| 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 | 40.7 | Very low | 64 | Low | 244 Ų | 244 | 86.5 Ų | 86.5 | 100% | 1.202 | 51% | 0.513 | S | S | * | . | 0 | 105.7 | 0 | -62.3 | -173.3 | -158.2 | 0 | 0 | 106.7 | G3 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.89Å | |||
| 2 | S | 51.4 | Low | 64.1 | Low | 109 Ų | 109 | 82.5 Ų | 82.5 | 76% | 0.762 | 50% | 0.503 | S | S | * | . | trans | -73.5 | 91 | 178 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 3 | G | 64.6 | Low | 65.6 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 31% | 0.309 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 145.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 K11 | M1-G3 VanDerWaalsContact C-N 3.33Å; M1-G3 PolarHBondContact O-N 2.89Å; G3-K11 WeakPolarHBondContact O-CB 3.45Å; G3-K11 VanDerWaalsContact O-CG 3.23Å; G3-K11 WeakPolarHBondContact O-CG 3.12Å; G3-K11 PolarHBondContact O-N 3.09Å |
| 4 | L | 65.5 | Low | 67.6 | Low | 113 Ų | 113 | 74.4 Ų | 74.4 | 59% | 0.592 | 45% | 0.449 | S | S | * | . | B | Isolated β-bridge | trans | -88.7 | 145.4 | 167.3 | -61.8 | 175.8 | 0 | 0 | 0 | 108.4 | G8 L9 | L4-G8 WeakPolarHBondContact CD2-O 3.48Å; L4-L9 CarbonylContact C-O 3.47Å; L4-L9 WeakPolarHBondContact CA-O 3.43Å |
| 5 | A | 67 | Low | 69.5 | Low | 6 Ų | 6 | 69.5 Ų | 69.5 | 5% | 0.05 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 166.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D7 G8 L9 D96 | A5-D7 WeakPolarHBondContact CB-OD1 3.42Å; A5-D7 PolarHBondContact O-N 3.31Å; A5-G8 PolarHBondContact O-N 2.8Å; A5-L9 PolarHBondContact N-O 3.28Å; A5-D96 VanDerWaalsContact CA-OD2 3.26Å; A5-D96 WeakPolarHBondContact CA-OD2 3.47Å; A5-D96 WeakPolarHBondContact CB-OD2 3.46Å |
| 6 | P | 71.4 | Confident | 71.3 | Confident | 129 Ų | 129 | 65.1 Ų | 65.1 | 84% | 0.838 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.9 | 178.4 | -27.6 | 35.9 | 0 | 0 | 0 | 114.9 | ||
| 7 | D | 75.9 | Confident | 72.8 | Confident | 69 Ų | 69 | 61.4 Ų | 61.4 | 37% | 0.369 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.8 | 176.3 | 57.9 | 7.4 | 0 | 0 | 0 | 114.1 | A5 L9 R14 K41 | A5-D7 WeakPolarHBondContact CB-OD1 3.42Å; A5-D7 PolarHBondContact O-N 3.31Å; D7-L9 VanDerWaalsContact C-N 3.31Å; D7-L9 PolarHBondContact O-N 3Å; D7-R14 IonicContact OD1-NH1 2.62Å; D7-R14 PolarHBondContact OD1-NH1 2.77Å; D7-R14 VanDerWaalsContact OD1-NH1 3.11Å; D7-R14 IonicContact OD2-CZ 2.84Å; D7-R14 IonicContact OD2-NH1 3.01Å; D7-R14 PolarHBondContact OD2-NH1 3.43Å; D7-K41 WeakPolarHBondContact OD2-CD 3.45Å; D7-K41 IonicContact OD2-NZ 3.46Å; D7-K41 PolarHBondContact OD2-NZ 2.65Å |
| 8 | G | 71 | Confident | 74.1 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 45% | 0.454 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 80.8 | 2.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115 | L4 A5 | L4-G8 WeakPolarHBondContact CD2-O 3.48Å; A5-G8 PolarHBondContact O-N 2.8Å |
| 9 | L | 67.1 | Low | 75.1 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 24% | 0.241 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 147.2 | 172.9 | -71.4 | 171.5 | 0 | 0 | 0 | 111 | L4 A5 D7 K11 K41 | L4-L9 CarbonylContact C-O 3.47Å; L4-L9 WeakPolarHBondContact CA-O 3.43Å; A5-L9 PolarHBondContact N-O 3.28Å; D7-L9 VanDerWaalsContact C-N 3.31Å; D7-L9 PolarHBondContact O-N 3Å; L9-K11 PolarHBondContact O-N 3.48Å; L9-K41 HydrophobicContact CD1-CB 4.04Å; L9-K41 HydrophobicContact CD1-CD 4.19Å |
| 10 | P | 65.2 | Low | 76.1 | Confident | 56 Ų | 56 | 53.8 Ų | 53.8 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -61 | 132.7 | 172.3 | -16.9 | 28.8 | 0 | 0 | 0 | 110.5 | G12 N13 | P10-G12 PolarHBondContact O-N 3.46Å; P10-N13 PolarHBondContact O-ND2 3.3Å |
| 11 | K | 64.2 | Low | 77 | Confident | 106 Ų | 106 | 51.5 Ų | 51.5 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 137.7 | 165.3 | -76.2 | -177 | -179.7 | -115.2 | 0 | 109.5 | G3 L9 D96 | G3-K11 WeakPolarHBondContact O-CB 3.45Å; G3-K11 VanDerWaalsContact O-CG 3.23Å; G3-K11 WeakPolarHBondContact O-CG 3.12Å; G3-K11 PolarHBondContact O-N 3.09Å; L9-K11 PolarHBondContact O-N 3.48Å; K11-D96 WeakPolarHBondContact CE-OD1 3.17Å; K11-D96 IonicContact NZ-OD1 3.61Å; K11-D96 PolarHBondContact NZ-OD1 3.19Å; K11-D96 IonicContact NZ-OD2 3.75Å |
| 12 | G | 65.2 | Low | 79.5 | Confident | 38 Ų | 38 | 40 Ų | 40 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 109.5 | -1.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P10 D98 | P10-G12 PolarHBondContact O-N 3.46Å; G12-D98 WeakPolarHBondContact CA-OD1 3.19Å; G12-D98 WeakPolarHBondContact CA-OD2 3.38Å; G12-D98 VanDerWaalsContact N-CG 3.27Å; G12-D98 PolarHBondContact N-OD1 3.18Å; G12-D98 PolarHBondContact N-OD2 3.16Å |
| 13 | N | 83.6 | Confident | 81.5 | Confident | 38 Ų | 38 | 35 Ų | 35 | 20% | 0.203 | 22% | 0.222 | C | C | . | . | trans | -124.8 | 10.7 | -172.9 | -70.9 | -62.2 | 0 | 0 | 0 | 114.7 | P10 G39 Q40 K41 D98 | P10-N13 PolarHBondContact O-ND2 3.3Å; N13-G39 CarbonylContact O-C 3.57Å; N13-Q40 HydrophobicContact CB-CB 4.08Å; N13-Q40 HydrophobicContact CB-CG 4.12Å; N13-Q40 PolarHBondContact O-N 3.38Å; N13-K41 PolarHBondContact O-N 3.04Å; N13-D98 PolarHBondContact N-OD2 3.5Å | ||
| 14 | R | 93.8 | Very high | 82.9 | Confident | 14 Ų | 14 | 34.2 Ų | 34.2 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 119.2 | -176.2 | -64.9 | 174.6 | 70.9 | 90.6 | -1.8 | 109.7 | D7 K41 Y95 D96 C97 D98 | D7-R14 IonicContact OD1-NH1 2.62Å; D7-R14 PolarHBondContact OD1-NH1 2.77Å; D7-R14 VanDerWaalsContact OD1-NH1 3.11Å; D7-R14 IonicContact OD2-CZ 2.84Å; D7-R14 IonicContact OD2-NH1 3.01Å; D7-R14 PolarHBondContact OD2-NH1 3.43Å; R14-K41 WeakPolarHBondContact CA-O 3.35Å; R14-K41 HydrophobicContact CG-CB 4.45Å; R14-Y95 PolarHBondContact NE-O 2.8Å; R14-Y95 VanDerWaalsContact NE-O 3.08Å; R14-Y95 PolarHBondContact NH2-O 3.03Å; R14-D96 WeakPolarHBondContact CB-O 3.33Å; R14-D96 WeakPolarHBondContact CD-O 3.26Å; R14-C97 WeakPolarHBondContact O-CA 3.42Å; R14-D98 PolarHBondContact N-OD2 2.65Å; R14-D98 VanDerWaalsContact N-OD2 3.1Å; R14-D98 PolarHBondContact O-N 3.24Å |
| 15 | V | 96.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.2 | -176.5 | -175.1 | 0 | 0 | 0 | 0 | 109 | A35 F38 K41 L42 I43 F99 V101 | V15-A35 HydrophobicContact CG1-CB 4.27Å; V15-F38 HydrophobicContact CG2-CB 4.05Å; V15-K41 PolarHBondContact N-O 2.82Å; V15-L42 HydrophobicContact CB-CD1 4.01Å; V15-L42 HydrophobicContact CG1-CD1 3.88Å; V15-L42 WeakPolarHBondContact O-CA 3.49Å; V15-I43 PolarHBondContact O-N 2.9Å; V15-F99 HydrophobicContact CB-CE2 4.4Å; V15-F99 HydrophobicContact CG1-CD2 4.47Å; V15-F99 HydrophobicContact CG1-CE2 4Å; V15-F99 HydrophobicContact CG2-CE2 3.83Å; V15-F99 HydrophobicContact CG2-CZ 3.93Å; V15-V101 HydrophobicContact CG1-CB 4.14Å; V15-V101 HydrophobicContact CG1-CG2 3.46Å; V15-V101 VanDerWaalsContact CG1-CG2 3.46Å |
| 16 | W | 97.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.1 | 169.7 | -178.9 | -96.5 | 0 | 0 | 0 | 110.7 | D18 I43 V80 A83 T91 L92 Y95 C97 F99 C100 V101 | W16-D18 HydrophobicContact CZ2-CB 4.05Å; W16-D18 PolarHBondContact NE1-OD2 2.68Å; W16-I43 WeakPolarHBondContact CA-O 3.41Å; W16-I43 HydrophobicContact CE3-CB 4.14Å; W16-I43 HydrophobicContact CE3-CG2 3.85Å; W16-I43 HydrophobicContact CZ3-CG2 3.72Å; W16-V80 HydrophobicContact CH2-CB 3.92Å; W16-V80 HydrophobicContact CH2-CG1 3.98Å; W16-V80 HydrophobicContact CH2-CG2 4.29Å; W16-V80 HydrophobicContact CZ3-CB 4.06Å; W16-V80 HydrophobicContact CZ3-CG1 4.41Å; W16-V80 HydrophobicContact CZ3-CG2 3.92Å; W16-A83 HydrophobicContact CH2-CB 4.29Å; W16-A83 HydrophobicContact CZ2-CB 4.12Å; W16-T91 HydrophobicContact CH2-CG2 3.96Å; W16-T91 HydrophobicContact CZ2-CG2 3.69Å; W16-L92 HydrophobicContact CB-CD2 3.48Å; W16-L92 VanDerWaalsContact CB-CD2 3.48Å; W16-L92 HydrophobicContact CG-CD2 3.69Å; W16-Y95 HydrophobicContact CE3-CD2 4.12Å; W16-Y95 AromaticContact CH2-CD2 3.88Å; W16-Y95 HydrophobicContact CH2-CD2 3.88Å; W16-Y95 AromaticContact CH2-CE2 3.89Å; W16-Y95 HydrophobicContact CH2-CE2 3.89Å; W16-Y95 AromaticContact CZ3-CD2 3.41Å; W16-Y95 HydrophobicContact CZ3-CD2 3.41Å; W16-Y95 VanDerWaalsContact CZ3-CD2 3.41Å; W16-Y95 AromaticContact CZ3-CE2 3.86Å; W16-Y95 HydrophobicContact CZ3-CE2 3.86Å; W16-Y95 AromaticContact CZ3-CG 3.97Å; W16-Y95 HydrophobicContact CZ3-CG 3.97Å; W16-C97 HydrophobicContact CB-CB 3.83Å; W16-F99 PolarHBondContact N-O 3.48Å; W16-C100 HydrophobicContact CB-CB 4.19Å; W16-C100 HydrophobicContact CG-CB 4.4Å; W16-C100 CarbonylContact O-C 3.48Å; W16-C100 WeakPolarHBondContact O-CA 3.37Å; W16-V101 PolarHBondContact O-N 3.31Å |
| 17 | A | 97.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | L32 L42 I43 V44 G45 | A17-L32 HydrophobicContact CB-CD2 3.92Å; A17-L42 HydrophobicContact CB-CD1 4.19Å; A17-I43 PolarHBondContact N-O 3.44Å; A17-V44 CarbonylContact O-C 3.51Å; A17-V44 VanDerWaalsContact O-CA 3.22Å; A17-V44 WeakPolarHBondContact O-CA 3.47Å; A17-G45 PolarHBondContact O-N 2.86Å |
| 18 | D | 96.1 | Very high | 87.7 | Confident | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 169.5 | 169.2 | 61.9 | 48.8 | 0 | 0 | 0 | 111.9 | W16 Y21 G45 H47 T87 Y116 | W16-D18 HydrophobicContact CZ2-CB 4.05Å; W16-D18 PolarHBondContact NE1-OD2 2.68Å; D18-Y21 PolarHBondContact O-OH 2.8Å; D18-G45 WeakPolarHBondContact CA-O 3.45Å; D18-G45 VanDerWaalsContact CB-O 3.26Å; D18-G45 WeakPolarHBondContact CB-O 3.32Å; D18-H47 IonicContact OD1-CE1 3.11Å; D18-T87 PolarHBondContact OD2-OG1 2.92Å; D18-Y116 PolarHBondContact OD1-OH 2.93Å |
| 19 | G | 94.2 | Very high | 88.9 | Confident | 13 Ų | 13 | 19.8 Ų | 19.8 | 13% | 0.134 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 178.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y21 G45 H47 | G19-Y21 VanDerWaalsContact N-CE2 3.34Å; G19-Y21 WeakPolarHBondContact O-CD2 3.35Å; G19-G45 PolarHBondContact N-O 3.1Å; G19-G45 VanDerWaalsContact N-O 3.13Å; G19-H47 VanDerWaalsContact CA-NE2 3.29Å; G19-H47 WeakPolarHBondContact CA-NE2 3.4Å; G19-H47 PolarHBondContact O-CD2 3.38Å; G19-H47 PolarHBondContact O-N 2.85Å |
| 20 | C | 93.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 11% | 0.108 | 11% | 0.109 | C | C | . | . | trans | -72.8 | -37.3 | 175.7 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | D22 H47 I52 K56 R66 | C20-D22 HydrophobicContact CB-CB 4.47Å; C20-D22 PolarHBondContact O-N 3.43Å; C20-H47 PolarHBondContact N-CD2 3.45Å; C20-I52 HydrophobicContact CB-CD1 3.79Å; C20-I52 HydrophobicContact CB-CG1 4.23Å; C20-K56 WeakPolarHBondContact SG-CE 3.35Å; C20-K56 PolarHBondContact SG-NZ 3.19Å; C20-R66 WeakPolarHBondContact O-CD 3.42Å; C20-R66 PolarHBondContact O-NH1 3.19Å | ||
| 21 | Y | 95.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | trans | 47.7 | 41.6 | -172.9 | -58.6 | -73.7 | 0 | 0 | 0 | 113.6 | D18 G19 V24 H28 L32 V44 V46 V70 | D18-Y21 PolarHBondContact O-OH 2.8Å; G19-Y21 VanDerWaalsContact N-CE2 3.34Å; G19-Y21 WeakPolarHBondContact O-CD2 3.35Å; Y21-V24 VanDerWaalsContact O-CG2 3.28Å; Y21-V24 WeakPolarHBondContact O-CG2 3.48Å; Y21-H28 HydrophobicContact CD1-CB 4.2Å; Y21-H28 AromaticContact CD1-CD2 3.94Å; Y21-H28 HydrophobicContact CE1-CB 4.44Å; Y21-L32 HydrophobicContact CE1-CD1 4.12Å; Y21-L32 HydrophobicContact CE1-CD2 4.35Å; Y21-L32 HydrophobicContact CE1-CG 4.36Å; Y21-V44 HydrophobicContact CD2-CG1 4.18Å; Y21-V44 HydrophobicContact CE2-CG1 3.31Å; Y21-V46 HydrophobicContact CD2-CG1 4.37Å; Y21-V46 HydrophobicContact CD2-CG2 3.89Å; Y21-V46 HydrophobicContact CE2-CG2 4.36Å; Y21-V70 VanDerWaalsContact CB-CG2 3.43Å; Y21-V70 HydrophobicContact CD1-CG2 4.13Å; Y21-V70 HydrophobicContact CD2-CG2 3.81Å; Y21-V70 HydrophobicContact CG-CG2 3.51Å | ||
| 22 | D | 93.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 126.6 | 175.8 | -178.2 | 37.8 | 0 | 0 | 0 | 109.5 | C20 P59 V60 F61 T136 R373 | C20-D22 HydrophobicContact CB-CB 4.47Å; C20-D22 PolarHBondContact O-N 3.43Å; D22-P59 HydrophobicContact CB-CB 4.2Å; D22-P59 VanDerWaalsContact OD2-CA 3.29Å; D22-P59 WeakPolarHBondContact OD2-CA 3.39Å; D22-V60 WeakPolarHBondContact OD1-CB 3.02Å; D22-V60 PolarHBondContact OD1-N 3.3Å; D22-V60 PolarHBondContact OD2-N 3.47Å; D22-F61 PolarHBondContact OD1-N 3.26Å; D22-T136 PolarHBondContact O-OG1 3.17Å; D22-R373 IonicContact OD2-NH1 3.74Å |
| 23 | M | 92 | Very high | 94.9 | Very high | 6 Ų | 6 | 10.8 Ų | 10.8 | 3% | 0.03 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.7 | 63.9 | -166.9 | -66.2 | -82.2 | -42.1 | 0 | 0 | 111.9 | H25 V60 F61 T136 M143 L235 I359 I363 | M23-H25 PolarHBondContact O-CD2 3.11Å; M23-H25 VanDerWaalsContact O-CD2 3.26Å; M23-H25 PolarHBondContact O-N 2.68Å; M23-V60 HydrophobicContact CG-CB 4.08Å; M23-V60 HydrophobicContact CG-CG1 4.37Å; M23-V60 HydrophobicContact CG-CG2 4.08Å; M23-V60 HydrophobicContact SD-CB 4.41Å; M23-V60 HydrophobicContact SD-CG1 4.03Å; M23-F61 HydrophobicContact CB-CE2 4.31Å; M23-F61 HydrophobicContact CG-CD2 4.18Å; M23-F61 HydrophobicContact CG-CE2 3.83Å; M23-F61 HydrophobicContact SD-CD2 4.18Å; M23-F61 HydrophobicContact SD-CE2 3.32Å; M23-F61 WeakPolarHBondContact SD-CE2 3.45Å; M23-F61 HydrophobicContact SD-CZ 4.02Å; M23-T136 HydrophobicContact CB-CG2 4Å; M23-T136 HydrophobicContact CG-CG2 4.33Å; M23-M143 HydrophobicContact CE-CE 3.56Å; M23-M143 HydrophobicContact SD-CE 4.32Å; M23-L235 HydrophobicContact CE-CD1 4.29Å; M23-L235 HydrophobicContact CE-CD2 4.05Å; M23-I359 HydrophobicContact CE-CG2 3.98Å; M23-I359 HydrophobicContact SD-CG2 3.49Å; M23-I359 WeakPolarHBondContact SD-CG2 3.38Å; M23-I363 HydrophobicContact SD-CD1 4.15Å |
| 24 | V | 96 | Very high | 95.5 | Very high | 13 Ų | 13 | 10.1 Ų | 10.1 | 8% | 0.079 | 6% | 0.055 | C | C | . | . | trans | -52.1 | 134.6 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | Y21 H28 M69 I73 Y287 | Y21-V24 VanDerWaalsContact O-CG2 3.28Å; Y21-V24 WeakPolarHBondContact O-CG2 3.48Å; V24-H28 HydrophobicContact CG1-CB 4.3Å; V24-M69 HydrophobicContact CB-CE 4.22Å; V24-M69 HydrophobicContact CG2-CB 3.97Å; V24-I73 HydrophobicContact CG1-CD1 3.98Å; V24-Y287 WeakPolarHBondContact CG1-OH 3.35Å | ||
| 25 | H | 94.5 | Very high | 95.6 | Very high | 13 Ų | 13 | 9.5 Ų | 9.5 | 6% | 0.06 | 5% | 0.053 | C | C | . | . | trans | -145.9 | 170.2 | -178.3 | 55.4 | 62.1 | 0 | 0 | 0 | 109.1 | M23 G27 H28 A29 V134 T136 L139 M275 | M23-H25 PolarHBondContact O-CD2 3.11Å; M23-H25 VanDerWaalsContact O-CD2 3.26Å; M23-H25 PolarHBondContact O-N 2.68Å; H25-G27 WeakPolarHBondContact ND1-CA 3.42Å; H25-G27 PolarHBondContact ND1-N 2.99Å; H25-G27 VanDerWaalsContact ND1-N 3.17Å; H25-G27 PolarHBondContact O-N 2.94Å; H25-H28 AromaticContact CD2-CE1 3.6Å; H25-H28 AromaticContact CD2-ND1 3.52Å; H25-H28 AromaticContact CE1-CE1 3.59Å; H25-H28 AromaticContact CE1-ND1 3.4Å; H25-H28 PolarHBondContact CE1-ND1 3.44Å; H25-H28 AromaticContact CG-ND1 3.61Å; H25-H28 PolarHBondContact N-ND1 2.88Å; H25-H28 PolarHBondContact ND1-N 3.05Å; H25-H28 AromaticContact ND1-ND1 3.52Å; H25-H28 AromaticContact NE2-CE1 3.23Å; H25-H28 PolarHBondContact NE2-CE1 3.47Å; H25-H28 AromaticContact NE2-ND1 3.41Å; H25-H28 PolarHBondContact NE2-ND1 2.94Å; H25-H28 WeakPolarHBondContact O-CB 3.41Å; H25-H28 PolarHBondContact O-N 2.7Å; H25-A29 PolarHBondContact O-N 3.19Å; H25-V134 HydrophobicContact CB-CG2 4.08Å; H25-T136 PolarHBondContact NE2-N 3.33Å; H25-L139 HydrophobicContact CB-CD1 3.85Å; H25-M275 HydrophobicContact CB-CE 3.89Å | ||
| 26 | F | 94.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.5 | -28.3 | -176.2 | 70.1 | -88.5 | 0 | 0 | 0 | 113.9 | A29 N30 T131 V134 F204 F214 E279 L282 | F26-A29 PolarHBondContact O-N 3.06Å; F26-N30 WeakPolarHBondContact O-CB 3.4Å; F26-N30 PolarHBondContact O-N 3.06Å; F26-T131 HydrophobicContact CD2-CG2 3.99Å; F26-T131 HydrophobicContact CE2-CG2 3.78Å; F26-V134 HydrophobicContact CD1-CB 4.32Å; F26-V134 HydrophobicContact CD1-CG1 4.05Å; F26-V134 HydrophobicContact CD1-CG2 4.34Å; F26-V134 HydrophobicContact CD2-CG1 4.01Å; F26-V134 HydrophobicContact CE1-CB 3.47Å; F26-V134 VanDerWaalsContact CE1-CB 3.47Å; F26-V134 HydrophobicContact CE1-CG1 3.55Å; F26-V134 HydrophobicContact CE1-CG2 3.76Å; F26-V134 HydrophobicContact CE2-CB 4.17Å; F26-V134 HydrophobicContact CE2-CG1 3.52Å; F26-V134 HydrophobicContact CG-CG1 4.26Å; F26-V134 HydrophobicContact CZ-CB 3.4Å; F26-V134 VanDerWaalsContact CZ-CB 3.4Å; F26-V134 HydrophobicContact CZ-CG1 3.28Å; F26-V134 HydrophobicContact CZ-CG2 4.22Å; F26-F204 AromaticContact CE2-CD2 3.64Å; F26-F204 HydrophobicContact CE2-CD2 3.64Å; F26-F204 AromaticContact CE2-CE2 3.8Å; F26-F204 HydrophobicContact CE2-CE2 3.8Å; F26-F204 HydrophobicContact CE2-CG 4.15Å; F26-F204 HydrophobicContact CE2-CZ 4.4Å; F26-F204 HydrophobicContact CZ-CB 4.19Å; F26-F204 HydrophobicContact CZ-CD1 4.4Å; F26-F204 AromaticContact CZ-CD2 3.79Å; F26-F204 HydrophobicContact CZ-CD2 3.79Å; F26-F204 HydrophobicContact CZ-CE2 4.34Å; F26-F204 AromaticContact CZ-CG 3.85Å; F26-F204 HydrophobicContact CZ-CG 3.85Å; F26-F214 HydrophobicContact CB-CE1 4.26Å; F26-F214 HydrophobicContact CB-CZ 4.38Å; F26-E279 HydrophobicContact CD1-CB 4.16Å; F26-E279 HydrophobicContact CD1-CG 4.46Å; F26-E279 HydrophobicContact CE1-CB 3.72Å; F26-E279 HydrophobicContact CE1-CG 3.56Å; F26-E279 HydrophobicContact CZ-CG 3.95Å; F26-L282 HydrophobicContact CB-CB 3.67Å; F26-L282 HydrophobicContact CD2-CB 4.41Å; F26-L282 HydrophobicContact CD2-CD1 3.87Å; F26-L282 HydrophobicContact CE2-CD1 4.33Å; F26-L282 HydrophobicContact CG-CB 4.09Å; F26-L282 HydrophobicContact CG-CD1 4.34Å |
| 27 | G | 94.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 18.1 Ų | 18.1 | 8% | 0.082 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.4 | -43.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | H25 N30 Q31 T131 | H25-G27 WeakPolarHBondContact ND1-CA 3.42Å; H25-G27 PolarHBondContact ND1-N 2.99Å; H25-G27 VanDerWaalsContact ND1-N 3.17Å; H25-G27 PolarHBondContact O-N 2.94Å; G27-N30 PolarHBondContact O-N 2.97Å; G27-Q31 PolarHBondContact O-N 2.61Å; G27-T131 PolarHBondContact O-OG1 3.25Å |
| 28 | H | 95.9 | Very high | 95.3 | Very high | 33 Ų | 33 | 22.2 Ų | 22.2 | 15% | 0.153 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 172.9 | -64.5 | 114.2 | 0 | 0 | 0 | 110.6 | Y21 V24 H25 N30 Q31 L32 | Y21-H28 HydrophobicContact CD1-CB 4.2Å; Y21-H28 AromaticContact CD1-CD2 3.94Å; Y21-H28 HydrophobicContact CE1-CB 4.44Å; V24-H28 HydrophobicContact CG1-CB 4.3Å; H25-H28 AromaticContact CD2-CE1 3.6Å; H25-H28 AromaticContact CD2-ND1 3.52Å; H25-H28 AromaticContact CE1-CE1 3.59Å; H25-H28 AromaticContact CE1-ND1 3.4Å; H25-H28 PolarHBondContact CE1-ND1 3.44Å; H25-H28 AromaticContact CG-ND1 3.61Å; H25-H28 PolarHBondContact N-ND1 2.88Å; H25-H28 PolarHBondContact ND1-N 3.05Å; H25-H28 AromaticContact ND1-ND1 3.52Å; H25-H28 AromaticContact NE2-CE1 3.23Å; H25-H28 PolarHBondContact NE2-CE1 3.47Å; H25-H28 AromaticContact NE2-ND1 3.41Å; H25-H28 PolarHBondContact NE2-ND1 2.94Å; H25-H28 WeakPolarHBondContact O-CB 3.41Å; H25-H28 PolarHBondContact O-N 2.7Å; H28-N30 VanDerWaalsContact C-N 3.33Å; H28-N30 PolarHBondContact O-N 2.83Å; H28-Q31 WeakPolarHBondContact O-CB 3.45Å; H28-Q31 PolarHBondContact O-N 3.34Å; H28-L32 WeakPolarHBondContact O-CG 3.33Å; H28-L32 PolarHBondContact O-N 2.94Å |
| 29 | A | 97 | Very high | 95.1 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H25 F26 L32 R33 W75 F214 A286 | H25-A29 PolarHBondContact O-N 3.19Å; F26-A29 PolarHBondContact O-N 3.06Å; A29-L32 PolarHBondContact O-N 3.11Å; A29-R33 WeakPolarHBondContact O-CB 3.45Å; A29-R33 PolarHBondContact O-N 3.35Å; A29-W75 HydrophobicContact CB-CZ3 4.06Å; A29-W75 WeakPolarHBondContact O-CZ3 3.41Å; A29-F214 HydrophobicContact CB-CE1 4.01Å; A29-F214 HydrophobicContact CB-CZ 4.3Å; A29-A286 HydrophobicContact CB-CB 3.56Å |
| 30 | N | 96.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69.9 | -33.7 | 176.1 | -171.1 | 45.2 | 0 | 0 | 0 | 112.8 | F26 G27 H28 R33 Q34 T131 F214 | F26-N30 WeakPolarHBondContact O-CB 3.4Å; F26-N30 PolarHBondContact O-N 3.06Å; G27-N30 PolarHBondContact O-N 2.97Å; H28-N30 VanDerWaalsContact C-N 3.33Å; H28-N30 PolarHBondContact O-N 2.83Å; N30-R33 PolarHBondContact O-N 2.73Å; N30-R33 PolarHBondContact OD1-NE 3.27Å; N30-R33 PolarHBondContact OD1-NH2 3.32Å; N30-R33 VanDerWaalsContact OD1-NH2 3.1Å; N30-Q34 PolarHBondContact ND2-NE2 3.28Å; N30-Q34 WeakPolarHBondContact O-CG 3.42Å; N30-Q34 PolarHBondContact O-N 3.1Å; N30-Q34 PolarHBondContact O-NE2 3.11Å; N30-T131 HydrophobicContact CB-CG2 4.46Å; N30-T131 WeakPolarHBondContact CB-OG1 3.49Å; N30-T131 PolarHBondContact ND2-OG1 2.89Å; N30-F214 HydrophobicContact CB-CE2 3.82Å; N30-F214 HydrophobicContact CB-CZ 3.72Å |
| 31 | Q | 96.2 | Very high | 95 | Very high | 24 Ų | 24 | 28.2 Ų | 28.2 | 11% | 0.112 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.5 | -49.1 | 171.1 | -175.6 | -157 | 21.8 | 0 | 0 | 110 | G27 H28 Q34 A35 C128 | G27-Q31 PolarHBondContact O-N 2.61Å; H28-Q31 WeakPolarHBondContact O-CB 3.45Å; H28-Q31 PolarHBondContact O-N 3.34Å; Q31-Q34 PolarHBondContact O-N 3.43Å; Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3Å; Q31-C128 VanDerWaalsContact CG-SG 3.53Å |
| 32 | L | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.6 | -37.2 | 179 | -65.6 | 172.7 | 0 | 0 | 0 | 112.2 | A17 Y21 H28 A29 A35 K36 L42 V44 I73 V76 | A17-L32 HydrophobicContact CB-CD2 3.92Å; Y21-L32 HydrophobicContact CE1-CD1 4.12Å; Y21-L32 HydrophobicContact CE1-CD2 4.35Å; Y21-L32 HydrophobicContact CE1-CG 4.36Å; H28-L32 WeakPolarHBondContact O-CG 3.33Å; H28-L32 PolarHBondContact O-N 2.94Å; A29-L32 PolarHBondContact O-N 3.11Å; L32-A35 PolarHBondContact O-N 2.82Å; L32-K36 WeakPolarHBondContact O-CB 3.37Å; L32-K36 PolarHBondContact O-N 3.01Å; L32-L42 HydrophobicContact CB-CD2 4.02Å; L32-L42 HydrophobicContact CD2-CD2 4.06Å; L32-L42 VanDerWaalsContact O-CD2 3.27Å; L32-L42 WeakPolarHBondContact O-CD2 3.36Å; L32-V44 HydrophobicContact CD2-CG1 4.2Å; L32-V44 HydrophobicContact CD2-CG2 3.59Å; L32-I73 HydrophobicContact CD1-CD1 3.56Å; L32-I73 HydrophobicContact CD1-CG2 4.38Å; L32-V76 HydrophobicContact CB-CG2 4.49Å; L32-V76 HydrophobicContact CD1-CG2 3.77Å |
| 33 | R | 97.3 | Very high | 95.3 | Very high | 16 Ų | 16 | 27.9 Ų | 27.9 | 6% | 0.06 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.2 | -51.1 | 170.1 | -177 | -168.7 | 71.5 | 79.5 | -9.2 | 111.3 | A29 N30 K36 Q37 W75 E213 | A29-R33 WeakPolarHBondContact O-CB 3.45Å; A29-R33 PolarHBondContact O-N 3.35Å; N30-R33 PolarHBondContact O-N 2.73Å; N30-R33 PolarHBondContact OD1-NE 3.27Å; N30-R33 PolarHBondContact OD1-NH2 3.32Å; N30-R33 VanDerWaalsContact OD1-NH2 3.1Å; R33-K36 PolarHBondContact O-N 2.81Å; R33-Q37 VanDerWaalsContact NH1-NE2 3.17Å; R33-Q37 WeakPolarHBondContact O-CG 3.38Å; R33-Q37 PolarHBondContact O-N 3.37Å; R33-W75 HydrophobicContact CB-CD2 3.57Å; R33-W75 HydrophobicContact CB-CE3 3.7Å; R33-W75 HydrophobicContact CB-CG 4.12Å; R33-W75 HydrophobicContact CB-CH2 3.99Å; R33-W75 HydrophobicContact CB-CZ2 3.88Å; R33-W75 HydrophobicContact CB-CZ3 3.91Å; R33-W75 HydrophobicContact CG-CD2 3.9Å; R33-W75 VanDerWaalsContact CG-CE2 3.44Å; R33-W75 HydrophobicContact CG-CE3 4.42Å; R33-W75 HydrophobicContact CG-CG 4.35Å; R33-W75 HydrophobicContact CG-CH2 4.15Å; R33-W75 HydrophobicContact CG-CZ2 3.59Å; R33-E213 WeakPolarHBondContact CD-O 3.45Å; R33-E213 VanDerWaalsContact CZ-CD 3.49Å; R33-E213 IonicContact CZ-OE1 3.74Å; R33-E213 IonicContact CZ-OE2 2.93Å; R33-E213 IonicContact NH1-OE1 3.05Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.24Å; R33-E213 IonicContact NH2-OE2 3.63Å; R33-E213 PolarHBondContact NH2-OE2 3.18Å; R33-E213 VanDerWaalsContact NH2-OE2 3.09Å |
| 34 | Q | 96.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 27.6 Ų | 27.6 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 178.6 | -73.9 | 176.4 | 86.4 | 0 | 0 | 111.1 | N30 Q31 K36 Q37 F38 C128 K129 | N30-Q34 PolarHBondContact ND2-NE2 3.28Å; N30-Q34 WeakPolarHBondContact O-CG 3.42Å; N30-Q34 PolarHBondContact O-N 3.1Å; N30-Q34 PolarHBondContact O-NE2 3.11Å; Q31-Q34 PolarHBondContact O-N 3.43Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.48Å; Q34-Q37 WeakPolarHBondContact O-CB 3.3Å; Q34-Q37 PolarHBondContact O-N 3.05Å; Q34-F38 VanDerWaalsContact O-CD2 3.29Å; Q34-F38 WeakPolarHBondContact O-CD2 3.32Å; Q34-C128 HydrophobicContact CB-CB 3.66Å; Q34-C128 HydrophobicContact CG-CB 4.38Å; Q34-K129 PolarHBondContact NE2-O 2.86Å |
| 35 | A | 96.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 Q31 L32 Q37 F38 L42 V101 | V15-A35 HydrophobicContact CG1-CB 4.27Å; Q31-A35 WeakPolarHBondContact O-CB 3.38Å; Q31-A35 PolarHBondContact O-N 3Å; L32-A35 PolarHBondContact O-N 2.82Å; A35-Q37 PolarHBondContact O-N 3.1Å; A35-Q37 VanDerWaalsContact O-N 3.17Å; A35-F38 PolarHBondContact O-N 3.35Å; A35-F38 VanDerWaalsContact O-N 3.07Å; A35-L42 HydrophobicContact CB-CD1 3.78Å; A35-L42 HydrophobicContact CB-CD2 4.33Å; A35-V101 HydrophobicContact CB-CB 3.77Å; A35-V101 HydrophobicContact CB-CG1 3.84Å; A35-V101 HydrophobicContact CB-CG2 4.23Å |
| 36 | K | 95.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 26.3 Ų | 26.3 | 20% | 0.204 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.2 | -21.1 | 175.2 | -176 | 62.6 | 169.2 | -164.6 | 0 | 113.4 | L32 R33 Q34 F38 Q40 L42 W75 D77 | L32-K36 WeakPolarHBondContact O-CB 3.37Å; L32-K36 PolarHBondContact O-N 3.01Å; R33-K36 PolarHBondContact O-N 2.81Å; Q34-K36 VanDerWaalsContact C-N 3.33Å; Q34-K36 PolarHBondContact O-N 3.48Å; K36-F38 PolarHBondContact O-N 2.95Å; K36-Q40 PolarHBondContact NZ-O 3.3Å; K36-L42 HydrophobicContact CB-CB 4.42Å; K36-L42 HydrophobicContact CB-CD2 4.12Å; K36-L42 HydrophobicContact CD-CB 3.89Å; K36-W75 HydrophobicContact CB-CB 3.98Å; K36-W75 HydrophobicContact CG-CB 4.17Å; K36-D77 IonicContact NZ-OD1 3.84Å; K36-D77 PolarHBondContact NZ-OD1 3.3Å; K36-D77 IonicContact NZ-OD2 3.93Å; K36-D77 PolarHBondContact NZ-OD2 3.21Å |
