContact O-N 2.77Å; K105-K109 PolarHBondContact O-N 3.25Å; K105-K109 VanDerWaalsContact O-N 3.07Å; K105-W126 HydrophobicContact CB-CH2 4.47Å; K105-W126 HydrophobicContact CB-CZ2 3.71Å |
| 106 | W | 91.8 | Very high | 84.7 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 5% | 0.049 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.1 | 175.3 | -115.6 | 0 | 0 | 0 | 111.1 | L91 L102 Q103 E104 K108 K109 T110 A118 N122 L123 W126 | L91-W106 HydrophobicContact CD1-CZ2 4.11Å; L91-W106 HydrophobicContact CD2-CZ2 4.48Å; L102-W106 WeakPolarHBondContact O-CB 3.03Å; L102-W106 PolarHBondContact O-N 3.46Å; Q103-W106 PolarHBondContact O-N 3.29Å; E104-W106 VanDerWaalsContact C-N 3.35Å; W106-K108 PolarHBondContact O-N 3.01Å; W106-K109 HydrophobicContact CE3-CB 4.28Å; W106-K109 HydrophobicContact CE3-CG 4.47Å; W106-K109 HydrophobicContact CZ3-CG 4.31Å; W106-K109 CarbonylContact O-C 3.6Å; W106-K109 WeakPolarHBondContact O-CA 3.48Å; W106-K109 WeakPolarHBondContact O-CB 3.15Å; W106-K109 PolarHBondContact O-N 3.38Å; W106-T110 HydrophobicContact CD2-CG2 3.74Å; W106-T110 HydrophobicContact CE3-CG2 4.2Å; W106-T110 HydrophobicContact CG-CG2 4.31Å; W106-T110 HydrophobicContact CH2-CG2 3.81Å; W106-T110 HydrophobicContact CZ2-CG2 3.32Å; W106-T110 HydrophobicContact CZ3-CG2 4.22Å; W106-T110 WeakPolarHBondContact O-CG2 3.37Å; W106-T110 PolarHBondContact O-N 3.08Å; W106-T110 PolarHBondContact O-OG1 3.29Å; W106-A118 HydrophobicContact CH2-CB 4.36Å; W106-A118 HydrophobicContact CZ2-CB 3.91Å; W106-N122 HydrophobicContact CH2-CB 3.83Å; W106-L123 HydrophobicContact CD2-CD1 3.73Å; W106-L123 HydrophobicContact CE3-CD1 3.81Å; W106-L123 HydrophobicContact CG-CD1 4.34Å; W106-L123 VanDerWaalsContact CH2-CA 3.42Å; W106-L123 HydrophobicContact CH2-CB 3.8Å; W106-L123 HydrophobicContact CH2-CD1 4.14Å; W106-L123 VanDerWaalsContact CH2-N 3.31Å; W106-L123 HydrophobicContact CZ2-CB 3.97Å; W106-L123 HydrophobicContact CZ2-CD1 4.04Å; W106-L123 HydrophobicContact CZ3-CB 4.28Å; W106-L123 HydrophobicContact CZ3-CD1 4.02Å; W106-W126 HydrophobicContact CB-CH2 3.89Å; W106-W126 HydrophobicContact CB-CZ2 4.17Å; W106-W126 HydrophobicContact CB-CZ3 4.1Å; W106-W126 HydrophobicContact CD2-CE3 4.38Å; W106-W126 HydrophobicContact CE3-CB 4.04Å; W106-W126 AromaticContact CE3-CD2 3.59Å; W106-W126 HydrophobicContact CE3-CD2 3.59Å; W106-W126 AromaticContact CE3-CE3 3.64Å; W106-W126 HydrophobicContact CE3-CE3 3.64Å; W106-W126 AromaticContact CE3-CG 3.79Å; W106-W126 HydrophobicContact CE3-CG 3.79Å; W106-W126 HydrophobicContact CE3-CZ3 4.3Å; W106-W126 HydrophobicContact CZ3-CB 3.66Å; W106-W126 HydrophobicContact CZ3-CD2 4.17Å; W106-W126 HydrophobicContact CZ3-CE3 4.3Å; W106-W126 AromaticContact CZ3-CG 3.92Å; W106-W126 HydrophobicContact CZ3-CG 3.92Å |
| 107 | A | 89.8 | Confident | 84 | Confident | 53 Ų | 53 | 77.3 Ų | 77.3 | 44% | 0.438 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -56.1 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q103 E104 T110 F111 | Q103-A107 WeakPolarHBondContact O-CB 3.47Å; Q103-A107 PolarHBondContact O-N 3.34Å; E104-A107 PolarHBondContact O-N 3.22Å; A107-T110 WeakPolarHBondContact CA-OG1 3.45Å; A107-T110 PolarHBondContact O-OG1 3.3Å; A107-F111 PolarHBondContact O-N 2.99Å |
| 108 | K | 87.9 | Confident | 83.8 | Confident | 145 Ų | 145 | 76.4 Ų | 76.4 | 63% | 0.63 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 172.7 | -70.4 | 174.3 | -175.5 | 179.6 | 0 | 112.4 | E104 K105 W106 H112 | E104-K108 WeakPolarHBondContact O-CG 3.43Å; E104-K108 PolarHBondContact O-N 3.06Å; E104-K108 VanDerWaalsContact O-N 3.15Å; K105-K108 PolarHBondContact O-N 2.77Å; W106-K108 PolarHBondContact O-N 3.01Å; K108-H112 PolarHBondContact O-CD2 3.29Å; K108-H112 VanDerWaalsContact O-CD2 3.23Å |
| 109 | K | 86.9 | Confident | 83.7 | Confident | 62 Ų | 62 | 77.4 Ų | 77.4 | 27% | 0.27 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | 176.1 | -173.6 | 78.4 | 173.8 | -161 | 0 | 110.9 | K105 W106 F111 H112 W126 E129 | K105-K109 PolarHBondContact O-N 3.25Å; K105-K109 VanDerWaalsContact O-N 3.07Å; W106-K109 HydrophobicContact CE3-CB 4.28Å; W106-K109 HydrophobicContact CE3-CG 4.47Å; W106-K109 HydrophobicContact CZ3-CG 4.31Å; W106-K109 CarbonylContact O-C 3.6Å; W106-K109 WeakPolarHBondContact O-CA 3.48Å; W106-K109 WeakPolarHBondContact O-CB 3.15Å; W106-K109 PolarHBondContact O-N 3.38Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.47Å; K109-H112 PolarHBondContact O-N 2.93Å; K109-W126 HydrophobicContact CG-CG 4.22Å; K109-E129 IonicContact NZ-OE2 2.89Å; K109-E129 PolarHBondContact NZ-OE2 3.02Å |
| 110 | T | 87.3 | Confident | 83.7 | Confident | 37 Ų | 37 | 76.5 Ų | 76.5 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -70 | -28 | -179.6 | 56.5 | 0 | 0 | 0 | 0 | 113.3 | W106 A107 H112 L113 A118 | W106-T110 HydrophobicContact CD2-CG2 3.74Å; W106-T110 HydrophobicContact CE3-CG2 4.2Å; W106-T110 HydrophobicContact CG-CG2 4.31Å; W106-T110 HydrophobicContact CH2-CG2 3.81Å; W106-T110 HydrophobicContact CZ2-CG2 3.32Å; W106-T110 HydrophobicContact CZ3-CG2 4.22Å; W106-T110 WeakPolarHBondContact O-CG2 3.37Å; W106-T110 PolarHBondContact O-N 3.08Å; W106-T110 PolarHBondContact O-OG1 3.29Å; A107-T110 WeakPolarHBondContact CA-OG1 3.45Å; A107-T110 PolarHBondContact O-OG1 3.3Å; T110-H112 PolarHBondContact O-N 2.81Å; T110-L113 WeakPolarHBondContact O-CB 3.27Å; T110-L113 PolarHBondContact O-N 2.74Å; T110-A118 HydrophobicContact CG2-CB 3.58Å |
| 111 | F | 81.9 | Confident | 83.6 | Confident | 139 Ų | 139 | 73.4 Ų | 73.4 | 61% | 0.61 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -54.6 | -40.1 | 173.9 | -177.9 | -97 | 0 | 0 | 0 | 111.8 | A107 K109 L113 S114 | A107-F111 PolarHBondContact O-N 2.99Å; K109-F111 VanDerWaalsContact C-N 3.32Å; K109-F111 PolarHBondContact O-N 3.47Å; F111-L113 VanDerWaalsContact C-N 3.26Å; F111-L113 PolarHBondContact O-N 3.27Å; F111-S114 WeakPolarHBondContact O-CB 3.45Å; F111-S114 PolarHBondContact O-N 3.03Å |
| 112 | H | 76.4 | Confident | 83.7 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 62% | 0.62 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.3 | 177.7 | -62.5 | -64 | 0 | 0 | 0 | 114.6 | K108 K109 T110 | K108-H112 PolarHBondContact O-CD2 3.29Å; K108-H112 VanDerWaalsContact O-CD2 3.23Å; K109-H112 PolarHBondContact O-N 2.93Å; T110-H112 PolarHBondContact O-N 2.81Å |
| 113 | L | 73.2 | Confident | 83.9 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.3 | 175.6 | -65.3 | 172.4 | 0 | 0 | 0 | 112.5 | T110 F111 G116 A118 N122 | T110-L113 WeakPolarHBondContact O-CB 3.27Å; T110-L113 PolarHBondContact O-N 2.74Å; F111-L113 VanDerWaalsContact C-N 3.26Å; F111-L113 PolarHBondContact O-N 3.27Å; L113-G116 CarbonylContact O-C 3.52Å; L113-G116 VanDerWaalsContact O-CA 3.24Å; L113-G116 WeakPolarHBondContact O-CA 3.12Å; L113-G116 PolarHBondContact O-N 2.93Å; L113-A118 HydrophobicContact CD1-CB 3.99Å; L113-N122 HydrophobicContact CD1-CB 3.89Å |
| 114 | S | 60.9 | Low | 83.9 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 65% | 0.65 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | 135.4 | 175.7 | -169 | 0 | 0 | 0 | 0 | 110.8 | F111 | F111-S114 WeakPolarHBondContact O-CB 3.45Å; F111-S114 PolarHBondContact O-N 3.03Å |
| 115 | P | 65.8 | Low | 84 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 90% | 0.896 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.9 | 1.6 | 14.2 | 33.4 | -36 | 0 | 0 | 0 | 115.6 | ||
| 116 | G | 70 | Confident | 84.2 | Confident | 47 Ų | 47 | 65 Ų | 65 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -72.2 | 155.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L113 | L113-G116 CarbonylContact O-C 3.52Å; L113-G116 VanDerWaalsContact O-CA 3.24Å; L113-G116 WeakPolarHBondContact O-CA 3.12Å; L113-G116 PolarHBondContact O-N 2.93Å |
| 117 | Q | 77.5 | Confident | 84.3 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 69% | 0.687 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 131.7 | 169.6 | -66.8 | -176 | -1.9 | 0 | 0 | 109.4 | T119 | Q117-T119 PolarHBondContact O-N 3.31Š|
| 118 | A | 87.3 | Confident | 84.4 | Confident | 18 Ų | 18 | 66 Ų | 66 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L91 W106 T110 L113 | L91-A118 HydrophobicContact CD2-CB 3.99Å; L91-A118 WeakPolarHBondContact CD2-O 3.39Å; W106-A118 HydrophobicContact CH2-CB 4.36Å; W106-A118 HydrophobicContact CZ2-CB 3.91Å; T110-A118 HydrophobicContact CG2-CB 3.58Å; L113-A118 HydrophobicContact CD1-CB 3.99Å |
| 119 | T | 89.4 | Confident | 84.5 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 15% | 0.147 | 34% | 0.335 | C | S | . | . | trans | -111.4 | 173 | 178 | 69 | 0 | 0 | 0 | 0 | 111 | Q86 Q117 E121 N122 L123 | Q86-T119 HydrophobicContact CG-CG2 4.33Å; Q117-T119 PolarHBondContact O-N 3.31Å; T119-E121 PolarHBondContact O-N 2.96Å; T119-E121 WeakPolarHBondContact OG1-CB 3.36Å; T119-E121 PolarHBondContact OG1-N 2.65Å; T119-N122 PolarHBondContact N-OD1 3.22Å; T119-N122 PolarHBondContact O-N 3.29Å; T119-N122 PolarHBondContact OG1-N 3.27Å; T119-N122 PolarHBondContact OG1-OD1 2.69Å; T119-L123 PolarHBondContact O-N 2.76Å | ||
| 120 | L | 90.5 | Very high | 84.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.1 | -27.8 | 169.8 | -73.4 | 167.4 | 0 | 0 | 0 | 111.9 | L48 L73 E84 L85 T90 L91 V94 L123 D124 | L48-L120 HydrophobicContact CD1-CD1 4.27Å; L73-L120 HydrophobicContact CD1-CB 4.25Å; L73-L120 HydrophobicContact CD2-CB 3.84Å; L73-L120 HydrophobicContact CD2-CD1 3.96Å; L73-L120 HydrophobicContact CD2-CG 4.41Å; E84-L120 WeakPolarHBondContact O-CD1 3.49Å; L85-L120 WeakPolarHBondContact O-CB 3.24Å; L85-L120 PolarHBondContact O-N 2.9Å; L85-L120 VanDerWaalsContact O-N 3.16Å; T90-L120 HydrophobicContact CG2-CD1 3.72Å; T90-L120 HydrophobicContact CG2-CD2 4.41Å; L91-L120 HydrophobicContact CB-CD2 4.22Å; L91-L120 HydrophobicContact CB-CG 4.37Å; L91-L120 HydrophobicContact CD1-CD2 4.16Å; V94-L120 HydrophobicContact CB-CD2 4.41Å; V94-L120 HydrophobicContact CG2-CD2 4.18Å; L120-L123 PolarHBondContact O-N 2.76Å; L120-D124 WeakPolarHBondContact O-CB 3.12Å; L120-D124 PolarHBondContact O-N 2.97Å |