| 37 | Q | 94.1 | Very high | 95.9 | Very high | 135 Ų | 135 | 26.5 Ų | 26.5 | 63% | 0.631 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -17 | 176.3 | -63.5 | 179 | -51.1 | 0 | 0 | 113 | R33 Q34 A35 | R33-Q37 VanDerWaalsContact NH1-NE2 3.17Å; R33-Q37 WeakPolarHBondContact O-CG 3.38Å; R33-Q37 PolarHBondContact O-N 3.37Å; Q34-Q37 WeakPolarHBondContact O-CB 3.3Å; Q34-Q37 PolarHBondContact O-N 3.05Å; A35-Q37 PolarHBondContact O-N 3.1Å; A35-Q37 VanDerWaalsContact O-N 3.17Å |
| 38 | F | 93.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 27.4 Ų | 27.4 | 38% | 0.377 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -11.5 | -179.8 | -68.9 | -86.8 | 0 | 0 | 0 | 114 | V15 Q34 A35 K36 F99 V101 R126 | V15-F38 HydrophobicContact CG2-CB 4.05Å; Q34-F38 VanDerWaalsContact O-CD2 3.29Å; Q34-F38 WeakPolarHBondContact O-CD2 3.32Å; A35-F38 PolarHBondContact O-N 3.35Å; A35-F38 VanDerWaalsContact O-N 3.07Å; K36-F38 PolarHBondContact O-N 2.95Å; F38-F99 HydrophobicContact CB-CE2 3.5Å; F38-F99 HydrophobicContact CB-CZ 3.61Å; F38-F99 HydrophobicContact CD1-CE2 4.5Å; F38-F99 HydrophobicContact CG-CE2 4.15Å; F38-V101 HydrophobicContact CB-CG2 4.35Å; F38-V101 HydrophobicContact CD2-CG1 4.29Å; F38-V101 HydrophobicContact CD2-CG2 3.67Å; F38-V101 HydrophobicContact CE2-CG1 4.09Å; F38-V101 HydrophobicContact CE2-CG2 4.15Å; F38-V101 HydrophobicContact CG-CG2 4.1Å; F38-R126 HydrophobicContact CD1-CG 4.44Å; F38-R126 HydrophobicContact CE1-CB 4.34Å; F38-R126 HydrophobicContact CE1-CG 4.43Å; F38-R126 HydrophobicContact CZ-CB 4.44Å |
| 39 | G | 91.7 | Very high | 96 | Very high | 13 Ų | 13 | 27 Ų | 27 | 13% | 0.134 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -165.1 | 173.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N13 | N13-G39 CarbonylContact O-C 3.57Š|
| 40 | Q | 91.3 | Very high | 95.9 | Very high | 114 Ų | 114 | 32.9 Ų | 32.9 | 53% | 0.533 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -83.2 | -22.8 | -175.8 | -61.3 | -175.9 | 14.1 | 0 | 0 | 113.4 | N13 K36 | N13-Q40 HydrophobicContact CB-CB 4.08Å; N13-Q40 HydrophobicContact CB-CG 4.12Å; N13-Q40 PolarHBondContact O-N 3.38Å; K36-Q40 PolarHBondContact NZ-O 3.3Å |
| 41 | K | 95.2 | Very high | 95.7 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 14% | 0.139 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128 | 178.1 | -167.1 | 175.2 | 177.1 | 177.5 | 0 | 110.5 | D7 L9 N13 R14 V15 D77 E78 | D7-K41 WeakPolarHBondContact OD2-CD 3.45Å; D7-K41 IonicContact OD2-NZ 3.46Å; D7-K41 PolarHBondContact OD2-NZ 2.65Å; L9-K41 HydrophobicContact CD1-CB 4.04Å; L9-K41 HydrophobicContact CD1-CD 4.19Å; N13-K41 PolarHBondContact O-N 3.04Å; R14-K41 WeakPolarHBondContact CA-O 3.35Å; R14-K41 HydrophobicContact CG-CB 4.45Å; V15-K41 PolarHBondContact N-O 2.82Å; K41-D77 VanDerWaalsContact CA-OD2 3.29Å; K41-D77 WeakPolarHBondContact CA-OD2 3.45Å; K41-D77 HydrophobicContact CG-CB 3.8Å; K41-E78 VanDerWaalsContact CE-OE2 3.26Å; K41-E78 WeakPolarHBondContact CE-OE2 3.04Å; K41-E78 IonicContact NZ-OE2 3.09Å; K41-E78 PolarHBondContact NZ-OE2 2.85Å |
| 42 | L | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.6 | 176 | 177.9 | 64.2 | 0 | 0 | 0 | 109.2 | V15 A17 L32 A35 K36 V44 V76 D77 E78 | V15-L42 HydrophobicContact CB-CD1 4.01Å; V15-L42 HydrophobicContact CG1-CD1 3.88Å; V15-L42 WeakPolarHBondContact O-CA 3.49Å; A17-L42 HydrophobicContact CB-CD1 4.19Å; L32-L42 HydrophobicContact CB-CD2 4.02Å; L32-L42 HydrophobicContact CD2-CD2 4.06Å; L32-L42 VanDerWaalsContact O-CD2 3.27Å; L32-L42 WeakPolarHBondContact O-CD2 3.36Å; A35-L42 HydrophobicContact CB-CD1 3.78Å; A35-L42 HydrophobicContact CB-CD2 4.33Å; K36-L42 HydrophobicContact CB-CB 4.42Å; K36-L42 HydrophobicContact CB-CD2 4.12Å; K36-L42 HydrophobicContact CD-CB 3.89Å; L42-V44 HydrophobicContact CD1-CG2 4.44Å; L42-V44 HydrophobicContact CD2-CG2 4.26Å; L42-V44 HydrophobicContact CG-CG2 3.96Å; L42-V76 HydrophobicContact CD2-CG2 4.37Å; L42-D77 PolarHBondContact N-OD2 2.92Å; L42-D77 PolarHBondContact O-N 3.16Å; L42-D77 VanDerWaalsContact O-N 3.1Å; L42-E78 PolarHBondContact O-N 2.89Å |
| 43 | I | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.1 | 174.7 | -51.2 | 179.4 | 0 | 0 | 0 | 107.6 | V15 W16 A17 E78 V80 C97 | V15-I43 PolarHBondContact O-N 2.9Å; W16-I43 WeakPolarHBondContact CA-O 3.41Å; W16-I43 HydrophobicContact CE3-CB 4.14Å; W16-I43 HydrophobicContact CE3-CG2 3.85Å; W16-I43 HydrophobicContact CZ3-CG2 3.72Å; A17-I43 PolarHBondContact N-O 3.44Å; I43-E78 WeakPolarHBondContact CA-O 3.4Å; I43-E78 HydrophobicContact CG1-CB 4.33Å; I43-E78 HydrophobicContact CG2-CB 4.32Å; I43-E78 HydrophobicContact CG2-CG 4.45Å; I43-V80 HydrophobicContact CG2-CG2 3.57Å; I43-C97 VanDerWaalsContact CD1-SG 3.56Å |
| 44 | V | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 112.4 | -177.1 | -172.9 | 0 | 0 | 0 | 0 | 111 | A17 Y21 L32 L42 V46 V70 V76 E78 V79 V80 | A17-V44 CarbonylContact O-C 3.51Å; A17-V44 VanDerWaalsContact O-CA 3.22Å; A17-V44 WeakPolarHBondContact O-CA 3.47Å; Y21-V44 HydrophobicContact CD2-CG1 4.18Å; Y21-V44 HydrophobicContact CE2-CG1 3.31Å; L32-V44 HydrophobicContact CD2-CG1 4.2Å; L32-V44 HydrophobicContact CD2-CG2 3.59Å; L42-V44 HydrophobicContact CD1-CG2 4.44Å; L42-V44 HydrophobicContact CD2-CG2 4.26Å; L42-V44 HydrophobicContact CG-CG2 3.96Å; V44-V46 HydrophobicContact CG1-CG2 4.28Å; V44-V70 HydrophobicContact CB-CG1 3.82Å; V44-V70 HydrophobicContact CG1-CG1 3.59Å; V44-V70 HydrophobicContact CG2-CG1 4.32Å; V44-V76 HydrophobicContact CB-CG1 4.24Å; V44-V76 HydrophobicContact CG2-CB 4.35Å; V44-V76 HydrophobicContact CG2-CG1 3.79Å; V44-V76 HydrophobicContact CG2-CG2 3.73Å; V44-E78 PolarHBondContact N-O 3.06Å; V44-V79 CarbonylContact O-C 3.37Å; V44-V79 WeakPolarHBondContact O-CA 3.49Å; V44-V80 PolarHBondContact O-N 2.66Å |
| 45 | G | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A17 D18 G19 V80 A83 | A17-G45 PolarHBondContact O-N 2.86Å; D18-G45 WeakPolarHBondContact CA-O 3.45Å; D18-G45 VanDerWaalsContact CB-O 3.26Å; D18-G45 WeakPolarHBondContact CB-O 3.32Å; G19-G45 PolarHBondContact N-O 3.1Å; G19-G45 VanDerWaalsContact N-O 3.13Å; G45-V80 WeakPolarHBondContact CA-O 3.32Å; G45-A83 VanDerWaalsContact CA-CB 3.45Å |
| 46 | V | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 122.2 | 177.8 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | Y21 V44 R66 Y67 V70 V79 V80 N82 A83 | Y21-V46 HydrophobicContact CD2-CG1 4.37Å; Y21-V46 HydrophobicContact CD2-CG2 3.89Å; Y21-V46 HydrophobicContact CE2-CG2 4.36Å; V44-V46 HydrophobicContact CG1-CG2 4.28Å; V46-R66 HydrophobicContact CG1-CB 4.2Å; V46-Y67 HydrophobicContact CB-CD1 3.52Å; V46-Y67 HydrophobicContact CB-CE1 3.55Å; V46-Y67 HydrophobicContact CG1-CD1 3.52Å; V46-Y67 HydrophobicContact CG1-CE1 3.55Å; V46-Y67 HydrophobicContact CG2-CD1 4.24Å; V46-Y67 WeakPolarHBondContact O-CE1 3.5Å; V46-V70 HydrophobicContact CG2-CB 4.19Å; V46-V70 HydrophobicContact CG2-CG1 4.16Å; V46-V70 HydrophobicContact CG2-CG2 3.97Å; V46-V79 HydrophobicContact CG2-CG1 3.91Å; V46-V80 PolarHBondContact N-O 2.93Å; V46-N82 PolarHBondContact O-N 2.88Å; V46-N82 VanDerWaalsContact O-N 3.15Å; V46-A83 PolarHBondContact O-N 3.22Å; V46-A83 VanDerWaalsContact O-N 3.09Å |
| 47 | H | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | trans | -67.8 | 150.8 | -177.8 | -39.9 | -52.3 | 0 | 0 | 0 | 111.4 | D18 G19 C20 E51 I52 R66 A83 P84 Y85 | D18-H47 IonicContact OD1-CE1 3.11Å; G19-H47 VanDerWaalsContact CA-NE2 3.29Å; G19-H47 WeakPolarHBondContact CA-NE2 3.4Å; G19-H47 PolarHBondContact O-CD2 3.38Å; G19-H47 PolarHBondContact O-N 2.85Å; C20-H47 PolarHBondContact N-CD2 3.45Å; H47-E51 HydrophobicContact CB-CB 4.44Å; H47-E51 HydrophobicContact CB-CG 4.47Å; H47-I52 HydrophobicContact CB-CD1 4.3Å; H47-I52 HydrophobicContact CB-CG1 3.96Å; H47-R66 VanDerWaalsContact O-CZ 3.25Å; H47-R66 PolarHBondContact O-NH1 3.35Å; H47-R66 PolarHBondContact O-NH2 3.05Å; H47-A83 WeakPolarHBondContact CA-O 3.46Å; H47-A83 PolarHBondContact ND1-O 3.38Å; H47-P84 PolarHBondContact CE1-O 3.31Å; H47-P84 PolarHBondContact ND1-O 3.32Å; H47-Y85 AromaticContact CD2-CD2 3.88Å | ||
| 48 | N | 96.5 | Very high | 92 | Very high | 27 Ų | 27 | 44.2 Ų | 44.2 | 14% | 0.144 | 22% | 0.215 | C | C | . | . | trans | -73.7 | 169.9 | 173.8 | 81.3 | 26.8 | 0 | 0 | 0 | 111.1 | E50 E51 I52 E63 N82 | N48-E50 PolarHBondContact O-N 2.83Å; N48-E50 WeakPolarHBondContact OD1-CA 3.46Å; N48-E50 WeakPolarHBondContact OD1-CB 3.49Å; N48-E50 PolarHBondContact OD1-N 3.33Å; N48-E51 VanDerWaalsContact OD1-CB 3.28Å; N48-E51 WeakPolarHBondContact OD1-CB 3.46Å; N48-E51 PolarHBondContact OD1-N 3.47Å; N48-I52 WeakPolarHBondContact O-CG1 3.36Å; N48-I52 PolarHBondContact O-N 3.01Å; N48-E63 VanDerWaalsContact CA-OE2 3.23Å; N48-E63 WeakPolarHBondContact CA-OE2 3.47Å; N48-E63 WeakPolarHBondContact CB-OE2 3.37Å; N48-N82 WeakPolarHBondContact CB-OD1 3.13Å; N48-N82 PolarHBondContact ND2-OD1 2.81Å | ||
| 49 | D | 95.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 13% | 0.134 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.6 | -30.3 | -177.6 | -68.8 | -23.6 | 0 | 0 | 0 | 113.8 | R53 P59 N62 E63 R66 | D49-R53 WeakPolarHBondContact O-CG 3.3Å; D49-R53 PolarHBondContact O-N 2.81Å; D49-R53 PolarHBondContact O-NE 3.25Å; D49-P59 HydrophobicContact CB-CG 4.37Å; D49-P59 WeakPolarHBondContact OD1-CG 3.5Å; D49-N62 WeakPolarHBondContact OD2-CA 3.46Å; D49-E63 PolarHBondContact N-OE2 3.42Å; D49-E63 PolarHBondContact OD1-N 3.2Å; D49-E63 PolarHBondContact OD2-N 3.08Å; D49-E63 VanDerWaalsContact OD2-N 3.1Å; D49-R66 IonicContact OD1-CZ 2.78Å; D49-R66 IonicContact OD1-NE 3.14Å; D49-R66 PolarHBondContact OD1-NE 3.37Å; D49-R66 IonicContact OD1-NH2 2.74Å; D49-R66 PolarHBondContact OD1-NH2 3.14Å |
| 50 | E | 94.4 | Very high | 91.9 | Very high | 126 Ų | 126 | 40.7 Ų | 40.7 | 59% | 0.589 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -67.4 | -49.4 | 179.1 | -175.6 | 173.7 | -174.3 | 0 | 0 | 111.6 | N48 I52 R53 L54 | N48-E50 PolarHBondContact O-N 2.83Å; N48-E50 WeakPolarHBondContact OD1-CA 3.46Å; N48-E50 WeakPolarHBondContact OD1-CB 3.49Å; N48-E50 PolarHBondContact OD1-N 3.33Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 3.24Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.45Å; E50-R53 VanDerWaalsContact O-N 3.11Å; E50-L54 WeakPolarHBondContact O-CG 3.46Å; E50-L54 PolarHBondContact O-N 3.11Å |
| 51 | E | 91.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 178.2 | -168.5 | 65.7 | -163.4 | 0 | 0 | 111.3 | H47 N48 L54 H55 Y85 | H47-E51 HydrophobicContact CB-CB 4.44Å; H47-E51 HydrophobicContact CB-CG 4.47Å; N48-E51 VanDerWaalsContact OD1-CB 3.28Å; N48-E51 WeakPolarHBondContact OD1-CB 3.46Å; N48-E51 PolarHBondContact OD1-N 3.47Å; E51-L54 PolarHBondContact O-N 2.87Å; E51-H55 PolarHBondContact O-ND1 3.01Å; E51-H55 IonicContact OE1-CE1 2.72Å; E51-H55 PolarHBondContact OE1-CE1 3.22Å; E51-H55 VanDerWaalsContact OE1-CE1 3.3Å; E51-H55 IonicContact OE1-ND1 3.82Å; E51-Y85 HydrophobicContact CG-CD2 4.36Å; E51-Y85 VanDerWaalsContact OE1-CB 3.29Å; E51-Y85 WeakPolarHBondContact OE1-CB 3.4Å |
| 52 | I | 91.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.7 | -43.9 | 175.9 | -72.7 | 172 | 0 | 0 | 0 | 111.5 | C20 H47 N48 E50 L54 H55 K56 G57 P59 R66 | C20-I52 HydrophobicContact CB-CD1 3.79Å; C20-I52 HydrophobicContact CB-CG1 4.23Å; H47-I52 HydrophobicContact CB-CD1 4.3Å; H47-I52 HydrophobicContact CB-CG1 3.96Å; N48-I52 WeakPolarHBondContact O-CG1 3.36Å; N48-I52 PolarHBondContact O-N 3.01Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 3.24Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.43Å; I52-H55 PolarHBondContact O-N 2.89Å; I52-K56 HydrophobicContact CG2-CD 4.3Å; I52-K56 HydrophobicContact CG2-CG 3.98Å; I52-K56 PolarHBondContact O-N 2.62Å; I52-G57 WeakPolarHBondContact CG2-O 3.45Å; I52-P59 HydrophobicContact CD1-CB 4.45Å; I52-P59 HydrophobicContact CG2-CB 4.23Å; I52-P59 HydrophobicContact CG2-CG 4.24Å; I52-R66 VanDerWaalsContact CD1-CZ 3.45Å |
| 53 | R | 89.7 | Confident | 92 | Very high | 130 Ų | 130 | 40.2 Ų | 40.2 | 49% | 0.491 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.2 | -36.7 | -179.5 | -80.5 | -175.9 | -66.2 | -96.1 | 1.2 | 112 | D49 E50 H55 P58 | D49-R53 WeakPolarHBondContact O-CG 3.3Å; D49-R53 PolarHBondContact O-N 2.81Å; D49-R53 PolarHBondContact O-NE 3.25Å; E50-R53 WeakPolarHBondContact O-CB 3.12Å; E50-R53 PolarHBondContact O-N 3.45Å; E50-R53 VanDerWaalsContact O-N 3.11Å; R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 PolarHBondContact O-N 2.97Å; R53-P58 HydrophobicContact CG-CB 4.3Å |
| 54 | L | 87.5 | Confident | 92 | Very high | 126 Ų | 126 | 45.3 Ų | 45.3 | 66% | 0.66 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.4 | -35.7 | 177.6 | -66.2 | 173.5 | 0 | 0 | 0 | 112.5 | E50 E51 I52 | E50-L54 WeakPolarHBondContact O-CG 3.46Å; E50-L54 PolarHBondContact O-N 3.11Å; E51-L54 PolarHBondContact O-N 2.87Å; I52-L54 VanDerWaalsContact C-N 3.26Å; I52-L54 PolarHBondContact O-N 3.43Å |
| 55 | H | 82.1 | Confident | 91.9 | Very high | 72 Ų | 72 | 46.4 Ų | 46.4 | 33% | 0.333 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -100.2 | -38.6 | -168.8 | -68.4 | 89.8 | 0 | 0 | 0 | 115.2 | E51 I52 R53 Y85 | E51-H55 PolarHBondContact O-ND1 3.01Å; E51-H55 IonicContact OE1-CE1 2.72Å; E51-H55 PolarHBondContact OE1-CE1 3.22Å; E51-H55 VanDerWaalsContact OE1-CE1 3.3Å; E51-H55 IonicContact OE1-ND1 3.82Å; I52-H55 PolarHBondContact O-N 2.89Å; R53-H55 VanDerWaalsContact C-N 3.29Å; R53-H55 PolarHBondContact O-N 2.97Å; H55-Y85 HydrophobicContact CB-CD1 4.32Å; H55-Y85 HydrophobicContact CB-CD2 4.11Å; H55-Y85 HydrophobicContact CB-CE1 3.87Å; H55-Y85 HydrophobicContact CB-CE2 3.61Å; H55-Y85 HydrophobicContact CB-CG 4.44Å; H55-Y85 VanDerWaalsContact CB-CZ 3.48Å; H55-Y85 AromaticContact CD2-CD1 3.55Å; H55-Y85 AromaticContact CD2-CE1 3.68Å; H55-Y85 AromaticContact CD2-CG 3.99Å; H55-Y85 AromaticContact CE1-CD1 3.99Å; H55-Y85 AromaticContact CE1-CG 3.73Å; H55-Y85 AromaticContact CG-CD1 3.7Å; H55-Y85 AromaticContact CG-CD2 3.84Å; H55-Y85 AromaticContact CG-CE1 3.72Å; H55-Y85 AromaticContact CG-CE2 3.85Å; H55-Y85 AromaticContact CG-CG 3.76Å; H55-Y85 AromaticContact CG-CZ 3.79Å; H55-Y85 AromaticContact ND1-CD1 3.98Å; H55-Y85 AromaticContact ND1-CD2 3.68Å; H55-Y85 AromaticContact ND1-CG 3.6Å; H55-Y85 AromaticContact NE2-CD1 3.76Å; H55-Y85 AromaticContact NE2-CG 3.99Å |
| 56 | K | 80.1 | Confident | 91.9 | Very high | 67 Ų | 67 | 46.5 Ų | 46.5 | 29% | 0.291 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -133.8 | -11.7 | -172.5 | 66.6 | 176.3 | -170.8 | 171.9 | 0 | 115.3 | C20 I52 R373 | C20-K56 WeakPolarHBondContact SG-CE 3.35Å; C20-K56 PolarHBondContact SG-NZ 3.19Å; I52-K56 HydrophobicContact CG2-CD 4.3Å; I52-K56 HydrophobicContact CG2-CG 3.98Å; I52-K56 PolarHBondContact O-N 2.62Å; K56-R373 VanDerWaalsContact O-CD 3.24Å; K56-R373 WeakPolarHBondContact O-CD 3.48Å; K56-R373 WeakPolarHBondContact O-CG 3.45Å |
| 57 | G | 79.7 | Confident | 91.9 | Very high | 19 Ų | 19 | 46.9 Ų | 46.9 | 20% | 0.196 | 23% | 0.229 | C | C | . | . | trans | 103.2 | 175.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I52 | I52-G57 WeakPolarHBondContact CG2-O 3.45Š| ||
| 58 | P | 86.3 | Confident | 92 | Very high | 33 Ų | 33 | 51.3 Ų | 51.3 | 21% | 0.214 | 25% | 0.245 | C | C | . | . | trans | -64 | 145.1 | -168.2 | 24.8 | -32.1 | 0 | 0 | 0 | 112.1 | R53 E369 Y370 R373 | R53-P58 HydrophobicContact CG-CB 4.3Å; P58-E369 VanDerWaalsContact CG-OE2 3.32Å; P58-E369 WeakPolarHBondContact CG-OE2 3.4Å; P58-Y370 WeakPolarHBondContact O-CE1 3.44Å; P58-R373 PolarHBondContact O-NH1 3.01Å | ||
| 59 | P | 91.2 | Very high | 92.1 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | trans | -72.7 | 162.2 | 167.5 | 32.2 | -31.6 | 0 | 0 | 0 | 111 | D22 D49 I52 F61 Y370 | D22-P59 HydrophobicContact CB-CB 4.2Å; D22-P59 VanDerWaalsContact OD2-CA 3.29Å; D22-P59 WeakPolarHBondContact OD2-CA 3.39Å; D49-P59 HydrophobicContact CB-CG 4.37Å; D49-P59 WeakPolarHBondContact OD1-CG 3.5Å; I52-P59 HydrophobicContact CD1-CB 4.45Å; I52-P59 HydrophobicContact CG2-CB 4.23Å; I52-P59 HydrophobicContact CG2-CG 4.24Å; P59-F61 WeakPolarHBondContact CB-O 3.32Å; P59-F61 WeakPolarHBondContact CG-O 3.46Å; P59-Y370 PolarHBondContact O-OH 2.82Å | ||
| 60 | V | 91.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -80.4 | -39.1 | 172.4 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | D22 M23 R362 I363 Y370 | D22-V60 WeakPolarHBondContact OD1-CB 3.02Å; D22-V60 PolarHBondContact OD1-N 3.3Å; D22-V60 PolarHBondContact OD2-N 3.47Å; M23-V60 HydrophobicContact CG-CB 4.08Å; M23-V60 HydrophobicContact CG-CG1 4.37Å; M23-V60 HydrophobicContact CG-CG2 4.08Å; M23-V60 HydrophobicContact SD-CB 4.41Å; M23-V60 HydrophobicContact SD-CG1 4.03Å; V60-R362 HydrophobicContact CG1-CB 4.28Å; V60-R362 PolarHBondContact O-NH1 3.41Å; V60-I363 HydrophobicContact CG1-CD1 4.2Å; V60-I363 HydrophobicContact CG1-CG1 3.87Å; V60-I363 HydrophobicContact CG2-CD1 4.31Å; V60-I363 HydrophobicContact CG2-CG1 3.91Å; V60-Y370 WeakPolarHBondContact CA-OH 3.35Å; V60-Y370 HydrophobicContact CG2-CE1 3.88Å; V60-Y370 HydrophobicContact CG2-CE2 4.14Å; V60-Y370 WeakPolarHBondContact CG2-OH 3.24Å |
| 61 | F | 94.2 | Very high | 92.4 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 7% | 0.066 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -102.4 | 142.9 | 175.5 | -66.5 | -82.2 | 0 | 0 | 0 | 111 | D22 M23 P59 E65 R66 M354 I359 | D22-F61 PolarHBondContact OD1-N 3.26Å; M23-F61 HydrophobicContact CB-CE2 4.31Å; M23-F61 HydrophobicContact CG-CD2 4.18Å; M23-F61 HydrophobicContact CG-CE2 3.83Å; M23-F61 HydrophobicContact SD-CD2 4.18Å; M23-F61 HydrophobicContact SD-CE2 3.32Å; M23-F61 WeakPolarHBondContact SD-CE2 3.45Å; M23-F61 HydrophobicContact SD-CZ 4.02Å; P59-F61 WeakPolarHBondContact CB-O 3.32Å; P59-F61 WeakPolarHBondContact CG-O 3.46Å; F61-E65 VanDerWaalsContact CA-OE2 3.28Å; F61-E65 WeakPolarHBondContact CA-OE2 3.26Å; F61-E65 HydrophobicContact CB-CB 3.97Å; F61-E65 WeakPolarHBondContact CB-OE2 3.44Å; F61-E65 HydrophobicContact CD1-CB 4.1Å; F61-E65 HydrophobicContact CD1-CG 4.45Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.29Å; F61-E65 HydrophobicContact CG-CB 4.45Å; F61-R66 HydrophobicContact CB-CG 3.79Å; F61-R66 WeakPolarHBondContact O-CD 3.42Å; F61-R66 PolarHBondContact O-NE 3.31Å; F61-M354 HydrophobicContact CD1-CE 4.13Å; F61-M354 HydrophobicContact CE1-CE 3.79Å; F61-M354 HydrophobicContact CE1-SD 4.03Å; F61-I359 HydrophobicContact CE1-CD1 4.26Å; F61-I359 HydrophobicContact CE1-CG1 4.07Å; F61-I359 HydrophobicContact CZ-CD1 3.73Å; F61-I359 HydrophobicContact CZ-CG1 3.76Å; F61-I359 HydrophobicContact CZ-CG2 4.34Å |
| 62 | N | 95 | Very high | 92.7 | Very high | 66 Ų | 66 | 42.4 Ų | 42.4 | 35% | 0.353 | 21% | 0.208 | S | C | . | . | trans | -68.5 | 165.4 | 172.1 | 69.8 | 51.6 | 0 | 0 | 0 | 110.8 | D49 Q64 E65 R66 | D49-N62 WeakPolarHBondContact OD2-CA 3.46Å; N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 2.75Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.28Å; N62-Q64 PolarHBondContact OD1-N 2.8Å; N62-Q64 VanDerWaalsContact OD1-N 3.07Å; N62-E65 PolarHBondContact N-OE2 3.21Å; N62-E65 VanDerWaalsContact ND2-CD 3.3Å; N62-E65 PolarHBondContact ND2-OE2 2.9Å; N62-E65 WeakPolarHBondContact O-CB 3.31Å; N62-E65 PolarHBondContact O-N 3.28Å; N62-E65 WeakPolarHBondContact OD1-CG 3.27Å; N62-E65 PolarHBondContact OD1-N 3.33Å; N62-R66 WeakPolarHBondContact O-CG 3.48Å; N62-R66 PolarHBondContact O-N 2.67Å | ||
| 63 | E | 96.9 | Very high | 93 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 26% | 0.262 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.6 | -36.7 | -175.9 | 67.4 | -166.7 | -160.3 | 0 | 0 | 114.4 | N48 D49 E65 R66 Y67 | N48-E63 VanDerWaalsContact CA-OE2 3.23Å; N48-E63 WeakPolarHBondContact CA-OE2 3.47Å; N48-E63 WeakPolarHBondContact CB-OE2 3.37Å; D49-E63 PolarHBondContact N-OE2 3.42Å; D49-E63 PolarHBondContact OD1-N 3.2Å; D49-E63 PolarHBondContact OD2-N 3.08Å; D49-E63 VanDerWaalsContact OD2-N 3.1Å; E63-E65 PolarHBondContact O-N 3.47Å; E63-R66 VanDerWaalsContact CA-NH2 3.28Å; E63-R66 PolarHBondContact O-N 3.09Å; E63-R66 VanDerWaalsContact O-N 3.15Å; E63-Y67 HydrophobicContact CB-CE1 4.19Å; E63-Y67 HydrophobicContact CB-CE2 3.93Å; E63-Y67 HydrophobicContact CG-CE2 3.94Å; E63-Y67 WeakPolarHBondContact O-CB 3.4Å; E63-Y67 VanDerWaalsContact O-CD1 3.28Å; E63-Y67 WeakPolarHBondContact O-CD1 3.28Å; E63-Y67 VanDerWaalsContact O-CD2 3.28Å; E63-Y67 WeakPolarHBondContact O-CD2 3.41Å; E63-Y67 PolarHBondContact O-N 3.4Å |
| 64 | Q | 97.1 | Very high | 93.4 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -42 | 178.5 | -62.8 | -61.2 | -42.8 | 0 | 0 | 111.6 | N62 R66 R68 | N62-Q64 VanDerWaalsContact C-N 3.31Å; N62-Q64 PolarHBondContact O-N 2.75Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.28Å; N62-Q64 PolarHBondContact OD1-N 2.8Å; N62-Q64 VanDerWaalsContact OD1-N 3.07Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.09Å; Q64-R68 VanDerWaalsContact O-CB 3.32Å; Q64-R68 WeakPolarHBondContact O-CB 3.15Å; Q64-R68 PolarHBondContact O-N 2.88Å |
| 65 | E | 96.9 | Very high | 93.8 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 173 | -69.3 | 168.7 | 147.2 | 0 | 0 | 110.8 | F61 N62 E63 M69 I238 M354 R362 | F61-E65 VanDerWaalsContact CA-OE2 3.28Å; F61-E65 WeakPolarHBondContact CA-OE2 3.26Å; F61-E65 HydrophobicContact CB-CB 3.97Å; F61-E65 WeakPolarHBondContact CB-OE2 3.44Å; F61-E65 HydrophobicContact CD1-CB 4.1Å; F61-E65 HydrophobicContact CD1-CG 4.45Å; F61-E65 WeakPolarHBondContact CD1-OE2 3.29Å; F61-E65 HydrophobicContact CG-CB 4.45Å; N62-E65 PolarHBondContact N-OE2 3.21Å; N62-E65 VanDerWaalsContact ND2-CD 3.3Å; N62-E65 PolarHBondContact ND2-OE2 2.9Å; N62-E65 WeakPolarHBondContact O-CB 3.31Å; N62-E65 PolarHBondContact O-N 3.28Å; N62-E65 WeakPolarHBondContact OD1-CG 3.27Å; N62-E65 PolarHBondContact OD1-N 3.33Å; E63-E65 PolarHBondContact O-N 3.47Å; E65-M69 WeakPolarHBondContact O-CB 3.44Å; E65-M69 WeakPolarHBondContact O-CG 3.26Å; E65-M69 PolarHBondContact O-N 3.25Å; E65-I238 HydrophobicContact CG-CG2 4.43Å; E65-M354 WeakPolarHBondContact OE1-CE 3.32Å; E65-R362 VanDerWaalsContact CD-NH1 3.35Å; E65-R362 IonicContact OE1-CZ 3.65Å; E65-R362 IonicContact OE1-NH1 3.3Å; E65-R362 PolarHBondContact OE1-NH1 2.76Å; E65-R362 IonicContact OE1-NH2 2.78Å; E65-R362 PolarHBondContact OE1-NH2 3.22Å; E65-R362 IonicContact OE2-CZ 2.75Å; E65-R362 IonicContact OE2-NH1 2.76Å; E65-R362 PolarHBondContact OE2-NH1 2.82Å; E65-R362 IonicContact OE2-NH2 3.19Å |
| 66 | R | 97.9 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69 | -45.9 | 179.7 | -65.8 | -179.4 | -61.1 | 96.8 | -1.2 | 112.1 | C20 V46 H47 D49 I52 F61 N62 E63 Q64 R68 M69 V70 | C20-R66 WeakPolarHBondContact O-CD 3.42Å; C20-R66 PolarHBondContact O-NH1 3.19Å; V46-R66 HydrophobicContact CG1-CB 4.2Å; H47-R66 VanDerWaalsContact O-CZ 3.25Å; H47-R66 PolarHBondContact O-NH1 3.35Å; H47-R66 PolarHBondContact O-NH2 3.05Å; D49-R66 IonicContact OD1-CZ 2.78Å; D49-R66 IonicContact OD1-NE 3.14Å; D49-R66 PolarHBondContact OD1-NE 3.37Å; D49-R66 IonicContact OD1-NH2 2.74Å; D49-R66 PolarHBondContact OD1-NH2 3.14Å; I52-R66 VanDerWaalsContact CD1-CZ 3.45Å; F61-R66 HydrophobicContact CB-CG 3.79Å; F61-R66 WeakPolarHBondContact O-CD 3.42Å; F61-R66 PolarHBondContact O-NE 3.31Å; N62-R66 WeakPolarHBondContact O-CG 3.48Å; N62-R66 PolarHBondContact O-N 2.67Å; E63-R66 VanDerWaalsContact CA-NH2 3.28Å; E63-R66 PolarHBondContact O-N 3.09Å; E63-R66 VanDerWaalsContact O-N 3.15Å; Q64-R66 VanDerWaalsContact C-N 3.32Å; Q64-R66 PolarHBondContact O-N 3.09Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.2Å; R66-M69 PolarHBondContact O-N 3.09Å; R66-V70 WeakPolarHBondContact O-CG2 3.39Å; R66-V70 PolarHBondContact O-N 2.78Å |
| 67 | Y | 98.2 | Very high | 95.4 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.3 | -47.7 | 175 | -59.6 | -22 | 0 | 0 | 0 | 110.6 | V46 E63 M69 V70 A71 E81 N82 | V46-Y67 HydrophobicContact CB-CD1 3.52Å; V46-Y67 HydrophobicContact CB-CE1 3.55Å; V46-Y67 HydrophobicContact CG1-CD1 3.52Å; V46-Y67 HydrophobicContact CG1-CE1 3.55Å; V46-Y67 HydrophobicContact CG2-CD1 4.24Å; V46-Y67 WeakPolarHBondContact O-CE1 3.5Å; E63-Y67 HydrophobicContact CB-CE1 4.19Å; E63-Y67 HydrophobicContact CB-CE2 3.93Å; E63-Y67 HydrophobicContact CG-CE2 3.94Å; E63-Y67 WeakPolarHBondContact O-CB 3.4Å; E63-Y67 VanDerWaalsContact O-CD1 3.28Å; E63-Y67 WeakPolarHBondContact O-CD1 3.28Å; E63-Y67 VanDerWaalsContact O-CD2 3.28Å; E63-Y67 WeakPolarHBondContact O-CD2 3.41Å; E63-Y67 PolarHBondContact O-N 3.4Å; Y67-M69 PolarHBondContact O-N 2.89Å; Y67-V70 PolarHBondContact O-N 2.76Å; Y67-A71 WeakPolarHBondContact O-CB 3.46Å; Y67-A71 PolarHBondContact O-N 3.06Å; Y67-E81 HydrophobicContact CD1-CG 4.17Å; Y67-E81 HydrophobicContact CD2-CB 4.04Å; Y67-E81 HydrophobicContact CD2-CG 3.44Å; Y67-E81 VanDerWaalsContact CD2-CG 3.44Å; Y67-E81 HydrophobicContact CE1-CB 4.19Å; Y67-E81 HydrophobicContact CE1-CG 4.3Å; Y67-E81 HydrophobicContact CE2-CB 3.6Å; Y67-E81 HydrophobicContact CE2-CG 3.58Å; Y67-E81 WeakPolarHBondContact CE2-OE2 3.3Å; Y67-E81 HydrophobicContact CG-CB 4.49Å; Y67-E81 HydrophobicContact CG-CG 3.76Å; Y67-N82 PolarHBondContact OH-N 2.85Å |
| 68 | R | 97.7 | Very high | 96.3 | Very high | 97 Ų | 97 | 33.5 Ų | 33.5 | 37% | 0.366 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.3 | -38.9 | -177.1 | -169.9 | 56.1 | 172.9 | 98.6 | -6.5 | 113.4 | Q64 R66 G72 I238 E245 | Q64-R68 VanDerWaalsContact O-CB 3.32Å; Q64-R68 WeakPolarHBondContact O-CB 3.15Å; Q64-R68 PolarHBondContact O-N 2.88Å; R66-R68 VanDerWaalsContact C-N 3.29Å; R66-R68 PolarHBondContact O-N 3.2Å; R68-G72 PolarHBondContact O-N 2.73Å; R68-I238 HydrophobicContact CB-CD1 3.81Å; R68-I238 HydrophobicContact CG-CD1 3.26Å; R68-I238 HydrophobicContact CG-CG1 4.45Å; R68-E245 IonicContact CZ-OE1 2.68Å; R68-E245 IonicContact CZ-OE2 2.96Å; R68-E245 IonicContact NH1-OE1 2.85Å; R68-E245 PolarHBondContact NH1-OE1 3.44Å; R68-E245 IonicContact NH1-OE2 3.72Å; R68-E245 IonicContact NH2-OE1 3.24Å; R68-E245 PolarHBondContact NH2-OE1 3.26Å; R68-E245 IonicContact NH2-OE2 3.97Å; R68-E245 PolarHBondContact NH2-OE2 3.35Å |
| 69 | M | 98.2 | Very high | 96.8 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 175.3 | -75.3 | -66.3 | -75.5 | 0 | 0 | 111.6 | V24 E65 R66 Y67 A71 G72 F236 I238 L241 Y287 | V24-M69 HydrophobicContact CB-CE 4.22Å; V24-M69 HydrophobicContact CG2-CB 3.97Å; E65-M69 WeakPolarHBondContact O-CB 3.44Å; E65-M69 WeakPolarHBondContact O-CG 3.26Å; E65-M69 PolarHBondContact O-N 3.25Å; R66-M69 PolarHBondContact O-N 3.09Å; Y67-M69 PolarHBondContact O-N 2.89Å; M69-A71 PolarHBondContact O-N 3.34Å; M69-G72 PolarHBondContact O-N 2.85Å; M69-F236 HydrophobicContact CE-CD1 4.11Å; M69-F236 WeakPolarHBondContact CE-O 3.41Å; M69-I238 HydrophobicContact CG-CB 4.33Å; M69-I238 VanDerWaalsContact SD-CA 3.56Å; M69-I238 HydrophobicContact SD-CB 4.11Å; M69-I238 HydrophobicContact SD-CD1 4.46Å; M69-I238 PolarHBondContact SD-N 3.39Å; M69-L241 HydrophobicContact SD-CB 4.43Å; M69-L241 HydrophobicContact SD-CD2 4.28Å; M69-Y287 HydrophobicContact CE-CE1 4.41Å; M69-Y287 WeakPolarHBondContact CE-OH 3.48Å; M69-Y287 WeakPolarHBondContact O-CE1 3.41Å; M69-Y287 HydrophobicContact SD-CE1 4.44Å |
| 70 | V | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63 | -42.6 | 178.1 | 176.7 | 0 | 0 | 0 | 0 | 111.2 | Y21 V44 V46 R66 Y67 G72 I73 V76 V79 | Y21-V70 VanDerWaalsContact CB-CG2 3.43Å; Y21-V70 HydrophobicContact CD1-CG2 4.13Å; Y21-V70 HydrophobicContact CD2-CG2 3.81Å; Y21-V70 HydrophobicContact CG-CG2 3.51Å; V44-V70 HydrophobicContact CB-CG1 3.82Å; V44-V70 HydrophobicContact CG1-CG1 3.59Å; V44-V70 HydrophobicContact CG2-CG1 4.32Å; V46-V70 HydrophobicContact CG2-CB 4.19Å; V46-V70 HydrophobicContact CG2-CG1 4.16Å; V46-V70 HydrophobicContact CG2-CG2 3.97Å; R66-V70 WeakPolarHBondContact O-CG2 3.39Å; R66-V70 PolarHBondContact O-N 2.78Å; Y67-V70 PolarHBondContact O-N 2.76Å; V70-G72 PolarHBondContact O-N 2.83Å; V70-I73 WeakPolarHBondContact O-CB 3.26Å; V70-I73 PolarHBondContact O-N 3.18Å; V70-I73 VanDerWaalsContact O-N 3.12Å; V70-V76 HydrophobicContact CG1-CG1 4.31Å; V70-V76 HydrophobicContact CG1-CG2 4.25Å; V70-V79 HydrophobicContact CB-CG2 4.2Å; V70-V79 HydrophobicContact CG1-CG2 3.8Å |
| 71 | A | 98.3 | Very high | 97.5 | Very high | 33 Ų | 33 | 38 Ų | 38 | 27% | 0.273 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.8 | -27 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y67 M69 V79 K288 | Y67-A71 WeakPolarHBondContact O-CB 3.46Å; Y67-A71 PolarHBondContact O-N 3.06Å; M69-A71 PolarHBondContact O-N 3.34Å; A71-V79 HydrophobicContact CB-CG2 3.78Å; A71-K288 PolarHBondContact O-NZ 3.25Å |
| 72 | G | 97.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.9 | -17.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R68 M69 V70 Y287 K288 | R68-G72 PolarHBondContact O-N 2.73Å; M69-G72 PolarHBondContact O-N 2.85Å; V70-G72 PolarHBondContact O-N 2.83Å; G72-Y287 VanDerWaalsContact C-CD1 3.41Å; G72-Y287 WeakPolarHBondContact O-CA 3.25Å; G72-Y287 VanDerWaalsContact O-CD1 3.3Å; G72-Y287 WeakPolarHBondContact O-CD1 3.44Å; G72-K288 WeakPolarHBondContact O-CG 3.45Å; G72-K288 PolarHBondContact O-N 3.25Å |
| 73 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 130.2 | -179.2 | -61.8 | 172.4 | 0 | 0 | 0 | 109.4 | V24 L32 V70 W75 V76 A286 Y287 K288 | V24-I73 HydrophobicContact CG1-CD1 3.98Å; L32-I73 HydrophobicContact CD1-CD1 3.56Å; L32-I73 HydrophobicContact CD1-CG2 4.38Å; V70-I73 WeakPolarHBondContact O-CB 3.26Å; V70-I73 PolarHBondContact O-N 3.18Å; V70-I73 VanDerWaalsContact O-N 3.12Å; I73-W75 VanDerWaalsContact C-N 3.26Å; I73-W75 HydrophobicContact CG2-CE3 3.68Å; I73-W75 HydrophobicContact CG2-CZ3 4.31Å; I73-W75 PolarHBondContact O-N 2.87Å; I73-W75 VanDerWaalsContact O-N 3.16Å; I73-V76 HydrophobicContact CB-CG2 3.95Å; I73-V76 HydrophobicContact CG2-CG2 4.17Å; I73-V76 PolarHBondContact O-N 2.96Å; I73-A286 WeakPolarHBondContact CA-O 3.36Å; I73-Y287 HydrophobicContact CG1-CE1 4.08Å; I73-K288 VanDerWaalsContact O-CE 3.29Å; I73-K288 WeakPolarHBondContact O-CE 3.33Å |
| 74 | K | 97.1 | Very high | 97.4 | Very high | 42 Ų | 42 | 39 Ų | 39 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19 | -169.1 | 70.8 | -169.8 | -176.7 | -176 | 0 | 116.5 | F214 L285 A286 K288 | K74-F214 WeakPolarHBondContact CE-O 3.22Å; K74-F214 PolarHBondContact NZ-O 3.32Å; K74-L285 VanDerWaalsContact CE-O 3.3Å; K74-L285 WeakPolarHBondContact CE-O 3.3Å; K74-L285 PolarHBondContact NZ-O 3.3Å; K74-A286 WeakPolarHBondContact CG-O 3.32Å; K74-A286 PolarHBondContact N-O 2.96Å; K74-K288 HydrophobicContact CB-CG 3.87Å |
| 75 | W | 97.6 | Very high | 97.1 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 13% | 0.133 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.6 | 175.9 | -58 | -69.7 | 0 | 0 | 0 | 113.4 | A29 R33 K36 I73 F214 A286 | A29-W75 HydrophobicContact CB-CZ3 4.06Å; A29-W75 WeakPolarHBondContact O-CZ3 3.41Å; R33-W75 HydrophobicContact CB-CD2 3.57Å; R33-W75 HydrophobicContact CB-CE3 3.7Å; R33-W75 HydrophobicContact CB-CG 4.12Å; R33-W75 HydrophobicContact CB-CH2 3.99Å; R33-W75 HydrophobicContact CB-CZ2 3.88Å; R33-W75 HydrophobicContact CB-CZ3 3.91Å; R33-W75 HydrophobicContact CG-CD2 3.9Å; R33-W75 VanDerWaalsContact CG-CE2 3.44Å; R33-W75 HydrophobicContact CG-CE3 4.42Å; R33-W75 HydrophobicContact CG-CG 4.35Å; R33-W75 HydrophobicContact CG-CH2 4.15Å; R33-W75 HydrophobicContact CG-CZ2 3.59Å; K36-W75 HydrophobicContact CB-CB 3.98Å; K36-W75 HydrophobicContact CG-CB 4.17Å; I73-W75 VanDerWaalsContact C-N 3.26Å; I73-W75 HydrophobicContact CG2-CE3 3.68Å; I73-W75 HydrophobicContact CG2-CZ3 4.31Å; I73-W75 PolarHBondContact O-N 2.87Å; I73-W75 VanDerWaalsContact O-N 3.16Å; W75-F214 AromaticContact CH2-CD1 3.76Å; W75-F214 HydrophobicContact CH2-CD1 3.76Å; W75-F214 HydrophobicContact CH2-CD2 4.29Å; W75-F214 AromaticContact CH2-CE1 3.94Å; W75-F214 HydrophobicContact CH2-CE1 3.94Å; W75-F214 HydrophobicContact CH2-CE2 4.44Å; W75-F214 AromaticContact CH2-CG 3.95Å; W75-F214 HydrophobicContact CH2-CG 3.95Å; W75-F214 HydrophobicContact CH2-CZ 4.28Å; W75-F214 HydrophobicContact CZ3-CD1 4.39Å; W75-F214 HydrophobicContact CZ3-CE1 4.18Å; W75-A286 HydrophobicContact CZ3-CB 4.2Å |
| 76 | V | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | trans | -89.3 | 121.5 | -178.9 | 179.9 | 0 | 0 | 0 | 0 | 110 | L32 L42 V44 V70 I73 V79 K288 | L32-V76 HydrophobicContact CB-CG2 4.49Å; L32-V76 HydrophobicContact CD1-CG2 3.77Å; L42-V76 HydrophobicContact CD2-CG2 4.37Å; V44-V76 HydrophobicContact CB-CG1 4.24Å; V44-V76 HydrophobicContact CG2-CB 4.35Å; V44-V76 HydrophobicContact CG2-CG1 3.79Å; V44-V76 HydrophobicContact CG2-CG2 3.73Å; V70-V76 HydrophobicContact CG1-CG1 4.31Å; V70-V76 HydrophobicContact CG1-CG2 4.25Å; I73-V76 HydrophobicContact CB-CG2 3.95Å; I73-V76 HydrophobicContact CG2-CG2 4.17Å; I73-V76 PolarHBondContact O-N 2.96Å; V76-V79 HydrophobicContact CG1-CG2 3.85Å; V76-K288 WeakPolarHBondContact O-CE 3.45Å; V76-K288 PolarHBondContact O-NZ 2.83Å | ||
| 77 | D | 97.3 | Very high | 96.5 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 42% | 0.422 | 19% | 0.191 | S | C | . | . | trans | -91.4 | -35.5 | 177.1 | -50.3 | -79.4 | 0 | 0 | 0 | 111.9 | K36 K41 L42 | K36-D77 IonicContact NZ-OD1 3.84Å; K36-D77 PolarHBondContact NZ-OD1 3.3Å; K36-D77 IonicContact NZ-OD2 3.93Å; K36-D77 PolarHBondContact NZ-OD2 3.21Å; K41-D77 VanDerWaalsContact CA-OD2 3.29Å; K41-D77 WeakPolarHBondContact CA-OD2 3.45Å; K41-D77 HydrophobicContact CG-CB 3.8Å; L42-D77 PolarHBondContact N-OD2 2.92Å; L42-D77 PolarHBondContact O-N 3.16Å; L42-D77 VanDerWaalsContact O-N 3.1Å | ||
| 78 | E | 97.3 | Very high | 96.3 | Very high | 69 Ų | 69 | 38.2 Ų | 38.2 | 32% | 0.322 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.5 | -174.3 | -169.1 | 175.5 | 149.8 | 0 | 0 | 110.5 | K41 L42 I43 V44 | K41-E78 VanDerWaalsContact CE-OE2 3.26Å; K41-E78 WeakPolarHBondContact CE-OE2 3.04Å; K41-E78 IonicContact NZ-OE2 3.09Å; K41-E78 PolarHBondContact NZ-OE2 2.85Å; L42-E78 PolarHBondContact O-N 2.89Å; I43-E78 WeakPolarHBondContact CA-O 3.4Å; I43-E78 HydrophobicContact CG1-CB 4.33Å; I43-E78 HydrophobicContact CG2-CB 4.32Å; I43-E78 HydrophobicContact CG2-CG 4.45Å; V44-E78 PolarHBondContact N-O 3.06Å |
| 79 | V | 98.3 | Very high | 96.2 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 129 | 172.8 | 174.5 | 0 | 0 | 0 | 0 | 108.5 | V44 V46 V70 A71 V76 | V44-V79 CarbonylContact O-C 3.37Å; V44-V79 WeakPolarHBondContact O-CA 3.49Å; V46-V79 HydrophobicContact CG2-CG1 3.91Å; V70-V79 HydrophobicContact CB-CG2 4.2Å; V70-V79 HydrophobicContact CG1-CG2 3.8Å; A71-V79 HydrophobicContact CB-CG2 3.78Å; V76-V79 HydrophobicContact CG1-CG2 3.85Å |
| 80 | V | 98.2 | Very high | 96 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 109.7 | 171.9 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | W16 I43 V44 G45 V46 Y95 | W16-V80 HydrophobicContact CH2-CB 3.92Å; W16-V80 HydrophobicContact CH2-CG1 3.98Å; W16-V80 HydrophobicContact CH2-CG2 4.29Å; W16-V80 HydrophobicContact CZ3-CB 4.06Å; W16-V80 HydrophobicContact CZ3-CG1 4.41Å; W16-V80 HydrophobicContact CZ3-CG2 3.92Å; I43-V80 HydrophobicContact CG2-CG2 3.57Å; V44-V80 PolarHBondContact O-N 2.66Å; G45-V80 WeakPolarHBondContact CA-O 3.32Å; V46-V80 PolarHBondContact N-O 2.93Å; V80-Y95 HydrophobicContact CG1-CE1 4.02Å; V80-Y95 HydrophobicContact CG1-CE2 3.81Å; V80-Y95 VanDerWaalsContact CG1-CZ 3.4Å; V80-Y95 WeakPolarHBondContact CG1-OH 3.32Å; V80-Y95 HydrophobicContact CG2-CD1 3.95Å; V80-Y95 HydrophobicContact CG2-CE1 3.68Å; V80-Y95 HydrophobicContact CG2-CE2 4.31Å; V80-Y95 HydrophobicContact CG2-CG 4.41Å |
| 81 | E | 97.9 | Very high | 95.9 | Very high | 108 Ų | 108 | 41.8 Ų | 41.8 | 51% | 0.505 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 155.3 | 174.9 | -57.1 | -171.7 | -175 | 0 | 0 | 111.1 | Y67 A83 | Y67-E81 HydrophobicContact CD1-CG 4.17Å; Y67-E81 HydrophobicContact CD2-CB 4.04Å; Y67-E81 HydrophobicContact CD2-CG 3.44Å; Y67-E81 VanDerWaalsContact CD2-CG 3.44Å; Y67-E81 HydrophobicContact CE1-CB 4.19Å; Y67-E81 HydrophobicContact CE1-CG 4.3Å; Y67-E81 HydrophobicContact CE2-CB 3.6Å; Y67-E81 HydrophobicContact CE2-CG 3.58Å; Y67-E81 WeakPolarHBondContact CE2-OE2 3.3Å; Y67-E81 HydrophobicContact CG-CB 4.49Å; Y67-E81 HydrophobicContact CG-CG 3.76Å; E81-A83 VanDerWaalsContact C-N 3.28Å; E81-A83 PolarHBondContact O-N 3.31Å |
| 82 | N | 96.8 | Very high | 95.8 | Very high | 101 Ų | 101 | 40.2 Ų | 40.2 | 54% | 0.54 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 43.4 | 179.2 | -169.5 | 32.8 | 0 | 0 | 0 | 113.9 | V46 N48 Y67 | V46-N82 PolarHBondContact O-N 2.88Å; V46-N82 VanDerWaalsContact O-N 3.15Å; N48-N82 WeakPolarHBondContact CB-OD1 3.13Å; N48-N82 PolarHBondContact ND2-OD1 2.81Å; Y67-N82 PolarHBondContact OH-N 2.85Å |
| 83 | A | 95.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 2% | 0.017 | 23% | 0.232 | C | C | . | . | trans | -70.9 | 142.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W16 G45 V46 H47 E81 | W16-A83 HydrophobicContact CH2-CB 4.29Å; W16-A83 HydrophobicContact CZ2-CB 4.12Å; G45-A83 VanDerWaalsContact CA-CB 3.45Å; V46-A83 PolarHBondContact O-N 3.22Å; V46-A83 VanDerWaalsContact O-N 3.09Å; H47-A83 WeakPolarHBondContact CA-O 3.46Å; H47-A83 PolarHBondContact ND1-O 3.38Å; E81-A83 VanDerWaalsContact C-N 3.28Å; E81-A83 PolarHBondContact O-N 3.31Å | ||
| 84 | P | 92.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 51.7 Ų | 51.7 | 37% | 0.37 | 26% | 0.263 | S | S | . | . | trans | -59.5 | 153.2 | 175.8 | 25.9 | -33.6 | 0 | 0 | 0 | 111.3 | H47 A86 T91 | H47-P84 PolarHBondContact CE1-O 3.31Å; H47-P84 PolarHBondContact ND1-O 3.32Å; P84-A86 VanDerWaalsContact C-N 3.33Å; P84-A86 PolarHBondContact O-N 2.83Å; P84-T91 HydrophobicContact CG-CG2 4.36Å | ||
| 85 | Y | 89.2 | Confident | 95.3 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 19% | 0.192 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -67.9 | -31.5 | -177.9 | -165.2 | -95.4 | 0 | 0 | 0 | 113.7 | H47 E51 H55 | H47-Y85 AromaticContact CD2-CD2 3.88Å; E51-Y85 HydrophobicContact CG-CD2 4.36Å; E51-Y85 VanDerWaalsContact OE1-CB 3.29Å; E51-Y85 WeakPolarHBondContact OE1-CB 3.4Å; H55-Y85 HydrophobicContact CB-CD1 4.32Å; H55-Y85 HydrophobicContact CB-CD2 4.11Å; H55-Y85 HydrophobicContact CB-CE1 3.87Å; H55-Y85 HydrophobicContact CB-CE2 3.61Å; H55-Y85 HydrophobicContact CB-CG 4.44Å; H55-Y85 VanDerWaalsContact CB-CZ 3.48Å; H55-Y85 AromaticContact CD2-CD1 3.55Å; H55-Y85 AromaticContact CD2-CE1 3.68Å; H55-Y85 AromaticContact CD2-CG 3.99Å; H55-Y85 AromaticContact CE1-CD1 3.99Å; H55-Y85 AromaticContact CE1-CG 3.73Å; H55-Y85 AromaticContact CG-CD1 3.7Å; H55-Y85 AromaticContact CG-CD2 3.84Å; H55-Y85 AromaticContact CG-CE1 3.72Å; H55-Y85 AromaticContact CG-CE2 3.85Å; H55-Y85 AromaticContact CG-CG 3.76Å; H55-Y85 AromaticContact CG-CZ 3.79Å; H55-Y85 AromaticContact ND1-CD1 3.98Å; H55-Y85 AromaticContact ND1-CD2 3.68Å; H55-Y85 AromaticContact ND1-CG 3.6Å; H55-Y85 AromaticContact NE2-CD1 3.76Å; H55-Y85 AromaticContact NE2-CG 3.99Å |
| 86 | A | 89.7 | Confident | 95 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 30% | 0.298 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -108.9 | 130.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P84 T88 T115 | P84-A86 VanDerWaalsContact C-N 3.33Å; P84-A86 PolarHBondContact O-N 2.83Å; A86-T88 PolarHBondContact O-N 2.88Å; A86-T115 HydrophobicContact CB-CG2 3.74Å |
| 87 | T | 92.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | trans | -70.3 | 124.8 | 173.5 | -40 | 0 | 0 | 0 | 0 | 110.2 | D18 L92 C100 Y116 V119 | D18-T87 PolarHBondContact OD2-OG1 2.92Å; T87-L92 HydrophobicContact CG2-CD2 3.86Å; T87-L92 HydrophobicContact CG2-CG 4.15Å; T87-C100 HydrophobicContact CG2-CB 4.09Å; T87-Y116 WeakPolarHBondContact OG1-CE1 3.32Å; T87-V119 HydrophobicContact CG2-CG1 4.23Å | ||
| 88 | T | 94.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 50.1 Ų | 50.1 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -110.7 | 160 | 175.3 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | A86 E90 T91 L92 | A86-T88 PolarHBondContact O-N 2.88Å; T88-E90 PolarHBondContact O-N 3.02Å; T88-T91 WeakPolarHBondContact O-CB 3.43Å; T88-T91 PolarHBondContact O-N 3.02Å; T88-T91 VanDerWaalsContact O-N 3.11Å; T88-T91 PolarHBondContact OG1-N 2.9Å; T88-T91 VanDerWaalsContact OG1-N 3.08Å; T88-T91 PolarHBondContact OG1-OG1 3.27Å; T88-L92 PolarHBondContact O-N 3.37Å; T88-L92 VanDerWaalsContact O-N 3.13Å | ||
| 89 | V | 95 | Very high | 94.2 | Very high | 17 Ų | 17 | 47.8 Ų | 47.8 | 10% | 0.103 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -37.5 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 110.2 | T91 L92 D93 E118 V119 H122 | V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.26Å; V89-L92 PolarHBondContact O-N 2.96Å; V89-D93 PolarHBondContact O-N 3.05Å; V89-E118 VanDerWaalsContact CB-OE1 3.3Å; V89-E118 WeakPolarHBondContact CB-OE1 3.38Å; V89-E118 HydrophobicContact CG2-CG 4Å; V89-E118 WeakPolarHBondContact CG2-OE1 3.37Å; V89-E118 PolarHBondContact N-OE1 3.09Å; V89-V119 HydrophobicContact CG2-CG1 4.22Å; V89-H122 HydrophobicContact CG2-CB 4Å |
| 90 | E | 95.7 | Very high | 94.1 | Very high | 153 Ų | 153 | 46.2 Ų | 46.2 | 72% | 0.715 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -57.5 | -42.5 | 173.5 | -176.5 | -177.1 | 179.1 | 0 | 0 | 112.3 | T88 D93 K94 | T88-E90 PolarHBondContact O-N 3.02Å; E90-D93 PolarHBondContact O-N 3.01Å; E90-K94 VanDerWaalsContact O-CB 3.28Å; E90-K94 WeakPolarHBondContact O-CB 3.28Å; E90-K94 PolarHBondContact O-N 3Å |
| 91 | T | 95.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.08 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 177 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | W16 P84 T88 V89 D93 K94 Y95 | W16-T91 HydrophobicContact CH2-CG2 3.96Å; W16-T91 HydrophobicContact CZ2-CG2 3.69Å; P84-T91 HydrophobicContact CG-CG2 4.36Å; T88-T91 WeakPolarHBondContact O-CB 3.43Å; T88-T91 PolarHBondContact O-N 3.02Å; T88-T91 VanDerWaalsContact O-N 3.11Å; T88-T91 PolarHBondContact OG1-N 2.9Å; T88-T91 VanDerWaalsContact OG1-N 3.08Å; T88-T91 PolarHBondContact OG1-OG1 3.27Å; V89-T91 VanDerWaalsContact C-N 3.32Å; V89-T91 PolarHBondContact O-N 3.26Å; T91-D93 PolarHBondContact O-N 3.49Å; T91-K94 PolarHBondContact O-N 3.07Å; T91-Y95 HydrophobicContact CG2-CD2 4.1Å; T91-Y95 HydrophobicContact CG2-CE2 4.1Å; T91-Y95 VanDerWaalsContact O-CD2 3.25Å; T91-Y95 WeakPolarHBondContact O-CD2 3.48Å; T91-Y95 PolarHBondContact O-N 3.32Å |
| 92 | L | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -43.6 | 177.1 | -61.2 | -177.5 | 0 | 0 | 0 | 111.5 | W16 T87 T88 V89 Y95 D96 C97 C100 V119 R124 | W16-L92 HydrophobicContact CB-CD2 3.48Å; W16-L92 VanDerWaalsContact CB-CD2 3.48Å; W16-L92 HydrophobicContact CG-CD2 3.69Å; T87-L92 HydrophobicContact CG2-CD2 3.86Å; T87-L92 HydrophobicContact CG2-CG 4.15Å; T88-L92 PolarHBondContact O-N 3.37Å; T88-L92 VanDerWaalsContact O-N 3.13Å; V89-L92 PolarHBondContact O-N 2.96Å; L92-Y95 PolarHBondContact O-N 3.39Å; L92-D96 PolarHBondContact O-N 3.31Å; L92-C97 HydrophobicContact CD2-CB 4.11Å; L92-C97 PolarHBondContact O-N 3.41Å; L92-C100 HydrophobicContact CD2-CB 4.12Å; L92-V119 HydrophobicContact CD1-CB 4.44Å; L92-V119 HydrophobicContact CD1-CG1 3.81Å; L92-V119 HydrophobicContact CG-CG1 4.47Å; L92-R124 HydrophobicContact CD1-CB 3.84Å |
| 93 | D | 94.3 | Very high | 93 | Very high | 92 Ų | 92 | 37.2 Ų | 37.2 | 49% | 0.492 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.7 | -40.4 | 178.6 | -69.7 | -18.9 | 0 | 0 | 0 | 112.3 | V89 E90 T91 Y95 D96 R124 | V89-D93 PolarHBondContact O-N 3.05Å; E90-D93 PolarHBondContact O-N 3.01Å; T91-D93 PolarHBondContact O-N 3.49Å; D93-Y95 PolarHBondContact O-N 3.03Å; D93-D96 PolarHBondContact O-N 3.13Å; D93-D96 VanDerWaalsContact O-N 3.14Å; D93-R124 IonicContact OD1-CZ 2.77Å; D93-R124 VanDerWaalsContact OD1-CZ 3.24Å; D93-R124 IonicContact OD1-NH1 3.21Å; D93-R124 PolarHBondContact OD1-NH1 3.19Å; D93-R124 IonicContact OD1-NH2 3.88Å; D93-R124 PolarHBondContact OD1-NH2 3.04Å; D93-R124 IonicContact OD2-NH1 3.45Å |
| 94 | K | 94.8 | Very high | 92.3 | Very high | 150 Ų | 150 | 40.6 Ų | 40.6 | 65% | 0.652 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -56.5 | -37.9 | 177.1 | -179.2 | -178.6 | 177.6 | -171.9 | 0 | 112.5 | E90 T91 | E90-K94 VanDerWaalsContact O-CB 3.28Å; E90-K94 WeakPolarHBondContact O-CB 3.28Å; E90-K94 PolarHBondContact O-N 3Å; T91-K94 PolarHBondContact O-N 3.07Å |
| 95 | Y | 93.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 40 Ų | 40 | 20% | 0.204 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 9.1 | -179.2 | -61.1 | -67.5 | 0 | 0 | 0 | 113.9 | R14 W16 V80 T91 L92 D93 C97 | R14-Y95 PolarHBondContact NE-O 2.8Å; R14-Y95 VanDerWaalsContact NE-O 3.08Å; R14-Y95 PolarHBondContact NH2-O 3.03Å; W16-Y95 HydrophobicContact CE3-CD2 4.12Å; W16-Y95 AromaticContact CH2-CD2 3.88Å; W16-Y95 HydrophobicContact CH2-CD2 3.88Å; W16-Y95 AromaticContact CH2-CE2 3.89Å; W16-Y95 HydrophobicContact CH2-CE2 3.89Å; W16-Y95 AromaticContact CZ3-CD2 3.41Å; W16-Y95 HydrophobicContact CZ3-CD2 3.41Å; W16-Y95 VanDerWaalsContact CZ3-CD2 3.41Å; W16-Y95 AromaticContact CZ3-CE2 3.86Å; W16-Y95 HydrophobicContact CZ3-CE2 3.86Å; W16-Y95 AromaticContact CZ3-CG 3.97Å; W16-Y95 HydrophobicContact CZ3-CG 3.97Å; V80-Y95 HydrophobicContact CG1-CE1 4.02Å; V80-Y95 HydrophobicContact CG1-CE2 3.81Å; V80-Y95 VanDerWaalsContact CG1-CZ 3.4Å; V80-Y95 WeakPolarHBondContact CG1-OH 3.32Å; V80-Y95 HydrophobicContact CG2-CD1 3.95Å; V80-Y95 HydrophobicContact CG2-CE1 3.68Å; V80-Y95 HydrophobicContact CG2-CE2 4.31Å; V80-Y95 HydrophobicContact CG2-CG 4.41Å; T91-Y95 HydrophobicContact CG2-CD2 4.1Å; T91-Y95 HydrophobicContact CG2-CE2 4.1Å; T91-Y95 VanDerWaalsContact O-CD2 3.25Å; T91-Y95 WeakPolarHBondContact O-CD2 3.48Å; T91-Y95 PolarHBondContact O-N 3.32Å; L92-Y95 PolarHBondContact O-N 3.39Å; D93-Y95 PolarHBondContact O-N 3.03Å; Y95-C97 PolarHBondContact O-N 3.48Å |
| 96 | D | 92.6 | Very high | 90.7 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 16% | 0.155 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.9 | -178 | -159.1 | 39.7 | 0 | 0 | 0 | 112.8 | A5 K11 R14 L92 D93 | A5-D96 VanDerWaalsContact CA-OD2 3.26Å; A5-D96 WeakPolarHBondContact CA-OD2 3.47Å; A5-D96 WeakPolarHBondContact CB-OD2 3.46Å; K11-D96 WeakPolarHBondContact CE-OD1 3.17Å; K11-D96 IonicContact NZ-OD1 3.61Å; K11-D96 PolarHBondContact NZ-OD1 3.19Å; K11-D96 IonicContact NZ-OD2 3.75Å; R14-D96 WeakPolarHBondContact CB-O 3.33Å; R14-D96 WeakPolarHBondContact CD-O 3.26Å; L92-D96 PolarHBondContact O-N 3.31Å; D93-D96 PolarHBondContact O-N 3.13Å; D93-D96 VanDerWaalsContact O-N 3.14Å |
| 97 | C | 94 | Very high | 89.7 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | trans | -85.8 | 133.4 | 177 | -73.6 | 0 | 0 | 0 | 0 | 110.9 | R14 W16 I43 L92 Y95 R124 | R14-C97 WeakPolarHBondContact O-CA 3.42Å; W16-C97 HydrophobicContact CB-CB 3.83Å; I43-C97 VanDerWaalsContact CD1-SG 3.56Å; L92-C97 HydrophobicContact CD2-CB 4.11Å; L92-C97 PolarHBondContact O-N 3.41Å; Y95-C97 PolarHBondContact O-N 3.48Å; C97-R124 PolarHBondContact O-NH2 2.89Å | ||
| 98 | D | 88.5 | Confident | 88.7 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 23% | 0.23 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -73.4 | -38.3 | -176.3 | -58.2 | -76.3 | 0 | 0 | 0 | 111.7 | G12 N13 R14 R124 | G12-D98 WeakPolarHBondContact CA-OD1 3.19Å; G12-D98 WeakPolarHBondContact CA-OD2 3.38Å; G12-D98 VanDerWaalsContact N-CG 3.27Å; G12-D98 PolarHBondContact N-OD1 3.18Å; G12-D98 PolarHBondContact N-OD2 3.16Å; N13-D98 PolarHBondContact N-OD2 3.5Å; R14-D98 PolarHBondContact N-OD2 2.65Å; R14-D98 VanDerWaalsContact N-OD2 3.1Å; R14-D98 PolarHBondContact O-N 3.24Å; D98-R124 VanDerWaalsContact O-CG 3.28Å; D98-R124 WeakPolarHBondContact O-CG 3.48Å; D98-R124 PolarHBondContact O-NE 3.11Å |
| 99 | F | 93.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 9% | 0.092 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.7 | 179.4 | 50.1 | -92.7 | 0 | 0 | 0 | 110.5 | V15 W16 F38 V101 R124 R126 | V15-F99 HydrophobicContact CB-CE2 4.4Å; V15-F99 HydrophobicContact CG1-CD2 4.47Å; V15-F99 HydrophobicContact CG1-CE2 4Å; V15-F99 HydrophobicContact CG2-CE2 3.83Å; V15-F99 HydrophobicContact CG2-CZ 3.93Å; W16-F99 PolarHBondContact N-O 3.48Å; F38-F99 HydrophobicContact CB-CE2 3.5Å; F38-F99 HydrophobicContact CB-CZ 3.61Å; F38-F99 HydrophobicContact CD1-CE2 4.5Å; F38-F99 HydrophobicContact CG-CE2 4.15Å; F99-V101 HydrophobicContact CD2-CG2 3.98Å; F99-V101 HydrophobicContact CE2-CG2 3.86Å; F99-R124 CarbonylContact C-O 3.43Å; F99-R124 WeakPolarHBondContact CA-O 3.28Å; F99-R124 HydrophobicContact CB-CB 4.3Å; F99-R124 WeakPolarHBondContact CB-O 3.12Å; F99-R126 HydrophobicContact CB-CG 4.41Å; F99-R126 HydrophobicContact CD2-CB 4.21Å; F99-R126 HydrophobicContact CD2-CG 3.56Å; F99-R126 HydrophobicContact CE2-CG 4.03Å; F99-R126 HydrophobicContact CG-CG 3.97Å |
| 100 | C | 95.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 150.6 | 164.8 | 63.4 | 0 | 0 | 0 | 0 | 111.8 | W16 T87 L92 R124 Y125 R126 | W16-C100 HydrophobicContact CB-CB 4.19Å; W16-C100 HydrophobicContact CG-CB 4.4Å; W16-C100 CarbonylContact O-C 3.48Å; W16-C100 WeakPolarHBondContact O-CA 3.37Å; T87-C100 HydrophobicContact CG2-CB 4.09Å; L92-C100 HydrophobicContact CD2-CB 4.12Å; C100-R124 PolarHBondContact N-O 3.1Å; C100-Y125 VanDerWaalsContact SG-CD2 3.54Å; C100-R126 PolarHBondContact O-N 3.5Å |
| 101 | V | 94.9 | Very high | 85.2 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127 | 169.7 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | V15 W16 A35 F38 F99 R126 C128 | V15-V101 HydrophobicContact CG1-CB 4.14Å; V15-V101 HydrophobicContact CG1-CG2 3.46Å; V15-V101 VanDerWaalsContact CG1-CG2 3.46Å; W16-V101 PolarHBondContact O-N 3.31Å; A35-V101 HydrophobicContact CB-CB 3.77Å; A35-V101 HydrophobicContact CB-CG1 3.84Å; A35-V101 HydrophobicContact CB-CG2 4.23Å; F38-V101 HydrophobicContact CB-CG2 4.35Å; F38-V101 HydrophobicContact CD2-CG1 4.29Å; F38-V101 HydrophobicContact CD2-CG2 3.67Å; F38-V101 HydrophobicContact CE2-CG1 4.09Å; F38-V101 HydrophobicContact CE2-CG2 4.15Å; F38-V101 HydrophobicContact CG-CG2 4.1Å; F99-V101 HydrophobicContact CD2-CG2 3.98Å; F99-V101 HydrophobicContact CE2-CG2 3.86Å; V101-R126 WeakPolarHBondContact CA-O 3.04Å; V101-R126 HydrophobicContact CG2-CB 3.91Å; V101-C128 HydrophobicContact CG1-CB 3.98Å |
| 102 | H | 90.9 | Very high | 84 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 11% | 0.111 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 162.8 | 174.1 | -161.1 | -87.5 | 0 | 0 | 0 | 111.4 | T107 Y116 Y125 R126 E127 C128 | H102-T107 WeakPolarHBondContact CE1-CG2 3.33Å; H102-Y116 HydrophobicContact CB-CE1 4.35Å; H102-Y116 HydrophobicContact CB-CE2 4.43Å; H102-Y116 AromaticContact CD2-CZ 3.53Å; H102-Y116 PolarHBondContact CD2-OH 3.39Å; H102-Y116 AromaticContact CG-CE2 3.97Å; H102-Y116 AromaticContact CG-CZ 3.73Å; H102-Y116 PolarHBondContact NE2-OH 3.12Å; H102-Y125 HydrophobicContact CB-CE2 3.89Å; H102-R126 PolarHBondContact N-O 3.38Å; H102-E127 CarbonylContact O-C 3.59Å; H102-E127 WeakPolarHBondContact O-CA 3.44Å; H102-C128 PolarHBondContact O-N 3.4Å; H102-C128 PolarHBondContact O-SG 2.6Å |
| 103 | G | 84.9 | Confident | 83.1 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 155 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D105 C128 | G103-D105 PolarHBondContact O-N 3.44Å; G103-C128 WeakPolarHBondContact CA-O 3.3Å |
| 104 | D | 81.4 | Confident | 82.5 | Confident | 74 Ų | 74 | 50.3 Ų | 50.3 | 40% | 0.396 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -69.4 | 21.6 | 170.2 | 59.5 | -9.5 | 0 | 0 | 0 | 113.8 | C128 R130 | D104-C128 PolarHBondContact N-O 3.12Å; D104-C128 VanDerWaalsContact N-O 3.1Å; D104-R130 WeakPolarHBondContact OD1-CB 3.21Å; D104-R130 PolarHBondContact OD1-N 2.84Å |
| 105 | D | 75.9 | Confident | 81.9 | Confident | 43 Ų | 43 | 44 Ų | 44 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -78.2 | 152.1 | 174.7 | -66.6 | -39.9 | 0 | 0 | 0 | 111.3 | G103 T107 R130 | G103-D105 PolarHBondContact O-N 3.44Å; D105-T107 PolarHBondContact O-N 2.85Å; D105-T107 VanDerWaalsContact O-N 3.09Å; D105-R130 WeakPolarHBondContact OD1-CD 3.42Å; D105-R130 IonicContact OD1-CZ 2.69Å; D105-R130 IonicContact OD1-NE 3.62Å; D105-R130 IonicContact OD1-NH1 3.47Å; D105-R130 PolarHBondContact OD1-NH1 2.72Å; D105-R130 IonicContact OD2-CZ 3.55Å; D105-R130 IonicContact OD2-NH1 3.71Å; D105-R130 PolarHBondContact OD2-NH1 3.1Å |