| 121 | E | 88.5 | Confident | 84.8 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 36% | 0.355 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.4 | -38.3 | 177.6 | -54.1 | -165 | 102.9 | 0 | 0 | 112.1 | R77 L85 T119 L123 D124 Q125 | R77-E121 IonicContact CZ-OE1 3.56Å; R77-E121 IonicContact NE-OE1 3.66Å; R77-E121 PolarHBondContact NE-OE1 3.01Å; R77-E121 IonicContact NH2-OE1 2.78Å; L85-E121 HydrophobicContact CB-CG 4.45Å; T119-E121 PolarHBondContact O-N 2.96Å; T119-E121 WeakPolarHBondContact OG1-CB 3.36Å; T119-E121 PolarHBondContact OG1-N 2.65Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.78Å; E121-D124 WeakPolarHBondContact O-CB 3.34Å; E121-D124 PolarHBondContact O-N 3.36Å; E121-Q125 WeakPolarHBondContact O-CB 3.48Å; E121-Q125 PolarHBondContact O-N 3.23Å |
| 122 | N | 90.9 | Very high | 85.2 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.214 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.9 | -37.2 | 172.8 | -60.4 | 117.5 | 0 | 0 | 0 | 111.2 | W106 L113 T119 W126 | W106-N122 HydrophobicContact CH2-CB 3.83Å; L113-N122 HydrophobicContact CD1-CB 3.89Å; T119-N122 PolarHBondContact N-OD1 3.22Å; T119-N122 PolarHBondContact O-N 3.29Å; T119-N122 PolarHBondContact OG1-N 3.27Å; T119-N122 PolarHBondContact OG1-OD1 2.69Å; N122-W126 VanDerWaalsContact O-CB 3.3Å; N122-W126 WeakPolarHBondContact O-CB 3.3Å; N122-W126 PolarHBondContact O-N 2.91Å |
| 123 | L | 93.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 177.2 | -177.4 | 68.3 | 0 | 0 | 0 | 111.4 | L69 L91 V94 V95 L98 W106 T119 L120 E121 W126 L127 | L69-L123 HydrophobicContact CD2-CD2 4.03Å; L69-L123 HydrophobicContact CD2-CG 4.23Å; L91-L123 HydrophobicContact CD1-CB 3.86Å; L91-L123 HydrophobicContact CD1-CD2 3.83Å; L91-L123 HydrophobicContact CD1-CG 4.37Å; V94-L123 HydrophobicContact CB-CD2 4.22Å; V94-L123 HydrophobicContact CG1-CD2 3.58Å; V95-L123 HydrophobicContact CG2-CD1 4.32Å; V95-L123 HydrophobicContact CG2-CD2 4.16Å; L98-L123 HydrophobicContact CD1-CD1 4.23Å; W106-L123 HydrophobicContact CD2-CD1 3.73Å; W106-L123 HydrophobicContact CE3-CD1 3.81Å; W106-L123 HydrophobicContact CG-CD1 4.34Å; W106-L123 VanDerWaalsContact CH2-CA 3.42Å; W106-L123 HydrophobicContact CH2-CB 3.8Å; W106-L123 HydrophobicContact CH2-CD1 4.14Å; W106-L123 VanDerWaalsContact CH2-N 3.31Å; W106-L123 HydrophobicContact CZ2-CB 3.97Å; W106-L123 HydrophobicContact CZ2-CD1 4.04Å; W106-L123 HydrophobicContact CZ3-CB 4.28Å; W106-L123 HydrophobicContact CZ3-CD1 4.02Å; T119-L123 PolarHBondContact O-N 2.76Å; L120-L123 PolarHBondContact O-N 2.76Å; E121-L123 VanDerWaalsContact C-N 3.26Å; E121-L123 PolarHBondContact O-N 2.78Å; L123-W126 HydrophobicContact CD1-CE3 3.82Å; L123-W126 HydrophobicContact CD1-CZ3 4.11Å; L123-W126 PolarHBondContact O-N 3.42Å; L123-L127 HydrophobicContact CD1-CD1 4.35Å; L123-L127 HydrophobicContact CG-CD1 4.05Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 3.15Å |
| 124 | D | 93.2 | Very high | 86.4 | Confident | 6 Ų | 6 | 52 Ų | 52 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -52 | 175.6 | -171.4 | 42.4 | 0 | 0 | 0 | 111.7 | H70 L73 R77 L120 E121 W126 L127 E128 | H70-D124 VanDerWaalsContact CA-OD1 3.32Å; H70-D124 WeakPolarHBondContact CA-OD1 3.12Å; H70-D124 VanDerWaalsContact CB-OD1 3.27Å; H70-D124 WeakPolarHBondContact CB-OD1 3.43Å; H70-D124 IonicContact CE1-OD2 3.82Å; H70-D124 IonicContact CG-OD1 3.34Å; H70-D124 VanDerWaalsContact ND1-CG 3.26Å; H70-D124 IonicContact ND1-OD1 3.56Å; H70-D124 PolarHBondContact ND1-OD1 3.47Å; H70-D124 IonicContact ND1-OD2 2.78Å; H70-D124 PolarHBondContact ND1-OD2 3.07Å; L73-D124 HydrophobicContact CD1-CB 3.6Å; R77-D124 IonicContact CZ-OD2 3.69Å; R77-D124 IonicContact NH1-OD2 2.8Å; R77-D124 PolarHBondContact NH1-OD2 3.34Å; R77-D124 IonicContact NH2-OD2 3.05Å; R77-D124 PolarHBondContact NH2-OD2 2.91Å; L120-D124 WeakPolarHBondContact O-CB 3.12Å; L120-D124 PolarHBondContact O-N 2.97Å; E121-D124 WeakPolarHBondContact O-CB 3.34Å; E121-D124 PolarHBondContact O-N 3.36Å; D124-W126 VanDerWaalsContact C-N 3.33Å; D124-W126 PolarHBondContact O-N 2.97Å; D124-L127 PolarHBondContact O-N 3.29Å; D124-E128 PolarHBondContact O-N 3.03Å |
| 125 | Q | 92.2 | Very high | 87.5 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.5 | -38 | 178.6 | -172.7 | 180 | 45.2 | 0 | 0 | 112.3 | E121 E128 E129 | E121-Q125 WeakPolarHBondContact O-CB 3.48Å; E121-Q125 PolarHBondContact O-N 3.23Å; Q125-E128 WeakPolarHBondContact O-CB 3.42Å; Q125-E128 PolarHBondContact O-N 3.38Å; Q125-E129 PolarHBondContact O-N 3.33Å |
| 126 | W | 94.1 | Very high | 88.3 | Confident | 14 Ų | 14 | 50.2 Ų | 50.2 | 5% | 0.053 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -70 | -37.9 | 177.8 | 174 | 72.8 | 0 | 0 | 0 | 112.6 | L98 L102 K105 W106 K109 N122 L123 D124 E129 L130 | L98-W126 HydrophobicContact CD1-CH2 4.45Å; L98-W126 HydrophobicContact CD1-CZ3 3.94Å; L102-W126 HydrophobicContact CB-CH2 4.16Å; L102-W126 HydrophobicContact CD2-CH2 4.31Å; L102-W126 WeakPolarHBondContact O-CH2 3.3Å; K105-W126 HydrophobicContact CB-CH2 4.47Å; K105-W126 HydrophobicContact CB-CZ2 3.71Å; W106-W126 HydrophobicContact CB-CH2 3.89Å; W106-W126 HydrophobicContact CB-CZ2 4.17Å; W106-W126 HydrophobicContact CB-CZ3 4.1Å; W106-W126 HydrophobicContact CD2-CE3 4.38Å; W106-W126 HydrophobicContact CE3-CB 4.04Å; W106-W126 AromaticContact CE3-CD2 3.59Å; W106-W126 HydrophobicContact CE3-CD2 3.59Å; W106-W126 AromaticContact CE3-CE3 3.64Å; W106-W126 HydrophobicContact CE3-CE3 3.64Å; W106-W126 AromaticContact CE3-CG 3.79Å; W106-W126 HydrophobicContact CE3-CG 3.79Å; W106-W126 HydrophobicContact CE3-CZ3 4.3Å; W106-W126 HydrophobicContact CZ3-CB 3.66Å; W106-W126 HydrophobicContact CZ3-CD2 4.17Å; W106-W126 HydrophobicContact CZ3-CE3 4.3Å; W106-W126 AromaticContact CZ3-CG 3.92Å; W106-W126 HydrophobicContact CZ3-CG 3.92Å; K109-W126 HydrophobicContact CG-CG 4.22Å; N122-W126 VanDerWaalsContact O-CB 3.3Å; N122-W126 WeakPolarHBondContact O-CB 3.3Å; N122-W126 PolarHBondContact O-N 2.91Å; L123-W126 HydrophobicContact CD1-CE3 3.82Å; L123-W126 HydrophobicContact CD1-CZ3 4.11Å; L123-W126 PolarHBondContact O-N 3.42Å; D124-W126 VanDerWaalsContact C-N 3.33Å; D124-W126 PolarHBondContact O-N 2.97Å; W126-E129 WeakPolarHBondContact O-CB 3.16Å; W126-E129 PolarHBondContact O-N 2.85Å; W126-L130 HydrophobicContact CD2-CD1 4.13Å; W126-L130 HydrophobicContact CE3-CD1 4.12Å; W126-L130 HydrophobicContact CH2-CD1 3.48Å; W126-L130 VanDerWaalsContact CH2-CD1 3.48Å; W126-L130 HydrophobicContact CZ2-CD1 3.44Å; W126-L130 VanDerWaalsContact CZ2-CD1 3.44Å; W126-L130 HydrophobicContact CZ2-CG 4.23Å; W126-L130 HydrophobicContact CZ3-CD1 3.82Å; W126-L130 WeakPolarHBondContact O-CG 3.37Å; W126-L130 PolarHBondContact O-N 2.96Å |
| 127 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 173.9 | -76.7 | 167.6 | 0 | 0 | 0 | 111.5 | I62 F65 Y66 L69 L98 L123 D124 L130 V131 | I62-L127 HydrophobicContact CG2-CD2 4.46Å; F65-L127 HydrophobicContact CD1-CD1 3.94Å; F65-L127 HydrophobicContact CE1-CD1 3.9Å; Y66-L127 HydrophobicContact CD2-CB 3.69Å; Y66-L127 HydrophobicContact CG-CB 4.34Å; L69-L127 HydrophobicContact CD2-CD1 3.48Å; L69-L127 VanDerWaalsContact CD2-CD1 3.48Å; L98-L127 HydrophobicContact CD2-CD2 4.48Å; L123-L127 HydrophobicContact CD1-CD1 4.35Å; L123-L127 HydrophobicContact CG-CD1 4.05Å; L123-L127 WeakPolarHBondContact O-CB 3.45Å; L123-L127 WeakPolarHBondContact O-CG 3.39Å; L123-L127 PolarHBondContact O-N 3.15Å; D124-L127 PolarHBondContact O-N 3.29Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L127-L130 WeakPolarHBondContact O-CB 3.4Å; L127-L130 PolarHBondContact O-N 3.32Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 3.24Å |
| 128 | E | 92.5 | Very high | 88.5 | Confident | 85 Ų | 85 | 48.1 Ų | 48.1 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -57.3 | -48.5 | 170.9 | -176.7 | 176 | -160.5 | 0 | 0 | 111.1 | Y66 D124 Q125 L130 V131 V132 | Y66-E128 HydrophobicContact CE2-CB 3.62Å; Y66-E128 HydrophobicContact CE2-CG 4.4Å; Y66-E128 WeakPolarHBondContact OH-CG 3.45Å; D124-E128 PolarHBondContact O-N 3.03Å; Q125-E128 WeakPolarHBondContact O-CB 3.42Å; Q125-E128 PolarHBondContact O-N 3.38Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 2.84Å; E128-V131 PolarHBondContact O-N 3.26Å; E128-V131 VanDerWaalsContact O-N 3.16Å; E128-V132 HydrophobicContact CG-CG2 4.36Å; E128-V132 WeakPolarHBondContact O-CG2 3.26Å; E128-V132 PolarHBondContact O-N 2.88Å |
| 129 | E | 90.7 | Very high | 87.2 | Confident | 79 Ų | 79 | 50.8 Ų | 50.8 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -54.1 | -46.5 | 175 | -174.4 | -176.3 | 170.1 | 0 | 0 | 110.9 | K109 Q125 W126 V133 | K109-E129 IonicContact NZ-OE2 2.89Å; K109-E129 PolarHBondContact NZ-OE2 3.02Å; Q125-E129 PolarHBondContact O-N 3.33Å; W126-E129 WeakPolarHBondContact O-CB 3.16Å; W126-E129 PolarHBondContact O-N 2.85Å; E129-V133 WeakPolarHBondContact O-CB 3.49Å; E129-V133 WeakPolarHBondContact O-CG2 3.5Å; E129-V133 PolarHBondContact O-N 2.93Å |
| 130 | L | 89.9 | Confident | 85.8 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.141 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 177.6 | -72.1 | -179.3 | 0 | 0 | 0 | 113.2 | L102 W126 L127 E128 V133 N134 | L102-L130 HydrophobicContact CD2-CD1 3.99Å; W126-L130 HydrophobicContact CD2-CD1 4.13Å; W126-L130 HydrophobicContact CE3-CD1 4.12Å; W126-L130 HydrophobicContact CH2-CD1 3.48Å; W126-L130 VanDerWaalsContact CH2-CD1 3.48Å; W126-L130 HydrophobicContact CZ2-CD1 3.44Å; W126-L130 VanDerWaalsContact CZ2-CD1 3.44Å; W126-L130 HydrophobicContact CZ2-CG 4.23Å; W126-L130 HydrophobicContact CZ3-CD1 3.82Å; W126-L130 WeakPolarHBondContact O-CG 3.37Å; W126-L130 PolarHBondContact O-N 2.96Å; L127-L130 HydrophobicContact CD2-CD1 4.33Å; L127-L130 WeakPolarHBondContact O-CB 3.4Å; L127-L130 PolarHBondContact O-N 3.32Å; E128-L130 VanDerWaalsContact C-N 3.3Å; E128-L130 PolarHBondContact O-N 2.84Å; L130-V133 PolarHBondContact O-N 3.05Å; L130-N134 WeakPolarHBondContact O-CB 3.37Å; L130-N134 PolarHBondContact O-N 3.16Å |
| 131 | V | 90.3 | Very high | 84.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.3 | -45.7 | 179.8 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | I62 E63 Y66 L127 E128 V133 N134 R135 | I62-V131 HydrophobicContact CG2-CG2 4.12Å; E63-V131 HydrophobicContact CG-CG1 3.93Å; E63-V131 HydrophobicContact CG-CG2 4.13Å; Y66-V131 HydrophobicContact CD1-CB 4.34Å; Y66-V131 HydrophobicContact CD1-CG1 4.41Å; Y66-V131 HydrophobicContact CD1-CG2 3.88Å; Y66-V131 HydrophobicContact CG-CG2 3.92Å; L127-V131 WeakPolarHBondContact O-CG2 3.41Å; L127-V131 PolarHBondContact O-N 3.24Å; E128-V131 PolarHBondContact O-N 3.26Å; E128-V131 VanDerWaalsContact O-N 3.16Å; V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 2.96Å; V131-N134 PolarHBondContact O-N 3.43Å; V131-R135 HydrophobicContact CG1-CG 4.48Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 3.33Å |
| 132 | V | 89.6 | Confident | 82.5 | Confident | 80 Ų | 80 | 65 Ų | 65 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177.3 | 173 | 0 | 0 | 0 | 0 | 110.8 | E128 R135 T136 | E128-V132 HydrophobicContact CG-CG2 4.36Å; E128-V132 WeakPolarHBondContact O-CG2 3.26Å; E128-V132 PolarHBondContact O-N 2.88Å; V132-R135 PolarHBondContact O-N 3.02Å; V132-T136 WeakPolarHBondContact O-CB 3.11Å; V132-T136 PolarHBondContact O-N 2.83Å; V132-T136 PolarHBondContact O-OG1 3.22Å |
| 133 | V | 88.5 | Confident | 80.6 | Confident | 69 Ų | 69 | 74 Ų | 74 | 42% | 0.418 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | E129 L130 V131 R135 T136 L137 | E129-V133 WeakPolarHBondContact O-CB 3.49Å; E129-V133 WeakPolarHBondContact O-CG2 3.5Å; E129-V133 PolarHBondContact O-N 2.93Å; L130-V133 PolarHBondContact O-N 3.05Å; V131-V133 VanDerWaalsContact C-N 3.33Å; V131-V133 PolarHBondContact O-N 2.96Å; V133-R135 PolarHBondContact O-N 2.96Å; V133-T136 PolarHBondContact O-N 2.95Å; V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.43Å; V133-L137 VanDerWaalsContact O-CG 3.31Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 2.86Å |
| 134 | N | 86.5 | Confident | 78.5 | Confident | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.134 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.7 | -47.1 | 179 | -76.2 | -9.5 | 0 | 0 | 0 | 112 | N59 L130 V131 T136 L137 E138 | N59-N134 PolarHBondContact OD1-ND2 2.63Å; N59-N134 VanDerWaalsContact OD1-ND2 3.16Å; L130-N134 WeakPolarHBondContact O-CB 3.37Å; L130-N134 PolarHBondContact O-N 3.16Å; V131-N134 PolarHBondContact O-N 3.43Å; N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact O-N 2.65Å; N134-L137 PolarHBondContact O-N 3.18Å; N134-E138 WeakPolarHBondContact O-CG 3.39Å; N134-E138 PolarHBondContact O-N 2.9Å |
| 135 | R | 84.9 | Confident | 76.2 | Confident | 105 Ų | 105 | 86.9 Ų | 86.9 | 40% | 0.396 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.5 | -73 | 176.2 | 174.2 | -165.8 | -9.8 | 113.1 | E63 V131 V132 V133 L137 E138 S139 | E63-R135 WeakPolarHBondContact OE1-CG 3.32Å; E63-R135 IonicContact OE1-CZ 3.42Å; E63-R135 IonicContact OE1-NE 3.79Å; E63-R135 PolarHBondContact OE1-NE 3.39Å; E63-R135 IonicContact OE1-NH2 2.95Å; E63-R135 IonicContact OE2-CZ 2.76Å; E63-R135 IonicContact OE2-NE 2.84Å; E63-R135 PolarHBondContact OE2-NE 2.66Å; E63-R135 IonicContact OE2-NH2 2.83Å; E63-R135 PolarHBondContact OE2-NH2 3Å; V131-R135 HydrophobicContact CG1-CG 4.48Å; V131-R135 WeakPolarHBondContact O-CG 3.46Å; V131-R135 PolarHBondContact O-N 3.33Å; V132-R135 PolarHBondContact O-N 3.02Å; V133-R135 PolarHBondContact O-N 2.96Å; R135-L137 VanDerWaalsContact C-N 3.31Å; R135-E138 PolarHBondContact O-N 3.37Å; R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.04Å; R135-S139 PolarHBondContact O-OG 3.43Å |
| 136 | T | 82.8 | Confident | 73.9 | Confident | 87 Ų | 87 | 87.6 Ų | 87.6 | 53% | 0.534 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | V132 V133 N134 T140 | V132-T136 WeakPolarHBondContact O-CB 3.11Å; V132-T136 PolarHBondContact O-N 2.83Å; V132-T136 PolarHBondContact O-OG1 3.22Å; V133-T136 PolarHBondContact O-N 2.95Å; N134-T136 VanDerWaalsContact C-N 3.33Å; N134-T136 PolarHBondContact O-N 2.65Å; T136-T140 PolarHBondContact O-N 3.08Å; T136-T140 PolarHBondContact O-OG1 3Å |
| 137 | L | 79.7 | Confident | 71.4 | Confident | 84 Ų | 84 | 89.7 Ų | 89.7 | 44% | 0.44 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.8 | -44.7 | 176.2 | -66.3 | 174.6 | 0 | 0 | 0 | 111.9 | V133 N134 R135 S139 T140 E141 | V133-L137 HydrophobicContact CG1-CD1 3.93Å; V133-L137 HydrophobicContact CG1-CG 4.43Å; V133-L137 VanDerWaalsContact O-CG 3.31Å; V133-L137 WeakPolarHBondContact O-CG 3.32Å; V133-L137 PolarHBondContact O-N 2.86Å; N134-L137 PolarHBondContact O-N 3.18Å; R135-L137 VanDerWaalsContact C-N 3.31Å; L137-S139 PolarHBondContact O-N 3.01Å; L137-T140 VanDerWaalsContact O-CB 3.3Å; L137-T140 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-N 3.3Å; L137-T140 VanDerWaalsContact O-N 3.07Å; L137-E141 PolarHBondContact O-N 3.4Å |
| 138 | E | 71.7 | Confident | 69.1 | Low | 67 Ų | 67 | 97.7 Ų | 97.7 | 31% | 0.313 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 177.6 | -74 | 175.4 | -171.8 | 0 | 0 | 112.5 | N59 N134 R135 T140 E141 L142 | N59-E138 VanDerWaalsContact CB-OE1 3.26Å; N59-E138 WeakPolarHBondContact CB-OE1 3.27Å; N59-E138 PolarHBondContact ND2-OE1 3.32Å; N134-E138 WeakPolarHBondContact O-CG 3.39Å; N134-E138 PolarHBondContact O-N 2.9Å; R135-E138 PolarHBondContact O-N 3.37Å; E138-T140 PolarHBondContact O-N 3.41Å; E138-T140 VanDerWaalsContact O-N 3.11Å; E138-E141 PolarHBondContact O-N 2.97Å; E138-L142 PolarHBondContact O-N 3.34Å |
| 139 | S | 60.8 | Low | 66.5 | Low | 74 Ų | 74 | 96.9 Ų | 96.9 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.3 | -21.8 | 175.2 | -58.6 | 0 | 0 | 0 | 0 | 112.8 | R135 L137 | R135-S139 WeakPolarHBondContact O-CB 3.48Å; R135-S139 PolarHBondContact O-N 3.04Å; R135-S139 PolarHBondContact O-OG 3.43Å; L137-S139 PolarHBondContact O-N 3.01Å |
| 140 | T | 59.6 | Low | 63.9 | Low | 95 Ų | 95 | 99.1 Ų | 99.1 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -82.7 | -28.9 | 176.4 | -51.7 | 0 | 0 | 0 | 0 | 111.6 | T136 L137 E138 | T136-T140 PolarHBondContact O-N 3.08Å; T136-T140 PolarHBondContact O-OG1 3Å; L137-T140 VanDerWaalsContact O-CB 3.3Å; L137-T140 WeakPolarHBondContact O-CB 3.49Å; L137-T140 PolarHBondContact O-N 3.3Å; L137-T140 VanDerWaalsContact O-N 3.07Å; E138-T140 PolarHBondContact O-N 3.41Å; E138-T140 VanDerWaalsContact O-N 3.11Å |
| 141 | E | 55.1 | Low | 61.6 | Low | 153 Ų | 153 | 109.8 Ų | 109.8 | 72% | 0.715 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.1 | -30.6 | 178.4 | -63.1 | -169.2 | 156.5 | 0 | 0 | 112.7 | L137 E138 R143 | L137-E141 PolarHBondContact O-N 3.4Å; E138-E141 PolarHBondContact O-N 2.97Å; E141-R143 PolarHBondContact O-N 2.84Å |
| 142 | L | 54.5 | Low | 59.3 | Low | 149 Ų | 149 | 113.2 Ų | 113.2 | 78% | 0.78 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 1.3 | -178.8 | -66 | 174.5 | 0 | 0 | 0 | 115 | E138 | E138-L142 PolarHBondContact O-N 3.34Š|
| 143 | R | 50.7 | Low | 57.1 | Low | 231 Ų | 231 | 114 Ų | 114 | 87% | 0.872 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 2.2 | 177.8 | -79.9 | -174.1 | 158.3 | -160.6 | -5.5 | 114.5 | E141 | E141-R143 PolarHBondContact O-N 2.84Š|
| 144 | D | 48 | Very low | 54.9 | Low | 147 Ų | 147 | 120.8 Ų | 120.8 | 79% | 0.786 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -119.3 | 16.2 | -174.2 | -142.1 | 15.2 | 0 | 0 | 0 | 114.4 | ||
| 145 | D | 44.8 | Very low | 52.8 | Low | 129 Ų | 129 | 127.6 Ų | 127.6 | 69% | 0.69 | 69% | 0.687 | S | S | * | * | trans | -130.3 | 80 | 176.4 | -163.6 | 20.7 | 0 | 0 | 0 | 111.3 | ||||
| 146 | S | 45.2 | Very low | 51 | Low | 136 Ų | 136 | 131 Ų | 131 | 95% | 0.951 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -125 | 76.5 | 160.3 | -68.8 | 0 | 0 | 0 | 0 | 107.5 | ||
| 147 | G | 40.4 | Very low | 49.2 | Very low | 58 Ų | 58 | 135 Ų | 135 | 60% | 0.598 | 72% | 0.721 | S | S | * | * | S | Bend | trans | 129.2 | 89.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 148 | L | 44.5 | Very low | 47.2 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 88% | 0.88 | 74% | 0.739 | S | S | * | * | 177.4 | 130.1 | 105 | -85.9 | 161 | 0 | 0 | 0 | 108.8 | |||||
| 149 | G | 39.1 | Very low | 45.6 | Very low | 68 Ų | 68 | 142.5 Ų | 142.5 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -63.8 | 176.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 150 | P | 36.1 | Very low | 44.7 | Very low | 126 Ų | 126 | 148.6 Ų | 148.6 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -85.2 | 135.8 | -155.9 | 32.6 | -33 | 0 | 0 | 0 | 112.1 | ||||
| 151 | R | 41.1 | Very low | 44 | Very low | 252 Ų | 252 | 149.1 Ų | 149.1 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | trans | -167.6 | 147 | 153.5 | -115.9 | 163 | 175.2 | 166 | -1.5 | 114.9 | ||||
| 152 | A | 42.9 | Very low | 43.2 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 61% | 0.612 | 79% | 0.788 | S | S | * | * | trans | 87.7 | 92.3 | 153.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | Y154 | A152-Y154 HydrophobicContact CB-CE2 4.05Š| ||
| 153 | S | 42.2 | Very low | 42.8 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -32.1 | 128.6 | 143.5 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 154 | Y | 43 | Very low | 42.5 | Very low | 211 Ų | 211 | 143.1 Ų | 143.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -134.7 | 112.4 | 153.9 | -79.5 | -82.9 | 0 | 0 | 0 | 109.5 | A152 | A152-Y154 HydrophobicContact CB-CE2 4.05Š| ||
| 155 | H | 41.9 | Very low | 41.9 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 130.5 | 160.8 | -71.4 | -102.1 | 0 | 0 | 0 | 109.8 | ||||
| 156 | H | 47.6 | Very low | 41.8 | Very low | 176 Ų | 176 | 143.8 Ų | 143.8 | 82% | 0.815 | 80% | 0.795 | S | S | * | * | trans | -149.3 | 96.9 | 147.3 | -140.7 | -66.3 | 0 | 0 | 0 | 111.3 | ||||