| 106 | I | 71.7 | Confident | 81.6 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | trans | -67.3 | 111.1 | 173.7 | -63 | 154.3 | 0 | 0 | 0 | 109.6 | L108 W198 V384 | I106-L108 HydrophobicContact CG2-CD1 3.93Å; I106-L108 HydrophobicContact CG2-CG 3.76Å; I106-W198 HydrophobicContact CD1-CH2 4.36Å; I106-W198 HydrophobicContact CD1-CZ2 4.32Å; I106-W198 HydrophobicContact CD1-CZ3 4.48Å; I106-V384 HydrophobicContact CD1-CB 3.8Å; I106-V384 HydrophobicContact CD1-CG1 3.39Å; I106-V384 HydrophobicContact CG1-CG1 3.92Å; I106-V384 HydrophobicContact CG2-CB 4.48Å; I106-V384 HydrophobicContact CG2-CG1 4.12Å; I106-V384 HydrophobicContact CG2-CG2 4.2Å | ||
| 107 | T | 69.3 | Low | 81.4 | Confident | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.153 | 25% | 0.253 | C | S | . | . | trans | -113.1 | 77.4 | -177.8 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | H102 D105 T115 Y116 | H102-T107 WeakPolarHBondContact CE1-CG2 3.33Å; D105-T107 PolarHBondContact O-N 2.85Å; D105-T107 VanDerWaalsContact O-N 3.09Å; T107-T115 PolarHBondContact O-N 3.34Å; T107-T115 PolarHBondContact O-OG1 3.1Å; T107-Y116 HydrophobicContact CG2-CD2 4.35Å; T107-Y116 HydrophobicContact CG2-CE2 3.75Å; T107-Y116 WeakPolarHBondContact OG1-CD2 3.33Å | ||
| 108 | L | 71.1 | Confident | 81.3 | Confident | 51 Ų | 51 | 48.7 Ų | 48.7 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -100.2 | 140.4 | 174 | -57.1 | 175 | 0 | 0 | 0 | 109.9 | I106 K113 K380 V384 | I106-L108 HydrophobicContact CG2-CD1 3.93Å; I106-L108 HydrophobicContact CG2-CG 3.76Å; L108-K113 CarbonylContact C-O 3.57Å; L108-K113 VanDerWaalsContact CA-O 3.31Å; L108-K113 WeakPolarHBondContact CA-O 3.4Å; L108-K380 PolarHBondContact O-NZ 2.89Å; L108-V384 HydrophobicContact CD1-CG2 3.9Å |
| 109 | T | 69.4 | Low | 81.5 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | -60.7 | 174.8 | 165.4 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | D111 G112 K113 K380 | T109-D111 PolarHBondContact O-N 2.95Å; T109-G112 PolarHBondContact O-N 3.47Å; T109-G112 VanDerWaalsContact O-N 3.15Å; T109-K113 PolarHBondContact N-O 3.2Å; T109-K113 PolarHBondContact OG1-N 3.37Å; T109-K113 PolarHBondContact OG1-O 3.21Å; T109-K380 PolarHBondContact O-NZ 3.45Å | ||
| 110 | A | 69 | Low | 81.4 | Confident | 85 Ų | 85 | 48.7 Ų | 48.7 | 70% | 0.702 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -33 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G112 | A110-G112 VanDerWaalsContact C-N 3.29Å; A110-G112 PolarHBondContact O-N 3.2Å |
| 111 | D | 72.6 | Confident | 81.3 | Confident | 142 Ų | 142 | 53.8 Ų | 53.8 | 76% | 0.759 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.4 | 179.9 | -57.7 | -35.3 | 0 | 0 | 0 | 113.7 | T109 K113 | T109-D111 PolarHBondContact O-N 2.95Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 PolarHBondContact O-N 3.02Å |
| 112 | G | 72.2 | Confident | 81.3 | Confident | 44 Ų | 44 | 59 Ų | 59 | 45% | 0.454 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 79.2 | 11.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | T109 A110 | T109-G112 PolarHBondContact O-N 3.47Å; T109-G112 VanDerWaalsContact O-N 3.15Å; A110-G112 VanDerWaalsContact C-N 3.29Å; A110-G112 PolarHBondContact O-N 3.2Å |
| 113 | K | 75.4 | Confident | 81.4 | Confident | 149 Ų | 149 | 65.5 Ų | 65.5 | 65% | 0.648 | 35% | 0.35 | S | S | * | . | trans | -85.8 | 145.2 | 172.2 | -62 | -179.4 | -179.2 | 175.8 | 0 | 110.8 | L108 T109 D111 T115 | L108-K113 CarbonylContact C-O 3.57Å; L108-K113 VanDerWaalsContact CA-O 3.31Å; L108-K113 WeakPolarHBondContact CA-O 3.4Å; T109-K113 PolarHBondContact N-O 3.2Å; T109-K113 PolarHBondContact OG1-N 3.37Å; T109-K113 PolarHBondContact OG1-O 3.21Å; D111-K113 VanDerWaalsContact C-N 3.35Å; D111-K113 PolarHBondContact O-N 3.02Å; K113-T115 PolarHBondContact O-N 2.76Å | ||
| 114 | D | 81.7 | Confident | 81.8 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.214 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -58.5 | 121.6 | 172.2 | -172.1 | -28.2 | 0 | 0 | 0 | 110.1 | Y116 Q117 K120 | D114-Y116 PolarHBondContact O-N 2.79Å; D114-Y116 VanDerWaalsContact O-N 3.16Å; D114-Y116 PolarHBondContact OD1-N 2.86Å; D114-Q117 HydrophobicContact CB-CB 4.22Å; D114-Q117 PolarHBondContact O-N 3.48Å; D114-K120 IonicContact OD1-NZ 2.65Å; D114-K120 IonicContact OD2-NZ 2.73Å; D114-K120 PolarHBondContact OD2-NZ 3.39Å |
| 115 | T | 82.5 | Confident | 82.4 | Confident | 16 Ų | 16 | 65.2 Ų | 65.2 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.5 | -179.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | A86 T107 K113 | A86-T115 HydrophobicContact CB-CG2 3.74Å; T107-T115 PolarHBondContact O-N 3.34Å; T107-T115 PolarHBondContact O-OG1 3.1Å; K113-T115 PolarHBondContact O-N 2.76Å |
| 116 | Y | 87.1 | Confident | 83.2 | Confident | 9 Ų | 9 | 68 Ų | 68 | 4% | 0.035 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.8 | 15.2 | -175.4 | -61.7 | -87.2 | 0 | 0 | 0 | 112.9 | D18 T87 H102 T107 D114 E118 V119 K120 Y125 | D18-Y116 PolarHBondContact OD1-OH 2.93Å; T87-Y116 WeakPolarHBondContact OG1-CE1 3.32Å; H102-Y116 HydrophobicContact CB-CE1 4.35Å; H102-Y116 HydrophobicContact CB-CE2 4.43Å; H102-Y116 AromaticContact CD2-CZ 3.53Å; H102-Y116 PolarHBondContact CD2-OH 3.39Å; H102-Y116 AromaticContact CG-CE2 3.97Å; H102-Y116 AromaticContact CG-CZ 3.73Å; H102-Y116 PolarHBondContact NE2-OH 3.12Å; T107-Y116 HydrophobicContact CG2-CD2 4.35Å; T107-Y116 HydrophobicContact CG2-CE2 3.75Å; T107-Y116 WeakPolarHBondContact OG1-CD2 3.33Å; D114-Y116 PolarHBondContact O-N 2.79Å; D114-Y116 VanDerWaalsContact O-N 3.16Å; D114-Y116 PolarHBondContact OD1-N 2.86Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; Y116-E118 PolarHBondContact O-N 3.05Å; Y116-V119 HydrophobicContact CD1-CG2 3.91Å; Y116-V119 HydrophobicContact CG-CG2 4.31Å; Y116-V119 WeakPolarHBondContact O-CG2 3.38Å; Y116-V119 PolarHBondContact O-N 3.29Å; Y116-K120 WeakPolarHBondContact O-CB 3.38Å; Y116-K120 VanDerWaalsContact O-CG 3.29Å; Y116-K120 WeakPolarHBondContact O-CG 3.42Å; Y116-K120 PolarHBondContact O-N 2.95Å; Y116-Y125 AromaticContact CD1-CD2 3.81Å; Y116-Y125 HydrophobicContact CD1-CD2 3.81Å; Y116-Y125 AromaticContact CD1-CE2 3.6Å; Y116-Y125 HydrophobicContact CD1-CE2 3.6Å; Y116-Y125 AromaticContact CD2-CE2 3.93Å; Y116-Y125 HydrophobicContact CD2-CE2 3.93Å; Y116-Y125 HydrophobicContact CE1-CE2 4.22Å; Y116-Y125 AromaticContact CG-CD2 3.84Å; Y116-Y125 HydrophobicContact CG-CD2 3.84Å; Y116-Y125 AromaticContact CG-CE2 3.42Å; Y116-Y125 HydrophobicContact CG-CE2 3.42Å; Y116-Y125 VanDerWaalsContact CG-CE2 3.42Å |
| 117 | Q | 88.2 | Confident | 84.2 | Confident | 93 Ų | 93 | 71.1 Ų | 71.1 | 44% | 0.435 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54.3 | -48.1 | -176.9 | -171.4 | 63.5 | 60.2 | 0 | 0 | 112 | D114 V119 K120 D121 | D114-Q117 HydrophobicContact CB-CB 4.22Å; D114-Q117 PolarHBondContact O-N 3.48Å; Q117-V119 PolarHBondContact O-N 2.92Å; Q117-K120 WeakPolarHBondContact O-CB 3.48Å; Q117-K120 PolarHBondContact O-N 3.44Å; Q117-D121 PolarHBondContact NE2-OD1 3.16Å; Q117-D121 PolarHBondContact O-N 2.94Å |
| 118 | E | 91.5 | Very high | 85.4 | Confident | 80 Ų | 80 | 70.2 Ų | 70.2 | 37% | 0.374 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.5 | -46.3 | -178 | -171.4 | -164.1 | 142 | 0 | 0 | 112.2 | V89 Y116 D121 H122 | V89-E118 VanDerWaalsContact CB-OE1 3.3Å; V89-E118 WeakPolarHBondContact CB-OE1 3.38Å; V89-E118 HydrophobicContact CG2-CG 4Å; V89-E118 WeakPolarHBondContact CG2-OE1 3.37Å; V89-E118 PolarHBondContact N-OE1 3.09Å; Y116-E118 VanDerWaalsContact C-N 3.32Å; Y116-E118 PolarHBondContact O-N 3.05Å; E118-D121 PolarHBondContact O-N 3.25Å; E118-H122 PolarHBondContact O-N 3.38Å; E118-H122 PolarHBondContact O-ND1 2.97Å |
| 119 | V | 92.8 | Very high | 86.3 | Confident | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.1 | -29.3 | 180 | -66 | 0 | 0 | 0 | 0 | 112.4 | T87 V89 L92 Y116 Q117 H122 Q123 R124 Y125 | T87-V119 HydrophobicContact CG2-CG1 4.23Å; V89-V119 HydrophobicContact CG2-CG1 4.22Å; L92-V119 HydrophobicContact CD1-CB 4.44Å; L92-V119 HydrophobicContact CD1-CG1 3.81Å; L92-V119 HydrophobicContact CG-CG1 4.47Å; Y116-V119 HydrophobicContact CD1-CG2 3.91Å; Y116-V119 HydrophobicContact CG-CG2 4.31Å; Y116-V119 WeakPolarHBondContact O-CG2 3.38Å; Y116-V119 PolarHBondContact O-N 3.29Å; Q117-V119 PolarHBondContact O-N 2.92Å; V119-H122 PolarHBondContact O-N 3.21Å; V119-Q123 PolarHBondContact O-N 2.92Å; V119-R124 PolarHBondContact O-N 3.28Å; V119-Y125 HydrophobicContact CG2-CD2 4.04Å |
| 120 | K | 92.3 | Very high | 87.2 | Confident | 64 Ų | 64 | 77 Ų | 77 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 170.7 | -75.4 | 174.7 | 179.4 | 179.6 | 0 | 111.2 | D114 Y116 Q117 H122 Q123 Y125 | D114-K120 IonicContact OD1-NZ 2.65Å; D114-K120 IonicContact OD2-NZ 2.73Å; D114-K120 PolarHBondContact OD2-NZ 3.39Å; Y116-K120 WeakPolarHBondContact O-CB 3.38Å; Y116-K120 VanDerWaalsContact O-CG 3.29Å; Y116-K120 WeakPolarHBondContact O-CG 3.42Å; Y116-K120 PolarHBondContact O-N 2.95Å; Q117-K120 WeakPolarHBondContact O-CB 3.48Å; Q117-K120 PolarHBondContact O-N 3.44Å; K120-H122 PolarHBondContact O-N 2.92Å; K120-Q123 PolarHBondContact O-N 3.28Å; K120-Y125 HydrophobicContact CD-CD1 4.32Å; K120-Y125 HydrophobicContact CD-CG 4.47Å; K120-Y125 HydrophobicContact CG-CD1 3.83Å; K120-Y125 HydrophobicContact CG-CD2 4.24Å; K120-Y125 HydrophobicContact CG-CG 3.66Å |
| 121 | D | 93 | Very high | 88.1 | Confident | 108 Ų | 108 | 73.9 Ų | 73.9 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.1 | -31.9 | 177.5 | -65.8 | -16.8 | 0 | 0 | 0 | 111.7 | Q117 E118 | Q117-D121 PolarHBondContact NE2-OD1 3.16Å; Q117-D121 PolarHBondContact O-N 2.94Å; E118-D121 PolarHBondContact O-N 3.25Å |
| 122 | H | 93.6 | Very high | 88.7 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.5 | 175.6 | -68.1 | 78.6 | 0 | 0 | 0 | 114.2 | V89 E118 V119 K120 R124 | V89-H122 HydrophobicContact CG2-CB 4Å; E118-H122 PolarHBondContact O-N 3.38Å; E118-H122 PolarHBondContact O-ND1 2.97Å; V119-H122 PolarHBondContact O-N 3.21Å; K120-H122 PolarHBondContact O-N 2.92Å; H122-R124 HydrophobicContact CB-CG 4.41Å; H122-R124 WeakPolarHBondContact O-CG 3.48Å; H122-R124 PolarHBondContact O-N 3.08Å |
| 123 | Q | 92.8 | Very high | 89.2 | Confident | 162 Ų | 162 | 69.7 Ų | 69.7 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 21.4 | -178.1 | -54.4 | -177.8 | -4.5 | 0 | 0 | 115.1 | V119 K120 R126 | V119-Q123 PolarHBondContact O-N 2.92Å; K120-Q123 PolarHBondContact O-N 3.28Å; Q123-R126 PolarHBondContact O-NH1 2.69Å |
| 124 | R | 94.1 | Very high | 89.8 | Confident | 46 Ų | 46 | 63.1 Ų | 63.1 | 17% | 0.174 | 30% | 0.299 | C | S | . | . | trans | -103.4 | 29.1 | -178.2 | -66.7 | 177.2 | 73.3 | 177.9 | 5.7 | 112.5 | L92 D93 C97 D98 F99 C100 V119 H122 | L92-R124 HydrophobicContact CD1-CB 3.84Å; D93-R124 IonicContact OD1-CZ 2.77Å; D93-R124 VanDerWaalsContact OD1-CZ 3.24Å; D93-R124 IonicContact OD1-NH1 3.21Å; D93-R124 PolarHBondContact OD1-NH1 3.19Å; D93-R124 IonicContact OD1-NH2 3.88Å; D93-R124 PolarHBondContact OD1-NH2 3.04Å; D93-R124 IonicContact OD2-NH1 3.45Å; C97-R124 PolarHBondContact O-NH2 2.89Å; D98-R124 VanDerWaalsContact O-CG 3.28Å; D98-R124 WeakPolarHBondContact O-CG 3.48Å; D98-R124 PolarHBondContact O-NE 3.11Å; F99-R124 CarbonylContact C-O 3.43Å; F99-R124 WeakPolarHBondContact CA-O 3.28Å; F99-R124 HydrophobicContact CB-CB 4.3Å; F99-R124 WeakPolarHBondContact CB-O 3.12Å; C100-R124 PolarHBondContact N-O 3.1Å; V119-R124 PolarHBondContact O-N 3.28Å; H122-R124 HydrophobicContact CB-CG 4.41Å; H122-R124 WeakPolarHBondContact O-CG 3.48Å; H122-R124 PolarHBondContact O-N 3.08Å | ||
| 125 | Y | 93.7 | Very high | 90.1 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 9% | 0.094 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.7 | 176.7 | -175.7 | -93.2 | 0 | 0 | 0 | 110.6 | C100 H102 Y116 V119 K120 E127 | C100-Y125 VanDerWaalsContact SG-CD2 3.54Å; H102-Y125 HydrophobicContact CB-CE2 3.89Å; Y116-Y125 AromaticContact CD1-CD2 3.81Å; Y116-Y125 HydrophobicContact CD1-CD2 3.81Å; Y116-Y125 AromaticContact CD1-CE2 3.6Å; Y116-Y125 HydrophobicContact CD1-CE2 3.6Å; Y116-Y125 AromaticContact CD2-CE2 3.93Å; Y116-Y125 HydrophobicContact CD2-CE2 3.93Å; Y116-Y125 HydrophobicContact CE1-CE2 4.22Å; Y116-Y125 AromaticContact CG-CD2 3.84Å; Y116-Y125 HydrophobicContact CG-CD2 3.84Å; Y116-Y125 AromaticContact CG-CE2 3.42Å; Y116-Y125 HydrophobicContact CG-CE2 3.42Å; Y116-Y125 VanDerWaalsContact CG-CE2 3.42Å; V119-Y125 HydrophobicContact CG2-CD2 4.04Å; K120-Y125 HydrophobicContact CD-CD1 4.32Å; K120-Y125 HydrophobicContact CD-CG 4.47Å; K120-Y125 HydrophobicContact CG-CD1 3.83Å; K120-Y125 HydrophobicContact CG-CD2 4.24Å; K120-Y125 HydrophobicContact CG-CG 3.66Å; Y125-E127 HydrophobicContact CD1-CG 4.14Å; Y125-E127 HydrophobicContact CE1-CG 3.33Å; Y125-E127 WeakPolarHBondContact CE1-OE1 3.48Å |
| 126 | R | 93.9 | Very high | 90.3 | Very high | 101 Ų | 101 | 61.8 Ų | 61.8 | 38% | 0.381 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 151.1 | 175.2 | -64.2 | -63.8 | -179.1 | -85.4 | -3.1 | 109.5 | F38 F99 C100 V101 H102 Q123 | F38-R126 HydrophobicContact CD1-CG 4.44Å; F38-R126 HydrophobicContact CE1-CB 4.34Å; F38-R126 HydrophobicContact CE1-CG 4.43Å; F38-R126 HydrophobicContact CZ-CB 4.44Å; F99-R126 HydrophobicContact CB-CG 4.41Å; F99-R126 HydrophobicContact CD2-CB 4.21Å; F99-R126 HydrophobicContact CD2-CG 3.56Å; F99-R126 HydrophobicContact CE2-CG 4.03Å; F99-R126 HydrophobicContact CG-CG 3.97Å; C100-R126 PolarHBondContact O-N 3.5Å; V101-R126 WeakPolarHBondContact CA-O 3.04Å; V101-R126 HydrophobicContact CG2-CB 3.91Å; H102-R126 PolarHBondContact N-O 3.38Å; Q123-R126 PolarHBondContact O-NH1 2.69Å |
| 127 | E | 92.8 | Very high | 90.1 | Very high | 113 Ų | 113 | 61.8 Ų | 61.8 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.2 | -178.5 | -66.9 | -177.3 | 168.7 | 0 | 0 | 111.4 | H102 Y125 | H102-E127 CarbonylContact O-C 3.59Å; H102-E127 WeakPolarHBondContact O-CA 3.44Å; Y125-E127 HydrophobicContact CD1-CG 4.14Å; Y125-E127 HydrophobicContact CE1-CG 3.33Å; Y125-E127 WeakPolarHBondContact CE1-OE1 3.48Å |
| 128 | C | 92.7 | Very high | 90 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 154.8 | 165.7 | 65.9 | 0 | 0 | 0 | 0 | 110.1 | Q31 Q34 V101 H102 G103 D104 | Q31-C128 VanDerWaalsContact CG-SG 3.53Å; Q34-C128 HydrophobicContact CB-CB 3.66Å; Q34-C128 HydrophobicContact CG-CB 4.38Å; V101-C128 HydrophobicContact CG1-CB 3.98Å; H102-C128 PolarHBondContact O-N 3.4Å; H102-C128 PolarHBondContact O-SG 2.6Å; G103-C128 WeakPolarHBondContact CA-O 3.3Å; D104-C128 PolarHBondContact N-O 3.12Å; D104-C128 VanDerWaalsContact N-O 3.1Å |
| 129 | K | 91.6 | Very high | 89.8 | Confident | 158 Ų | 158 | 53.9 Ų | 53.9 | 69% | 0.687 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 134.5 | -177.1 | -64.7 | -177.8 | -179.9 | 179.8 | 0 | 110.8 | Q34 T131 | Q34-K129 PolarHBondContact NE2-O 2.86Å; K129-T131 PolarHBondContact O-N 3.1Å |
| 130 | R | 87.5 | Confident | 89.4 | Confident | 66 Ų | 66 | 53.9 Ų | 53.9 | 25% | 0.249 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 137.8 | 168.8 | -175 | -175.6 | -172.9 | 63.8 | 0.8 | 110.5 | D104 D105 C132 W198 | D104-R130 WeakPolarHBondContact OD1-CB 3.21Å; D104-R130 PolarHBondContact OD1-N 2.84Å; D105-R130 WeakPolarHBondContact OD1-CD 3.42Å; D105-R130 IonicContact OD1-CZ 2.69Å; D105-R130 IonicContact OD1-NE 3.62Å; D105-R130 IonicContact OD1-NH1 3.47Å; D105-R130 PolarHBondContact OD1-NH1 2.72Å; D105-R130 IonicContact OD2-CZ 3.55Å; D105-R130 IonicContact OD2-NH1 3.71Å; D105-R130 PolarHBondContact OD2-NH1 3.1Å; R130-C132 PolarHBondContact O-N 2.8Å; R130-W198 PolarHBondContact NE-O 2.59Å; R130-W198 PolarHBondContact NH2-O 2.99Å |
| 131 | T | 88.4 | Confident | 88.9 | Confident | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.129 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 116.7 | 174.3 | -54.9 | 0 | 0 | 0 | 0 | 109.9 | F26 G27 N30 K129 V134 | F26-T131 HydrophobicContact CD2-CG2 3.99Å; F26-T131 HydrophobicContact CE2-CG2 3.78Å; G27-T131 PolarHBondContact O-OG1 3.25Å; N30-T131 HydrophobicContact CB-CG2 4.46Å; N30-T131 WeakPolarHBondContact CB-OG1 3.49Å; N30-T131 PolarHBondContact ND2-OG1 2.89Å; K129-T131 PolarHBondContact O-N 3.1Å; T131-V134 HydrophobicContact CG2-CG1 4.46Å |
| 132 | C | 84.3 | Confident | 88.5 | Confident | 97 Ų | 97 | 47.6 Ų | 47.6 | 66% | 0.655 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 147.3 | 173.4 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | R130 | R130-C132 PolarHBondContact O-N 2.8Š|
| 133 | G | 83.7 | Confident | 88 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -5.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R142 S202 | G133-R142 PolarHBondContact O-NH2 2.91Å; G133-S202 CarbonylContact C-O 3.56Å; G133-S202 VanDerWaalsContact CA-O 3.24Å; G133-S202 WeakPolarHBondContact CA-O 3.26Å |
| 134 | V | 88.6 | Confident | 87.3 | Confident | 10 Ų | 10 | 35.7 Ų | 35.7 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | trans | -152.8 | 143.6 | -180 | 67.4 | 0 | 0 | 0 | 0 | 112.6 | H25 F26 T131 L139 | H25-V134 HydrophobicContact CB-CG2 4.08Å; F26-V134 HydrophobicContact CD1-CB 4.32Å; F26-V134 HydrophobicContact CD1-CG1 4.05Å; F26-V134 HydrophobicContact CD1-CG2 4.34Å; F26-V134 HydrophobicContact CD2-CG1 4.01Å; F26-V134 HydrophobicContact CE1-CB 3.47Å; F26-V134 VanDerWaalsContact CE1-CB 3.47Å; F26-V134 HydrophobicContact CE1-CG1 3.55Å; F26-V134 HydrophobicContact CE1-CG2 3.76Å; F26-V134 HydrophobicContact CE2-CB 4.17Å; F26-V134 HydrophobicContact CE2-CG1 3.52Å; F26-V134 HydrophobicContact CG-CG1 4.26Å; F26-V134 HydrophobicContact CZ-CB 3.4Å; F26-V134 VanDerWaalsContact CZ-CB 3.4Å; F26-V134 HydrophobicContact CZ-CG1 3.28Å; F26-V134 HydrophobicContact CZ-CG2 4.22Å; T131-V134 HydrophobicContact CG2-CG1 4.46Å; V134-L139 HydrophobicContact CG2-CD1 3.97Å; V134-L139 HydrophobicContact CG2-CD2 4.25Å; V134-L139 HydrophobicContact CG2-CG 4.05Å | ||
| 135 | S | 87.7 | Confident | 86.1 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | trans | -154.2 | 159.7 | 163.5 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | T137 D138 L139 | S135-T137 PolarHBondContact O-N 3.46Å; S135-D138 WeakPolarHBondContact O-CB 3.29Å; S135-D138 PolarHBondContact O-N 2.69Å; S135-D138 VanDerWaalsContact O-N 3.1Å; S135-D138 WeakPolarHBondContact OG-CB 3.5Å; S135-D138 PolarHBondContact OG-N 2.98Å; S135-L139 WeakPolarHBondContact O-CG 3.42Å; S135-L139 PolarHBondContact O-N 3.27Å | ||
| 136 | T | 86.9 | Confident | 84.5 | Confident | 24 Ų | 24 | 38.4 Ų | 38.4 | 15% | 0.147 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.3 | -38.4 | 171.9 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | D22 M23 H25 V140 | D22-T136 PolarHBondContact O-OG1 3.17Å; M23-T136 HydrophobicContact CB-CG2 4Å; M23-T136 HydrophobicContact CG-CG2 4.33Å; H25-T136 PolarHBondContact NE2-N 3.33Å; T136-V140 HydrophobicContact CG2-CG2 4.27Å; T136-V140 WeakPolarHBondContact O-CB 3.47Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.83Å |
| 137 | T | 82.3 | Confident | 82.5 | Confident | 8 Ų | 8 | 34.5 Ų | 34.5 | 5% | 0.049 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | S135 G141 T199 N374 | S135-T137 PolarHBondContact O-N 3.46Å; T137-G141 PolarHBondContact O-N 2.82Å; T137-T199 HydrophobicContact CG2-CG2 4Å; T137-N374 HydrophobicContact CG2-CB 4.06Å |
| 138 | D | 85.1 | Confident | 80.4 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.032 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.3 | -51.3 | 177 | 171.4 | 44.2 | 0 | 0 | 0 | 111.4 | S135 V140 G141 R142 V201 | S135-D138 WeakPolarHBondContact O-CB 3.29Å; S135-D138 PolarHBondContact O-N 2.69Å; S135-D138 VanDerWaalsContact O-N 3.1Å; S135-D138 WeakPolarHBondContact OG-CB 3.5Å; S135-D138 PolarHBondContact OG-N 2.98Å; D138-V140 PolarHBondContact O-N 2.87Å; D138-G141 CarbonylContact O-C 3.57Å; D138-G141 VanDerWaalsContact O-CA 3.28Å; D138-G141 WeakPolarHBondContact O-CA 3.3Å; D138-G141 PolarHBondContact O-N 3.02Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 3.38Å; D138-R142 IonicContact OD1-NE 2.8Å; D138-R142 PolarHBondContact OD1-NE 2.81Å; D138-R142 IonicContact OD2-CZ 3.39Å; D138-R142 IonicContact OD2-NE 3.47Å; D138-R142 PolarHBondContact OD2-NE 3.2Å; D138-R142 VanDerWaalsContact OD2-NE 3.14Å; D138-R142 IonicContact OD2-NH2 2.83Å; D138-R142 PolarHBondContact OD2-NH2 3.47Å; D138-V201 WeakPolarHBondContact OD1-CG1 3.39Å |
| 139 | L | 87.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | 179.9 | -65.2 | 174.6 | 0 | 0 | 0 | 112.8 | H25 V134 S135 G141 R142 M143 L235 M275 | H25-L139 HydrophobicContact CB-CD1 3.85Å; V134-L139 HydrophobicContact CG2-CD1 3.97Å; V134-L139 HydrophobicContact CG2-CD2 4.25Å; V134-L139 HydrophobicContact CG2-CG 4.05Å; S135-L139 WeakPolarHBondContact O-CG 3.42Å; S135-L139 PolarHBondContact O-N 3.27Å; L139-G141 VanDerWaalsContact C-N 3.27Å; L139-G141 PolarHBondContact O-N 3.47Å; L139-R142 PolarHBondContact O-N 3.22Å; L139-M143 HydrophobicContact CB-CE 4.2Å; L139-M143 VanDerWaalsContact O-CE 3.25Å; L139-M143 WeakPolarHBondContact O-CE 3.17Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.1Å; L139-L235 HydrophobicContact CD2-CD2 4.33Å; L139-M275 HydrophobicContact CD1-CE 3.31Å; L139-M275 HydrophobicContact CD2-CE 3.5Å; L139-M275 VanDerWaalsContact CD2-CE 3.5Å; L139-M275 HydrophobicContact CD2-CG 4Å; L139-M275 HydrophobicContact CG-CE 4.04Å |
| 140 | V | 85.4 | Confident | 76.5 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 172.3 | 171 | 0 | 0 | 0 | 0 | 110.3 | T136 D138 M143 L144 I363 | T136-V140 HydrophobicContact CG2-CG2 4.27Å; T136-V140 WeakPolarHBondContact O-CB 3.47Å; T136-V140 WeakPolarHBondContact O-CG2 3.45Å; T136-V140 PolarHBondContact O-N 2.83Å; D138-V140 PolarHBondContact O-N 2.87Å; V140-M143 PolarHBondContact O-N 3.03Å; V140-L144 HydrophobicContact CG1-CD1 3.74Å; V140-L144 HydrophobicContact CG1-CG 4.13Å; V140-L144 WeakPolarHBondContact O-CB 3.19Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.86Å; V140-I363 HydrophobicContact CG1-CG2 4.1Å; V140-I363 HydrophobicContact CG2-CD1 4.17Å |
| 141 | G | 81.2 | Confident | 74.5 | Confident | 23 Ų | 23 | 30.9 Ų | 30.9 | 24% | 0.237 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.6 | -48.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T137 D138 L139 M143 L144 L145 | T137-G141 PolarHBondContact O-N 2.82Å; D138-G141 CarbonylContact O-C 3.57Å; D138-G141 VanDerWaalsContact O-CA 3.28Å; D138-G141 WeakPolarHBondContact O-CA 3.3Å; D138-G141 PolarHBondContact O-N 3.02Å; L139-G141 VanDerWaalsContact C-N 3.27Å; L139-G141 PolarHBondContact O-N 3.47Å; G141-M143 VanDerWaalsContact C-N 3.3Å; G141-M143 PolarHBondContact O-N 3.05Å; G141-L144 PolarHBondContact O-N 3.28Å; G141-L145 VanDerWaalsContact O-CB 3.31Å; G141-L145 WeakPolarHBondContact O-CB 3.45Å; G141-L145 VanDerWaalsContact O-CG 3.23Å; G141-L145 WeakPolarHBondContact O-CG 3.23Å; G141-L145 PolarHBondContact O-N 2.8Å |
| 142 | R | 83.7 | Confident | 72.3 | Confident | 17 Ų | 17 | 33.2 Ų | 33.2 | 6% | 0.064 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 176.7 | -61.5 | -178.1 | -162.1 | -172.8 | 6.6 | 111.6 | G133 D138 L139 L146 H150 I274 E279 | G133-R142 PolarHBondContact O-NH2 2.91Å; D138-R142 WeakPolarHBondContact O-CG 3.34Å; D138-R142 PolarHBondContact O-N 3.38Å; D138-R142 IonicContact OD1-NE 2.8Å; D138-R142 PolarHBondContact OD1-NE 2.81Å; D138-R142 IonicContact OD2-CZ 3.39Å; D138-R142 IonicContact OD2-NE 3.47Å; D138-R142 PolarHBondContact OD2-NE 3.2Å; D138-R142 VanDerWaalsContact OD2-NE 3.14Å; D138-R142 IonicContact OD2-NH2 2.83Å; D138-R142 PolarHBondContact OD2-NH2 3.47Å; L139-R142 PolarHBondContact O-N 3.22Å; R142-L146 PolarHBondContact O-N 3.44Å; R142-H150 HydrophobicContact CG-CB 4.37Å; R142-I274 HydrophobicContact CB-CG2 3.82Å; R142-I274 WeakPolarHBondContact CD-O 3.16Å; R142-I274 PolarHBondContact NH1-O 3.31Å; R142-I274 VanDerWaalsContact NH1-O 3.15Å; R142-E279 IonicContact CZ-OE1 3.9Å; R142-E279 VanDerWaalsContact CZ-OE1 3.29Å; R142-E279 IonicContact CZ-OE2 2.92Å; R142-E279 VanDerWaalsContact NH1-CD 3.33Å; R142-E279 IonicContact NH1-OE1 3.53Å; R142-E279 PolarHBondContact NH1-OE1 3.42Å; R142-E279 IonicContact NH1-OE2 3.42Å; R142-E279 PolarHBondContact NH1-OE2 3.17Å; R142-E279 IonicContact NH2-OE1 2.91Å; R142-E279 PolarHBondContact NH2-OE1 2.93Å |
| 143 | M | 84 | Confident | 70.3 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.5 | -37.4 | 178 | -70.1 | -177.7 | -90.4 | 0 | 0 | 113.3 | M23 L139 V140 G141 L146 L235 I274 I359 I360 I363 | M23-M143 HydrophobicContact CE-CE 3.56Å; M23-M143 HydrophobicContact SD-CE 4.32Å; L139-M143 HydrophobicContact CB-CE 4.2Å; L139-M143 VanDerWaalsContact O-CE 3.25Å; L139-M143 WeakPolarHBondContact O-CE 3.17Å; L139-M143 WeakPolarHBondContact O-CG 3.47Å; L139-M143 PolarHBondContact O-N 3.1Å; V140-M143 PolarHBondContact O-N 3.03Å; G141-M143 VanDerWaalsContact C-N 3.3Å; G141-M143 PolarHBondContact O-N 3.05Å; M143-L146 WeakPolarHBondContact O-CD2 3.34Å; M143-L146 WeakPolarHBondContact O-CG 3.46Å; M143-L235 HydrophobicContact CE-CD1 3.96Å; M143-L235 HydrophobicContact CE-CD2 4.46Å; M143-L235 HydrophobicContact CG-CD1 4.25Å; M143-L235 HydrophobicContact SD-CD1 3.39Å; M143-L235 WeakPolarHBondContact SD-CD1 3.5Å; M143-I274 HydrophobicContact CG-CD1 4.26Å; M143-I274 HydrophobicContact CG-CG1 4.22Å; M143-I274 HydrophobicContact CG-CG2 4.05Å; M143-I359 HydrophobicContact SD-CG2 4.23Å; M143-I360 HydrophobicContact CG-CG1 3.98Å; M143-I360 HydrophobicContact SD-CG1 3.81Å; M143-I363 HydrophobicContact CE-CD1 3.19Å; M143-I363 HydrophobicContact SD-CD1 3.38Å; M143-I363 WeakPolarHBondContact SD-CD1 3.27Å |
| 144 | L | 78.4 | Confident | 68.1 | Low | 20 Ų | 20 | 42.8 Ų | 42.8 | 11% | 0.105 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.5 | -34 | 179.5 | -73.5 | 178.6 | 0 | 0 | 0 | 113.3 | V140 G141 L146 I363 R367 E371 | V140-L144 HydrophobicContact CG1-CD1 3.74Å; V140-L144 HydrophobicContact CG1-CG 4.13Å; V140-L144 WeakPolarHBondContact O-CB 3.19Å; V140-L144 VanDerWaalsContact O-CG 3.27Å; V140-L144 WeakPolarHBondContact O-CG 3.38Å; V140-L144 PolarHBondContact O-N 2.86Å; G141-L144 PolarHBondContact O-N 3.28Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L144-I363 HydrophobicContact CD2-CG2 3.86Å; L144-I363 HydrophobicContact CG-CG2 4.08Å; L144-R367 HydrophobicContact CD2-CB 4.08Å; L144-R367 HydrophobicContact CD2-CG 3.73Å; L144-E371 HydrophobicContact CD1-CG 3.97Å |
| 145 | L | 67.8 | Low | 65.6 | Low | 96 Ų | 96 | 51.4 Ų | 51.4 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.9 | -27.2 | -179.6 | -73.6 | 171.7 | 0 | 0 | 0 | 111.9 | G141 T147 | G141-L145 VanDerWaalsContact O-CB 3.31Å; G141-L145 WeakPolarHBondContact O-CB 3.45Å; G141-L145 VanDerWaalsContact O-CG 3.23Å; G141-L145 WeakPolarHBondContact O-CG 3.23Å; G141-L145 PolarHBondContact O-N 2.8Å; L145-T147 HydrophobicContact CB-CG2 4.34Å; L145-T147 VanDerWaalsContact O-CG2 3.24Å; L145-T147 WeakPolarHBondContact O-CG2 3.23Å; L145-T147 PolarHBondContact O-N 3.34Å; L145-T147 VanDerWaalsContact O-N 3.08Å |
| 146 | L | 61.9 | Low | 63.2 | Low | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 43.4 | 44.3 | -175 | -67.8 | 167.6 | 0 | 0 | 0 | 111.2 | R142 M143 L144 I171 N271 | R142-L146 PolarHBondContact O-N 3.44Å; M143-L146 WeakPolarHBondContact O-CD2 3.34Å; M143-L146 WeakPolarHBondContact O-CG 3.46Å; L144-L146 VanDerWaalsContact C-N 3.29Å; L146-I171 HydrophobicContact CD1-CD1 3.07Å; L146-I171 HydrophobicContact CD1-CG1 4.49Å; L146-I171 HydrophobicContact CG-CD1 4.45Å; L146-N271 WeakPolarHBondContact CA-ND2 3.35Å; L146-N271 WeakPolarHBondContact CB-ND2 3.37Å; L146-N271 VanDerWaalsContact O-CG 3.25Å; L146-N271 PolarHBondContact O-ND2 3.01Å; L146-N271 PolarHBondContact O-OD1 3.06Å; L146-N271 VanDerWaalsContact O-OD1 3.14Å |
| 147 | T | 51.8 | Low | 61.1 | Low | 18 Ų | 18 | 61.1 Ų | 61.1 | 11% | 0.11 | 31% | 0.308 | C | S | . | . | trans | -117.1 | 152.3 | 177 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | L145 N149 H150 A164 N271 | L145-T147 HydrophobicContact CB-CG2 4.34Å; L145-T147 VanDerWaalsContact O-CG2 3.24Å; L145-T147 WeakPolarHBondContact O-CG2 3.23Å; L145-T147 PolarHBondContact O-N 3.34Å; L145-T147 VanDerWaalsContact O-N 3.08Å; T147-N149 PolarHBondContact O-N 3.08Å; T147-H150 PolarHBondContact O-ND1 3.02Å; T147-A164 HydrophobicContact CG2-CB 3.4Å; T147-N271 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 148 | K | 48.7 | Very low | 59 | Low | 110 Ų | 110 | 68.9 Ų | 68.9 | 48% | 0.478 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -82.8 | 1 | -180 | -59.3 | -171.4 | 177.5 | -159.3 | 0 | 113.5 | H150 H151 S270 N271 | K148-H150 VanDerWaalsContact C-N 3.27Å; K148-H150 PolarHBondContact O-N 3.31Å; K148-H151 PolarHBondContact O-N 3.02Å; K148-S270 WeakPolarHBondContact CE-O 3.45Å; K148-N271 WeakPolarHBondContact CG-OD1 3.48Å; K148-N271 PolarHBondContact N-OD1 3.2Å |
| 149 | N | 45.9 | Very low | 56.8 | Low | 51 Ų | 51 | 75.1 Ų | 75.1 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -12.6 | -160.9 | -64.2 | 2.4 | 0 | 0 | 0 | 113.8 | T147 H151 H160 | T147-N149 PolarHBondContact O-N 3.08Å; N149-H151 PolarHBondContact O-N 2.95Å; N149-H160 VanDerWaalsContact ND2-CB 3.27Å; N149-H160 WeakPolarHBondContact ND2-CB 3.35Å |
| 150 | H | 55.9 | Low | 54.6 | Low | 38 Ų | 38 | 78.2 Ų | 78.2 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -15.7 | 177.2 | 57.6 | -74 | 0 | 0 | 0 | 113.1 | R142 T147 K148 P273 I274 | R142-H150 HydrophobicContact CG-CB 4.37Å; T147-H150 PolarHBondContact O-ND1 3.02Å; K148-H150 VanDerWaalsContact C-N 3.27Å; K148-H150 PolarHBondContact O-N 3.31Å; H150-P273 PolarHBondContact NE2-O 3.17Å; H150-P273 VanDerWaalsContact NE2-O 3.14Å; H150-I274 PolarHBondContact CD2-O 3.01Å; H150-I274 PolarHBondContact NE2-O 3.37Å |
| 151 | H | 45.3 | Very low | 52.6 | Low | 70 Ų | 70 | 80.9 Ų | 80.9 | 32% | 0.324 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -98.3 | -14.6 | 179.9 | -64.5 | -53.2 | 0 | 0 | 0 | 115.2 | K148 N149 P273 | K148-H151 PolarHBondContact O-N 3.02Å; N149-H151 PolarHBondContact O-N 2.95Å; H151-P273 PolarHBondContact CE1-O 2.9Å; H151-P273 PolarHBondContact NE2-O 3.13Å |
| 152 | T | 43.3 | Very low | 50.7 | Low | 69 Ų | 69 | 85.3 Ų | 85.3 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | trans | -106.3 | 136 | -169.4 | 53 | 0 | 0 | 0 | 0 | 112.7 | R203 | T152-R203 PolarHBondContact O-NH2 2.84Š| ||
| 153 | Q | 41.9 | Very low | 48.7 | Very low | 168 Ų | 168 | 92.6 Ų | 92.6 | 79% | 0.785 | 45% | 0.445 | S | S | * | . | trans | -77.3 | -13 | 177.2 | -76.8 | -174.8 | -12.7 | 0 | 0 | 114 | ||||
| 154 | D | 36.3 | Very low | 46.7 | Very low | 132 Ų | 132 | 93.3 Ų | 93.3 | 71% | 0.706 | 45% | 0.452 | S | S | * | . | trans | -94.8 | 151.6 | -160.3 | -65.4 | -35.1 | 0 | 0 | 0 | 118.2 | H156 | D154-H156 VanDerWaalsContact C-N 3.32Å; D154-H156 PolarHBondContact O-N 2.97Å | ||
| 155 | E | 36.7 | Very low | 45.1 | Very low | 191 Ų | 191 | 96.5 Ų | 96.5 | 89% | 0.893 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -70.2 | 16.5 | -161.3 | -59.8 | 179.5 | 145.8 | 0 | 0 | 117.9 | I157 | E155-I157 PolarHBondContact O-N 3.46Š|
| 156 | H | 38.3 | Very low | 44.2 | Very low | 109 Ų | 109 | 95 Ų | 95 | 51% | 0.505 | 46% | 0.46 | S | S | . | . | trans | -96.6 | 39.2 | -174.8 | -78.3 | -73 | 0 | 0 | 0 | 115.2 | D154 E158 Q159 H160 | D154-H156 VanDerWaalsContact C-N 3.32Å; D154-H156 PolarHBondContact O-N 2.97Å; H156-E158 VanDerWaalsContact C-N 3.26Å; H156-E158 PolarHBondContact O-N 3.49Å; H156-E158 VanDerWaalsContact O-N 3.16Å; H156-Q159 PolarHBondContact O-N 3.28Å; H156-H160 PolarHBondContact O-CD2 3.09Å; H156-H160 PolarHBondContact O-N 3.06Å | ||
| 157 | I | 42.3 | Very low | 43.5 | Very low | 124 Ų | 124 | 97 Ų | 97 | 64% | 0.636 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -52.7 | -42 | -176.4 | -63.6 | 173.5 | 0 | 0 | 0 | 112 | E155 H160 V161 | E155-I157 PolarHBondContact O-N 3.46Å; I157-H160 PolarHBondContact O-N 3.15Å; I157-V161 HydrophobicContact CG2-CG2 4.18Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.47Å; I157-V161 PolarHBondContact O-N 3.15Å |
| 158 | E | 37.5 | Very low | 43.3 | Very low | 171 Ų | 171 | 98.1 Ų | 98.1 | 80% | 0.799 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.2 | -43.5 | -174.8 | -68.1 | -174.1 | 162.1 | 0 | 0 | 114.1 | H156 H160 V161 E162 | H156-E158 VanDerWaalsContact C-N 3.26Å; H156-E158 PolarHBondContact O-N 3.49Å; H156-E158 VanDerWaalsContact O-N 3.16Å; E158-H160 PolarHBondContact O-N 2.8Å; E158-V161 PolarHBondContact O-N 2.73Å; E158-E162 PolarHBondContact O-N 3.16Å |
| 159 | Q | 39.6 | Very low | 43.5 | Very low | 136 Ų | 136 | 95.9 Ų | 95.9 | 64% | 0.636 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -67.6 | -29.1 | -179.1 | -71.2 | -178.3 | -5.6 | 0 | 0 | 112 | H156 | H156-Q159 PolarHBondContact O-N 3.28Å |
| 160 | H | 41.9 | Very low | 43.7 | Very low | 67 Ų | 67 | 95.9 Ų | 95.9 | 31% | 0.31 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -84.6 | -28 | 178.2 | -69.5 | -69.9 | 0 | 0 | 0 | 113.5 | N149 H156 I157 E158 E162 R163 A164 | N149-H160 VanDerWaalsContact ND2-CB 3.27Å; N149-H160 WeakPolarHBondContact ND2-CB 3.35Å; H156-H160 PolarHBondContact O-CD2 3.09Å; H156-H160 PolarHBondContact O-N 3.06Å; I157-H160 PolarHBondContact O-N 3.15Å; E158-H160 PolarHBondContact O-N 2.8Å; H160-E162 VanDerWaalsContact C-N 3.25Å; H160-E162 PolarHBondContact O-N 2.89Å; H160-R163 PolarHBondContact O-N 3.42Å; H160-A164 WeakPolarHBondContact O-CB 3.42Å; H160-A164 PolarHBondContact O-N 3.46Å |
| 161 | V | 42.7 | Very low | 43.4 | Very low | 56 Ų | 56 | 95.7 Ų | 95.7 | 34% | 0.339 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -39.2 | 170.8 | 167.2 | 0 | 0 | 0 | 0 | 110.8 | I157 E158 A164 R165 | I157-V161 HydrophobicContact CG2-CG2 4.18Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.47Å; I157-V161 PolarHBondContact O-N 3.15Å; E158-V161 PolarHBondContact O-N 2.73Å; V161-A164 PolarHBondContact O-N 3.34Å; V161-R165 WeakPolarHBondContact O-CB 3.48Å; V161-R165 VanDerWaalsContact O-CG 3.31Å; V161-R165 WeakPolarHBondContact O-CG 3.4Å; V161-R165 PolarHBondContact O-N 2.92Å |
| 162 | E | 41.5 | Very low | 43.6 | Very low | 116 Ų | 116 | 94.2 Ų | 94.2 | 54% | 0.542 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.7 | -34.9 | 178.3 | -153.2 | 63.8 | -165.2 | 0 | 0 | 112.2 | E158 H160 R165 S166 | E158-E162 PolarHBondContact O-N 3.16Å; H160-E162 VanDerWaalsContact C-N 3.25Å; H160-E162 PolarHBondContact O-N 2.89Å; E162-R165 WeakPolarHBondContact O-CB 3.28Å; E162-R165 PolarHBondContact O-N 3.49Å; E162-R165 IonicContact OE2-CZ 3.98Å; E162-R165 IonicContact OE2-NH1 2.94Å; E162-R165 PolarHBondContact OE2-NH1 3.16Å; E162-S166 PolarHBondContact O-N 3.44Å |
| 163 | R | 41 | Very low | 44 | Very low | 169 Ų | 169 | 96.2 Ų | 96.2 | 64% | 0.638 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -73.1 | -38.1 | 174.2 | -132.6 | 177.3 | -170.5 | 163 | 1.8 | 112.6 | H160 R165 S166 L167 | H160-R163 PolarHBondContact O-N 3.42Å; R163-R165 VanDerWaalsContact C-N 3.31Å; R163-S166 WeakPolarHBondContact CA-OG 3.36Å; R163-S166 PolarHBondContact O-N 3.18Å; R163-S166 PolarHBondContact O-OG 2.92Å; R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 PolarHBondContact O-N 2.94Å |
| 164 | A | 42.3 | Very low | 44.4 | Very low | 17 Ų | 17 | 95.6 Ų | 95.6 | 14% | 0.14 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T147 H160 V161 S168 | T147-A164 HydrophobicContact CG2-CB 3.4Å; H160-A164 WeakPolarHBondContact O-CB 3.42Å; H160-A164 PolarHBondContact O-N 3.46Å; V161-A164 PolarHBondContact O-N 3.34Å; A164-S168 WeakPolarHBondContact O-CB 3.31Å; A164-S168 PolarHBondContact O-N 2.88Å; A164-S168 PolarHBondContact O-OG 2.91Å |
| 165 | R | 45.4 | Very low | 44.9 | Very low | 87 Ų | 87 | 91.5 Ų | 91.5 | 33% | 0.328 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 172.6 | -79.7 | 173.7 | 178 | 163 | -1.8 | 111.2 | V161 E162 R163 S168 T169 I189 | V161-R165 WeakPolarHBondContact O-CB 3.48Å; V161-R165 VanDerWaalsContact O-CG 3.31Å; V161-R165 WeakPolarHBondContact O-CG 3.4Å; V161-R165 PolarHBondContact O-N 2.92Å; E162-R165 WeakPolarHBondContact O-CB 3.28Å; E162-R165 PolarHBondContact O-N 3.49Å; E162-R165 IonicContact OE2-CZ 3.98Å; E162-R165 IonicContact OE2-NH1 2.94Å; E162-R165 PolarHBondContact OE2-NH1 3.16Å; R163-R165 VanDerWaalsContact C-N 3.31Å; R165-S168 PolarHBondContact O-N 3.13Å; R165-S168 PolarHBondContact O-OG 3.14Å; R165-T169 WeakPolarHBondContact O-CB 3.11Å; R165-T169 PolarHBondContact O-N 2.69Å; R165-T169 PolarHBondContact O-OG1 2.92Å; R165-I189 HydrophobicContact CG-CD1 4.19Å |
| 166 | S | 48.1 | Very low | 45.5 | Very low | 64 Ų | 64 | 88.1 Ų | 88.1 | 45% | 0.448 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | -179.3 | 72.8 | 0 | 0 | 0 | 0 | 113 | E162 R163 T169 A170 | E162-S166 PolarHBondContact O-N 3.44Å; R163-S166 WeakPolarHBondContact CA-OG 3.36Å; R163-S166 PolarHBondContact O-N 3.18Å; R163-S166 PolarHBondContact O-OG 2.92Å; S166-T169 WeakPolarHBondContact O-CB 3.41Å; S166-T169 PolarHBondContact O-N 2.73Å; S166-A170 PolarHBondContact O-N 3.23Å |
| 167 | L | 46.5 | Very low | 46 | Very low | 75 Ų | 75 | 93.9 Ų | 93.9 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 171.7 | -87.6 | 151.2 | 0 | 0 | 0 | 111.9 | R163 T169 A170 I171 | R163-L167 WeakPolarHBondContact O-CB 3.49Å; R163-L167 PolarHBondContact O-N 2.94Å; L167-T169 PolarHBondContact O-N 3.28Å; L167-A170 PolarHBondContact O-N 3.32Å; L167-I171 WeakPolarHBondContact O-CB 3.28Å; L167-I171 VanDerWaalsContact O-CG1 3.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.32Å; L167-I171 PolarHBondContact O-N 3.03Å |
| 168 | S | 49.4 | Very low | 46.2 | Very low | 41 Ų | 41 | 94.5 Ų | 94.5 | 29% | 0.287 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 173.4 | 87.7 | 0 | 0 | 0 | 0 | 110.9 | A164 R165 L172 | A164-S168 WeakPolarHBondContact O-CB 3.31Å; A164-S168 PolarHBondContact O-N 2.88Å; A164-S168 PolarHBondContact O-OG 2.91Å; R165-S168 PolarHBondContact O-N 3.13Å; R165-S168 PolarHBondContact O-OG 3.14Å; S168-L172 WeakPolarHBondContact O-CB 3.43Å; S168-L172 PolarHBondContact O-N 3.5Å |
| 169 | T | 52 | Low | 46.2 | Very low | 63 Ų | 63 | 94 Ų | 94 | 39% | 0.387 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 177.4 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | R165 S166 L167 I171 L172 E173 | R165-T169 WeakPolarHBondContact O-CB 3.11Å; R165-T169 PolarHBondContact O-N 2.69Å; R165-T169 PolarHBondContact O-OG1 2.92Å; S166-T169 WeakPolarHBondContact O-CB 3.41Å; S166-T169 PolarHBondContact O-N 2.73Å; L167-T169 PolarHBondContact O-N 3.28Å; T169-I171 PolarHBondContact O-N 3.32Å; T169-L172 CarbonylContact O-C 3.51Å; T169-L172 PolarHBondContact O-N 3.42Å; T169-E173 WeakPolarHBondContact O-CB 3.2Å; T169-E173 VanDerWaalsContact O-CG 3.27Å; T169-E173 WeakPolarHBondContact O-CG 3.46Å; T169-E173 PolarHBondContact O-N 2.79Å |
| 170 | A | 50.9 | Low | 45.8 | Very low | 51 Ų | 51 | 93 Ų | 93 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | S166 L167 E173 Y174 | S166-A170 PolarHBondContact O-N 3.23Å; L167-A170 PolarHBondContact O-N 3.32Å; A170-E173 WeakPolarHBondContact O-CB 3.37Å; A170-E173 PolarHBondContact O-N 2.96Å; A170-Y174 WeakPolarHBondContact O-CB 3.37Å; A170-Y174 PolarHBondContact O-N 3.3Å |
| 171 | I | 49.7 | Very low | 45.7 | Very low | 33 Ų | 33 | 99.5 Ų | 99.5 | 17% | 0.169 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -74.8 | -35.8 | 176.7 | -67.4 | 166.8 | 0 | 0 | 0 | 111.1 | L146 L167 T169 E173 Y174 S175 | L146-I171 HydrophobicContact CD1-CD1 3.07Å; L146-I171 HydrophobicContact CD1-CG1 4.49Å; L146-I171 HydrophobicContact CG-CD1 4.45Å; L167-I171 WeakPolarHBondContact O-CB 3.28Å; L167-I171 VanDerWaalsContact O-CG1 3.3Å; L167-I171 WeakPolarHBondContact O-CG1 3.32Å; L167-I171 PolarHBondContact O-N 3.03Å; T169-I171 PolarHBondContact O-N 3.32Å; I171-E173 VanDerWaalsContact C-N 3.3Å; I171-Y174 PolarHBondContact O-N 3.19Å; I171-S175 VanDerWaalsContact O-CB 3.29Å; I171-S175 WeakPolarHBondContact O-CB 3.25Å; I171-S175 PolarHBondContact O-N 2.73Å; I171-S175 PolarHBondContact O-OG 3.21Å |
| 172 | L | 48.4 | Very low | 45.5 | Very low | 39 Ų | 39 | 106.3 Ų | 106.3 | 20% | 0.204 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 171.6 | -165.7 | 80.9 | 0 | 0 | 0 | 110.3 | S168 T169 K176 L185 | S168-L172 WeakPolarHBondContact O-CB 3.43Å; S168-L172 PolarHBondContact O-N 3.5Å; T169-L172 CarbonylContact O-C 3.51Å; T169-L172 PolarHBondContact O-N 3.42Å; L172-K176 HydrophobicContact CG-CD 4.32Å; L172-K176 WeakPolarHBondContact O-CB 3.43Å; L172-K176 WeakPolarHBondContact O-CD 3.3Å; L172-K176 WeakPolarHBondContact O-CG 3.33Å; L172-K176 PolarHBondContact O-N 3Å; L172-L185 HydrophobicContact CD1-CD2 4.07Å |
| 173 | E | 51.5 | Low | 45 | Very low | 112 Ų | 112 | 112.7 Ų | 112.7 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.5 | -41.1 | 172.2 | -80.3 | 176.5 | -179.6 | 0 | 0 | 112.1 | T169 A170 I171 K176 R177 | T169-E173 WeakPolarHBondContact O-CB 3.2Å; T169-E173 VanDerWaalsContact O-CG 3.27Å; T169-E173 WeakPolarHBondContact O-CG 3.46Å; T169-E173 PolarHBondContact O-N 2.79Å; A170-E173 WeakPolarHBondContact O-CB 3.37Å; A170-E173 PolarHBondContact O-N 2.96Å; I171-E173 VanDerWaalsContact C-N 3.3Å; E173-K176 PolarHBondContact O-N 3.47Å; E173-R177 WeakPolarHBondContact O-CB 3.15Å; E173-R177 WeakPolarHBondContact O-CG 3.26Å; E173-R177 PolarHBondContact O-N 3.49Å |
| 174 | Y | 50.6 | Low | 44.7 | Very low | 155 Ų | 155 | 116.2 Ų | 116.2 | 61% | 0.608 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 172.3 | -174.8 | -96.3 | 0 | 0 | 0 | 111.5 | A170 I171 R177 M178 | A170-Y174 WeakPolarHBondContact O-CB 3.37Å; A170-Y174 PolarHBondContact O-N 3.3Å; I171-Y174 PolarHBondContact O-N 3.19Å; Y174-R177 WeakPolarHBondContact O-CB 3.42Å; Y174-R177 PolarHBondContact O-N 3.25Å; Y174-M178 PolarHBondContact O-N 2.92Å; Y174-M178 VanDerWaalsContact O-N 3.17Å |
| 175 | S | 47.7 | Very low | 44.4 | Very low | 46 Ų | 46 | 119.9 Ų | 119.9 | 32% | 0.322 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68 | -36.3 | 176.7 | -55 | 0 | 0 | 0 | 0 | 112.1 | I171 R177 M178 Q179 | I171-S175 VanDerWaalsContact O-CB 3.29Å; I171-S175 WeakPolarHBondContact O-CB 3.25Å; I171-S175 PolarHBondContact O-N 2.73Å; I171-S175 PolarHBondContact O-OG 3.21Å; S175-R177 VanDerWaalsContact C-N 3.33Å; S175-M178 PolarHBondContact O-N 3.37Å; S175-Q179 PolarHBondContact O-N 2.95Å |
| 176 | K | 48.2 | Very low | 43.7 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 52% | 0.522 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.1 | -30.6 | 172.2 | -80.2 | 166.2 | -179.4 | 170.3 | 0 | 112.5 | L172 E173 M178 | L172-K176 HydrophobicContact CG-CD 4.32Å; L172-K176 WeakPolarHBondContact O-CB 3.43Å; L172-K176 WeakPolarHBondContact O-CD 3.3Å; L172-K176 WeakPolarHBondContact O-CG 3.33Å; L172-K176 PolarHBondContact O-N 3Å; E173-K176 PolarHBondContact O-N 3.47Å; K176-M178 VanDerWaalsContact C-N 3.31Å |
| 177 | R | 48 | Very low | 42.9 | Very low | 229 Ų | 229 | 131.3 Ų | 131.3 | 86% | 0.864 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.3 | -28.5 | 172.1 | -84.9 | -179.2 | 171.2 | -172.3 | -1.4 | 112.1 | E173 Y174 S175 | E173-R177 WeakPolarHBondContact O-CB 3.15Å; E173-R177 WeakPolarHBondContact O-CG 3.26Å; E173-R177 PolarHBondContact O-N 3.49Å; Y174-R177 WeakPolarHBondContact O-CB 3.42Å; Y174-R177 PolarHBondContact O-N 3.25Å; S175-R177 VanDerWaalsContact C-N 3.33Å |
| 178 | M | 46.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 68% | 0.675 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.3 | -23.7 | 177.5 | -77.8 | -72.8 | -172.8 | 0 | 0 | 114 | Y174 S175 K176 | Y174-M178 PolarHBondContact O-N 2.92Å; Y174-M178 VanDerWaalsContact O-N 3.17Å; S175-M178 PolarHBondContact O-N 3.37Å; K176-M178 VanDerWaalsContact C-N 3.31Å |
| 179 | Q | 38.7 | Very low | 41.4 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -143.4 | 116.2 | 179.9 | -73 | -177.7 | -14.4 | 0 | 0 | 113.8 | S175 K181 | S175-Q179 PolarHBondContact O-N 2.95Å; Q179-K181 PolarHBondContact O-N 3.18Å | ||
| 180 | S | 31.1 | Very low | 40.2 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -78 | 91.7 | 171.4 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 181 | K | 40 | Very low | 39.1 | Very low | 202 Ų | 202 | 142 Ų | 142 | 88% | 0.878 | 66% | 0.663 | S | S | * | * | trans | -173.8 | 126.1 | 148.3 | -107.9 | 161 | -175.4 | 175.3 | 0 | 114.2 | Q179 | Q179-K181 PolarHBondContact O-N 3.18Š| ||
| 182 | K | 37.7 | Very low | 38.1 | Very low | 200 Ų | 200 | 149.2 Ų | 149.2 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | 81.9 | 94.1 | 148.1 | -111 | 175.4 | -179.7 | 177.4 | 0 | 121.6 | R184 | K182-R184 PolarHBondContact O-N 3.14Š| ||
| 183 | R | 30.6 | Very low | 37.6 | Very low | 249 Ų | 249 | 152.2 Ų | 152.2 | 94% | 0.94 | 72% | 0.721 | S | S | * | * | trans | -16.4 | 110.5 | 133.1 | -68 | 169.9 | 153.6 | 170.2 | -7.2 | 115.7 | ||||
| 184 | R | 36.2 | Very low | 37 | Very low | 244 Ų | 244 | 148.5 Ų | 148.5 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | trans | 179.4 | 33.5 | 138.1 | -136 | 175.8 | 177.8 | -176.8 | -1.9 | 116.3 | K182 | K182-R184 PolarHBondContact O-N 3.14Š| ||
| 185 | L | 36.3 | Very low | 36.9 | Very low | 93 Ų | 93 | 147.5 Ų | 147.5 | 49% | 0.487 | 71% | 0.712 | S | S | . | * | trans | -108.4 | 8.3 | -164.7 | -149.9 | 67.4 | 0 | 0 | 0 | 117.7 | L172 | L172-L185 HydrophobicContact CD1-CD2 4.07Š| ||
| 186 | N | 30.2 | Very low | 36.8 | Very low | 156 Ų | 156 | 145.4 Ų | 145.4 | 83% | 0.834 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -103.1 | 32.9 | -172.1 | -73.1 | 8.7 | 0 | 0 | 0 | 115.5 | ||
| 187 | R | 31.3 | Very low | 37.1 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -133.3 | 20.6 | -176.4 | -145.9 | -173.7 | -82.5 | -172.1 | -6.5 | 116.1 | ||
| 188 | L | 33.2 | Very low | 37.2 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 62% | 0.623 | 66% | 0.659 | S | S | * | * | trans | -127 | 25.7 | -166.4 | -76.7 | 165.2 | 0 | 0 | 0 | 115.7 | ||||
| 189 | I | 31.3 | Very low | 37.6 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -111.6 | 24.9 | 179.6 | -37.8 | 179.5 | 0 | 0 | 0 | 112.4 | R165 | R165-I189 HydrophobicContact CG-CD1 4.19Š|
| 190 | A | 26.5 | Very low | 38.3 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 72% | 0.719 | 62% | 0.622 | S | S | * | * | trans | -150.6 | 70.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 191 | D | 27.6 | Very low | 39.3 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 70% | 0.695 | 61% | 0.608 | S | S | * | * | trans | -144.6 | 118.4 | 160 | -80.5 | -41.9 | 0 | 0 | 0 | 108.1 | V193 | D191-V193 HydrophobicContact CB-CG2 3.79Å; D191-V193 PolarHBondContact O-N 3.27Å | ||
| 192 | N | 29.3 | Very low | 39.9 | Very low | 184 Ų | 184 | 118.4 Ų | 118.4 | 98% | 0.984 | 58% | 0.579 | S | S | * | * | trans | -67.9 | 69.5 | 170.9 | -76.4 | -34.2 | 0 | 0 | 0 | 109.7 | ||||
| 193 | V | 37.7 | Very low | 41.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 61% | 0.612 | 57% | 0.565 | S | S | * | * | trans | -81.7 | 126.9 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | D191 M195 | D191-V193 HydrophobicContact CB-CG2 3.79Å; D191-V193 PolarHBondContact O-N 3.27Å; V193-M195 PolarHBondContact O-N 2.83Å | ||
| 194 | A | 37.7 | Very low | 43.8 | Very low | 34 Ų | 34 | 105.8 Ų | 105.8 | 28% | 0.281 | 53% | 0.526 | S | S | . | . | trans | -45.3 | 112.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | A382 I391 | A194-A382 WeakPolarHBondContact O-CB 3.48Å; A194-I391 HydrophobicContact CB-CG2 4.38Å | ||
| 195 | M | 49.1 | Very low | 46.1 | Very low | 135 Ų | 135 | 100.5 Ų | 100.5 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | trans | -82.4 | 137.2 | -177.5 | -65 | -178.4 | 70.4 | 0 | 0 | 110 | V193 P197 | V193-M195 PolarHBondContact O-N 2.83Å; M195-P197 WeakPolarHBondContact O-CD 3.35Å | ||
| 196 | S | 46 | Very low | 48.4 | Very low | 1 Ų | 1 | 98.2 Ų | 98.2 | 1% | 0.007 | 51% | 0.506 | C | S | . | . | trans | -62.2 | 130.6 | 177.1 | 157.5 | 0 | 0 | 0 | 0 | 111.6 | W198 T199 R200 E381 | S196-W198 PolarHBondContact O-N 2.88Å; S196-W198 PolarHBondContact OG-N 3.06Å; S196-W198 VanDerWaalsContact OG-N 3.08Å; S196-T199 VanDerWaalsContact CB-OG1 3.28Å; S196-T199 WeakPolarHBondContact CB-OG1 3.12Å; S196-T199 PolarHBondContact OG-N 3.41Å; S196-T199 PolarHBondContact OG-OG1 3.33Å; S196-R200 PolarHBondContact O-N 2.92Å; S196-R200 VanDerWaalsContact O-N 3.12Å; S196-E381 WeakPolarHBondContact CB-OE2 3.27Å; S196-E381 VanDerWaalsContact OG-CB 3.24Å; S196-E381 WeakPolarHBondContact OG-CB 3.34Å; S196-E381 PolarHBondContact OG-OE2 3.3Å | ||
| 197 | P | 53.6 | Low | 51.2 | Low | 63 Ų | 63 | 93.8 Ų | 93.8 | 41% | 0.409 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -27.2 | 171 | -24.8 | 27.3 | 0 | 0 | 0 | 114.1 | M195 I391 | M195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-I391 VanDerWaalsContact CD-CD1 3.5Å; P197-I391 HydrophobicContact CG-CD1 4.1Å; P197-I391 HydrophobicContact CG-CG1 4.06Å |
| 198 | W | 50.8 | Low | 54.1 | Low | 45 Ų | 45 | 87.8 Ų | 87.8 | 17% | 0.17 | 47% | 0.474 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -29.9 | -172.1 | -64.6 | -104.6 | 0 | 0 | 0 | 113.3 | I106 R130 S196 A385 L390 | I106-W198 HydrophobicContact CD1-CH2 4.36Å; I106-W198 HydrophobicContact CD1-CZ2 4.32Å; I106-W198 HydrophobicContact CD1-CZ3 4.48Å; R130-W198 PolarHBondContact NE-O 2.59Å; R130-W198 PolarHBondContact NH2-O 2.99Å; S196-W198 PolarHBondContact O-N 2.88Å; S196-W198 PolarHBondContact OG-N 3.06Å; S196-W198 VanDerWaalsContact OG-N 3.08Å; W198-A385 HydrophobicContact CH2-CB 4.14Å; W198-A385 HydrophobicContact CZ3-CB 3.63Å; W198-L390 HydrophobicContact CH2-CD1 3.6Å; W198-L390 HydrophobicContact CZ2-CD1 4.12Å |
| 199 | T | 54.9 | Low | 56.9 | Low | 8 Ų | 8 | 86.3 Ų | 86.3 | 5% | 0.049 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -4.7 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 114.1 | T137 S196 V201 K377 E378 E381 | T137-T199 HydrophobicContact CG2-CG2 4Å; S196-T199 VanDerWaalsContact CB-OG1 3.28Å; S196-T199 WeakPolarHBondContact CB-OG1 3.12Å; S196-T199 PolarHBondContact OG-N 3.41Å; S196-T199 PolarHBondContact OG-OG1 3.33Å; T199-V201 PolarHBondContact O-N 3.05Å; T199-K377 HydrophobicContact CG2-CD 4.33Å; T199-K377 HydrophobicContact CG2-CG 4.41Å; T199-E378 HydrophobicContact CG2-CG 4.27Å; T199-E378 WeakPolarHBondContact OG1-CG 3.47Å; T199-E381 WeakPolarHBondContact CG2-OE2 3.31Å; T199-E381 PolarHBondContact OG1-OE2 2.89Å |
| 200 | R | 52.9 | Low | 59.7 | Low | 157 Ų | 157 | 82.2 Ų | 82.2 | 59% | 0.592 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -50.2 | 138.1 | 173.5 | -166.9 | 172.2 | 79.5 | 179.3 | 3.6 | 110.1 | S196 S202 | S196-R200 PolarHBondContact O-N 2.92Å; S196-R200 VanDerWaalsContact O-N 3.12Å; R200-S202 PolarHBondContact O-N 2.85Å |
| 201 | V | 52.3 | Low | 62.9 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 53% | 0.533 | 43% | 0.428 | S | S | . | . | trans | -60 | 87 | 166.6 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | D138 T199 | D138-V201 WeakPolarHBondContact OD1-CG1 3.39Å; T199-V201 PolarHBondContact O-N 3.05Å | ||
| 202 | S | 52.5 | Low | 66 | Low | 37 Ų | 37 | 79.7 Ų | 79.7 | 26% | 0.259 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 129.6 | 177.6 | -170.3 | 0 | 0 | 0 | 0 | 106.6 | G133 R200 F204 | G133-S202 CarbonylContact C-O 3.56Å; G133-S202 VanDerWaalsContact CA-O 3.24Å; G133-S202 WeakPolarHBondContact CA-O 3.26Å; R200-S202 PolarHBondContact O-N 2.85Å; S202-F204 PolarHBondContact O-N 3.47Å |
| 203 | R | 69 | Low | 69.1 | Low | 152 Ų | 152 | 74.3 Ų | 74.3 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 124.8 | 174 | -70.8 | 179.8 | 176 | 167 | -3.1 | 107.8 | T152 I205 | T152-R203 PolarHBondContact O-NH2 2.84Å; R203-I205 PolarHBondContact O-N 3.35Å |