| 157 | M | 45 | Very low | 41.4 | Very low | 170 Ų | 170 | 147 Ų | 147 | 84% | 0.837 | 79% | 0.793 | S | S | * | * | 38.4 | 102.5 | 128.9 | -133.4 | 159.5 | 175.6 | 0 | 0 | 118 | |||||
| 158 | G | 36.8 | Very low | 41.4 | Very low | 78 Ų | 78 | 154.4 Ų | 154.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | 41.5 | 111.6 | 124.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 159 | R | 39.1 | Very low | 41 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -149.7 | 101.5 | 135 | -156.2 | 168.7 | -176.5 | 171.4 | 0.3 | 110 | V161 | R159-V161 HydrophobicContact CG-CG2 4.25Š| ||
| 160 | K | 40.6 | Very low | 41 | Very low | 203 Ų | 203 | 155.2 Ų | 155.2 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | -71 | 123.1 | 161.9 | -72.6 | -177.8 | 177.6 | 179.4 | 0 | 107.2 | ||||
| 161 | V | 45.1 | Very low | 41.1 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 64% | 0.642 | 81% | 0.806 | S | S | * | * | trans | -114.6 | 109.4 | 162.9 | -175.4 | 0 | 0 | 0 | 0 | 106.3 | R159 V163 | R159-V161 HydrophobicContact CG-CG2 4.25Å; V161-V163 HydrophobicContact CG1-CG2 4.17Å | ||
| 162 | N | 38.5 | Very low | 40.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -75.1 | 124.5 | 167.1 | -68.3 | -16.9 | 0 | 0 | 0 | 107.3 | ||||
| 163 | V | 47 | Very low | 40.7 | Very low | 134 Ų | 134 | 153.4 Ų | 153.4 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -113.9 | 102.8 | 163 | -177.3 | 0 | 0 | 0 | 0 | 107.1 | V161 | V161-V163 HydrophobicContact CG1-CG2 4.17Š| ||
| 164 | T | 42.5 | Very low | 40.2 | Very low | 129 Ų | 129 | 154.6 Ų | 154.6 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -68 | 151.9 | 168.5 | 35.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 165 | A | 36.1 | Very low | 39.9 | Very low | 91 Ų | 91 | 150.4 Ų | 150.4 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | trans | -48.5 | 149.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 166 | Q | 42.6 | Very low | 39.8 | Very low | 198 Ų | 198 | 150.3 Ų | 150.3 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | -165.4 | 121.7 | 125.7 | -108 | 169.6 | -17.9 | 0 | 0 | 111.9 | |||||
| 167 | K | 38.1 | Very low | 39.2 | Very low | 205 Ų | 205 | 149.7 Ų | 149.7 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | -64.2 | 133.4 | 165 | -78.6 | 171.2 | 170.7 | 176.8 | 0 | 110 | ||||
| 168 | K | 40.5 | Very low | 39.2 | Very low | 212 Ų | 212 | 150.6 Ų | 150.6 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | trans | -179.4 | 112.9 | 152.1 | -96.3 | 169.3 | -172.3 | -172.4 | 0 | 103.4 | ||||
| 169 | G | 34.6 | Very low | 39.6 | Very low | 67 Ų | 67 | 150.8 Ų | 150.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | 100.2 | 115.5 | 52.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 170 | I | 39.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 149.2 Ų | 149.2 | 96% | 0.959 | 81% | 0.807 | S | S | * | * | trans | 91.6 | 122.3 | 159.4 | -49.7 | 156.7 | 0 | 0 | 0 | 116.9 | ||||
| 171 | G | 37.5 | Very low | 42.2 | Very low | 69 Ų | 69 | 141.5 Ų | 141.5 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | trans | 160.1 | 49.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L173 | G171-L173 PolarHBondContact O-N 3.3Š| ||
| 172 | L | 36.1 | Very low | 43.9 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 93% | 0.927 | 75% | 0.749 | S | S | * | * | trans | -56.4 | 113.2 | 162 | -84.7 | 150.1 | 0 | 0 | 0 | 109.1 | ||||
| 173 | L | 41 | Very low | 45.9 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 88% | 0.88 | 73% | 0.734 | S | S | * | * | trans | -147.6 | 124.4 | 156.1 | -72.1 | -178.9 | 0 | 0 | 0 | 109.8 | G171 | G171-L173 PolarHBondContact O-N 3.3Š| ||
| 174 | S | 31.1 | Very low | 47.7 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 71% | 0.71 | S | S | * | * | trans | -19.2 | 127.3 | 170.6 | -59 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 175 | S | 37.3 | Very low | 49.8 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -138.3 | 103.5 | 141.7 | -154.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 176 | E | 38.6 | Very low | 51.9 | Low | 168 Ų | 168 | 127.6 Ų | 127.6 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -43.1 | 142.2 | 172.9 | -63.1 | 173.6 | 133.9 | 0 | 0 | 110.9 | K178 | E176-K178 PolarHBondContact O-N 3.22Š| ||
| 177 | E | 36.4 | Very low | 53.8 | Low | 163 Ų | 163 | 124.9 Ų | 124.9 | 76% | 0.762 | 67% | 0.668 | S | S | * | * | trans | -56.4 | 83.2 | 172.1 | -63.1 | -179.2 | 139.7 | 0 | 0 | 110.2 | S179 | E177-S179 PolarHBondContact O-N 3.23Š| ||
| 178 | K | 43.1 | Very low | 56 | Low | 188 Ų | 188 | 124.2 Ų | 124.2 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | trans | -70.2 | 95.9 | 160.9 | -78.9 | -175.7 | 178.6 | -177.2 | 0 | 106.2 | E176 | E176-K178 PolarHBondContact O-N 3.22Š| ||
| 179 | S | 46.5 | Very low | 57.9 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 58% | 0.58 | 63% | 0.633 | S | S | * | * | trans | -27.3 | 147.9 | 153.9 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | E177 S181 | E177-S179 PolarHBondContact O-N 3.23Å; S179-S181 PolarHBondContact O-N 3.27Å; S179-S181 PolarHBondContact O-OG 2.96Å; S179-S181 PolarHBondContact OG-OG 3.36Å | ||
| 180 | R | 59.3 | Low | 60.2 | Low | 198 Ų | 198 | 118.4 Ų | 118.4 | 75% | 0.747 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -66.3 | 38.6 | 178.5 | -63.3 | 179.3 | 178.3 | -174 | -3 | 112.8 | ||
| 181 | S | 73.8 | Confident | 62.3 | Low | 41 Ų | 41 | 109.8 Ų | 109.8 | 29% | 0.287 | 59% | 0.585 | S | S | . | * | trans | -78.9 | 145.4 | 173.5 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | S179 A183 E186 K187 | S179-S181 PolarHBondContact O-N 3.27Å; S179-S181 PolarHBondContact O-OG 2.96Å; S179-S181 PolarHBondContact OG-OG 3.36Å; S181-A183 PolarHBondContact O-N 3.48Å; S181-E186 WeakPolarHBondContact CB-O 3.37Å; S181-K187 CarbonylContact C-O 3.42Å; S181-K187 VanDerWaalsContact CA-O 3.24Å; S181-K187 WeakPolarHBondContact CA-O 3.42Å | ||
| 182 | C | 82.3 | Confident | 64.5 | Low | 1 Ų | 1 | 108 Ų | 108 | 1% | 0.007 | 56% | 0.561 | C | S | . | * | trans | -61.5 | 123 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 109 | L184 C185 E186 K187 H189 C194 | C182-L184 PolarHBondContact O-N 3.24Å; C182-L184 PolarHBondContact SG-N 3.32Å; C182-L184 VanDerWaalsContact SG-N 3.44Å; C182-C185 PolarHBondContact O-N 3.47Å; C182-E186 VanDerWaalsContact O-CA 3.3Å; C182-E186 WeakPolarHBondContact O-CA 3.44Å; C182-E186 PolarHBondContact O-N 2.87Å; C182-K187 WeakPolarHBondContact CB-O 3.4Å; C182-K187 PolarHBondContact N-O 3.28Å; C182-H189 WeakPolarHBondContact CA-O 3.48Å; C182-H189 VanDerWaalsContact CB-CD2 3.45Å; C182-H189 WeakPolarHBondContact CB-CD2 3.48Å; C182-H189 WeakPolarHBondContact CB-NE2 3.4Å; C182-H189 VanDerWaalsContact CB-O 3.27Å; C182-H189 WeakPolarHBondContact CB-O 3.38Å; C182-H189 PolarHBondContact N-O 3.35Å; C182-H189 VanDerWaalsContact N-O 3.08Å; C182-C194 WeakPolarHBondContact SG-CB 3.06Å; C182-C194 PolarHBondContact SG-SG 3.45Å | ||
| 183 | A | 80.3 | Confident | 66.8 | Low | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -4.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S181 L212 | S181-A183 PolarHBondContact O-N 3.48Å; A183-L212 HydrophobicContact CB-CD1 3.82Å; A183-L212 HydrophobicContact CB-CD2 4.11Å; A183-L212 HydrophobicContact CB-CG 4.38Å; A183-L212 WeakPolarHBondContact O-CD2 3.24Å |
| 184 | L | 84.8 | Confident | 69 | Low | 57 Ų | 57 | 93.7 Ų | 93.7 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -42 | 174.9 | -173.9 | 65.7 | 0 | 0 | 0 | 113.4 | C182 L191 Q196 F197 I208 L212 | C182-L184 PolarHBondContact O-N 3.24Å; C182-L184 PolarHBondContact SG-N 3.32Å; C182-L184 VanDerWaalsContact SG-N 3.44Å; L184-L191 HydrophobicContact CB-CD1 3.68Å; L184-L191 HydrophobicContact CD2-CD1 4.32Å; L184-Q196 HydrophobicContact CD2-CB 3.82Å; L184-F197 HydrophobicContact CD2-CB 3.88Å; L184-F197 HydrophobicContact CD2-CD2 4.46Å; L184-I208 HydrophobicContact CD1-CD1 4.16Å; L184-I208 HydrophobicContact CD1-CG1 4.32Å; L184-I208 HydrophobicContact CD1-CG2 3.99Å; L184-I208 HydrophobicContact CD2-CD1 4.13Å; L184-I208 HydrophobicContact CD2-CG2 4.45Å; L184-L212 HydrophobicContact CB-CD1 4.37Å |
| 185 | C | 86.4 | Confident | 71.7 | Confident | 28 Ų | 28 | 91.4 Ų | 91.4 | 19% | 0.189 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 3.9 | -171.5 | 82.5 | 0 | 0 | 0 | 0 | 114.4 | C182 K187 H189 | C182-C185 PolarHBondContact O-N 3.47Å; C185-K187 PolarHBondContact O-N 2.97Å; C185-H189 PolarHBondContact SG-CE1 3.37Å; C185-H189 PolarHBondContact SG-NE2 2.89Å |
| 186 | E | 81 | Confident | 74.1 | Confident | 169 Ų | 169 | 90.8 Ų | 90.8 | 79% | 0.79 | 46% | 0.458 | S | S | * | . | trans | 61.2 | 12.4 | 174.4 | -58.2 | 175.9 | -175.1 | 0 | 0 | 115.6 | S181 C182 | S181-E186 WeakPolarHBondContact CB-O 3.37Å; C182-E186 VanDerWaalsContact O-CA 3.3Å; C182-E186 WeakPolarHBondContact O-CA 3.44Å; C182-E186 PolarHBondContact O-N 2.87Å | ||
| 187 | K | 81.6 | Confident | 76.6 | Confident | 141 Ų | 141 | 82.8 Ų | 82.8 | 61% | 0.613 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -91.4 | 162.7 | 175.4 | -63.3 | 179.9 | -178.1 | -175.5 | 0 | 111.9 | S181 C182 C185 H189 | S181-K187 CarbonylContact C-O 3.42Å; S181-K187 VanDerWaalsContact CA-O 3.24Å; S181-K187 WeakPolarHBondContact CA-O 3.42Å; C182-K187 WeakPolarHBondContact CB-O 3.4Å; C182-K187 PolarHBondContact N-O 3.28Å; C185-K187 PolarHBondContact O-N 2.97Å; K187-H189 VanDerWaalsContact C-N 3.32Å; K187-H189 PolarHBondContact O-N 3.44Å |
| 188 | E | 83.3 | Confident | 79 | Confident | 191 Ų | 191 | 80.2 Ų | 80.2 | 89% | 0.893 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -70.8 | 75.3 | -177.5 | -60.8 | -172.5 | 152.6 | 0 | 0 | 113.9 | ||
| 189 | H | 81.5 | Confident | 81.2 | Confident | 42 Ų | 42 | 78.8 Ų | 78.8 | 19% | 0.194 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -163.5 | 161.2 | 169.4 | 53.4 | -98.3 | 0 | 0 | 0 | 111.4 | C182 C185 K187 A193 C194 | C182-H189 WeakPolarHBondContact CA-O 3.48Å; C182-H189 VanDerWaalsContact CB-CD2 3.45Å; C182-H189 WeakPolarHBondContact CB-CD2 3.48Å; C182-H189 WeakPolarHBondContact CB-NE2 3.4Å; C182-H189 VanDerWaalsContact CB-O 3.27Å; C182-H189 WeakPolarHBondContact CB-O 3.38Å; C182-H189 PolarHBondContact N-O 3.35Å; C182-H189 VanDerWaalsContact N-O 3.08Å; C185-H189 PolarHBondContact SG-CE1 3.37Å; C185-H189 PolarHBondContact SG-NE2 2.89Å; K187-H189 VanDerWaalsContact C-N 3.32Å; K187-H189 PolarHBondContact O-N 3.44Å; H189-A193 HydrophobicContact CB-CB 4.13Å; H189-C194 VanDerWaalsContact CD2-CA 3.44Å; H189-C194 WeakPolarHBondContact CD2-CA 3.32Å; H189-C194 WeakPolarHBondContact NE2-CA 3.35Å; H189-C194 VanDerWaalsContact NE2-CB 3.29Å; H189-C194 WeakPolarHBondContact NE2-CB 3.32Å; H189-C194 PolarHBondContact NE2-SG 3.35Å; H189-C194 VanDerWaalsContact NE2-SG 3.42Å |
| 190 | I | 82 | Confident | 83.3 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 59% | 0.59 | 38% | 0.382 | S | S | * | . | trans | -76 | 155 | 171.7 | 57.8 | 177.4 | 0 | 0 | 0 | 111.5 | C192 A193 C194 | I190-C192 WeakPolarHBondContact CD1-SG 3.49Å; I190-C192 VanDerWaalsContact CG1-SG 3.55Å; I190-C192 PolarHBondContact O-N 2.91Å; I190-C192 VanDerWaalsContact O-N 3.11Å; I190-A193 HydrophobicContact CG1-CB 4.14Å; I190-A193 WeakPolarHBondContact O-CA 3.33Å; I190-A193 WeakPolarHBondContact O-CB 3.45Å; I190-A193 PolarHBondContact O-N 3.38Å; I190-C194 PolarHBondContact O-N 3.46Å | ||
| 191 | L | 85.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 70.3 Ų | 70.3 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -54.5 | -36.9 | -174.2 | -175 | 66.2 | 0 | 0 | 0 | 113.7 | L184 A193 C194 F197 I208 L212 Q214 | L184-L191 HydrophobicContact CB-CD1 3.68Å; L184-L191 HydrophobicContact CD2-CD1 4.32Å; L191-A193 PolarHBondContact O-N 3.31Å; L191-C194 VanDerWaalsContact O-CB 3.23Å; L191-C194 WeakPolarHBondContact O-CB 3.46Å; L191-C194 PolarHBondContact O-N 3.03Å; L191-C194 VanDerWaalsContact O-N 3.09Å; L191-F197 HydrophobicContact CD1-CB 4.03Å; L191-F197 HydrophobicContact CD1-CD2 3.76Å; L191-F197 HydrophobicContact CD1-CE2 4.4Å; L191-F197 HydrophobicContact CD1-CG 3.93Å; L191-F197 HydrophobicContact CD2-CD2 4.1Å; L191-F197 HydrophobicContact CD2-CE2 3.89Å; L191-F197 HydrophobicContact CD2-CZ 4.26Å; L191-F197 HydrophobicContact CG-CB 4.46Å; L191-F197 HydrophobicContact CG-CD1 4.28Å; L191-F197 HydrophobicContact CG-CD2 3.86Å; L191-F197 HydrophobicContact CG-CE2 4.09Å; L191-F197 HydrophobicContact CG-CG 3.94Å; L191-F197 HydrophobicContact CG-CZ 4.41Å; L191-F197 WeakPolarHBondContact O-CD1 3.45Å; L191-I208 HydrophobicContact CD1-CG2 4.32Å; L191-I208 HydrophobicContact CD2-CG2 4.36Å; L191-L212 HydrophobicContact CD1-CD1 4.11Å; L191-L212 HydrophobicContact CD2-CD1 4.13Å; L191-Q214 HydrophobicContact CD2-CB 4.5Å; L191-Q214 HydrophobicContact CD2-CG 3.76Å |
| 192 | C | 83.5 | Confident | 85.4 | Confident | 32 Ų | 32 | 70.5 Ų | 70.5 | 22% | 0.216 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -69.1 | -17.9 | 178.9 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | I190 K198 L219 L246 | I190-C192 WeakPolarHBondContact CD1-SG 3.49Å; I190-C192 VanDerWaalsContact CG1-SG 3.55Å; I190-C192 PolarHBondContact O-N 2.91Å; I190-C192 VanDerWaalsContact O-N 3.11Å; C192-K198 WeakPolarHBondContact O-CE 3.31Å; C192-L219 HydrophobicContact CB-CB 4.46Å; C192-L219 HydrophobicContact CB-CD1 3.82Å; C192-L246 HydrophobicContact CB-CD1 4.15Å |
| 193 | A | 84.4 | Confident | 85.7 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -94.2 | -5.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H189 I190 L191 P195 | H189-A193 HydrophobicContact CB-CB 4.13Å; I190-A193 HydrophobicContact CG1-CB 4.14Å; I190-A193 WeakPolarHBondContact O-CA 3.33Å; I190-A193 WeakPolarHBondContact O-CB 3.45Å; I190-A193 PolarHBondContact O-N 3.38Å; L191-A193 PolarHBondContact O-N 3.31Å; A193-P195 WeakPolarHBondContact O-CD 3.38Å |
| 194 | C | 86.8 | Confident | 86.2 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 39% | 0.393 | C | S | . | . | trans | -70 | 124.2 | -176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.4 | C182 H189 I190 L191 Q196 F197 K198 | C182-C194 WeakPolarHBondContact SG-CB 3.06Å; C182-C194 PolarHBondContact SG-SG 3.45Å; H189-C194 VanDerWaalsContact CD2-CA 3.44Å; H189-C194 WeakPolarHBondContact CD2-CA 3.32Å; H189-C194 WeakPolarHBondContact NE2-CA 3.35Å; H189-C194 VanDerWaalsContact NE2-CB 3.29Å; H189-C194 WeakPolarHBondContact NE2-CB 3.32Å; H189-C194 PolarHBondContact NE2-SG 3.35Å; H189-C194 VanDerWaalsContact NE2-SG 3.42Å; I190-C194 PolarHBondContact O-N 3.46Å; L191-C194 VanDerWaalsContact O-CB 3.23Å; L191-C194 WeakPolarHBondContact O-CB 3.46Å; L191-C194 PolarHBondContact O-N 3.03Å; L191-C194 VanDerWaalsContact O-N 3.09Å; C194-Q196 PolarHBondContact O-N 3.28Å; C194-F197 HydrophobicContact CB-CB 3.77Å; C194-F197 PolarHBondContact O-N 3.27Å; C194-F197 VanDerWaalsContact O-N 3.16Å; C194-K198 WeakPolarHBondContact O-CG 3.07Å; C194-K198 PolarHBondContact O-N 2.89Å | ||
| 195 | P | 88.1 | Confident | 86.5 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 47% | 0.468 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.2 | -46.6 | 176.4 | -26.1 | 35.2 | 0 | 0 | 0 | 112.6 | A193 F197 K198 E199 | A193-P195 WeakPolarHBondContact O-CD 3.38Å; P195-F197 PolarHBondContact O-N 3.34Å; P195-K198 CarbonylContact O-C 3.6Å; P195-K198 PolarHBondContact O-N 2.8Å; P195-E199 WeakPolarHBondContact O-CG 3.46Å; P195-E199 PolarHBondContact O-N 2.9Å |
| 196 | Q | 87.8 | Confident | 86.7 | Confident | 110 Ų | 110 | 75.7 Ų | 75.7 | 51% | 0.514 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -34.2 | 178 | -68.3 | -177.3 | -27.5 | 0 | 0 | 112.7 | L184 C194 A200 | L184-Q196 HydrophobicContact CD2-CB 3.82Å; C194-Q196 PolarHBondContact O-N 3.28Å; Q196-A200 PolarHBondContact O-N 2.83Å |
| 197 | F | 90 | Very high | 87.1 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.4 | -40.1 | 175.8 | -173.5 | -102.8 | 0 | 0 | 0 | 111.6 | L184 L191 C194 P195 E199 A200 R205 I208 L219 L246 L247 | L184-F197 HydrophobicContact CD2-CB 3.88Å; L184-F197 HydrophobicContact CD2-CD2 4.46Å; L191-F197 HydrophobicContact CD1-CB 4.03Å; L191-F197 HydrophobicContact CD1-CD2 3.76Å; L191-F197 HydrophobicContact CD1-CE2 4.4Å; L191-F197 HydrophobicContact CD1-CG 3.93Å; L191-F197 HydrophobicContact CD2-CD2 4.1Å; L191-F197 HydrophobicContact CD2-CE2 3.89Å; L191-F197 HydrophobicContact CD2-CZ 4.26Å; L191-F197 HydrophobicContact CG-CB 4.46Å; L191-F197 HydrophobicContact CG-CD1 4.28Å; L191-F197 HydrophobicContact CG-CD2 3.86Å; L191-F197 HydrophobicContact CG-CE2 4.09Å; L191-F197 HydrophobicContact CG-CG 3.94Å; L191-F197 HydrophobicContact CG-CZ 4.41Å; L191-F197 WeakPolarHBondContact O-CD1 3.45Å; C194-F197 HydrophobicContact CB-CB 3.77Å; C194-F197 PolarHBondContact O-N 3.27Å; C194-F197 VanDerWaalsContact O-N 3.16Å; P195-F197 PolarHBondContact O-N 3.34Å; F197-E199 VanDerWaalsContact C-N 3.34Å; F197-A200 PolarHBondContact O-N 3.49Å; F197-R205 HydrophobicContact CD2-CB 4.45Å; F197-R205 HydrophobicContact CD2-CG 4.26Å; F197-R205 HydrophobicContact CE1-CB 4.37Å; F197-R205 HydrophobicContact CE1-CG 4.26Å; F197-R205 HydrophobicContact CE2-CB 3.74Å; F197-R205 HydrophobicContact CE2-CG 4.01Å; F197-R205 WeakPolarHBondContact CE2-O 3.48Å; F197-R205 HydrophobicContact CZ-CB 3.7Å; F197-R205 HydrophobicContact CZ-CG 4.02Å; F197-R205 WeakPolarHBondContact O-CD 3.44Å; F197-R205 VanDerWaalsContact O-CG 3.26Å; F197-R205 WeakPolarHBondContact O-CG 3.44Å; F197-R205 PolarHBondContact O-NE 3.4Å; F197-I208 HydrophobicContact CD2-CB 4.23Å; F197-I208 HydrophobicContact CD2-CD1 4.2Å; F197-I208 HydrophobicContact CD2-CG2 3.84Å; F197-I208 HydrophobicContact CE2-CB 4.06Å; F197-I208 HydrophobicContact CE2-CG2 3.93Å; F197-L219 HydrophobicContact CE1-CD1 3.57Å; F197-L219 HydrophobicContact CZ-CD1 3.95Å; F197-L219 HydrophobicContact CZ-CD2 4.05Å; F197-L246 HydrophobicContact CD1-CD1 4.16Å; F197-L246 HydrophobicContact CE1-CB 4.17Å; F197-L246 HydrophobicContact CE1-CD1 3.95Å; F197-L247 HydrophobicContact CZ-CD2 4.03Å |
| 198 | K | 88.1 | Confident | 87.5 | Confident | 110 Ų | 110 | 66 Ų | 66 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.5 | -29.1 | 176.8 | -71.9 | -177.6 | -178.6 | -179.6 | 0 | 112.8 | C192 C194 P195 R205 | C192-K198 WeakPolarHBondContact O-CE 3.31Å; C194-K198 WeakPolarHBondContact O-CG 3.07Å; C194-K198 PolarHBondContact O-N 2.89Å; P195-K198 CarbonylContact O-C 3.6Å; P195-K198 PolarHBondContact O-N 2.8Å; K198-R205 PolarHBondContact O-NH2 2.87Å |
| 199 | E | 89.1 | Confident | 87.8 | Confident | 157 Ų | 157 | 57 Ų | 57 | 73% | 0.734 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -79.9 | -25.3 | 176.9 | -72.9 | 165.4 | -164.1 | 0 | 0 | 112.8 | P195 F197 | P195-E199 WeakPolarHBondContact O-CG 3.46Å; P195-E199 PolarHBondContact O-N 2.9Å; F197-E199 VanDerWaalsContact C-N 3.34Å |
| 200 | A | 89.4 | Confident | 88.1 | Confident | 18 Ų | 18 | 59.7 Ų | 59.7 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -64.1 | 148.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q196 F197 R204 R205 I208 | Q196-A200 PolarHBondContact O-N 2.83Å; F197-A200 PolarHBondContact O-N 3.49Å; A200-R204 HydrophobicContact CB-CB 4.1Å; A200-R204 HydrophobicContact CB-CG 3.9Å; A200-R205 HydrophobicContact CB-CG 3.97Å; A200-R205 VanDerWaalsContact O-CZ 3.31Å; A200-R205 PolarHBondContact O-NE 3.34Å; A200-R205 PolarHBondContact O-NH2 3.4Å; A200-I208 HydrophobicContact CB-CD1 4.31Å |
| 201 | T | 89.4 | Confident | 88.5 | Confident | 86 Ų | 86 | 62.8 Ų | 62.8 | 53% | 0.528 | 32% | 0.316 | S | S | . | . | trans | -63.2 | 155 | 174.4 | 64.5 | 0 | 0 | 0 | 0 | 111.2 | V203 R204 R205 | T201-V203 VanDerWaalsContact C-N 3.26Å; T201-V203 PolarHBondContact O-N 2.9Å; T201-R204 CarbonylContact O-C 3.51Å; T201-R204 WeakPolarHBondContact O-CA 3.47Å; T201-R204 WeakPolarHBondContact O-CB 3.47Å; T201-R204 PolarHBondContact O-N 2.94Å; T201-R204 WeakPolarHBondContact OG1-CB 3.41Å; T201-R204 PolarHBondContact OG1-N 3.09Å; T201-R205 WeakPolarHBondContact O-CG 3.3Å; T201-R205 PolarHBondContact O-N 2.91Å | ||