| 204 | F | 81.2 | Confident | 71.8 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 14% | 0.14 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 128.6 | 172.1 | 178.1 | -116.8 | 0 | 0 | 0 | 110 | F26 S202 P206 H278 E279 L282 | F26-F204 AromaticContact CE2-CD2 3.64Å; F26-F204 HydrophobicContact CE2-CD2 3.64Å; F26-F204 AromaticContact CE2-CE2 3.8Å; F26-F204 HydrophobicContact CE2-CE2 3.8Å; F26-F204 HydrophobicContact CE2-CG 4.15Å; F26-F204 HydrophobicContact CE2-CZ 4.4Å; F26-F204 HydrophobicContact CZ-CB 4.19Å; F26-F204 HydrophobicContact CZ-CD1 4.4Å; F26-F204 AromaticContact CZ-CD2 3.79Å; F26-F204 HydrophobicContact CZ-CD2 3.79Å; F26-F204 HydrophobicContact CZ-CE2 4.34Å; F26-F204 AromaticContact CZ-CG 3.85Å; F26-F204 HydrophobicContact CZ-CG 3.85Å; S202-F204 PolarHBondContact O-N 3.47Å; F204-P206 HydrophobicContact CD1-CB 4.49Å; F204-P206 HydrophobicContact CE1-CB 3.75Å; F204-P206 HydrophobicContact CZ-CB 4.21Å; F204-H278 HydrophobicContact CD1-CB 4.1Å; F204-H278 HydrophobicContact CE1-CB 3.96Å; F204-E279 HydrophobicContact CB-CG 4.01Å; F204-E279 HydrophobicContact CD1-CG 3.92Å; F204-E279 HydrophobicContact CG-CG 4.21Å; F204-L282 HydrophobicContact CE1-CD1 3.76Å; F204-L282 HydrophobicContact CE2-CD1 4.04Å; F204-L282 HydrophobicContact CZ-CD1 3.3Å; F204-L282 HydrophobicContact CZ-CG 4.48Å |
| 205 | I | 84.3 | Confident | 74.5 | Confident | 133 Ų | 133 | 69.2 Ų | 69.2 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | trans | -109.5 | 101.6 | 176.2 | -58 | 176.9 | 0 | 0 | 0 | 106.9 | R203 | R203-I205 PolarHBondContact O-N 3.35Š| ||
| 206 | P | 85 | Confident | 76.3 | Confident | 45 Ų | 45 | 65.6 Ų | 65.6 | 29% | 0.292 | 34% | 0.343 | S | S | . | . | trans | -66.8 | 144.8 | 177.1 | 29.1 | -35.6 | 0 | 0 | 0 | 110.7 | F204 H278 | F204-P206 HydrophobicContact CD1-CB 4.49Å; F204-P206 HydrophobicContact CE1-CB 3.75Å; F204-P206 HydrophobicContact CZ-CB 4.21Å; P206-H278 HydrophobicContact CB-CB 4.01Å; P206-H278 HydrophobicContact CG-CB 4.05Å | ||
| 207 | T | 89.8 | Confident | 78.2 | Confident | 64 Ų | 64 | 68.5 Ų | 68.5 | 39% | 0.393 | 37% | 0.373 | S | S | . | . | trans | -132.1 | 159 | 171 | 65.3 | 0 | 0 | 0 | 0 | 108.8 | T209 T210 I211 | T207-T209 PolarHBondContact O-N 2.92Å; T207-T210 PolarHBondContact N-OG1 2.93Å; T207-T210 PolarHBondContact O-N 2.95Å; T207-T210 PolarHBondContact O-OG1 3Å; T207-T210 WeakPolarHBondContact OG1-CG2 3.28Å; T207-T210 PolarHBondContact OG1-N 2.71Å; T207-T210 PolarHBondContact OG1-OG1 3.17Å; T207-I211 PolarHBondContact O-N 3.02Å | ||
| 208 | T | 91.3 | Very high | 80 | Confident | 109 Ų | 109 | 72.7 Ų | 72.7 | 67% | 0.669 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56.7 | -37.2 | 172.2 | -49.9 | 0 | 0 | 0 | 0 | 111.1 | I211 L212 | T208-I211 PolarHBondContact O-N 3.36Å; T208-L212 HydrophobicContact CG2-CD1 4.06Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CG 3.27Å; T208-L212 PolarHBondContact O-N 3.4Å |
| 209 | T | 92 | Very high | 82 | Confident | 89 Ų | 89 | 75.6 Ų | 75.6 | 55% | 0.546 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.5 | -49.1 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 112 | T207 I211 L212 E213 | T207-T209 PolarHBondContact O-N 2.92Å; T209-I211 VanDerWaalsContact C-N 3.27Å; T209-I211 PolarHBondContact O-N 3.36Å; T209-L212 PolarHBondContact O-N 3.35Å; T209-E213 HydrophobicContact CG2-CG 4.42Å; T209-E213 WeakPolarHBondContact O-CG 3.25Å; T209-E213 PolarHBondContact O-N 3.39Å |
| 210 | T | 91 | Very high | 83.9 | Confident | 33 Ų | 33 | 77.6 Ų | 77.6 | 20% | 0.202 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.6 | -33 | -178.6 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | T207 F214 | T207-T210 PolarHBondContact N-OG1 2.93Å; T207-T210 PolarHBondContact O-N 2.95Å; T207-T210 PolarHBondContact O-OG1 3Å; T207-T210 WeakPolarHBondContact OG1-CG2 3.28Å; T207-T210 PolarHBondContact OG1-N 2.71Å; T207-T210 PolarHBondContact OG1-OG1 3.17Å; T210-F214 WeakPolarHBondContact O-CD2 3.44Å |
| 211 | I | 92.3 | Very high | 85.9 | Confident | 46 Ų | 46 | 76.7 Ų | 76.7 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -68 | -47.6 | 173.6 | -64.3 | 168 | 0 | 0 | 0 | 110.5 | T207 T208 T209 E213 F214 A215 F295 | T207-I211 PolarHBondContact O-N 3.02Å; T208-I211 PolarHBondContact O-N 3.36Å; T209-I211 VanDerWaalsContact C-N 3.27Å; T209-I211 PolarHBondContact O-N 3.36Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.92Å; I211-F214 CarbonylContact O-C 3.45Å; I211-F214 PolarHBondContact O-N 2.96Å; I211-A215 WeakPolarHBondContact O-CB 3.4Å; I211-A215 PolarHBondContact O-N 3.34Å; I211-F295 HydrophobicContact CD1-CE1 3.89Å; I211-F295 HydrophobicContact CD1-CZ 3.99Å; I211-F295 HydrophobicContact CG1-CZ 4.39Å; I211-F295 HydrophobicContact CG2-CZ 4.02Å |
| 212 | L | 93.6 | Very high | 87.8 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 62% | 0.618 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.4 | -35.2 | -179.7 | -73.3 | 173.5 | 0 | 0 | 0 | 112.9 | T208 T209 F214 A215 | T208-L212 HydrophobicContact CG2-CD1 4.06Å; T208-L212 HydrophobicContact CG2-CG 4.39Å; T208-L212 WeakPolarHBondContact O-CG 3.27Å; T208-L212 PolarHBondContact O-N 3.4Å; T209-L212 PolarHBondContact O-N 3.35Å; L212-F214 PolarHBondContact O-N 3.07Å; L212-A215 PolarHBondContact O-N 3.06Å |
| 213 | E | 94 | Very high | 89.8 | Confident | 70 Ų | 70 | 83.3 Ų | 83.3 | 33% | 0.327 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -27 | 174.6 | -74.5 | -179.1 | 141.2 | 0 | 0 | 112.9 | R33 T209 I211 | R33-E213 WeakPolarHBondContact CD-O 3.45Å; R33-E213 VanDerWaalsContact CZ-CD 3.49Å; R33-E213 IonicContact CZ-OE1 3.74Å; R33-E213 IonicContact CZ-OE2 2.93Å; R33-E213 IonicContact NH1-OE1 3.05Å; R33-E213 IonicContact NH2-OE1 2.6Å; R33-E213 PolarHBondContact NH2-OE1 3.24Å; R33-E213 IonicContact NH2-OE2 3.63Å; R33-E213 PolarHBondContact NH2-OE2 3.18Å; R33-E213 VanDerWaalsContact NH2-OE2 3.09Å; T209-E213 HydrophobicContact CG2-CG 4.42Å; T209-E213 WeakPolarHBondContact O-CG 3.25Å; T209-E213 PolarHBondContact O-N 3.39Å; I211-E213 VanDerWaalsContact C-N 3.31Å; I211-E213 PolarHBondContact O-N 2.92Å |
| 214 | F | 95.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 77.6 Ų | 77.6 | 1% | 0.013 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -97.4 | -24.5 | 178.9 | -87.8 | -113 | 0 | 0 | 0 | 113.2 | F26 A29 N30 K74 W75 T210 I211 L212 L282 L285 A286 | F26-F214 HydrophobicContact CB-CE1 4.26Å; F26-F214 HydrophobicContact CB-CZ 4.38Å; A29-F214 HydrophobicContact CB-CE1 4.01Å; A29-F214 HydrophobicContact CB-CZ 4.3Å; N30-F214 HydrophobicContact CB-CE2 3.82Å; N30-F214 HydrophobicContact CB-CZ 3.72Å; K74-F214 WeakPolarHBondContact CE-O 3.22Å; K74-F214 PolarHBondContact NZ-O 3.32Å; W75-F214 AromaticContact CH2-CD1 3.76Å; W75-F214 HydrophobicContact CH2-CD1 3.76Å; W75-F214 HydrophobicContact CH2-CD2 4.29Å; W75-F214 AromaticContact CH2-CE1 3.94Å; W75-F214 HydrophobicContact CH2-CE1 3.94Å; W75-F214 HydrophobicContact CH2-CE2 4.44Å; W75-F214 AromaticContact CH2-CG 3.95Å; W75-F214 HydrophobicContact CH2-CG 3.95Å; W75-F214 HydrophobicContact CH2-CZ 4.28Å; W75-F214 HydrophobicContact CZ3-CD1 4.39Å; W75-F214 HydrophobicContact CZ3-CE1 4.18Å; T210-F214 WeakPolarHBondContact O-CD2 3.44Å; I211-F214 CarbonylContact O-C 3.45Å; I211-F214 PolarHBondContact O-N 2.96Å; L212-F214 PolarHBondContact O-N 3.07Å; F214-L282 HydrophobicContact CB-CD2 3.8Å; F214-L282 HydrophobicContact CD1-CB 4.09Å; F214-L282 HydrophobicContact CD1-CD2 4.1Å; F214-L282 WeakPolarHBondContact CD1-O 3.33Å; F214-L282 HydrophobicContact CD2-CD2 4.02Å; F214-L282 HydrophobicContact CE1-CB 4.13Å; F214-L282 WeakPolarHBondContact CE1-O 3.42Å; F214-L282 HydrophobicContact CG-CD2 3.72Å; F214-L285 HydrophobicContact CB-CB 3.99Å; F214-L285 HydrophobicContact CB-CD1 4.18Å; F214-L285 HydrophobicContact CD1-CB 4.39Å; F214-A286 HydrophobicContact CD1-CB 4.28Å; F214-A286 HydrophobicContact CE1-CB 4.07Å |
| 215 | A | 94 | Very high | 92 | Very high | 25 Ų | 25 | 79.9 Ų | 79.9 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | trans | -78.9 | 150.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I211 L212 G217 | I211-A215 WeakPolarHBondContact O-CB 3.4Å; I211-A215 PolarHBondContact O-N 3.34Å; L212-A215 PolarHBondContact O-N 3.06Å; A215-G217 VanDerWaalsContact C-N 3.34Å | ||
| 216 | E | 86.6 | Confident | 92.6 | Very high | 59 Ų | 59 | 73.8 Ų | 73.8 | 28% | 0.276 | 42% | 0.42 | S | S | . | . | trans | -76 | -27.1 | 168.1 | -63.6 | -164.9 | 158.9 | 0 | 0 | 111.9 | R218 N291 | E216-R218 VanDerWaalsContact C-N 3.25Å; E216-R218 PolarHBondContact O-N 3.23Å; E216-R218 IonicContact OE1-NH2 3.51Å; E216-R218 IonicContact OE2-CZ 3.47Å; E216-R218 IonicContact OE2-NE 3.37Å; E216-R218 IonicContact OE2-NH2 2.95Å; E216-R218 PolarHBondContact OE2-NH2 2.7Å; E216-N291 PolarHBondContact OE2-ND2 3.01Å | ||
| 217 | G | 86.6 | Confident | 93.3 | Very high | 63 Ų | 63 | 71.6 Ų | 71.6 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | trans | 67.5 | 19.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | A215 | A215-G217 VanDerWaalsContact C-N 3.34Š| ||
| 218 | R | 89.9 | Confident | 93.7 | Very high | 151 Ų | 151 | 68.6 Ų | 68.6 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | trans | -110.8 | 123.1 | -178.5 | -65.2 | -177.4 | -65.2 | 169.6 | -0.1 | 109.9 | E216 Y253 | E216-R218 VanDerWaalsContact C-N 3.25Å; E216-R218 PolarHBondContact O-N 3.23Å; E216-R218 IonicContact OE1-NH2 3.51Å; E216-R218 IonicContact OE2-CZ 3.47Å; E216-R218 IonicContact OE2-NE 3.37Å; E216-R218 IonicContact OE2-NH2 2.95Å; E216-R218 PolarHBondContact OE2-NH2 2.7Å; R218-Y253 VanDerWaalsContact O-CE2 3.24Å; R218-Y253 WeakPolarHBondContact O-CE2 3.49Å; R218-Y253 PolarHBondContact O-OH 3.23Å | ||
| 219 | P | 92.9 | Very high | 94 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 69% | 0.688 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -69 | 160.9 | 172.8 | 30.5 | -35.2 | 0 | 0 | 0 | 111.5 | ||
| 220 | P | 94.7 | Very high | 94.3 | Very high | 50 Ų | 50 | 60.2 Ų | 60.2 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 139.1 | 172.4 | 25.9 | -33.3 | 0 | 0 | 0 | 110.6 | D224 V226 Y253 | P220-D224 HydrophobicContact CB-CB 4.29Å; P220-V226 HydrophobicContact CB-CG2 3.93Å; P220-V226 HydrophobicContact CG-CG2 4.22Å; P220-Y253 HydrophobicContact CB-CD1 4.14Å; P220-Y253 HydrophobicContact CB-CD2 3.79Å; P220-Y253 HydrophobicContact CB-CE2 4.2Å; P220-Y253 HydrophobicContact CB-CG 3.75Å; P220-Y253 HydrophobicContact CG-CD1 4.5Å |
| 221 | K | 95.1 | Very high | 94.4 | Very high | 138 Ų | 138 | 59.4 Ų | 59.4 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 157.1 | 171.5 | -58.3 | 171.1 | -174 | 166.9 | 0 | 109.6 | T223 D224 | K221-T223 PolarHBondContact O-N 3.49Å; K221-D224 HydrophobicContact CB-CB 4.41Å; K221-D224 WeakPolarHBondContact CB-OD2 3.2Å; K221-D224 WeakPolarHBondContact CG-OD2 3.38Å; K221-D224 PolarHBondContact N-OD2 3.05Å; K221-D224 WeakPolarHBondContact O-CB 3.33Å; K221-D224 PolarHBondContact O-N 3.42Å |
| 222 | P | 93 | Very high | 94.5 | Very high | 144 Ų | 144 | 57.6 Ų | 57.6 | 94% | 0.935 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -22.2 | 176.5 | -26.8 | 35.4 | 0 | 0 | 0 | 115 | ||
| 223 | T | 95.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 52.2 Ų | 52.2 | 74% | 0.736 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -11.9 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 113.8 | K221 | K221-T223 PolarHBondContact O-N 3.49Š|
| 224 | D | 96.8 | Very high | 94.6 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | trans | -74.4 | 132.7 | -173.7 | -70.7 | -9.7 | 0 | 0 | 0 | 110 | P220 K221 V226 D252 | P220-D224 HydrophobicContact CB-CB 4.29Å; K221-D224 HydrophobicContact CB-CB 4.41Å; K221-D224 WeakPolarHBondContact CB-OD2 3.2Å; K221-D224 WeakPolarHBondContact CG-OD2 3.38Å; K221-D224 PolarHBondContact N-OD2 3.05Å; K221-D224 WeakPolarHBondContact O-CB 3.33Å; K221-D224 PolarHBondContact O-N 3.42Å; D224-V226 PolarHBondContact O-N 3.22Å; D224-D252 HydrophobicContact CB-CB 3.88Å | ||
| 225 | K | 97.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 48.9 Ų | 48.9 | 35% | 0.352 | 28% | 0.282 | S | S | . | . | trans | -80.3 | 113.8 | 170.2 | -172.7 | 176.7 | 171.4 | -157.1 | 0 | 109.9 | F250 G251 D252 Y253 Q312 | K225-F250 WeakPolarHBondContact CD-O 3.5Å; K225-F250 WeakPolarHBondContact CE-O 3.5Å; K225-F250 PolarHBondContact NZ-O 3.13Å; K225-G251 CarbonylContact O-C 3.52Å; K225-G251 WeakPolarHBondContact O-CA 3.35Å; K225-D252 PolarHBondContact N-OD2 3.3Å; K225-D252 PolarHBondContact O-N 2.73Å; K225-Y253 PolarHBondContact O-N 3.37Å; K225-Y253 VanDerWaalsContact O-N 3.16Å; K225-Q312 HydrophobicContact CG-CB 3.9Å; K225-Q312 HydrophobicContact CG-CG 4.49Å | ||
| 226 | V | 98.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.4 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.5 | P220 D224 Y253 I255 V311 Q312 A313 | P220-V226 HydrophobicContact CB-CG2 3.93Å; P220-V226 HydrophobicContact CG-CG2 4.22Å; D224-V226 PolarHBondContact O-N 3.22Å; V226-Y253 CarbonylContact C-O 3.55Å; V226-Y253 WeakPolarHBondContact CA-O 3.47Å; V226-I255 HydrophobicContact CG1-CD1 3.57Å; V226-I255 HydrophobicContact CG1-CG1 3.95Å; V226-V311 HydrophobicContact CG1-CG2 4.33Å; V226-Q312 PolarHBondContact O-N 3.29Å; V226-Q312 PolarHBondContact O-OE1 3.13Å; V226-A313 PolarHBondContact O-N 3Å |
| 227 | V | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135 | 176.3 | -173.8 | 0 | 0 | 0 | 0 | 109 | F250 Y253 L254 I255 A313 I315 | V227-F250 HydrophobicContact CG1-CB 4.47Å; V227-F250 HydrophobicContact CG2-CB 4.01Å; V227-Y253 PolarHBondContact N-O 3.42Å; V227-L254 HydrophobicContact CB-CD1 3.89Å; V227-L254 HydrophobicContact CG1-CD1 3.76Å; V227-I255 PolarHBondContact O-N 3.46Å; V227-A313 CarbonylContact C-O 3.56Å; V227-A313 WeakPolarHBondContact CA-O 3.48Å; V227-A313 HydrophobicContact CG1-CB 4.43Å; V227-A313 HydrophobicContact CG2-CB 4.39Å; V227-I315 HydrophobicContact CG1-CD1 4.3Å; V227-I315 HydrophobicContact CG1-CG1 3.47Å; V227-I315 VanDerWaalsContact CG1-CG1 3.47Å |
| 228 | Y | 98.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.3 | 176 | -174.8 | -100.2 | 0 | 0 | 0 | 111.2 | T230 I255 V294 I301 I305 A313 V314 I315 | Y228-T230 HydrophobicContact CE1-CG2 4.29Å; Y228-I255 WeakPolarHBondContact CA-O 3.47Å; Y228-I255 HydrophobicContact CD2-CB 4Å; Y228-I255 HydrophobicContact CD2-CG2 3.85Å; Y228-I255 HydrophobicContact CE2-CG2 4.09Å; Y228-V294 HydrophobicContact CE2-CG2 4.2Å; Y228-I301 HydrophobicContact CD1-CD1 4.1Å; Y228-I301 HydrophobicContact CE1-CD1 4Å; Y228-I301 HydrophobicContact CE1-CG1 4.07Å; Y228-I305 HydrophobicContact CD2-CG2 4.38Å; Y228-I305 HydrophobicContact CE1-CG2 4.44Å; Y228-I305 HydrophobicContact CE2-CG2 3.97Å; Y228-A313 PolarHBondContact N-O 3.48Å; Y228-V314 VanDerWaalsContact O-CA 3.3Å; Y228-V314 WeakPolarHBondContact O-CA 3.39Å; Y228-I315 PolarHBondContact O-N 3.37Å |
| 229 | V | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 154.7 | 169.9 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | F233 F243 L244 A247 L254 I255 V256 G257 I315 | V229-F233 HydrophobicContact CG2-CZ 4.14Å; V229-F243 HydrophobicContact CB-CE1 3.95Å; V229-F243 HydrophobicContact CB-CZ 3.95Å; V229-F243 HydrophobicContact CG1-CE1 4.07Å; V229-F243 HydrophobicContact CG1-CZ 3.73Å; V229-F243 HydrophobicContact CG2-CE1 4.25Å; V229-L244 HydrophobicContact CG2-CD2 3.64Å; V229-A247 HydrophobicContact CG1-CB 3.67Å; V229-L254 HydrophobicContact CG1-CD1 4.03Å; V229-L254 HydrophobicContact CG2-CD1 4.2Å; V229-I255 PolarHBondContact N-O 3.34Å; V229-V256 HydrophobicContact CG2-CB 4.12Å; V229-V256 HydrophobicContact CG2-CG1 4.02Å; V229-V256 HydrophobicContact CG2-CG2 3.76Å; V229-V256 CarbonylContact O-C 3.41Å; V229-G257 PolarHBondContact O-N 3.1Å; V229-I315 HydrophobicContact CG1-CB 3.85Å; V229-I315 HydrophobicContact CG1-CG1 4.45Å; V229-I315 WeakPolarHBondContact CG1-O 3.3Å |
| 230 | T | 96.8 | Very high | 96.1 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 13% | 0.129 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.7 | 177.8 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | Y228 G257 I301 F336 | Y228-T230 HydrophobicContact CE1-CG2 4.29Å; T230-G257 VanDerWaalsContact CA-O 3.31Å; T230-G257 WeakPolarHBondContact CA-O 3.17Å; T230-G257 PolarHBondContact OG1-O 3.49Å; T230-I301 HydrophobicContact CG2-CD1 4.09Å; T230-I301 HydrophobicContact CG2-CG1 4.18Å; T230-F336 HydrophobicContact CG2-CE1 4.48Å |
| 231 | G | 95.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 30.2 Ų | 30.2 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | -174.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G257 L259 | G231-G257 PolarHBondContact N-O 3.41Å; G231-L259 WeakPolarHBondContact O-CG 3.16Å; G231-L259 PolarHBondContact O-N 3.48Å; G231-L259 VanDerWaalsContact O-N 3.1Å |
| 232 | S | 93.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 24.5 Ų | 24.5 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | trans | -69.1 | -44.4 | 172.6 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | D234 Y267 K268 R280 | S232-D234 PolarHBondContact O-N 2.92Å; S232-D234 VanDerWaalsContact O-N 3.16Å; S232-Y267 VanDerWaalsContact CB-OH 3.28Å; S232-Y267 WeakPolarHBondContact CB-OH 3.46Å; S232-Y267 PolarHBondContact OG-OH 2.74Å; S232-K268 PolarHBondContact OG-NZ 3.09Å; S232-R280 WeakPolarHBondContact O-CD 3.43Å; S232-R280 PolarHBondContact O-NH1 2.86Å | ||
| 233 | F | 96.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.018 | 11% | 0.106 | C | C | . | . | trans | 47.5 | 37.3 | -168 | -62.1 | -85.9 | 0 | 0 | 0 | 113.3 | V229 F236 H240 F243 L244 V256 I258 V284 | V229-F233 HydrophobicContact CG2-CZ 4.14Å; F233-F236 HydrophobicContact CB-CD2 4.44Å; F233-F236 HydrophobicContact CD1-CD2 4.19Å; F233-F236 HydrophobicContact CD1-CE2 4.11Å; F233-H240 HydrophobicContact CD1-CB 4.06Å; F233-H240 AromaticContact CD1-CD2 3.56Å; F233-H240 AromaticContact CD1-CG 3.86Å; F233-H240 HydrophobicContact CE1-CB 4.39Å; F233-H240 AromaticContact CE1-CD2 3.95Å; F233-F243 HydrophobicContact CE1-CD1 4.29Å; F233-F243 HydrophobicContact CE1-CE1 4.42Å; F233-F243 HydrophobicContact CZ-CD1 4.4Å; F233-F243 HydrophobicContact CZ-CE1 4.08Å; F233-L244 HydrophobicContact CE1-CD1 4.15Å; F233-L244 HydrophobicContact CE1-CD2 3.85Å; F233-L244 HydrophobicContact CE1-CG 4.09Å; F233-L244 HydrophobicContact CZ-CD2 4.02Å; F233-V256 HydrophobicContact CD2-CG1 3.74Å; F233-V256 HydrophobicContact CE1-CG1 4.18Å; F233-V256 HydrophobicContact CE2-CG1 3.29Å; F233-V256 HydrophobicContact CG-CG1 4.33Å; F233-V256 HydrophobicContact CZ-CG1 3.54Å; F233-I258 HydrophobicContact CB-CD1 3.97Å; F233-I258 HydrophobicContact CD2-CD1 3.57Å; F233-I258 HydrophobicContact CE2-CD1 4.38Å; F233-I258 HydrophobicContact CG-CD1 4.01Å; F233-V284 HydrophobicContact CB-CG2 3.62Å; F233-V284 HydrophobicContact CD1-CG2 4.27Å; F233-V284 HydrophobicContact CG-CG2 3.99Å | ||
| 234 | D | 94.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 137.2 | -179.3 | -174.7 | 33.7 | 0 | 0 | 0 | 110.6 | S232 H272 P273 I274 M275 T356 | S232-D234 PolarHBondContact O-N 2.92Å; S232-D234 VanDerWaalsContact O-N 3.16Å; D234-H272 IonicContact OD2-ND1 2.85Å; D234-P273 HydrophobicContact CB-CB 4.05Å; D234-P273 WeakPolarHBondContact OD2-CA 3.27Å; D234-I274 VanDerWaalsContact CG-N 3.27Å; D234-I274 PolarHBondContact OD1-N 2.71Å; D234-I274 VanDerWaalsContact OD1-N 3.16Å; D234-I274 PolarHBondContact OD2-N 2.73Å; D234-M275 PolarHBondContact OD1-N 3.48Å; D234-T356 HydrophobicContact CB-CG2 4.46Å; D234-T356 PolarHBondContact O-OG1 3.38Å |
| 235 | L | 93.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 13.8 Ų | 13.8 | 2% | 0.021 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 44.9 | 63.6 | -165.3 | -60.7 | 177.6 | 0 | 0 | 0 | 111.3 | M23 L139 M143 H237 I274 M275 T356 I359 | M23-L235 HydrophobicContact CE-CD1 4.29Å; M23-L235 HydrophobicContact CE-CD2 4.05Å; L139-L235 HydrophobicContact CD2-CD2 4.33Å; M143-L235 HydrophobicContact CE-CD1 3.96Å; M143-L235 HydrophobicContact CE-CD2 4.46Å; M143-L235 HydrophobicContact CG-CD1 4.25Å; M143-L235 HydrophobicContact SD-CD1 3.39Å; M143-L235 WeakPolarHBondContact SD-CD1 3.5Å; L235-H237 WeakPolarHBondContact O-CB 3.43Å; L235-H237 PolarHBondContact O-CD2 3.17Å; L235-H237 PolarHBondContact O-N 3.49Å; L235-H237 VanDerWaalsContact O-N 3.16Å; L235-I274 HydrophobicContact CD1-CB 4.23Å; L235-I274 HydrophobicContact CD1-CG1 4.11Å; L235-I274 HydrophobicContact CD1-CG2 4.37Å; L235-I274 HydrophobicContact CD2-CB 4.13Å; L235-I274 HydrophobicContact CD2-CG2 3.9Å; L235-I274 HydrophobicContact CG-CB 4.04Å; L235-I274 HydrophobicContact CG-CG1 4.39Å; L235-I274 HydrophobicContact CG-CG2 4.3Å; L235-M275 HydrophobicContact CD2-CE 3.87Å; L235-M275 HydrophobicContact CD2-CG 4.16Å; L235-M275 HydrophobicContact CD2-SD 4.23Å; L235-T356 HydrophobicContact CB-CG2 4.22Å; L235-T356 HydrophobicContact CD1-CG2 3.85Å; L235-T356 HydrophobicContact CG-CG2 4.14Å; L235-I359 HydrophobicContact CD1-CG2 4.29Å |
| 236 | F | 97.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 13.8 Ų | 13.8 | 4% | 0.039 | 7% | 0.074 | C | C | . | . | trans | -44.1 | 123.9 | -176.5 | -169.2 | -82.9 | 0 | 0 | 0 | 111.9 | M69 F233 H240 L241 L244 V284 Y287 | M69-F236 HydrophobicContact CE-CD1 4.11Å; M69-F236 WeakPolarHBondContact CE-O 3.41Å; F233-F236 HydrophobicContact CB-CD2 4.44Å; F233-F236 HydrophobicContact CD1-CD2 4.19Å; F233-F236 HydrophobicContact CD1-CE2 4.11Å; F236-H240 HydrophobicContact CD2-CB 3.9Å; F236-H240 HydrophobicContact CE1-CB 4.44Å; F236-H240 HydrophobicContact CE2-CB 3.68Å; F236-H240 HydrophobicContact CG-CB 4.41Å; F236-H240 HydrophobicContact CZ-CB 3.97Å; F236-L241 HydrophobicContact CE1-CB 4.15Å; F236-L241 HydrophobicContact CZ-CB 4.38Å; F236-L244 HydrophobicContact CE2-CD1 3.63Å; F236-L244 HydrophobicContact CZ-CD1 3.79Å; F236-V284 HydrophobicContact CD2-CB 4.5Å; F236-V284 HydrophobicContact CD2-CG2 3.6Å; F236-V284 HydrophobicContact CE2-CG2 3.94Å; F236-Y287 AromaticContact CD1-CD2 3.74Å; F236-Y287 HydrophobicContact CD1-CD2 3.74Å; F236-Y287 HydrophobicContact CD1-CE1 4.45Å; F236-Y287 AromaticContact CD1-CE2 3.33Å; F236-Y287 HydrophobicContact CD1-CE2 3.33Å; F236-Y287 HydrophobicContact CD1-CG 4.47Å; F236-Y287 AromaticContact CD1-CZ 3.74Å; F236-Y287 AromaticContact CE1-CD1 3.89Å; F236-Y287 HydrophobicContact CE1-CD1 3.89Å; F236-Y287 AromaticContact CE1-CD2 3.31Å; F236-Y287 HydrophobicContact CE1-CD2 3.31Å; F236-Y287 AromaticContact CE1-CE1 3.86Å; F236-Y287 HydrophobicContact CE1-CE1 3.86Å; F236-Y287 AromaticContact CE1-CE2 3.3Å; F236-Y287 HydrophobicContact CE1-CE2 3.3Å; F236-Y287 AromaticContact CE1-CG 3.63Å; F236-Y287 HydrophobicContact CE1-CG 3.63Å; F236-Y287 AromaticContact CE1-CZ 3.59Å; F236-Y287 HydrophobicContact CG-CE2 4.31Å; F236-Y287 HydrophobicContact CZ-CD1 4.47Å; F236-Y287 AromaticContact CZ-CD2 3.81Å; F236-Y287 HydrophobicContact CZ-CD2 3.81Å; F236-Y287 HydrophobicContact CZ-CE2 4.24Å; F236-Y287 AromaticContact CZ-CG 3.95Å; F236-Y287 HydrophobicContact CZ-CG 3.95Å | ||
| 237 | H | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.073 | C | C | . | . | trans | -144.6 | 175.5 | -162.7 | 58.9 | 61.7 | 0 | 0 | 0 | 111.4 | L235 G239 H240 L241 M354 T356 I359 | L235-H237 WeakPolarHBondContact O-CB 3.43Å; L235-H237 PolarHBondContact O-CD2 3.17Å; L235-H237 PolarHBondContact O-N 3.49Å; L235-H237 VanDerWaalsContact O-N 3.16Å; H237-G239 VanDerWaalsContact C-N 3.29Å; H237-G239 PolarHBondContact ND1-N 2.86Å; H237-G239 PolarHBondContact O-N 3Å; H237-H240 AromaticContact CD2-CE1 3.5Å; H237-H240 PolarHBondContact CD2-CE1 3.26Å; H237-H240 VanDerWaalsContact CD2-CE1 3.5Å; H237-H240 AromaticContact CD2-ND1 3.4Å; H237-H240 PolarHBondContact CD2-ND1 2.78Å; H237-H240 AromaticContact CE1-CE1 3.53Å; H237-H240 AromaticContact CE1-CG 3.82Å; H237-H240 AromaticContact CE1-ND1 3.38Å; H237-H240 PolarHBondContact CE1-ND1 2.82Å; H237-H240 AromaticContact CG-ND1 3.56Å; H237-H240 PolarHBondContact N-ND1 3.18Å; H237-H240 AromaticContact ND1-CG 3.99Å; H237-H240 PolarHBondContact ND1-N 3.38Å; H237-H240 AromaticContact ND1-ND1 3.54Å; H237-H240 AromaticContact NE2-CE1 3.1Å; H237-H240 PolarHBondContact NE2-CE1 3.14Å; H237-H240 AromaticContact NE2-ND1 3.31Å; H237-H240 PolarHBondContact NE2-ND1 3.19Å; H237-H240 AromaticContact NE2-NE2 3.85Å; H237-H240 WeakPolarHBondContact O-CA 3.39Å; H237-H240 WeakPolarHBondContact O-CB 3.39Å; H237-H240 PolarHBondContact O-N 3.23Å; H237-L241 PolarHBondContact O-N 2.67Å; H237-L241 VanDerWaalsContact O-N 3.09Å; H237-M354 HydrophobicContact CB-CG 4.21Å; H237-M354 PolarHBondContact CE1-O 2.78Å; H237-T356 PolarHBondContact NE2-N 2.93Å; H237-I359 HydrophobicContact CB-CD1 3.59Å; H237-I359 WeakPolarHBondContact CD2-CD1 3.14Å | ||
| 238 | I | 95.6 | Very high | 96.7 | Very high | 22 Ų | 22 | 16 Ų | 16 | 11% | 0.113 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -56.6 | -39.1 | -172.4 | -174.6 | 55.1 | 0 | 0 | 0 | 113.6 | E65 R68 M69 H240 L241 A242 M354 | E65-I238 HydrophobicContact CG-CG2 4.43Å; R68-I238 HydrophobicContact CB-CD1 3.81Å; R68-I238 HydrophobicContact CG-CD1 3.26Å; R68-I238 HydrophobicContact CG-CG1 4.45Å; M69-I238 HydrophobicContact CG-CB 4.33Å; M69-I238 VanDerWaalsContact SD-CA 3.56Å; M69-I238 HydrophobicContact SD-CB 4.11Å; M69-I238 HydrophobicContact SD-CD1 4.46Å; M69-I238 PolarHBondContact SD-N 3.39Å; I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 3.03Å; I238-L241 HydrophobicContact CD1-CB 4.47Å; I238-L241 HydrophobicContact CD1-CD2 4.26Å; I238-L241 PolarHBondContact O-N 3.4Å; I238-A242 WeakPolarHBondContact O-CB 3.21Å; I238-A242 PolarHBondContact O-N 2.77Å; I238-M354 HydrophobicContact CG2-CB 3.93Å; I238-M354 HydrophobicContact CG2-CE 4.2Å; I238-M354 HydrophobicContact CG2-CG 4.02Å |
| 239 | G | 95.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -35.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H237 F243 S352 | H237-G239 VanDerWaalsContact C-N 3.29Å; H237-G239 PolarHBondContact ND1-N 2.86Å; H237-G239 PolarHBondContact O-N 3Å; G239-F243 VanDerWaalsContact O-CB 3.28Å; G239-F243 WeakPolarHBondContact O-CB 3.46Å; G239-F243 PolarHBondContact O-N 3.12Å; G239-S352 WeakPolarHBondContact CA-OG 3.31Å |