| 202 | P | 88.8 | Confident | 88.5 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 29% | 0.286 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.8 | -41.4 | 178.6 | -30.3 | 36.8 | 0 | 0 | 0 | 114.3 | R204 R205 A206 H248 S250 | P202-R204 PolarHBondContact O-N 3.27Å; P202-R205 PolarHBondContact O-N 3.09Å; P202-A206 PolarHBondContact O-N 3.23Å; P202-H248 WeakPolarHBondContact CB-O 3.47Å; P202-H248 WeakPolarHBondContact CG-O 3.47Å; P202-S250 WeakPolarHBondContact O-CB 3.33Å |
| 203 | V | 89.3 | Confident | 88.6 | Confident | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.406 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 175 | -178.3 | 0 | 0 | 0 | 0 | 110.4 | T201 R205 A206 E207 | T201-V203 VanDerWaalsContact C-N 3.26Å; T201-V203 PolarHBondContact O-N 2.9Å; V203-R205 PolarHBondContact O-N 3.29Å; V203-A206 PolarHBondContact O-N 3.2Å; V203-E207 PolarHBondContact O-N 3.44Å; V203-E207 VanDerWaalsContact O-N 3.08Å |
| 204 | R | 89.6 | Confident | 88.7 | Confident | 134 Ų | 134 | 67.6 Ų | 67.6 | 51% | 0.506 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 178.6 | -175.8 | 55.9 | 172.6 | -172.4 | -5.5 | 112.5 | A200 T201 P202 A206 E207 I208 | A200-R204 HydrophobicContact CB-CB 4.1Å; A200-R204 HydrophobicContact CB-CG 3.9Å; T201-R204 CarbonylContact O-C 3.51Å; T201-R204 WeakPolarHBondContact O-CA 3.47Å; T201-R204 WeakPolarHBondContact O-CB 3.47Å; T201-R204 PolarHBondContact O-N 2.94Å; T201-R204 WeakPolarHBondContact OG1-CB 3.41Å; T201-R204 PolarHBondContact OG1-N 3.09Å; P202-R204 PolarHBondContact O-N 3.27Å; R204-A206 VanDerWaalsContact C-N 3.33Å; R204-A206 PolarHBondContact O-N 3.16Å; R204-E207 WeakPolarHBondContact CD-OE2 3.36Å; R204-E207 IonicContact CZ-OE2 3.65Å; R204-E207 IonicContact NH1-OE2 3.58Å; R204-E207 PolarHBondContact NH1-OE2 2.9Å; R204-E207 WeakPolarHBondContact O-CB 3.49Å; R204-E207 PolarHBondContact O-N 3.17Å; R204-I208 HydrophobicContact CG-CD1 4Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.39Å; R204-I208 PolarHBondContact O-N 2.83Å |
| 205 | R | 91.9 | Very high | 88.8 | Confident | 41 Ų | 41 | 67.6 Ų | 67.6 | 16% | 0.155 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 174.5 | -68.5 | 176 | -170.6 | 159.1 | 8.9 | 111.8 | F197 K198 A200 T201 P202 V203 I208 A209 L246 L247 | F197-R205 HydrophobicContact CD2-CB 4.45Å; F197-R205 HydrophobicContact CD2-CG 4.26Å; F197-R205 HydrophobicContact CE1-CB 4.37Å; F197-R205 HydrophobicContact CE1-CG 4.26Å; F197-R205 HydrophobicContact CE2-CB 3.74Å; F197-R205 HydrophobicContact CE2-CG 4.01Å; F197-R205 WeakPolarHBondContact CE2-O 3.48Å; F197-R205 HydrophobicContact CZ-CB 3.7Å; F197-R205 HydrophobicContact CZ-CG 4.02Å; F197-R205 WeakPolarHBondContact O-CD 3.44Å; F197-R205 VanDerWaalsContact O-CG 3.26Å; F197-R205 WeakPolarHBondContact O-CG 3.44Å; F197-R205 PolarHBondContact O-NE 3.4Å; K198-R205 PolarHBondContact O-NH2 2.87Å; A200-R205 HydrophobicContact CB-CG 3.97Å; A200-R205 VanDerWaalsContact O-CZ 3.31Å; A200-R205 PolarHBondContact O-NE 3.34Å; A200-R205 PolarHBondContact O-NH2 3.4Å; T201-R205 WeakPolarHBondContact O-CG 3.3Å; T201-R205 PolarHBondContact O-N 2.91Å; P202-R205 PolarHBondContact O-N 3.09Å; V203-R205 PolarHBondContact O-N 3.29Å; R205-I208 PolarHBondContact O-N 3.05Å; R205-A209 WeakPolarHBondContact O-CB 3.45Å; R205-A209 PolarHBondContact O-N 3.44Å; R205-L246 WeakPolarHBondContact CD-O 3.47Å; R205-L246 PolarHBondContact NH1-O 3.21Å; R205-L247 HydrophobicContact CB-CD2 3.57Å |
| 206 | A | 89.5 | Confident | 88.8 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -37.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P202 V203 R204 K210 L247 S250 | P202-A206 PolarHBondContact O-N 3.23Å; V203-A206 PolarHBondContact O-N 3.2Å; R204-A206 VanDerWaalsContact C-N 3.33Å; R204-A206 PolarHBondContact O-N 3.16Å; A206-K210 WeakPolarHBondContact O-CB 3.49Å; A206-K210 PolarHBondContact O-N 3.17Å; A206-L247 HydrophobicContact CB-CD2 4.42Å; A206-S250 WeakPolarHBondContact CB-OG 3.46Å |
| 207 | E | 90.8 | Very high | 88.7 | Confident | 92 Ų | 92 | 61.6 Ų | 61.6 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 170.9 | -69.8 | 176.1 | 175.5 | 0 | 0 | 112.2 | V203 R204 K210 K211 | V203-E207 PolarHBondContact O-N 3.44Å; V203-E207 VanDerWaalsContact O-N 3.08Å; R204-E207 WeakPolarHBondContact CD-OE2 3.36Å; R204-E207 IonicContact CZ-OE2 3.65Å; R204-E207 IonicContact NH1-OE2 3.58Å; R204-E207 PolarHBondContact NH1-OE2 2.9Å; R204-E207 WeakPolarHBondContact O-CB 3.49Å; R204-E207 PolarHBondContact O-N 3.17Å; E207-K210 PolarHBondContact O-N 3.5Å; E207-K211 VanDerWaalsContact O-CB 3.32Å; E207-K211 WeakPolarHBondContact O-CB 3.36Å; E207-K211 PolarHBondContact O-N 3.03Å |
| 208 | I | 89.5 | Confident | 88.5 | Confident | 15 Ų | 15 | 62.8 Ų | 62.8 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 177.3 | -68.8 | 164 | 0 | 0 | 0 | 110 | L184 L191 F197 A200 R204 R205 K210 K211 L212 | L184-I208 HydrophobicContact CD1-CD1 4.16Å; L184-I208 HydrophobicContact CD1-CG1 4.32Å; L184-I208 HydrophobicContact CD1-CG2 3.99Å; L184-I208 HydrophobicContact CD2-CD1 4.13Å; L184-I208 HydrophobicContact CD2-CG2 4.45Å; L191-I208 HydrophobicContact CD1-CG2 4.32Å; L191-I208 HydrophobicContact CD2-CG2 4.36Å; F197-I208 HydrophobicContact CD2-CB 4.23Å; F197-I208 HydrophobicContact CD2-CD1 4.2Å; F197-I208 HydrophobicContact CD2-CG2 3.84Å; F197-I208 HydrophobicContact CE2-CB 4.06Å; F197-I208 HydrophobicContact CE2-CG2 3.93Å; A200-I208 HydrophobicContact CB-CD1 4.31Å; R204-I208 HydrophobicContact CG-CD1 4Å; R204-I208 VanDerWaalsContact O-CG1 3.25Å; R204-I208 WeakPolarHBondContact O-CG1 3.39Å; R204-I208 PolarHBondContact O-N 2.83Å; R205-I208 PolarHBondContact O-N 3.05Å; I208-K210 VanDerWaalsContact C-N 3.28Å; I208-K210 PolarHBondContact O-N 2.82Å; I208-K211 PolarHBondContact O-N 3.33Å; I208-L212 HydrophobicContact CG2-CD1 3.52Å; I208-L212 HydrophobicContact CG2-CG 4.18Å; I208-L212 VanDerWaalsContact O-CB 3.32Å; I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.44Å; I208-L212 PolarHBondContact O-N 3.06Å |
| 209 | A | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.4 | -41 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R205 Q213 Q214 F216 L219 L247 | R205-A209 WeakPolarHBondContact O-CB 3.45Å; R205-A209 PolarHBondContact O-N 3.44Å; A209-Q213 PolarHBondContact O-N 3.13Å; A209-Q213 VanDerWaalsContact O-N 3.11Å; A209-Q214 HydrophobicContact CB-CB 4.4Å; A209-Q214 PolarHBondContact O-N 3.4Å; A209-F216 HydrophobicContact CB-CE1 4.26Å; A209-L219 HydrophobicContact CB-CD2 4.07Å; A209-L247 HydrophobicContact CB-CD1 4.38Å |
| 210 | K | 88.4 | Confident | 88.1 | Confident | 99 Ų | 99 | 51.9 Ų | 51.9 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -48.1 | 174.9 | -168.9 | -178.4 | -179.7 | -173.2 | 0 | 112.2 | A206 E207 I208 L212 Q213 F216 R252 | A206-K210 WeakPolarHBondContact O-CB 3.49Å; A206-K210 PolarHBondContact O-N 3.17Å; E207-K210 PolarHBondContact O-N 3.5Å; I208-K210 VanDerWaalsContact C-N 3.28Å; I208-K210 PolarHBondContact O-N 2.82Å; K210-L212 VanDerWaalsContact C-N 3.31Å; K210-L212 PolarHBondContact O-N 2.81Å; K210-Q213 PolarHBondContact O-N 3.34Å; K210-Q213 PolarHBondContact O-NE2 3.16Å; K210-F216 HydrophobicContact CB-CZ 3.96Å; K210-F216 HydrophobicContact CG-CZ 4.47Å; K210-R252 VanDerWaalsContact NZ-NH1 3.11Å |
| 211 | K | 89 | Confident | 87.8 | Confident | 181 Ų | 181 | 54.7 Ų | 54.7 | 79% | 0.787 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | -179.3 | -175.2 | 178.6 | 178 | -177 | 0 | 111.1 | E207 I208 Q213 | E207-K211 VanDerWaalsContact O-CB 3.32Å; E207-K211 WeakPolarHBondContact O-CB 3.36Å; E207-K211 PolarHBondContact O-N 3.03Å; I208-K211 PolarHBondContact O-N 3.33Å; K211-Q213 VanDerWaalsContact C-N 3.3Å; K211-Q213 PolarHBondContact O-N 3.32Å |
| 212 | L | 86.4 | Confident | 87.2 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 23% | 0.225 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.4 | -179.6 | -60.2 | 179.3 | 0 | 0 | 0 | 113.7 | A183 L184 L191 I208 K210 Q214 | A183-L212 HydrophobicContact CB-CD1 3.82Å; A183-L212 HydrophobicContact CB-CD2 4.11Å; A183-L212 HydrophobicContact CB-CG 4.38Å; A183-L212 WeakPolarHBondContact O-CD2 3.24Å; L184-L212 HydrophobicContact CB-CD1 4.37Å; L191-L212 HydrophobicContact CD1-CD1 4.11Å; L191-L212 HydrophobicContact CD2-CD1 4.13Å; I208-L212 HydrophobicContact CG2-CD1 3.52Å; I208-L212 HydrophobicContact CG2-CG 4.18Å; I208-L212 VanDerWaalsContact O-CB 3.32Å; I208-L212 WeakPolarHBondContact O-CB 3.32Å; I208-L212 VanDerWaalsContact O-CG 3.3Å; I208-L212 WeakPolarHBondContact O-CG 3.44Å; I208-L212 PolarHBondContact O-N 3.06Å; K210-L212 VanDerWaalsContact C-N 3.31Å; K210-L212 PolarHBondContact O-N 2.81Å; L212-Q214 HydrophobicContact CB-CG 3.82Å; L212-Q214 PolarHBondContact O-N 3.29Å; L212-Q214 VanDerWaalsContact O-N 3.15Å; L212-Q214 PolarHBondContact O-NE2 3.02Å |
| 213 | Q | 85.9 | Confident | 87 | Confident | 119 Ų | 119 | 54.7 Ų | 54.7 | 56% | 0.556 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 35.9 | -178.8 | -65.1 | -67.3 | -60.6 | 0 | 0 | 114 | A209 K210 K211 | A209-Q213 PolarHBondContact O-N 3.13Å; A209-Q213 VanDerWaalsContact O-N 3.11Å; K210-Q213 PolarHBondContact O-N 3.34Å; K210-Q213 PolarHBondContact O-NE2 3.16Å; K211-Q213 VanDerWaalsContact C-N 3.3Å; K211-Q213 PolarHBondContact O-N 3.32Å |
| 214 | Q | 86.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 58.5 Ų | 58.5 | 10% | 0.103 | 29% | 0.288 | C | S | . | . | trans | -81.6 | 149.2 | 178.7 | -56.8 | -63.3 | -50.2 | 0 | 0 | 110.8 | L191 A209 L212 F216 L219 | L191-Q214 HydrophobicContact CD2-CB 4.5Å; L191-Q214 HydrophobicContact CD2-CG 3.76Å; A209-Q214 HydrophobicContact CB-CB 4.4Å; A209-Q214 PolarHBondContact O-N 3.4Å; L212-Q214 HydrophobicContact CB-CG 3.82Å; L212-Q214 PolarHBondContact O-N 3.29Å; L212-Q214 VanDerWaalsContact O-N 3.15Å; L212-Q214 PolarHBondContact O-NE2 3.02Å; Q214-F216 PolarHBondContact O-N 2.91Å; Q214-L219 PolarHBondContact OE1-O 2.86Å | ||
| 215 | C | 87.3 | Confident | 86.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | -59.3 | 121.6 | 172.1 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | A217 C218 L219 S220 H223 A225 | C215-A217 PolarHBondContact O-N 3.4Å; C215-A217 PolarHBondContact SG-N 2.87Å; C215-C218 VanDerWaalsContact CB-SG 3.54Å; C215-C218 PolarHBondContact O-N 3.11Å; C215-C218 VanDerWaalsContact SG-SG 3.61Å; C215-L219 WeakPolarHBondContact O-CA 3.36Å; C215-L219 PolarHBondContact O-N 3.08Å; C215-S220 WeakPolarHBondContact CB-O 3.35Å; C215-S220 PolarHBondContact N-O 3.36Å; C215-H223 VanDerWaalsContact CB-O 3.28Å; C215-H223 WeakPolarHBondContact CB-O 3.13Å; C215-H223 PolarHBondContact SG-CD2 3.01Å; C215-H223 PolarHBondContact SG-NE2 3.5Å; C215-H223 VanDerWaalsContact SG-NE2 3.36Å; C215-A225 VanDerWaalsContact SG-CA 3.53Å | ||
| 216 | F | 88.3 | Confident | 85.7 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.1 | 176.5 | -71.9 | -93.1 | 0 | 0 | 0 | 113.1 | A209 K210 Q214 A225 H243 H244 L247 | A209-F216 HydrophobicContact CB-CE1 4.26Å; K210-F216 HydrophobicContact CB-CZ 3.96Å; K210-F216 HydrophobicContact CG-CZ 4.47Å; Q214-F216 PolarHBondContact O-N 2.91Å; F216-A225 HydrophobicContact CB-CB 4.17Å; F216-H243 CarbonylContact O-C 3.51Å; F216-H243 WeakPolarHBondContact O-CA 3.4Å; F216-H244 WeakPolarHBondContact O-CB 3.16Å; F216-H244 PolarHBondContact O-N 3.27Å; F216-L247 HydrophobicContact CB-CD1 4.28Å; F216-L247 HydrophobicContact CD1-CD1 3.66Å; F216-L247 HydrophobicContact CE1-CD1 4.45Å; F216-L247 HydrophobicContact CG-CD1 4.38Å |
| 217 | A | 87.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -39.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | C215 A225 C228 V232 H244 | C215-A217 PolarHBondContact O-N 3.4Å; C215-A217 PolarHBondContact SG-N 2.87Å; A217-A225 HydrophobicContact CB-CB 4.26Å; A217-C228 HydrophobicContact CB-CB 4.02Å; A217-V232 HydrophobicContact CB-CB 4.27Å; A217-V232 WeakPolarHBondContact O-CB 3.27Å; A217-V232 VanDerWaalsContact O-CG1 3.3Å; A217-V232 WeakPolarHBondContact O-CG1 3.25Å; A217-H244 WeakPolarHBondContact O-CB 3.39Å |
| 218 | C | 85.5 | Confident | 84.9 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 17% | 0.169 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 0.9 | -174.2 | 72.6 | 0 | 0 | 0 | 0 | 115.6 | C215 S220 H223 F230 | C215-C218 VanDerWaalsContact CB-SG 3.54Å; C215-C218 PolarHBondContact O-N 3.11Å; C215-C218 VanDerWaalsContact SG-SG 3.61Å; C218-S220 PolarHBondContact O-N 2.88Å; C218-S220 PolarHBondContact SG-OG 3.2Å; C218-H223 PolarHBondContact SG-CE1 3.19Å; C218-H223 PolarHBondContact SG-NE2 3.22Å; C218-F230 HydrophobicContact CB-CD2 3.95Å |
| 219 | L | 86 | Confident | 84.3 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | trans | 56.6 | 28.9 | -177.2 | -58.7 | 173.8 | 0 | 0 | 0 | 114.7 | C192 F197 A209 Q214 C215 H244 L246 L247 | C192-L219 HydrophobicContact CB-CB 4.46Å; C192-L219 HydrophobicContact CB-CD1 3.82Å; F197-L219 HydrophobicContact CE1-CD1 3.57Å; F197-L219 HydrophobicContact CZ-CD1 3.95Å; F197-L219 HydrophobicContact CZ-CD2 4.05Å; A209-L219 HydrophobicContact CB-CD2 4.07Å; Q214-L219 PolarHBondContact OE1-O 2.86Å; C215-L219 WeakPolarHBondContact O-CA 3.36Å; C215-L219 PolarHBondContact O-N 3.08Å; L219-H244 HydrophobicContact CD1-CB 4.14Å; L219-H244 WeakPolarHBondContact CD1-ND1 3.3Å; L219-H244 HydrophobicContact CG-CB 3.92Å; L219-L246 HydrophobicContact CD1-CD1 4.18Å; L219-L247 HydrophobicContact CD2-CD1 3.97Å; L219-L247 HydrophobicContact CD2-CD2 4.44Å; L219-L247 HydrophobicContact CD2-CG 4.26Å | ||
| 220 | S | 82.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 70 Ų | 70 | 22% | 0.217 | 35% | 0.351 | C | S | . | . | trans | -98.6 | 148.5 | 174 | 86.8 | 0 | 0 | 0 | 0 | 112.5 | C215 C218 S222 H223 | C215-S220 WeakPolarHBondContact CB-O 3.35Å; C215-S220 PolarHBondContact N-O 3.36Å; C218-S220 PolarHBondContact O-N 2.88Å; C218-S220 PolarHBondContact SG-OG 3.2Å; S220-S222 PolarHBondContact O-N 3.19Å; S220-S222 PolarHBondContact OG-OG 3.18Å; S220-S222 VanDerWaalsContact OG-OG 3.05Å; S220-H223 PolarHBondContact OG-CE1 3.37Å; S220-H223 PolarHBondContact OG-ND1 2.96Å | ||
| 221 | A | 82.2 | Confident | 82.8 | Confident | 76 Ų | 76 | 75.2 Ų | 75.2 | 63% | 0.628 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H223 | A221-H223 PolarHBondContact O-N 3.26Š|
| 222 | S | 78.2 | Confident | 82 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 69% | 0.685 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -18.9 | -165.7 | 63 | 0 | 0 | 0 | 0 | 114.7 | S220 | S220-S222 PolarHBondContact O-N 3.19Å; S220-S222 PolarHBondContact OG-OG 3.18Å; S220-S222 VanDerWaalsContact OG-OG 3.05Å |
| 223 | H | 84.3 | Confident | 81.7 | Confident | 33 Ų | 33 | 69.3 Ų | 69.3 | 15% | 0.153 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -159.4 | 167.7 | -174 | 57 | -91.9 | 0 | 0 | 0 | 112.1 | C215 C218 S220 A221 C228 | C215-H223 VanDerWaalsContact CB-O 3.28Å; C215-H223 WeakPolarHBondContact CB-O 3.13Å; C215-H223 PolarHBondContact SG-CD2 3.01Å; C215-H223 PolarHBondContact SG-NE2 3.5Å; C215-H223 VanDerWaalsContact SG-NE2 3.36Å; C218-H223 PolarHBondContact SG-CE1 3.19Å; C218-H223 PolarHBondContact SG-NE2 3.22Å; S220-H223 PolarHBondContact OG-CE1 3.37Å; S220-H223 PolarHBondContact OG-ND1 2.96Å; A221-H223 PolarHBondContact O-N 3.26Å; H223-C228 WeakPolarHBondContact CD2-CA 3.42Å; H223-C228 PolarHBondContact NE2-SG 3.28Å |
| 224 | R | 82 | Confident | 81.5 | Confident | 147 Ų | 147 | 63.7 Ų | 63.7 | 56% | 0.555 | 33% | 0.33 | S | S | * | . | trans | -91.5 | 155.6 | 171.3 | -65.3 | -172.7 | 175.4 | -177.4 | 0.1 | 110.7 | R226 F227 C228 | R224-R226 HydrophobicContact CB-CG 4.26Å; R224-R226 PolarHBondContact O-N 3.3Å; R224-F227 CarbonylContact O-C 3.57Å; R224-F227 WeakPolarHBondContact O-CA 3.48Å; R224-F227 PolarHBondContact O-N 3.19Å; R224-C228 PolarHBondContact O-N 3.19Å; R224-C228 VanDerWaalsContact O-N 3.16Å | ||
| 225 | A | 80.4 | Confident | 81.2 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -50.6 | -37.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C215 F216 A217 F227 C228 | C215-A225 VanDerWaalsContact SG-CA 3.53Å; F216-A225 HydrophobicContact CB-CB 4.17Å; A217-A225 HydrophobicContact CB-CB 4.26Å; A225-F227 PolarHBondContact O-N 3.49Å; A225-C228 WeakPolarHBondContact O-CB 3.2Å; A225-C228 PolarHBondContact O-N 3.37Å; A225-C228 VanDerWaalsContact O-N 3.12Å |
| 226 | R | 79.9 | Confident | 81 | Confident | 166 Ų | 166 | 67.1 Ų | 67.1 | 63% | 0.626 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -61.6 | -28.2 | 175.8 | 69.1 | -178.9 | -177.9 | -178.1 | 2.6 | 114.6 | R224 | R224-R226 HydrophobicContact CB-CG 4.26Å; R224-R226 PolarHBondContact O-N 3.3Å |
| 227 | F | 80.9 | Confident | 80.7 | Confident | 134 Ų | 134 | 71.8 Ų | 71.8 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -109.3 | 17.1 | 178.5 | -56.6 | -54.2 | 0 | 0 | 0 | 111.6 | R224 A225 P229 | R224-F227 CarbonylContact O-C 3.57Å; R224-F227 WeakPolarHBondContact O-CA 3.48Å; R224-F227 PolarHBondContact O-N 3.19Å; A225-F227 PolarHBondContact O-N 3.49Å; F227-P229 WeakPolarHBondContact O-CD 3.36Å |
| 228 | C | 82.6 | Confident | 80.4 | Confident | 11 Ų | 11 | 74.7 Ų | 74.7 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | trans | -67.4 | 121.6 | 177.9 | -169.5 | 0 | 0 | 0 | 0 | 109.4 | A217 H223 R224 A225 F230 | A217-C228 HydrophobicContact CB-CB 4.02Å; H223-C228 WeakPolarHBondContact CD2-CA 3.42Å; H223-C228 PolarHBondContact NE2-SG 3.28Å; R224-C228 PolarHBondContact O-N 3.19Å; R224-C228 VanDerWaalsContact O-N 3.16Å; A225-C228 WeakPolarHBondContact O-CB 3.2Å; A225-C228 PolarHBondContact O-N 3.37Å; A225-C228 VanDerWaalsContact O-N 3.12Å; C228-F230 PolarHBondContact O-N 3.23Å | ||
| 229 | P | 78.1 | Confident | 80.4 | Confident | 101 Ų | 101 | 74.8 Ų | 74.8 | 66% | 0.656 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -69.5 | -20.3 | 176.6 | 29.6 | -34.3 | 0 | 0 | 0 | 111.5 | F227 | F227-P229 WeakPolarHBondContact O-CD 3.36Š|
| 230 | F | 76.2 | Confident | 80.2 | Confident | 98 Ų | 98 | 83.3 Ų | 83.3 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -83.1 | 128.9 | 176.6 | -53.7 | -74.4 | 0 | 0 | 0 | 110 | C218 C228 V232 | C218-F230 HydrophobicContact CB-CD2 3.95Å; C228-F230 PolarHBondContact O-N 3.23Å; F230-V232 HydrophobicContact CB-CG2 3.59Å; F230-V232 PolarHBondContact O-N 2.85Å |
| 231 | K | 70.2 | Confident | 80.1 | Confident | 207 Ų | 207 | 87.2 Ų | 87.2 | 90% | 0.9 | 47% | 0.472 | S | S | * | . | trans | -78.3 | 56.8 | 172 | -66.7 | -177.1 | -178.2 | 177.5 | 0 | 110.6 | S233 | K231-S233 PolarHBondContact O-N 3.08Š| ||
| 232 | V | 71.6 | Confident | 80.2 | Confident | 39 Ų | 39 | 89.6 Ų | 89.6 | 24% | 0.236 | 47% | 0.465 | C | S | . | . | trans | -76.2 | 115.7 | -179.6 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | A217 F230 | A217-V232 HydrophobicContact CB-CB 4.27Å; A217-V232 WeakPolarHBondContact O-CB 3.27Å; A217-V232 VanDerWaalsContact O-CG1 3.3Å; A217-V232 WeakPolarHBondContact O-CG1 3.25Å; F230-V232 HydrophobicContact CB-CG2 3.59Å; F230-V232 PolarHBondContact O-N 2.85Å | ||
| 233 | S | 79.5 | Confident | 80.6 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 43% | 0.434 | 43% | 0.433 | S | S | . | . | trans | -104 | 149.5 | 158.5 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | K231 | K231-S233 PolarHBondContact O-N 3.08Š| ||
| 234 | C | 83.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 85.6 Ų | 85.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -57.7 | -55.6 | -179.7 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | V236 C239 Q241 H243 R245 H248 | C234-V236 PolarHBondContact O-N 3.39Å; C234-C239 HydrophobicContact CB-CB 3.94Å; C234-Q241 PolarHBondContact N-O 3.24Å; C234-H243 VanDerWaalsContact CB-NE2 3.28Å; C234-H243 WeakPolarHBondContact CB-NE2 3.24Å; C234-H243 PolarHBondContact SG-NE2 3.46Å; C234-R245 WeakPolarHBondContact O-CG 3.37Å; C234-R245 PolarHBondContact O-NE 2.81Å; C234-R245 VanDerWaalsContact O-NE 3.08Å; C234-H248 PolarHBondContact SG-ND1 3.12Å | ||