| 240 | H | 97.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 25.1 Ų | 25.1 | 12% | 0.12 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -68.6 | -43.7 | 173.3 | -66.1 | 126.2 | 0 | 0 | 0 | 111 | F233 F236 H237 I238 F243 L244 | F233-H240 HydrophobicContact CD1-CB 4.06Å; F233-H240 AromaticContact CD1-CD2 3.56Å; F233-H240 AromaticContact CD1-CG 3.86Å; F233-H240 HydrophobicContact CE1-CB 4.39Å; F233-H240 AromaticContact CE1-CD2 3.95Å; F236-H240 HydrophobicContact CD2-CB 3.9Å; F236-H240 HydrophobicContact CE1-CB 4.44Å; F236-H240 HydrophobicContact CE2-CB 3.68Å; F236-H240 HydrophobicContact CG-CB 4.41Å; F236-H240 HydrophobicContact CZ-CB 3.97Å; H237-H240 AromaticContact CD2-CE1 3.5Å; H237-H240 PolarHBondContact CD2-CE1 3.26Å; H237-H240 VanDerWaalsContact CD2-CE1 3.5Å; H237-H240 AromaticContact CD2-ND1 3.4Å; H237-H240 PolarHBondContact CD2-ND1 2.78Å; H237-H240 AromaticContact CE1-CE1 3.53Å; H237-H240 AromaticContact CE1-CG 3.82Å; H237-H240 AromaticContact CE1-ND1 3.38Å; H237-H240 PolarHBondContact CE1-ND1 2.82Å; H237-H240 AromaticContact CG-ND1 3.56Å; H237-H240 PolarHBondContact N-ND1 3.18Å; H237-H240 AromaticContact ND1-CG 3.99Å; H237-H240 PolarHBondContact ND1-N 3.38Å; H237-H240 AromaticContact ND1-ND1 3.54Å; H237-H240 AromaticContact NE2-CE1 3.1Å; H237-H240 PolarHBondContact NE2-CE1 3.14Å; H237-H240 AromaticContact NE2-ND1 3.31Å; H237-H240 PolarHBondContact NE2-ND1 3.19Å; H237-H240 AromaticContact NE2-NE2 3.85Å; H237-H240 WeakPolarHBondContact O-CA 3.39Å; H237-H240 WeakPolarHBondContact O-CB 3.39Å; H237-H240 PolarHBondContact O-N 3.23Å; I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 3.03Å; H240-F243 PolarHBondContact O-N 3.07Å; H240-L244 WeakPolarHBondContact O-CB 3.2Å; H240-L244 VanDerWaalsContact O-CG 3.27Å; H240-L244 WeakPolarHBondContact O-CG 2.97Å; H240-L244 PolarHBondContact O-N 3.08Å |
| 241 | L | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -50.2 | 177.6 | 176.9 | 55.9 | 0 | 0 | 0 | 111.6 | M69 F236 H237 I238 F243 L244 E245 Y287 P289 | M69-L241 HydrophobicContact SD-CB 4.43Å; M69-L241 HydrophobicContact SD-CD2 4.28Å; F236-L241 HydrophobicContact CE1-CB 4.15Å; F236-L241 HydrophobicContact CZ-CB 4.38Å; H237-L241 PolarHBondContact O-N 2.67Å; H237-L241 VanDerWaalsContact O-N 3.09Å; I238-L241 HydrophobicContact CD1-CB 4.47Å; I238-L241 HydrophobicContact CD1-CD2 4.26Å; I238-L241 PolarHBondContact O-N 3.4Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.37Å; L241-L244 PolarHBondContact O-N 3.41Å; L241-E245 HydrophobicContact CD1-CG 4.19Å; L241-E245 WeakPolarHBondContact O-CG 3.32Å; L241-E245 PolarHBondContact O-N 3.4Å; L241-Y287 HydrophobicContact CD1-CD1 3.62Å; L241-Y287 HydrophobicContact CD1-CE1 4.35Å; L241-Y287 HydrophobicContact CD1-CG 4.34Å; L241-Y287 HydrophobicContact CD2-CD1 4.03Å; L241-Y287 HydrophobicContact CD2-CE1 3.94Å; L241-Y287 HydrophobicContact CG-CD1 4.32Å; L241-P289 HydrophobicContact CD1-CG 4.22Å |
| 242 | A | 97.1 | Very high | 96.8 | Very high | 18 Ų | 18 | 28.4 Ų | 28.4 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | I238 E245 K246 | I238-A242 WeakPolarHBondContact O-CB 3.21Å; I238-A242 PolarHBondContact O-N 2.77Å; A242-E245 PolarHBondContact O-N 2.99Å; A242-K246 WeakPolarHBondContact O-CG 3.42Å; A242-K246 PolarHBondContact O-N 3.46Å; A242-K246 VanDerWaalsContact O-N 3.11Å |
| 243 | F | 97.8 | Very high | 97 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 9% | 0.088 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 173.8 | 166.7 | -114 | 0 | 0 | 0 | 112.5 | V229 F233 G239 H240 L241 E245 K246 A247 I315 G317 V348 | V229-F243 HydrophobicContact CB-CE1 3.95Å; V229-F243 HydrophobicContact CB-CZ 3.95Å; V229-F243 HydrophobicContact CG1-CE1 4.07Å; V229-F243 HydrophobicContact CG1-CZ 3.73Å; V229-F243 HydrophobicContact CG2-CE1 4.25Å; F233-F243 HydrophobicContact CE1-CD1 4.29Å; F233-F243 HydrophobicContact CE1-CE1 4.42Å; F233-F243 HydrophobicContact CZ-CD1 4.4Å; F233-F243 HydrophobicContact CZ-CE1 4.08Å; G239-F243 VanDerWaalsContact O-CB 3.28Å; G239-F243 WeakPolarHBondContact O-CB 3.46Å; G239-F243 PolarHBondContact O-N 3.12Å; H240-F243 PolarHBondContact O-N 3.07Å; L241-F243 VanDerWaalsContact C-N 3.32Å; L241-F243 PolarHBondContact O-N 3.37Å; F243-E245 VanDerWaalsContact C-N 3.33Å; F243-E245 PolarHBondContact O-N 3.45Å; F243-K246 PolarHBondContact O-N 3.37Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.23Å; F243-I315 HydrophobicContact CE2-CG2 4.12Å; F243-G317 VanDerWaalsContact CE2-N 3.27Å; F243-V348 HydrophobicContact CD2-CG2 3.73Å; F243-V348 HydrophobicContact CE2-CG2 3.74Å |
| 244 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.7 | -33.2 | -178.3 | -69.2 | 179.3 | 0 | 0 | 0 | 112.5 | V229 F233 F236 H240 L241 A247 K248 L254 V256 P289 V290 | V229-L244 HydrophobicContact CG2-CD2 3.64Å; F233-L244 HydrophobicContact CE1-CD1 4.15Å; F233-L244 HydrophobicContact CE1-CD2 3.85Å; F233-L244 HydrophobicContact CE1-CG 4.09Å; F233-L244 HydrophobicContact CZ-CD2 4.02Å; F236-L244 HydrophobicContact CE2-CD1 3.63Å; F236-L244 HydrophobicContact CZ-CD1 3.79Å; H240-L244 WeakPolarHBondContact O-CB 3.2Å; H240-L244 VanDerWaalsContact O-CG 3.27Å; H240-L244 WeakPolarHBondContact O-CG 2.97Å; H240-L244 PolarHBondContact O-N 3.08Å; L241-L244 PolarHBondContact O-N 3.41Å; L244-A247 PolarHBondContact O-N 3.11Å; L244-K248 VanDerWaalsContact O-CB 3.3Å; L244-K248 WeakPolarHBondContact O-CB 3.32Å; L244-K248 PolarHBondContact O-N 3.15Å; L244-L254 HydrophobicContact CB-CD2 4.22Å; L244-L254 HydrophobicContact CD2-CD2 4.07Å; L244-V256 HydrophobicContact CD1-CG2 4.46Å; L244-V256 HydrophobicContact CD2-CG2 3.82Å; L244-P289 HydrophobicContact CB-CB 4.15Å; L244-P289 HydrophobicContact CB-CG 4.38Å; L244-V290 HydrophobicContact CD1-CG2 3.75Å |
| 245 | E | 97.9 | Very high | 97.2 | Very high | 50 Ų | 50 | 28.3 Ų | 28.3 | 23% | 0.234 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.2 | -43 | 172.6 | -71.1 | 168.6 | 155.5 | 0 | 0 | 111.4 | R68 L241 A242 F243 K248 E249 P289 | R68-E245 IonicContact CZ-OE1 2.68Å; R68-E245 IonicContact CZ-OE2 2.96Å; R68-E245 IonicContact NH1-OE1 2.85Å; R68-E245 PolarHBondContact NH1-OE1 3.44Å; R68-E245 IonicContact NH1-OE2 3.72Å; R68-E245 IonicContact NH2-OE1 3.24Å; R68-E245 PolarHBondContact NH2-OE1 3.26Å; R68-E245 IonicContact NH2-OE2 3.97Å; R68-E245 PolarHBondContact NH2-OE2 3.35Å; L241-E245 HydrophobicContact CD1-CG 4.19Å; L241-E245 WeakPolarHBondContact O-CG 3.32Å; L241-E245 PolarHBondContact O-N 3.4Å; A242-E245 PolarHBondContact O-N 2.99Å; F243-E245 VanDerWaalsContact C-N 3.33Å; F243-E245 PolarHBondContact O-N 3.45Å; E245-K248 WeakPolarHBondContact O-CB 3.35Å; E245-K248 PolarHBondContact O-N 3.03Å; E245-E249 PolarHBondContact O-N 3.38Å; E245-P289 HydrophobicContact CG-CG 3.6Å |
| 246 | K | 97.6 | Very high | 97.5 | Very high | 81 Ų | 81 | 28.1 Ų | 28.1 | 35% | 0.352 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 172.4 | -69.2 | -53.7 | -175.1 | -172 | 0 | 113.1 | A242 F243 K248 E249 F250 V348 | A242-K246 WeakPolarHBondContact O-CG 3.42Å; A242-K246 PolarHBondContact O-N 3.46Å; A242-K246 VanDerWaalsContact O-N 3.11Å; F243-K246 PolarHBondContact O-N 3.37Å; K246-K248 VanDerWaalsContact C-N 3.29Å; K246-K248 PolarHBondContact O-N 2.78Å; K246-E249 WeakPolarHBondContact CD-OE1 3.28Å; K246-E249 IonicContact NZ-OE1 2.83Å; K246-E249 PolarHBondContact NZ-OE1 2.96Å; K246-E249 IonicContact NZ-OE2 3.34Å; K246-E249 PolarHBondContact NZ-OE2 2.8Å; K246-E249 WeakPolarHBondContact O-CB 3.4Å; K246-E249 PolarHBondContact O-N 2.86Å; K246-F250 WeakPolarHBondContact O-CD2 3.43Å; K246-V348 HydrophobicContact CB-CB 4.32Å; K246-V348 HydrophobicContact CB-CG2 4.13Å |
| 247 | A | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V229 F243 L244 E249 F250 L254 I315 | V229-A247 HydrophobicContact CG1-CB 3.67Å; F243-A247 WeakPolarHBondContact O-CB 3.49Å; F243-A247 PolarHBondContact O-N 3.23Å; L244-A247 PolarHBondContact O-N 3.11Å; A247-E249 VanDerWaalsContact C-N 3.25Å; A247-E249 PolarHBondContact O-N 3.08Å; A247-F250 WeakPolarHBondContact O-CB 3.29Å; A247-F250 PolarHBondContact O-N 3.11Å; A247-F250 VanDerWaalsContact O-N 3.11Å; A247-L254 HydrophobicContact CB-CD1 4.11Å; A247-I315 HydrophobicContact CB-CB 4.03Å; A247-I315 HydrophobicContact CB-CG1 4.12Å; A247-I315 HydrophobicContact CB-CG2 4.13Å |
| 248 | K | 97.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 27.7 Ų | 27.7 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.8 | -27.7 | 178.3 | -172.9 | 61.9 | 177.9 | -178.5 | 0 | 113.2 | L244 E245 K246 F250 G251 D252 L254 P289 N291 | L244-K248 VanDerWaalsContact O-CB 3.3Å; L244-K248 WeakPolarHBondContact O-CB 3.32Å; L244-K248 PolarHBondContact O-N 3.15Å; E245-K248 WeakPolarHBondContact O-CB 3.35Å; E245-K248 PolarHBondContact O-N 3.03Å; K246-K248 VanDerWaalsContact C-N 3.29Å; K246-K248 PolarHBondContact O-N 2.78Å; K248-F250 PolarHBondContact O-N 3.4Å; K248-F250 VanDerWaalsContact O-N 3.1Å; K248-G251 PolarHBondContact O-N 2.87Å; K248-D252 PolarHBondContact NZ-O 2.57Å; K248-L254 HydrophobicContact CB-CD2 4.33Å; K248-L254 HydrophobicContact CD-CB 3.9Å; K248-P289 HydrophobicContact CB-CB 4.15Å; K248-P289 HydrophobicContact CG-CB 4.41Å; K248-N291 PolarHBondContact NZ-OD1 3.39Å |
| 249 | E | 97.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 27 Ų | 27 | 62% | 0.617 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.7 | 174.5 | -66.2 | 171.1 | -167.3 | 0 | 0 | 112.8 | E245 K246 A247 | E245-E249 PolarHBondContact O-N 3.38Å; K246-E249 WeakPolarHBondContact CD-OE1 3.28Å; K246-E249 IonicContact NZ-OE1 2.83Å; K246-E249 PolarHBondContact NZ-OE1 2.96Å; K246-E249 IonicContact NZ-OE2 3.34Å; K246-E249 PolarHBondContact NZ-OE2 2.8Å; K246-E249 WeakPolarHBondContact O-CB 3.4Å; K246-E249 PolarHBondContact O-N 2.86Å; A247-E249 VanDerWaalsContact C-N 3.25Å; A247-E249 PolarHBondContact O-N 3.08Å |
| 250 | F | 97.9 | Very high | 97.4 | Very high | 59 Ų | 59 | 28 Ų | 28 | 26% | 0.259 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -7.6 | -179.6 | -73.7 | -105.8 | 0 | 0 | 0 | 114.5 | K225 V227 K246 A247 K248 A313 I315 H346 V348 | K225-F250 WeakPolarHBondContact CD-O 3.5Å; K225-F250 WeakPolarHBondContact CE-O 3.5Å; K225-F250 PolarHBondContact NZ-O 3.13Å; V227-F250 HydrophobicContact CG1-CB 4.47Å; V227-F250 HydrophobicContact CG2-CB 4.01Å; K246-F250 WeakPolarHBondContact O-CD2 3.43Å; A247-F250 WeakPolarHBondContact O-CB 3.29Å; A247-F250 PolarHBondContact O-N 3.11Å; A247-F250 VanDerWaalsContact O-N 3.11Å; K248-F250 PolarHBondContact O-N 3.4Å; K248-F250 VanDerWaalsContact O-N 3.1Å; F250-A313 HydrophobicContact CB-CB 4.39Å; F250-I315 HydrophobicContact CB-CD1 3.88Å; F250-I315 HydrophobicContact CB-CG1 4.38Å; F250-I315 HydrophobicContact CD1-CD1 3.57Å; F250-I315 HydrophobicContact CD2-CD1 3.86Å; F250-I315 HydrophobicContact CD2-CG1 4.34Å; F250-I315 HydrophobicContact CE1-CD1 4.02Å; F250-I315 HydrophobicContact CE2-CD1 4.31Å; F250-I315 HydrophobicContact CG-CD1 3.47Å; F250-I315 VanDerWaalsContact CG-CD1 3.47Å; F250-I315 HydrophobicContact CG-CG1 4.25Å; F250-I315 HydrophobicContact CZ-CD1 4.37Å; F250-H346 HydrophobicContact CD1-CB 4.42Å; F250-H346 AromaticContact CD1-CD2 3.94Å; F250-H346 HydrophobicContact CE1-CB 3.78Å; F250-H346 AromaticContact CE1-CD2 3.98Å; F250-H346 AromaticContact CE1-CG 3.69Å; F250-H346 HydrophobicContact CZ-CB 4.25Å; F250-V348 HydrophobicContact CE2-CG1 3.49Å; F250-V348 VanDerWaalsContact CE2-CG1 3.49Å; F250-V348 HydrophobicContact CZ-CG1 3.79Å |
| 251 | G | 97.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 28.1 Ų | 28.1 | 12% | 0.124 | 14% | 0.141 | C | C | . | . | trans | 177.4 | 175.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | K225 K248 | K225-G251 CarbonylContact O-C 3.52Å; K225-G251 WeakPolarHBondContact O-CA 3.35Å; K248-G251 PolarHBondContact O-N 2.87Å | ||
| 252 | D | 97.3 | Very high | 96.6 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 51% | 0.508 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -85.9 | -16.5 | -168.2 | -47.6 | -76.9 | 0 | 0 | 0 | 113.8 | D224 K225 K248 | D224-D252 HydrophobicContact CB-CB 3.88Å; K225-D252 PolarHBondContact N-OD2 3.3Å; K225-D252 PolarHBondContact O-N 2.73Å; K248-D252 PolarHBondContact NZ-O 2.57Å |
| 253 | Y | 98 | Very high | 96.3 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 114.2 | -176.9 | -162.2 | -84.5 | 0 | 0 | 0 | 111.5 | R218 P220 K225 V226 V227 I255 N291 E292 | R218-Y253 VanDerWaalsContact O-CE2 3.24Å; R218-Y253 WeakPolarHBondContact O-CE2 3.49Å; R218-Y253 PolarHBondContact O-OH 3.23Å; P220-Y253 HydrophobicContact CB-CD1 4.14Å; P220-Y253 HydrophobicContact CB-CD2 3.79Å; P220-Y253 HydrophobicContact CB-CE2 4.2Å; P220-Y253 HydrophobicContact CB-CG 3.75Å; P220-Y253 HydrophobicContact CG-CD1 4.5Å; K225-Y253 PolarHBondContact O-N 3.37Å; K225-Y253 VanDerWaalsContact O-N 3.16Å; V226-Y253 CarbonylContact C-O 3.55Å; V226-Y253 WeakPolarHBondContact CA-O 3.47Å; V227-Y253 PolarHBondContact N-O 3.42Å; Y253-I255 HydrophobicContact CD1-CD1 4.27Å; Y253-I255 HydrophobicContact CD1-CG1 3.76Å; Y253-I255 HydrophobicContact CE1-CD1 4.16Å; Y253-I255 HydrophobicContact CE1-CG1 3.75Å; Y253-N291 WeakPolarHBondContact CA-OD1 3.38Å; Y253-N291 HydrophobicContact CD1-CB 4.03Å; Y253-N291 HydrophobicContact CD2-CB 3.79Å; Y253-N291 HydrophobicContact CE1-CB 3.81Å; Y253-N291 HydrophobicContact CE2-CB 3.56Å; Y253-N291 HydrophobicContact CG-CB 4.02Å; Y253-E292 HydrophobicContact CE1-CB 3.71Å |
| 254 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121 | -176.4 | -179.7 | 64 | 0 | 0 | 0 | 111.1 | V227 V229 L244 A247 K248 V256 P289 N291 E292 | V227-L254 HydrophobicContact CB-CD1 3.89Å; V227-L254 HydrophobicContact CG1-CD1 3.76Å; V229-L254 HydrophobicContact CG1-CD1 4.03Å; V229-L254 HydrophobicContact CG2-CD1 4.2Å; L244-L254 HydrophobicContact CB-CD2 4.22Å; L244-L254 HydrophobicContact CD2-CD2 4.07Å; A247-L254 HydrophobicContact CB-CD1 4.11Å; K248-L254 HydrophobicContact CB-CD2 4.33Å; K248-L254 HydrophobicContact CD-CB 3.9Å; L254-V256 HydrophobicContact CG-CG2 4.36Å; L254-P289 WeakPolarHBondContact CB-O 3.48Å; L254-P289 HydrophobicContact CD2-CB 4.08Å; L254-P289 WeakPolarHBondContact CD2-O 3.27Å; L254-N291 PolarHBondContact N-OD1 3.36Å; L254-N291 PolarHBondContact O-N 3.42Å; L254-E292 PolarHBondContact O-N 3.03Å |
| 255 | I | 98.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127 | 175.2 | -52.1 | -172.8 | 0 | 0 | 0 | 109.1 | V226 V227 Y228 V229 Y253 E292 V294 F309 | V226-I255 HydrophobicContact CG1-CD1 3.57Å; V226-I255 HydrophobicContact CG1-CG1 3.95Å; V227-I255 PolarHBondContact O-N 3.46Å; Y228-I255 WeakPolarHBondContact CA-O 3.47Å; Y228-I255 HydrophobicContact CD2-CB 4Å; Y228-I255 HydrophobicContact CD2-CG2 3.85Å; Y228-I255 HydrophobicContact CE2-CG2 4.09Å; V229-I255 PolarHBondContact N-O 3.34Å; Y253-I255 HydrophobicContact CD1-CD1 4.27Å; Y253-I255 HydrophobicContact CD1-CG1 3.76Å; Y253-I255 HydrophobicContact CE1-CD1 4.16Å; Y253-I255 HydrophobicContact CE1-CG1 3.75Å; I255-E292 WeakPolarHBondContact CA-O 3.39Å; I255-E292 HydrophobicContact CG1-CB 4.17Å; I255-E292 HydrophobicContact CG2-CB 4.4Å; I255-V294 HydrophobicContact CG2-CG2 3.7Å; I255-F309 HydrophobicContact CD1-CB 3.69Å; I255-F309 HydrophobicContact CD1-CD1 3.65Å; I255-F309 HydrophobicContact CD1-CE1 4.42Å; I255-F309 HydrophobicContact CD1-CG 3.7Å |
| 256 | V | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.7 | 178.4 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | V229 F233 L244 L254 I258 V284 V290 E292 V293 V294 | V229-V256 HydrophobicContact CG2-CB 4.12Å; V229-V256 HydrophobicContact CG2-CG1 4.02Å; V229-V256 HydrophobicContact CG2-CG2 3.76Å; V229-V256 CarbonylContact O-C 3.41Å; F233-V256 HydrophobicContact CD2-CG1 3.74Å; F233-V256 HydrophobicContact CE1-CG1 4.18Å; F233-V256 HydrophobicContact CE2-CG1 3.29Å; F233-V256 HydrophobicContact CG-CG1 4.33Å; F233-V256 HydrophobicContact CZ-CG1 3.54Å; L244-V256 HydrophobicContact CD1-CG2 4.46Å; L244-V256 HydrophobicContact CD2-CG2 3.82Å; L254-V256 HydrophobicContact CG-CG2 4.36Å; V256-I258 HydrophobicContact CG1-CD1 3.71Å; V256-V284 HydrophobicContact CB-CG1 3.91Å; V256-V284 HydrophobicContact CG1-CG1 3.86Å; V256-V284 HydrophobicContact CG2-CG1 4.04Å; V256-V290 HydrophobicContact CG2-CG1 4.02Å; V256-V290 HydrophobicContact CG2-CG2 3.92Å; V256-E292 PolarHBondContact N-O 2.92Å; V256-V293 HydrophobicContact CB-CG2 4.34Å; V256-V293 CarbonylContact O-C 3.6Å; V256-V293 VanDerWaalsContact O-CA 3.28Å; V256-V293 WeakPolarHBondContact O-CA 3.48Å; V256-V294 PolarHBondContact O-N 3.06Å |
| 257 | G | 98 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 121 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | V229 T230 G231 | V229-G257 PolarHBondContact O-N 3.1Å; T230-G257 VanDerWaalsContact CA-O 3.31Å; T230-G257 WeakPolarHBondContact CA-O 3.17Å; T230-G257 PolarHBondContact OG1-O 3.49Å; G231-G257 PolarHBondContact N-O 3.41Å |
| 258 | I | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 108.8 | 178.4 | -56.4 | -60 | 0 | 0 | 0 | 108.2 | F233 V256 I277 R280 V281 V284 V293 V294 G296 A297 | F233-I258 HydrophobicContact CB-CD1 3.97Å; F233-I258 HydrophobicContact CD2-CD1 3.57Å; F233-I258 HydrophobicContact CE2-CD1 4.38Å; F233-I258 HydrophobicContact CG-CD1 4.01Å; V256-I258 HydrophobicContact CG1-CD1 3.71Å; I258-I277 HydrophobicContact CG2-CG1 3.99Å; I258-R280 HydrophobicContact CG2-CB 4.15Å; I258-V281 HydrophobicContact CB-CG2 4.44Å; I258-V281 HydrophobicContact CG1-CG2 4.32Å; I258-V281 HydrophobicContact CG2-CG2 4.38Å; I258-V284 HydrophobicContact CD1-CB 4.33Å; I258-V284 HydrophobicContact CD1-CG1 4.35Å; I258-V284 HydrophobicContact CD1-CG2 3.79Å; I258-V293 HydrophobicContact CB-CG1 4.39Å; I258-V293 HydrophobicContact CG1-CG1 3.49Å; I258-V293 VanDerWaalsContact CG1-CG1 3.49Å; I258-V294 PolarHBondContact N-O 3.23Å; I258-G296 CarbonylContact O-C 3.55Å; I258-G296 VanDerWaalsContact O-CA 3.26Å; I258-G296 WeakPolarHBondContact O-CA 3.38Å; I258-G296 PolarHBondContact O-N 3.36Å; I258-A297 PolarHBondContact O-N 3.43Å |
| 259 | L | 95.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 148.3 | 179.1 | -62.8 | 178.9 | 0 | 0 | 0 | 111.1 | G231 T263 V264 Y267 R280 A297 P298 Y299 | G231-L259 WeakPolarHBondContact O-CG 3.16Å; G231-L259 PolarHBondContact O-N 3.48Å; G231-L259 VanDerWaalsContact O-N 3.1Å; L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 4.36Å; L259-T263 HydrophobicContact CD2-CG2 4.44Å; L259-V264 HydrophobicContact CB-CG2 3.75Å; L259-V264 HydrophobicContact CD1-CG2 4.5Å; L259-Y267 HydrophobicContact CD1-CE1 3.72Å; L259-R280 VanDerWaalsContact O-CZ 3.29Å; L259-R280 PolarHBondContact O-NH1 3.36Å; L259-R280 PolarHBondContact O-NH2 3.43Å; L259-A297 WeakPolarHBondContact CD2-O 3.34Å; L259-P298 VanDerWaalsContact CD2-O 3.32Å; L259-P298 WeakPolarHBondContact CD2-O 3.12Å; L259-Y299 HydrophobicContact CD1-CD2 4.35Å |
| 260 | S | 92.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 35.7 Ų | 35.7 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | -62.4 | 155.8 | 175.9 | 79.5 | 0 | 0 | 0 | 0 | 112.5 | Q262 T263 V264 | S260-Q262 PolarHBondContact O-N 3.17Å; S260-T263 PolarHBondContact O-N 3.01Å; S260-T263 WeakPolarHBondContact OG-CB 3.25Å; S260-T263 PolarHBondContact OG-N 2.68Å; S260-T263 PolarHBondContact OG-OG1 2.85Å; S260-V264 WeakPolarHBondContact O-CG2 3.29Å; S260-V264 PolarHBondContact O-N 3.18Å | ||
| 261 | D | 90.8 | Very high | 89.5 | Confident | 27 Ų | 27 | 33.9 Ų | 33.9 | 14% | 0.144 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -36.9 | 178.2 | -64.5 | -30.1 | 0 | 0 | 0 | 111.5 | V264 N265 P273 I277 R280 | D261-V264 PolarHBondContact O-N 2.87Å; D261-N265 WeakPolarHBondContact O-CB 3.43Å; D261-N265 PolarHBondContact O-N 3.24Å; D261-P273 HydrophobicContact CB-CG 4.06Å; D261-P273 VanDerWaalsContact OD1-CG 3.27Å; D261-P273 WeakPolarHBondContact OD1-CG 3.35Å; D261-I277 PolarHBondContact OD1-N 2.82Å; D261-I277 PolarHBondContact OD2-N 3.11Å; D261-R280 IonicContact OD1-CZ 2.85Å; D261-R280 IonicContact OD1-NE 3.82Å; D261-R280 IonicContact OD1-NH2 2.66Å; D261-R280 PolarHBondContact OD1-NH2 3.18Å |
| 262 | Q | 88.7 | Confident | 88.8 | Confident | 128 Ų | 128 | 33.8 Ų | 33.8 | 60% | 0.598 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -65.2 | -46.9 | 176.8 | -63.6 | 77.9 | 8.1 | 0 | 0 | 111.2 | S260 V264 N265 Q266 | S260-Q262 PolarHBondContact O-N 3.17Å; Q262-V264 VanDerWaalsContact C-N 3.35Å; Q262-V264 PolarHBondContact O-N 2.82Å; Q262-N265 PolarHBondContact O-N 3.38Å; Q262-Q266 VanDerWaalsContact O-CG 3.25Å; Q262-Q266 WeakPolarHBondContact O-CG 3.28Å; Q262-Q266 PolarHBondContact O-N 2.92Å |
| 263 | T | 89.2 | Confident | 88.4 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 14% | 0.135 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 176.6 | -57.3 | 0 | 0 | 0 | 0 | 110.6 | L259 S260 N265 Q266 Y267 Y299 | L259-T263 HydrophobicContact CB-CG2 4.39Å; L259-T263 HydrophobicContact CD1-CG2 4.36Å; L259-T263 HydrophobicContact CD2-CG2 4.44Å; S260-T263 PolarHBondContact O-N 3.01Å; S260-T263 WeakPolarHBondContact OG-CB 3.25Å; S260-T263 PolarHBondContact OG-N 2.68Å; S260-T263 PolarHBondContact OG-OG1 2.85Å; T263-N265 PolarHBondContact O-N 2.96Å; T263-Q266 WeakPolarHBondContact O-CB 3.43Å; T263-Q266 PolarHBondContact O-N 3.1Å; T263-Y267 WeakPolarHBondContact O-CD1 3.37Å; T263-Y267 PolarHBondContact O-N 2.85Å; T263-Y299 HydrophobicContact CG2-CD2 3.85Å; T263-Y299 HydrophobicContact CG2-CG 4.25Å |
| 264 | V | 88.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L259 S260 D261 Q262 Q266 Y267 K268 H272 P273 | L259-V264 HydrophobicContact CB-CG2 3.75Å; L259-V264 HydrophobicContact CD1-CG2 4.5Å; S260-V264 WeakPolarHBondContact O-CG2 3.29Å; S260-V264 PolarHBondContact O-N 3.18Å; D261-V264 PolarHBondContact O-N 2.87Å; Q262-V264 VanDerWaalsContact C-N 3.35Å; Q262-V264 PolarHBondContact O-N 2.82Å; V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.87Å; V264-Y267 VanDerWaalsContact CA-CE1 3.45Å; V264-Y267 HydrophobicContact CB-CE1 4.15Å; V264-Y267 HydrophobicContact CG1-CE1 4.33Å; V264-Y267 HydrophobicContact CG2-CE1 4.04Å; V264-Y267 PolarHBondContact O-N 3.37Å; V264-K268 HydrophobicContact CG1-CD 4.06Å; V264-K268 HydrophobicContact CG1-CG 4.32Å; V264-K268 WeakPolarHBondContact O-CB 3.44Å; V264-K268 PolarHBondContact O-N 2.87Å; V264-H272 HydrophobicContact CG1-CB 4.29Å; V264-P273 HydrophobicContact CB-CB 4.44Å; V264-P273 HydrophobicContact CB-CG 4.25Å; V264-P273 HydrophobicContact CG1-CB 3.92Å; V264-P273 HydrophobicContact CG1-CG 4.23Å |
| 265 | N | 86.4 | Confident | 87.6 | Confident | 47 Ų | 47 | 29.1 Ų | 29.1 | 25% | 0.251 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64 | -36.1 | 176.1 | -165.8 | -108.4 | 0 | 0 | 0 | 112.2 | D261 Q262 T263 Y267 G269 S270 H272 | D261-N265 WeakPolarHBondContact O-CB 3.43Å; D261-N265 PolarHBondContact O-N 3.24Å; Q262-N265 PolarHBondContact O-N 3.38Å; T263-N265 PolarHBondContact O-N 2.96Å; N265-Y267 PolarHBondContact O-N 2.9Å; N265-G269 WeakPolarHBondContact O-CA 3.35Å; N265-G269 PolarHBondContact O-N 2.84Å; N265-S270 PolarHBondContact ND2-O 3.22Å; N265-S270 VanDerWaalsContact ND2-O 3.08Å; N265-H272 WeakPolarHBondContact CA-O 3.29Å; N265-H272 VanDerWaalsContact CB-O 3.29Å; N265-H272 WeakPolarHBondContact CB-O 3.39Å; N265-H272 PolarHBondContact ND2-O 3.21Å |
| 266 | Q | 84.7 | Confident | 87.3 | Confident | 112 Ų | 112 | 30 Ų | 30 | 52% | 0.523 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -62.7 | -41.8 | 179.7 | -78.2 | 170.5 | -2.4 | 0 | 0 | 112.6 | Q262 T263 V264 S328 | Q262-Q266 VanDerWaalsContact O-CG 3.25Å; Q262-Q266 WeakPolarHBondContact O-CG 3.28Å; Q262-Q266 PolarHBondContact O-N 2.92Å; T263-Q266 WeakPolarHBondContact O-CB 3.43Å; T263-Q266 PolarHBondContact O-N 3.1Å; V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.87Å; Q266-S328 VanDerWaalsContact O-CB 3.3Å; Q266-S328 WeakPolarHBondContact O-CB 3.11Å |
| 267 | Y | 78.1 | Confident | 87 | Confident | 37 Ų | 37 | 31.2 Ų | 31.2 | 15% | 0.145 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -93.8 | -32 | -177.1 | 79.5 | -99.8 | 0 | 0 | 0 | 114.5 | S232 L259 T263 V264 N265 Y299 | S232-Y267 VanDerWaalsContact CB-OH 3.28Å; S232-Y267 WeakPolarHBondContact CB-OH 3.46Å; S232-Y267 PolarHBondContact OG-OH 2.74Å; L259-Y267 HydrophobicContact CD1-CE1 3.72Å; T263-Y267 WeakPolarHBondContact O-CD1 3.37Å; T263-Y267 PolarHBondContact O-N 2.85Å; V264-Y267 VanDerWaalsContact CA-CE1 3.45Å; V264-Y267 HydrophobicContact CB-CE1 4.15Å; V264-Y267 HydrophobicContact CG1-CE1 4.33Å; V264-Y267 HydrophobicContact CG2-CE1 4.04Å; V264-Y267 PolarHBondContact O-N 3.37Å; N265-Y267 PolarHBondContact O-N 2.9Å; Y267-Y299 HydrophobicContact CD1-CD2 4.45Å; Y267-Y299 HydrophobicContact CD1-CE2 4.14Å; Y267-Y299 HydrophobicContact CG-CE2 4.46Å |
| 268 | K | 79.7 | Confident | 86.8 | Confident | 57 Ų | 57 | 35 Ų | 35 | 25% | 0.248 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -88.8 | -24.7 | 176.3 | -65 | -164.2 | 166.5 | 177.5 | 0 | 113.3 | S232 V264 H272 | S232-K268 PolarHBondContact OG-NZ 3.09Å; V264-K268 HydrophobicContact CG1-CD 4.06Å; V264-K268 HydrophobicContact CG1-CG 4.32Å; V264-K268 WeakPolarHBondContact O-CB 3.44Å; V264-K268 PolarHBondContact O-N 2.87Å; K268-H272 HydrophobicContact CB-CB 3.65Å; K268-H272 HydrophobicContact CD-CB 4.08Å; K268-H272 HydrophobicContact CG-CB 4.43Å |
| 269 | G | 75.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 25% | 0.247 | 19% | 0.189 | C | C | . | . | trans | 65.8 | -159.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | N265 N271 H272 | N265-G269 WeakPolarHBondContact O-CA 3.35Å; N265-G269 PolarHBondContact O-N 2.84Å; G269-N271 PolarHBondContact O-N 2.91Å; G269-H272 WeakPolarHBondContact O-CB 3.46Å; G269-H272 PolarHBondContact O-N 3.26Å | ||
| 270 | S | 72.7 | Confident | 86.6 | Confident | 86 Ų | 86 | 34.9 Ų | 34.9 | 60% | 0.601 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53 | -131.9 | 176 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | K148 N265 | K148-S270 WeakPolarHBondContact CE-O 3.45Å; N265-S270 PolarHBondContact ND2-O 3.22Å; N265-S270 VanDerWaalsContact ND2-O 3.08Å |