| 235 | G | 79.6 | Confident | 80.9 | Confident | 48 Ų | 48 | 86 Ų | 86 | 50% | 0.495 | 44% | 0.437 | S | S | . | . | trans | 71.4 | -1.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | C239 | G235-C239 PolarHBondContact N-O 3.03Š| ||
| 236 | V | 82.5 | Confident | 81.3 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -79.1 | 127.9 | 170.8 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | C234 G238 C239 R245 | C234-V236 PolarHBondContact O-N 3.39Å; V236-G238 PolarHBondContact O-N 3.06Å; V236-G238 VanDerWaalsContact O-N 3.12Å; V236-C239 WeakPolarHBondContact O-CB 3.44Å; V236-C239 PolarHBondContact O-N 3.47Å; V236-R245 HydrophobicContact CG2-CB 4.31Å; V236-R245 HydrophobicContact CG2-CG 4.16Å |
| 237 | D | 82.9 | Confident | 81.7 | Confident | 153 Ų | 153 | 78.7 Ų | 78.7 | 82% | 0.818 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | 49.5 | 38 | 177.5 | -55.4 | -33.9 | 0 | 0 | 0 | 114.7 | C239 | D237-C239 VanDerWaalsContact C-N 3.26Å; D237-C239 PolarHBondContact O-N 2.87Å |
| 238 | G | 81 | Confident | 82 | Confident | 62 Ų | 62 | 75 Ų | 75 | 64% | 0.639 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | 74.2 | 12.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V236 K240 | V236-G238 PolarHBondContact O-N 3.06Å; V236-G238 VanDerWaalsContact O-N 3.12Å; G238-K240 PolarHBondContact O-N 3.27Å |
| 239 | C | 84.9 | Confident | 82 | Confident | 26 Ų | 26 | 77.2 Ų | 77.2 | 18% | 0.176 | 42% | 0.415 | C | S | . | . | trans | -67.1 | 113.7 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | C234 G235 V236 D237 H243 | C234-C239 HydrophobicContact CB-CB 3.94Å; G235-C239 PolarHBondContact N-O 3.03Å; V236-C239 WeakPolarHBondContact O-CB 3.44Å; V236-C239 PolarHBondContact O-N 3.47Å; D237-C239 VanDerWaalsContact C-N 3.26Å; D237-C239 PolarHBondContact O-N 2.87Å; C239-H243 PolarHBondContact SG-CE1 2.94Å | ||
| 240 | K | 80.8 | Confident | 82.2 | Confident | 187 Ų | 187 | 72.9 Ų | 72.9 | 81% | 0.813 | 39% | 0.388 | S | S | * | . | trans | -90.2 | 3.6 | 179.6 | -59 | -175.8 | -177.8 | -179.9 | 0 | 114 | G238 | G238-K240 PolarHBondContact O-N 3.27Š| ||
| 241 | Q | 81.9 | Confident | 81.8 | Confident | 114 Ų | 114 | 73.8 Ų | 73.8 | 53% | 0.533 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -73.7 | 152 | -177.4 | -63.8 | -58.2 | -28.2 | 0 | 0 | 111.8 | C234 H243 | C234-Q241 PolarHBondContact N-O 3.24Å; Q241-H243 VanDerWaalsContact C-N 3.31Å; Q241-H243 VanDerWaalsContact CB-ND1 3.33Å; Q241-H243 WeakPolarHBondContact CB-ND1 3.39Å; Q241-H243 PolarHBondContact O-N 2.88Å; Q241-H243 VanDerWaalsContact O-N 3.11Å |
| 242 | R | 82.5 | Confident | 81.2 | Confident | 126 Ų | 126 | 71.9 Ų | 71.9 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -88.2 | 61.9 | -175.4 | -66.8 | -174 | 68 | -172.3 | 1 | 112.2 | ||
| 243 | H | 87 | Confident | 80.4 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 1% | 0.014 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -128.7 | 156.2 | 173.7 | 59.8 | -98.6 | 0 | 0 | 0 | 111.8 | F216 C234 C239 Q241 L247 H248 A253 | F216-H243 CarbonylContact O-C 3.51Å; F216-H243 WeakPolarHBondContact O-CA 3.4Å; C234-H243 VanDerWaalsContact CB-NE2 3.28Å; C234-H243 WeakPolarHBondContact CB-NE2 3.24Å; C234-H243 PolarHBondContact SG-NE2 3.46Å; C239-H243 PolarHBondContact SG-CE1 2.94Å; Q241-H243 VanDerWaalsContact C-N 3.31Å; Q241-H243 VanDerWaalsContact CB-ND1 3.33Å; Q241-H243 WeakPolarHBondContact CB-ND1 3.39Å; Q241-H243 PolarHBondContact O-N 2.88Å; Q241-H243 VanDerWaalsContact O-N 3.11Å; H243-L247 HydrophobicContact CB-CB 4.41Å; H243-H248 WeakPolarHBondContact NE2-CA 3.49Å; H243-H248 AromaticContact NE2-CG 3.97Å; H243-H248 AromaticContact NE2-ND1 3.45Å; H243-H248 PolarHBondContact NE2-ND1 2.98Å; H243-A253 HydrophobicContact CB-CB 4.21Å; H243-A253 WeakPolarHBondContact CB-OXT 3.45Å; H243-A253 WeakPolarHBondContact CE1-CB 3.03Å; H243-A253 WeakPolarHBondContact ND1-CB 3.41Å; H243-A253 PolarHBondContact ND1-OXT 2.89Å |
| 244 | H | 86.4 | Confident | 80.5 | Confident | 44 Ų | 44 | 72.4 Ų | 72.4 | 20% | 0.204 | 39% | 0.393 | C | S | . | . | trans | -65.5 | 139.6 | 173.2 | -170.1 | -86.7 | 0 | 0 | 0 | 109.8 | F216 A217 L219 L246 L247 | F216-H244 WeakPolarHBondContact O-CB 3.16Å; F216-H244 PolarHBondContact O-N 3.27Å; A217-H244 WeakPolarHBondContact O-CB 3.39Å; L219-H244 HydrophobicContact CD1-CB 4.14Å; L219-H244 WeakPolarHBondContact CD1-ND1 3.3Å; L219-H244 HydrophobicContact CG-CB 3.92Å; H244-L246 WeakPolarHBondContact ND1-CB 3.45Å; H244-L246 PolarHBondContact ND1-N 2.95Å; H244-L246 PolarHBondContact O-N 3.25Å; H244-L247 HydrophobicContact CB-CG 4.49Å; H244-L247 WeakPolarHBondContact O-CA 3.39Å; H244-L247 WeakPolarHBondContact O-CB 3.26Å; H244-L247 PolarHBondContact O-N 2.96Å | ||
| 245 | R | 87.7 | Confident | 80.3 | Confident | 156 Ų | 156 | 76.2 Ų | 76.2 | 59% | 0.589 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -48.3 | -37.1 | -178.4 | -68.3 | -179 | -177.8 | -170.6 | 4.1 | 114.3 | C234 V236 L247 H248 | C234-R245 WeakPolarHBondContact O-CG 3.37Å; C234-R245 PolarHBondContact O-NE 2.81Å; C234-R245 VanDerWaalsContact O-NE 3.08Å; V236-R245 HydrophobicContact CG2-CB 4.31Å; V236-R245 HydrophobicContact CG2-CG 4.16Å; R245-L247 PolarHBondContact O-N 3.45Å; R245-H248 VanDerWaalsContact O-CB 3.24Å; R245-H248 WeakPolarHBondContact O-CB 3.47Å; R245-H248 PolarHBondContact O-N 2.86Å; R245-H248 VanDerWaalsContact O-N 3.16Å |
| 246 | L | 87.2 | Confident | 80.4 | Confident | 36 Ų | 36 | 77.8 Ų | 77.8 | 19% | 0.188 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -64.2 | -18.8 | 176.5 | -65.1 | 174.8 | 0 | 0 | 0 | 114.4 | C192 F197 R205 L219 H244 | C192-L246 HydrophobicContact CB-CD1 4.15Å; F197-L246 HydrophobicContact CD1-CD1 4.16Å; F197-L246 HydrophobicContact CE1-CB 4.17Å; F197-L246 HydrophobicContact CE1-CD1 3.95Å; R205-L246 WeakPolarHBondContact CD-O 3.47Å; R205-L246 PolarHBondContact NH1-O 3.21Å; L219-L246 HydrophobicContact CD1-CD1 4.18Å; H244-L246 WeakPolarHBondContact ND1-CB 3.45Å; H244-L246 PolarHBondContact ND1-N 2.95Å; H244-L246 PolarHBondContact O-N 3.25Å |
| 247 | L | 88.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -95.2 | -2 | 177.7 | -59.7 | -174.4 | 0 | 0 | 0 | 113.3 | F197 R205 A206 A209 F216 L219 H243 H244 R245 G249 S250 A253 | F197-L247 HydrophobicContact CZ-CD2 4.03Å; R205-L247 HydrophobicContact CB-CD2 3.57Å; A206-L247 HydrophobicContact CB-CD2 4.42Å; A209-L247 HydrophobicContact CB-CD1 4.38Å; F216-L247 HydrophobicContact CB-CD1 4.28Å; F216-L247 HydrophobicContact CD1-CD1 3.66Å; F216-L247 HydrophobicContact CE1-CD1 4.45Å; F216-L247 HydrophobicContact CG-CD1 4.38Å; L219-L247 HydrophobicContact CD2-CD1 3.97Å; L219-L247 HydrophobicContact CD2-CD2 4.44Å; L219-L247 HydrophobicContact CD2-CG 4.26Å; H243-L247 HydrophobicContact CB-CB 4.41Å; H244-L247 HydrophobicContact CB-CG 4.49Å; H244-L247 WeakPolarHBondContact O-CA 3.39Å; H244-L247 WeakPolarHBondContact O-CB 3.26Å; H244-L247 PolarHBondContact O-N 2.96Å; R245-L247 PolarHBondContact O-N 3.45Å; L247-G249 PolarHBondContact O-N 3.49Å; L247-S250 WeakPolarHBondContact O-CB 3.11Å; L247-S250 PolarHBondContact O-N 3.2Å; L247-S250 PolarHBondContact O-OG 3.19Å; L247-A253 WeakPolarHBondContact O-CB 3.33Å |
| 248 | H | 88.2 | Confident | 80.1 | Confident | 56 Ų | 56 | 75.1 Ų | 75.1 | 26% | 0.259 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134 | 178.5 | -173.3 | 75.4 | 0 | 0 | 0 | 111.2 | P202 C234 H243 R245 | P202-H248 WeakPolarHBondContact CB-O 3.47Å; P202-H248 WeakPolarHBondContact CG-O 3.47Å; C234-H248 PolarHBondContact SG-ND1 3.12Å; H243-H248 WeakPolarHBondContact NE2-CA 3.49Å; H243-H248 AromaticContact NE2-CG 3.97Å; H243-H248 AromaticContact NE2-ND1 3.45Å; H243-H248 PolarHBondContact NE2-ND1 2.98Å; R245-H248 VanDerWaalsContact O-CB 3.24Å; R245-H248 WeakPolarHBondContact O-CB 3.47Å; R245-H248 PolarHBondContact O-N 2.86Å; R245-H248 VanDerWaalsContact O-N 3.16Å |
| 249 | G | 81.3 | Confident | 80 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 59% | 0.588 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.2 | 5.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | L247 | L247-G249 PolarHBondContact O-N 3.49Š|
| 250 | S | 82.6 | Confident | 79.6 | Confident | 11 Ų | 11 | 79.5 Ų | 79.5 | 8% | 0.077 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -92.8 | 146.9 | 169.5 | 74.3 | 0 | 0 | 0 | 0 | 111.7 | P202 A206 L247 R252 A253 | P202-S250 WeakPolarHBondContact O-CB 3.33Å; A206-S250 WeakPolarHBondContact CB-OG 3.46Å; L247-S250 WeakPolarHBondContact O-CB 3.11Å; L247-S250 PolarHBondContact O-N 3.2Å; L247-S250 PolarHBondContact O-OG 3.19Å; S250-R252 PolarHBondContact O-N 2.93Å; S250-A253 WeakPolarHBondContact O-CB 3.28Å; S250-A253 PolarHBondContact O-N 3.12Å; S250-A253 VanDerWaalsContact O-N 3.09Å; S250-A253 WeakPolarHBondContact OG-CB 3.06Å |
| 251 | P | 68.5 | Low | 79.6 | Confident | 116 Ų | 116 | 71.2 Ų | 71.2 | 75% | 0.753 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | 3.5 | -178.1 | 25.7 | -33.7 | 0 | 0 | 0 | 114.6 | ||
| 252 | R | 58.1 | Low | 79.4 | Confident | 167 Ų | 167 | 67.7 Ų | 67.7 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | 14.9 | 177.2 | -70.4 | -170.9 | 170.7 | 139.5 | 3.4 | 112.7 | K210 S250 | K210-R252 VanDerWaalsContact NZ-NH1 3.11Å; S250-R252 PolarHBondContact O-N 2.93Å |
| 253 | A | 54.1 | Low | 79.1 | Confident | 40 Ų | 40 | 62.4 Ų | 62.4 | 33% | 0.331 | 33% | 0.33 | S | S | . | . | trans | -80.5 | 0 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | H243 L247 S250 | H243-A253 HydrophobicContact CB-CB 4.21Å; H243-A253 WeakPolarHBondContact CB-OXT 3.45Å; H243-A253 WeakPolarHBondContact CE1-CB 3.03Å; H243-A253 WeakPolarHBondContact ND1-CB 3.41Å; H243-A253 PolarHBondContact ND1-OXT 2.89Å; L247-A253 WeakPolarHBondContact O-CB 3.33Å; S250-A253 WeakPolarHBondContact O-CB 3.28Å; S250-A253 PolarHBondContact O-N 3.12Å; S250-A253 VanDerWaalsContact O-N 3.09Å; S250-A253 WeakPolarHBondContact OG-CB 3.06Å |
Retrieved 253 of 253 residues in 338.6 ms
(Link to these results)