| 271 | N | 76.1 | Confident | 86.8 | Confident | 20 Ų | 20 | 33.7 Ų | 33.7 | 11% | 0.107 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | 14.2 | -178.8 | -52.1 | -65.7 | 0 | 0 | 0 | 112.3 | L146 T147 K148 G269 P273 | L146-N271 WeakPolarHBondContact CA-ND2 3.35Å; L146-N271 WeakPolarHBondContact CB-ND2 3.37Å; L146-N271 VanDerWaalsContact O-CG 3.25Å; L146-N271 PolarHBondContact O-ND2 3.01Å; L146-N271 PolarHBondContact O-OD1 3.06Å; L146-N271 VanDerWaalsContact O-OD1 3.14Å; T147-N271 WeakPolarHBondContact CA-OD1 3.38Å; K148-N271 WeakPolarHBondContact CG-OD1 3.48Å; K148-N271 PolarHBondContact N-OD1 3.2Å; G269-N271 PolarHBondContact O-N 2.91Å; N271-P273 CarbonylContact O-C 3.5Å |
| 272 | H | 82.1 | Confident | 87.1 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.051 | 17% | 0.173 | C | C | . | . | trans | -73 | 144.3 | 177 | -74.7 | -68.4 | 0 | 0 | 0 | 110.5 | D234 V264 N265 K268 G269 D357 | D234-H272 IonicContact OD2-ND1 2.85Å; V264-H272 HydrophobicContact CG1-CB 4.29Å; N265-H272 WeakPolarHBondContact CA-O 3.29Å; N265-H272 VanDerWaalsContact CB-O 3.29Å; N265-H272 WeakPolarHBondContact CB-O 3.39Å; N265-H272 PolarHBondContact ND2-O 3.21Å; K268-H272 HydrophobicContact CB-CB 3.65Å; K268-H272 HydrophobicContact CD-CB 4.08Å; K268-H272 HydrophobicContact CG-CB 4.43Å; G269-H272 WeakPolarHBondContact O-CB 3.46Å; G269-H272 PolarHBondContact O-N 3.26Å; H272-D357 IonicContact CE1-OD1 3.29Å; H272-D357 PolarHBondContact CE1-OD1 3.1Å; H272-D357 IonicContact NE2-OD1 3.32Å; H272-D357 PolarHBondContact NE2-OD1 3.25Å | ||
| 273 | P | 89.1 | Confident | 87.5 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | cis | -75.8 | 155 | -7.6 | 31.3 | -31 | 0 | 0 | 0 | 112.1 | H150 H151 D234 D261 V264 N271 M275 | H150-P273 PolarHBondContact NE2-O 3.17Å; H150-P273 VanDerWaalsContact NE2-O 3.14Å; H151-P273 PolarHBondContact CE1-O 2.9Å; H151-P273 PolarHBondContact NE2-O 3.13Å; D234-P273 HydrophobicContact CB-CB 4.05Å; D234-P273 WeakPolarHBondContact OD2-CA 3.27Å; D261-P273 HydrophobicContact CB-CG 4.06Å; D261-P273 VanDerWaalsContact OD1-CG 3.27Å; D261-P273 WeakPolarHBondContact OD1-CG 3.35Å; V264-P273 HydrophobicContact CB-CB 4.44Å; V264-P273 HydrophobicContact CB-CG 4.25Å; V264-P273 HydrophobicContact CG1-CB 3.92Å; V264-P273 HydrophobicContact CG1-CG 4.23Å; N271-P273 CarbonylContact O-C 3.5Å; P273-M275 VanDerWaalsContact CB-O 3.3Å; P273-M275 WeakPolarHBondContact CB-O 3.31Å; P273-M275 WeakPolarHBondContact CG-O 3.35Å | ||
| 274 | I | 88.1 | Confident | 87.9 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -73.2 | -34.7 | 173.7 | -57.1 | -58.4 | 0 | 0 | 0 | 111.1 | R142 M143 H150 D234 L235 I360 | R142-I274 HydrophobicContact CB-CG2 3.82Å; R142-I274 WeakPolarHBondContact CD-O 3.16Å; R142-I274 PolarHBondContact NH1-O 3.31Å; R142-I274 VanDerWaalsContact NH1-O 3.15Å; M143-I274 HydrophobicContact CG-CD1 4.26Å; M143-I274 HydrophobicContact CG-CG1 4.22Å; M143-I274 HydrophobicContact CG-CG2 4.05Å; H150-I274 PolarHBondContact CD2-O 3.01Å; H150-I274 PolarHBondContact NE2-O 3.37Å; D234-I274 VanDerWaalsContact CG-N 3.27Å; D234-I274 PolarHBondContact OD1-N 2.71Å; D234-I274 VanDerWaalsContact OD1-N 3.16Å; D234-I274 PolarHBondContact OD2-N 2.73Å; L235-I274 HydrophobicContact CD1-CB 4.23Å; L235-I274 HydrophobicContact CD1-CG1 4.11Å; L235-I274 HydrophobicContact CD1-CG2 4.37Å; L235-I274 HydrophobicContact CD2-CB 4.13Å; L235-I274 HydrophobicContact CD2-CG2 3.9Å; L235-I274 HydrophobicContact CG-CB 4.04Å; L235-I274 HydrophobicContact CG-CG1 4.39Å; L235-I274 HydrophobicContact CG-CG2 4.3Å; I274-I360 HydrophobicContact CD1-CD1 4.44Å; I274-I360 HydrophobicContact CG1-CD1 4.38Å |
| 275 | M | 91 | Very high | 88.3 | Confident | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -103.3 | 136 | 173.3 | -72.5 | 178.7 | 171.9 | 0 | 0 | 110.7 | H25 L139 D234 L235 P273 E279 R280 | H25-M275 HydrophobicContact CB-CE 3.89Å; L139-M275 HydrophobicContact CD1-CE 3.31Å; L139-M275 HydrophobicContact CD2-CE 3.5Å; L139-M275 VanDerWaalsContact CD2-CE 3.5Å; L139-M275 HydrophobicContact CD2-CG 4Å; L139-M275 HydrophobicContact CG-CE 4.04Å; D234-M275 PolarHBondContact OD1-N 3.48Å; L235-M275 HydrophobicContact CD2-CE 3.87Å; L235-M275 HydrophobicContact CD2-CG 4.16Å; L235-M275 HydrophobicContact CD2-SD 4.23Å; P273-M275 VanDerWaalsContact CB-O 3.3Å; P273-M275 WeakPolarHBondContact CB-O 3.31Å; P273-M275 WeakPolarHBondContact CG-O 3.35Å; M275-E279 HydrophobicContact CB-CB 3.88Å; M275-E279 HydrophobicContact CG-CB 4.26Å; M275-R280 HydrophobicContact CB-CG 3.64Å; M275-R280 VanDerWaalsContact O-CD 3.31Å; M275-R280 WeakPolarHBondContact O-CD 3.28Å; M275-R280 PolarHBondContact O-NE 3.37Å; M275-R280 VanDerWaalsContact O-NE 3.14Å |
| 276 | S | 91.4 | Very high | 88.8 | Confident | 21 Ų | 21 | 23.6 Ų | 23.6 | 15% | 0.147 | 13% | 0.128 | C | C | . | . | trans | -61.4 | 164.1 | 171.9 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | H278 E279 R280 | S276-H278 PolarHBondContact O-N 3.03Å; S276-E279 WeakPolarHBondContact CB-OE2 3.37Å; S276-E279 PolarHBondContact N-OE2 3.07Å; S276-E279 PolarHBondContact O-N 2.99Å; S276-E279 VanDerWaalsContact O-N 3.11Å; S276-E279 VanDerWaalsContact OG-CG 3.31Å; S276-E279 WeakPolarHBondContact OG-CG 3.48Å; S276-E279 PolarHBondContact OG-OE2 3.48Å; S276-R280 WeakPolarHBondContact O-CG 3.34Å; S276-R280 PolarHBondContact O-N 3.18Å | ||
| 277 | I | 92.8 | Very high | 89.5 | Confident | 24 Ų | 24 | 18.5 Ų | 18.5 | 12% | 0.123 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.1 | -39.9 | 179.5 | -166.7 | 170.9 | 0 | 0 | 0 | 112.9 | I258 D261 R280 V281 G296 | I258-I277 HydrophobicContact CG2-CG1 3.99Å; D261-I277 PolarHBondContact OD1-N 2.82Å; D261-I277 PolarHBondContact OD2-N 3.11Å; I277-R280 PolarHBondContact O-N 3.11Å; I277-V281 HydrophobicContact CG1-CG2 4.46Å; I277-V281 WeakPolarHBondContact O-CB 3.47Å; I277-V281 WeakPolarHBondContact O-CG2 3.29Å; I277-V281 PolarHBondContact O-N 3.06Å; I277-G296 VanDerWaalsContact CD1-N 3.32Å |
| 278 | H | 92.8 | Very high | 90.4 | Very high | 79 Ų | 79 | 21.4 Ų | 21.4 | 37% | 0.366 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -68.9 | -37.9 | -179.3 | -58.1 | -65.9 | 0 | 0 | 0 | 112.5 | F204 P206 S276 L282 | F204-H278 HydrophobicContact CD1-CB 4.1Å; F204-H278 HydrophobicContact CE1-CB 3.96Å; P206-H278 HydrophobicContact CB-CB 4.01Å; P206-H278 HydrophobicContact CG-CB 4.05Å; S276-H278 PolarHBondContact O-N 3.03Å; H278-L282 PolarHBondContact O-N 3.22Å |
| 279 | E | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 19.1 Ų | 19.1 | 3% | 0.028 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.5 | -39.8 | 175.3 | -66.1 | 171.4 | 111.1 | 0 | 0 | 111.2 | F26 R142 F204 M275 S276 L282 S283 | F26-E279 HydrophobicContact CD1-CB 4.16Å; F26-E279 HydrophobicContact CD1-CG 4.46Å; F26-E279 HydrophobicContact CE1-CB 3.72Å; F26-E279 HydrophobicContact CE1-CG 3.56Å; F26-E279 HydrophobicContact CZ-CG 3.95Å; R142-E279 IonicContact CZ-OE1 3.9Å; R142-E279 VanDerWaalsContact CZ-OE1 3.29Å; R142-E279 IonicContact CZ-OE2 2.92Å; R142-E279 VanDerWaalsContact NH1-CD 3.33Å; R142-E279 IonicContact NH1-OE1 3.53Å; R142-E279 PolarHBondContact NH1-OE1 3.42Å; R142-E279 IonicContact NH1-OE2 3.42Å; R142-E279 PolarHBondContact NH1-OE2 3.17Å; R142-E279 IonicContact NH2-OE1 2.91Å; R142-E279 PolarHBondContact NH2-OE1 2.93Å; F204-E279 HydrophobicContact CB-CG 4.01Å; F204-E279 HydrophobicContact CD1-CG 3.92Å; F204-E279 HydrophobicContact CG-CG 4.21Å; M275-E279 HydrophobicContact CB-CB 3.88Å; M275-E279 HydrophobicContact CG-CB 4.26Å; S276-E279 WeakPolarHBondContact CB-OE2 3.37Å; S276-E279 PolarHBondContact N-OE2 3.07Å; S276-E279 PolarHBondContact O-N 2.99Å; S276-E279 VanDerWaalsContact O-N 3.11Å; S276-E279 VanDerWaalsContact OG-CG 3.31Å; S276-E279 WeakPolarHBondContact OG-CG 3.48Å; S276-E279 PolarHBondContact OG-OE2 3.48Å; E279-L282 PolarHBondContact O-N 2.87Å; E279-S283 WeakPolarHBondContact O-CB 3.44Å; E279-S283 PolarHBondContact O-N 3.33Å; E279-S283 PolarHBondContact O-OG 3.04Å |
| 280 | R | 95.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 177.2 | -68.3 | -177.7 | -64.6 | 115.6 | -0.8 | 111.6 | S232 I258 L259 D261 M275 S276 I277 L282 S283 V284 | S232-R280 WeakPolarHBondContact O-CD 3.43Å; S232-R280 PolarHBondContact O-NH1 2.86Å; I258-R280 HydrophobicContact CG2-CB 4.15Å; L259-R280 VanDerWaalsContact O-CZ 3.29Å; L259-R280 PolarHBondContact O-NH1 3.36Å; L259-R280 PolarHBondContact O-NH2 3.43Å; D261-R280 IonicContact OD1-CZ 2.85Å; D261-R280 IonicContact OD1-NE 3.82Å; D261-R280 IonicContact OD1-NH2 2.66Å; D261-R280 PolarHBondContact OD1-NH2 3.18Å; M275-R280 HydrophobicContact CB-CG 3.64Å; M275-R280 VanDerWaalsContact O-CD 3.31Å; M275-R280 WeakPolarHBondContact O-CD 3.28Å; M275-R280 PolarHBondContact O-NE 3.37Å; M275-R280 VanDerWaalsContact O-NE 3.14Å; S276-R280 WeakPolarHBondContact O-CG 3.34Å; S276-R280 PolarHBondContact O-N 3.18Å; I277-R280 PolarHBondContact O-N 3.11Å; R280-L282 PolarHBondContact O-N 3.24Å; R280-S283 PolarHBondContact O-N 3.37Å; R280-V284 WeakPolarHBondContact O-CG2 3.15Å; R280-V284 PolarHBondContact O-N 3.44Å |
| 281 | V | 96.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -54.6 | -52.9 | 174.3 | 164.4 | 0 | 0 | 0 | 0 | 111.2 | I258 I277 S283 V284 L285 V293 F295 | I258-V281 HydrophobicContact CB-CG2 4.44Å; I258-V281 HydrophobicContact CG1-CG2 4.32Å; I258-V281 HydrophobicContact CG2-CG2 4.38Å; I277-V281 HydrophobicContact CG1-CG2 4.46Å; I277-V281 WeakPolarHBondContact O-CB 3.47Å; I277-V281 WeakPolarHBondContact O-CG2 3.29Å; I277-V281 PolarHBondContact O-N 3.06Å; V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.33Å; V281-V284 PolarHBondContact O-N 3.14Å; V281-L285 HydrophobicContact CG1-CD1 3.75Å; V281-L285 HydrophobicContact CG1-CG 4.35Å; V281-L285 WeakPolarHBondContact O-CB 3.21Å; V281-L285 WeakPolarHBondContact O-CG 3.17Å; V281-L285 PolarHBondContact O-N 2.81Å; V281-V293 HydrophobicContact CB-CG1 4.44Å; V281-V293 HydrophobicContact CG1-CG1 4.19Å; V281-V293 HydrophobicContact CG2-CG1 3.9Å; V281-F295 HydrophobicContact CB-CE1 4.19Å; V281-F295 HydrophobicContact CB-CZ 4.38Å; V281-F295 HydrophobicContact CG1-CD1 4.39Å; V281-F295 HydrophobicContact CG1-CE1 3.61Å; V281-F295 HydrophobicContact CG1-CE2 3.96Å; V281-F295 HydrophobicContact CG1-CZ 3.37Å; V281-F295 HydrophobicContact CG2-CD1 3.78Å; V281-F295 HydrophobicContact CG2-CE1 3.83Å; V281-F295 HydrophobicContact CG2-CG 4.15Å; V281-F295 HydrophobicContact CG2-CZ 4.22Å |
| 282 | L | 96.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 16.9 Ų | 16.9 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65 | -35.5 | -179.9 | -66.4 | -175.6 | 0 | 0 | 0 | 112.2 | F26 F204 F214 H278 E279 R280 V284 A286 | F26-L282 HydrophobicContact CB-CB 3.67Å; F26-L282 HydrophobicContact CD2-CB 4.41Å; F26-L282 HydrophobicContact CD2-CD1 3.87Å; F26-L282 HydrophobicContact CE2-CD1 4.33Å; F26-L282 HydrophobicContact CG-CB 4.09Å; F26-L282 HydrophobicContact CG-CD1 4.34Å; F204-L282 HydrophobicContact CE1-CD1 3.76Å; F204-L282 HydrophobicContact CE2-CD1 4.04Å; F204-L282 HydrophobicContact CZ-CD1 3.3Å; F204-L282 HydrophobicContact CZ-CG 4.48Å; F214-L282 HydrophobicContact CB-CD2 3.8Å; F214-L282 HydrophobicContact CD1-CB 4.09Å; F214-L282 HydrophobicContact CD1-CD2 4.1Å; F214-L282 WeakPolarHBondContact CD1-O 3.33Å; F214-L282 HydrophobicContact CD2-CD2 4.02Å; F214-L282 HydrophobicContact CE1-CB 4.13Å; F214-L282 WeakPolarHBondContact CE1-O 3.42Å; F214-L282 HydrophobicContact CG-CD2 3.72Å; H278-L282 PolarHBondContact O-N 3.22Å; E279-L282 PolarHBondContact O-N 2.87Å; R280-L282 PolarHBondContact O-N 3.24Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 3.29Å; L282-A286 PolarHBondContact O-N 2.87Å |
| 283 | S | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | E279 R280 V281 Y287 | E279-S283 WeakPolarHBondContact O-CB 3.44Å; E279-S283 PolarHBondContact O-N 3.33Å; E279-S283 PolarHBondContact O-OG 3.04Å; R280-S283 PolarHBondContact O-N 3.37Å; V281-S283 VanDerWaalsContact C-N 3.29Å; V281-S283 PolarHBondContact O-N 3.33Å; S283-Y287 WeakPolarHBondContact O-CD2 3.35Å; S283-Y287 WeakPolarHBondContact O-CE2 3.47Å |
| 284 | V | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -77.2 | -45.5 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | F233 F236 V256 I258 R280 V281 L282 A286 Y287 V290 V293 | F233-V284 HydrophobicContact CB-CG2 3.62Å; F233-V284 HydrophobicContact CD1-CG2 4.27Å; F233-V284 HydrophobicContact CG-CG2 3.99Å; F236-V284 HydrophobicContact CD2-CB 4.5Å; F236-V284 HydrophobicContact CD2-CG2 3.6Å; F236-V284 HydrophobicContact CE2-CG2 3.94Å; V256-V284 HydrophobicContact CB-CG1 3.91Å; V256-V284 HydrophobicContact CG1-CG1 3.86Å; V256-V284 HydrophobicContact CG2-CG1 4.04Å; I258-V284 HydrophobicContact CD1-CB 4.33Å; I258-V284 HydrophobicContact CD1-CG1 4.35Å; I258-V284 HydrophobicContact CD1-CG2 3.79Å; R280-V284 WeakPolarHBondContact O-CG2 3.15Å; R280-V284 PolarHBondContact O-N 3.44Å; V281-V284 PolarHBondContact O-N 3.14Å; L282-V284 VanDerWaalsContact C-N 3.29Å; L282-V284 PolarHBondContact O-N 3.29Å; V284-A286 PolarHBondContact O-N 3.06Å; V284-A286 VanDerWaalsContact O-N 3.09Å; V284-Y287 PolarHBondContact O-N 3.39Å; V284-V290 HydrophobicContact CG1-CG1 4.03Å; V284-V290 HydrophobicContact CG1-CG2 3.9Å; V284-V293 HydrophobicContact CB-CG2 4.41Å; V284-V293 HydrophobicContact CG1-CG2 3.77Å |
| 285 | L | 97.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.6 | -18.9 | 179.4 | -75.5 | 174.8 | 0 | 0 | 0 | 114.1 | K74 F214 V281 Y287 V290 V293 | K74-L285 VanDerWaalsContact CE-O 3.3Å; K74-L285 WeakPolarHBondContact CE-O 3.3Å; K74-L285 PolarHBondContact NZ-O 3.3Å; F214-L285 HydrophobicContact CB-CB 3.99Å; F214-L285 HydrophobicContact CB-CD1 4.18Å; F214-L285 HydrophobicContact CD1-CB 4.39Å; V281-L285 HydrophobicContact CG1-CD1 3.75Å; V281-L285 HydrophobicContact CG1-CG 4.35Å; V281-L285 WeakPolarHBondContact O-CB 3.21Å; V281-L285 WeakPolarHBondContact O-CG 3.17Å; V281-L285 PolarHBondContact O-N 2.81Å; L285-Y287 VanDerWaalsContact C-N 3.26Å; L285-Y287 PolarHBondContact O-N 2.94Å; L285-V290 HydrophobicContact CD2-CG1 4.41Å; L285-V293 HydrophobicContact CD2-CB 4.12Å; L285-V293 HydrophobicContact CD2-CG2 3.61Å; L285-V293 HydrophobicContact CG-CB 4.38Å; L285-V293 HydrophobicContact CG-CG2 3.83Å |
| 286 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A29 I73 K74 W75 F214 L282 V284 | A29-A286 HydrophobicContact CB-CB 3.56Å; I73-A286 WeakPolarHBondContact CA-O 3.36Å; K74-A286 WeakPolarHBondContact CG-O 3.32Å; K74-A286 PolarHBondContact N-O 2.96Å; W75-A286 HydrophobicContact CZ3-CB 4.2Å; F214-A286 HydrophobicContact CD1-CB 4.28Å; F214-A286 HydrophobicContact CE1-CB 4.07Å; L282-A286 PolarHBondContact O-N 2.87Å; V284-A286 PolarHBondContact O-N 3.06Å; V284-A286 VanDerWaalsContact O-N 3.09Å |
| 287 | Y | 98.3 | Very high | 96 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 2% | 0.02 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -102.6 | 144.3 | -168.1 | -74.9 | -94.4 | 0 | 0 | 0 | 113.6 | V24 M69 G72 I73 F236 L241 S283 V284 L285 P289 V290 | V24-Y287 WeakPolarHBondContact CG1-OH 3.35Å; M69-Y287 HydrophobicContact CE-CE1 4.41Å; M69-Y287 WeakPolarHBondContact CE-OH 3.48Å; M69-Y287 WeakPolarHBondContact O-CE1 3.41Å; M69-Y287 HydrophobicContact SD-CE1 4.44Å; G72-Y287 VanDerWaalsContact C-CD1 3.41Å; G72-Y287 WeakPolarHBondContact O-CA 3.25Å; G72-Y287 VanDerWaalsContact O-CD1 3.3Å; G72-Y287 WeakPolarHBondContact O-CD1 3.44Å; I73-Y287 HydrophobicContact CG1-CE1 4.08Å; F236-Y287 AromaticContact CD1-CD2 3.74Å; F236-Y287 HydrophobicContact CD1-CD2 3.74Å; F236-Y287 HydrophobicContact CD1-CE1 4.45Å; F236-Y287 AromaticContact CD1-CE2 3.33Å; F236-Y287 HydrophobicContact CD1-CE2 3.33Å; F236-Y287 HydrophobicContact CD1-CG 4.47Å; F236-Y287 AromaticContact CD1-CZ 3.74Å; F236-Y287 AromaticContact CE1-CD1 3.89Å; F236-Y287 HydrophobicContact CE1-CD1 3.89Å; F236-Y287 AromaticContact CE1-CD2 3.31Å; F236-Y287 HydrophobicContact CE1-CD2 3.31Å; F236-Y287 AromaticContact CE1-CE1 3.86Å; F236-Y287 HydrophobicContact CE1-CE1 3.86Å; F236-Y287 AromaticContact CE1-CE2 3.3Å; F236-Y287 HydrophobicContact CE1-CE2 3.3Å; F236-Y287 AromaticContact CE1-CG 3.63Å; F236-Y287 HydrophobicContact CE1-CG 3.63Å; F236-Y287 AromaticContact CE1-CZ 3.59Å; F236-Y287 HydrophobicContact CG-CE2 4.31Å; F236-Y287 HydrophobicContact CZ-CD1 4.47Å; F236-Y287 AromaticContact CZ-CD2 3.81Å; F236-Y287 HydrophobicContact CZ-CD2 3.81Å; F236-Y287 HydrophobicContact CZ-CE2 4.24Å; F236-Y287 AromaticContact CZ-CG 3.95Å; F236-Y287 HydrophobicContact CZ-CG 3.95Å; L241-Y287 HydrophobicContact CD1-CD1 3.62Å; L241-Y287 HydrophobicContact CD1-CE1 4.35Å; L241-Y287 HydrophobicContact CD1-CG 4.34Å; L241-Y287 HydrophobicContact CD2-CD1 4.03Å; L241-Y287 HydrophobicContact CD2-CE1 3.94Å; L241-Y287 HydrophobicContact CG-CD1 4.32Å; S283-Y287 WeakPolarHBondContact O-CD2 3.35Å; S283-Y287 WeakPolarHBondContact O-CE2 3.47Å; V284-Y287 PolarHBondContact O-N 3.39Å; L285-Y287 VanDerWaalsContact C-N 3.26Å; L285-Y287 PolarHBondContact O-N 2.94Å; Y287-P289 VanDerWaalsContact C-CD 3.41Å; Y287-V290 PolarHBondContact O-N 3.46Å |
| 288 | K | 97 | Very high | 96 | Very high | 97 Ų | 97 | 23.6 Ų | 23.6 | 42% | 0.422 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -40.4 | -175.1 | -70.2 | 170.5 | 178.6 | 166.6 | 0 | 115.7 | A71 G72 I73 K74 V76 V290 | A71-K288 PolarHBondContact O-NZ 3.25Å; G72-K288 WeakPolarHBondContact O-CG 3.45Å; G72-K288 PolarHBondContact O-N 3.25Å; I73-K288 VanDerWaalsContact O-CE 3.29Å; I73-K288 WeakPolarHBondContact O-CE 3.33Å; K74-K288 HydrophobicContact CB-CG 3.87Å; V76-K288 WeakPolarHBondContact O-CE 3.45Å; V76-K288 PolarHBondContact O-NZ 2.83Å; K288-V290 PolarHBondContact O-N 2.97Å |
| 289 | P | 97.3 | Very high | 95.9 | Very high | 10 Ų | 10 | 21.9 Ų | 21.9 | 7% | 0.065 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -21.8 | -176 | -21 | 34 | 0 | 0 | 0 | 113.7 | L241 L244 E245 K248 L254 Y287 | L241-P289 HydrophobicContact CD1-CG 4.22Å; L244-P289 HydrophobicContact CB-CB 4.15Å; L244-P289 HydrophobicContact CB-CG 4.38Å; E245-P289 HydrophobicContact CG-CG 3.6Å; K248-P289 HydrophobicContact CB-CB 4.15Å; K248-P289 HydrophobicContact CG-CB 4.41Å; L254-P289 WeakPolarHBondContact CB-O 3.48Å; L254-P289 HydrophobicContact CD2-CB 4.08Å; L254-P289 WeakPolarHBondContact CD2-O 3.27Å; Y287-P289 VanDerWaalsContact C-CD 3.41Å |
| 290 | V | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | trans | -89.1 | 126 | -168.6 | -178.8 | 0 | 0 | 0 | 0 | 111 | L244 V256 V284 L285 Y287 K288 V293 | L244-V290 HydrophobicContact CD1-CG2 3.75Å; V256-V290 HydrophobicContact CG2-CG1 4.02Å; V256-V290 HydrophobicContact CG2-CG2 3.92Å; V284-V290 HydrophobicContact CG1-CG1 4.03Å; V284-V290 HydrophobicContact CG1-CG2 3.9Å; L285-V290 HydrophobicContact CD2-CG1 4.41Å; Y287-V290 PolarHBondContact O-N 3.46Å; K288-V290 PolarHBondContact O-N 2.97Å; V290-V293 HydrophobicContact CG1-CG2 4.01Å | ||
| 291 | N | 97.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 10% | 0.096 | 14% | 0.138 | C | C | . | . | trans | -101.5 | -38.1 | 173.9 | -58.7 | 105.6 | 0 | 0 | 0 | 112.4 | E216 K248 Y253 L254 | E216-N291 PolarHBondContact OE2-ND2 3.01Å; K248-N291 PolarHBondContact NZ-OD1 3.39Å; Y253-N291 WeakPolarHBondContact CA-OD1 3.38Å; Y253-N291 HydrophobicContact CD1-CB 4.03Å; Y253-N291 HydrophobicContact CD2-CB 3.79Å; Y253-N291 HydrophobicContact CE1-CB 3.81Å; Y253-N291 HydrophobicContact CE2-CB 3.56Å; Y253-N291 HydrophobicContact CG-CB 4.02Å; L254-N291 PolarHBondContact N-OD1 3.36Å; L254-N291 PolarHBondContact O-N 3.42Å | ||
| 292 | E | 96.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 29 Ų | 29 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 156.3 | -177.3 | -169.5 | 57.1 | -80.6 | 0 | 0 | 112.3 | Y253 L254 I255 V256 | Y253-E292 HydrophobicContact CE1-CB 3.71Å; L254-E292 PolarHBondContact O-N 3.03Å; I255-E292 WeakPolarHBondContact CA-O 3.39Å; I255-E292 HydrophobicContact CG1-CB 4.17Å; I255-E292 HydrophobicContact CG2-CB 4.4Å; V256-E292 PolarHBondContact N-O 2.92Å |
| 293 | V | 97.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 30.6 Ų | 30.6 | 4% | 0.036 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 131.5 | 176.5 | 167.2 | 0 | 0 | 0 | 0 | 111.2 | V256 I258 V281 V284 L285 V290 F295 | V256-V293 HydrophobicContact CB-CG2 4.34Å; V256-V293 CarbonylContact O-C 3.6Å; V256-V293 VanDerWaalsContact O-CA 3.28Å; V256-V293 WeakPolarHBondContact O-CA 3.48Å; I258-V293 HydrophobicContact CB-CG1 4.39Å; I258-V293 HydrophobicContact CG1-CG1 3.49Å; I258-V293 VanDerWaalsContact CG1-CG1 3.49Å; V281-V293 HydrophobicContact CB-CG1 4.44Å; V281-V293 HydrophobicContact CG1-CG1 4.19Å; V281-V293 HydrophobicContact CG2-CG1 3.9Å; V284-V293 HydrophobicContact CB-CG2 4.41Å; V284-V293 HydrophobicContact CG1-CG2 3.77Å; L285-V293 HydrophobicContact CD2-CB 4.12Å; L285-V293 HydrophobicContact CD2-CG2 3.61Å; L285-V293 HydrophobicContact CG-CB 4.38Å; L285-V293 HydrophobicContact CG-CG2 3.83Å; V290-V293 HydrophobicContact CG1-CG2 4.01Å; V293-F295 HydrophobicContact CG1-CD2 4.18Å; V293-F295 HydrophobicContact CG1-CE2 4.27Å; V293-F295 WeakPolarHBondContact O-CD2 3.37Å |
| 294 | V | 96.2 | Very high | 95.7 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 116.2 | 168.6 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | Y228 I255 V256 I258 A297 F309 | Y228-V294 HydrophobicContact CE2-CG2 4.2Å; I255-V294 HydrophobicContact CG2-CG2 3.7Å; V256-V294 PolarHBondContact O-N 3.06Å; I258-V294 PolarHBondContact N-O 3.23Å; V294-A297 HydrophobicContact CG1-CB 4.16Å; V294-F309 HydrophobicContact CG2-CD2 4.46Å; V294-F309 HydrophobicContact CG2-CE2 3.62Å; V294-F309 HydrophobicContact CG2-CZ 3.77Å |
| 295 | F | 93.2 | Very high | 95.6 | Very high | 88 Ų | 88 | 36.9 Ų | 36.9 | 39% | 0.386 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.2 | 179.9 | -68.6 | -123 | 0 | 0 | 0 | 109.5 | I211 V281 V293 | I211-F295 HydrophobicContact CD1-CE1 3.89Å; I211-F295 HydrophobicContact CD1-CZ 3.99Å; I211-F295 HydrophobicContact CG1-CZ 4.39Å; I211-F295 HydrophobicContact CG2-CZ 4.02Å; V281-F295 HydrophobicContact CB-CE1 4.19Å; V281-F295 HydrophobicContact CB-CZ 4.38Å; V281-F295 HydrophobicContact CG1-CD1 4.39Å; V281-F295 HydrophobicContact CG1-CE1 3.61Å; V281-F295 HydrophobicContact CG1-CE2 3.96Å; V281-F295 HydrophobicContact CG1-CZ 3.37Å; V281-F295 HydrophobicContact CG2-CD1 3.78Å; V281-F295 HydrophobicContact CG2-CE1 3.83Å; V281-F295 HydrophobicContact CG2-CG 4.15Å; V281-F295 HydrophobicContact CG2-CZ 4.22Å; V293-F295 HydrophobicContact CG1-CD2 4.18Å; V293-F295 HydrophobicContact CG1-CE2 4.27Å; V293-F295 WeakPolarHBondContact O-CD2 3.37Å |
| 296 | G | 92 | Very high | 95.6 | Very high | 35 Ų | 35 | 36.8 Ų | 36.8 | 36% | 0.361 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.6 | 40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I258 I277 | I258-G296 CarbonylContact O-C 3.55Å; I258-G296 VanDerWaalsContact O-CA 3.26Å; I258-G296 WeakPolarHBondContact O-CA 3.38Å; I258-G296 PolarHBondContact O-N 3.36Å; I277-G296 VanDerWaalsContact CD1-N 3.32Å |
| 297 | A | 94.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | 140.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I258 L259 V294 | I258-A297 PolarHBondContact O-N 3.43Å; L259-A297 WeakPolarHBondContact CD2-O 3.34Å; V294-A297 HydrophobicContact CG1-CB 4.16Å |
| 298 | P | 92.5 | Very high | 95.4 | Very high | 51 Ų | 51 | 48 Ų | 48 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | trans | -62 | 155.3 | 173.5 | 28.3 | -34.4 | 0 | 0 | 0 | 110.5 | L259 E300 T302 I305 | L259-P298 VanDerWaalsContact CD2-O 3.32Å; L259-P298 WeakPolarHBondContact CD2-O 3.12Å; P298-E300 VanDerWaalsContact C-N 3.34Å; P298-E300 WeakPolarHBondContact CB-O 3.43Å; P298-E300 VanDerWaalsContact CG-O 3.26Å; P298-E300 WeakPolarHBondContact CG-O 3.33Å; P298-T302 HydrophobicContact CG-CG2 4.36Å; P298-I305 HydrophobicContact CG-CD1 3.35Å | ||
| 299 | Y | 91.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 46 Ų | 46 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -62.7 | -44.3 | 175.3 | -175.9 | -103.3 | 0 | 0 | 0 | 111.3 | L259 T263 Y267 L330 P335 | L259-Y299 HydrophobicContact CD1-CD2 4.35Å; T263-Y299 HydrophobicContact CG2-CD2 3.85Å; T263-Y299 HydrophobicContact CG2-CG 4.25Å; Y267-Y299 HydrophobicContact CD1-CD2 4.45Å; Y267-Y299 HydrophobicContact CD1-CE2 4.14Å; Y267-Y299 HydrophobicContact CG-CE2 4.46Å; Y299-L330 HydrophobicContact CD1-CB 4.32Å; Y299-L330 HydrophobicContact CD1-CD1 4.16Å; Y299-L330 HydrophobicContact CD1-CD2 4.03Å; Y299-L330 HydrophobicContact CD1-CG 4.4Å; Y299-L330 HydrophobicContact CD2-CD1 4.07Å; Y299-L330 HydrophobicContact CE1-CB 3.78Å; Y299-L330 HydrophobicContact CE1-CD1 4.23Å; Y299-L330 HydrophobicContact CE1-CD2 4.33Å; Y299-L330 HydrophobicContact CE1-CG 4.33Å; Y299-L330 HydrophobicContact CE2-CD1 4.13Å; Y299-L330 HydrophobicContact CG-CD1 4.08Å; Y299-P335 HydrophobicContact CD1-CB 4.17Å; Y299-P335 HydrophobicContact CE1-CB 4.02Å; Y299-P335 HydrophobicContact CE1-CG 4.17Å; Y299-P335 WeakPolarHBondContact O-CB 3.49Å |
| 300 | E | 93.5 | Very high | 95.2 | Very high | 97 Ų | 97 | 50.8 Ų | 50.8 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -87.9 | 135.8 | 174.2 | -64.2 | 174.6 | -106.5 | 0 | 0 | 110.5 | P298 T302 I333 | P298-E300 VanDerWaalsContact C-N 3.34Å; P298-E300 WeakPolarHBondContact CB-O 3.43Å; P298-E300 VanDerWaalsContact CG-O 3.26Å; P298-E300 WeakPolarHBondContact CG-O 3.33Å; E300-T302 PolarHBondContact O-N 3.4Å; E300-I333 HydrophobicContact CG-CG2 3.39Å; E300-I333 WeakPolarHBondContact OE2-CG2 3.29Å |
| 301 | I | 94.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | trans | -76 | 109.8 | 173.8 | -60.2 | 179 | 0 | 0 | 0 | 108.1 | Y228 T230 L306 V314 P335 F336 E338 | Y228-I301 HydrophobicContact CD1-CD1 4.1Å; Y228-I301 HydrophobicContact CE1-CD1 4Å; Y228-I301 HydrophobicContact CE1-CG1 4.07Å; T230-I301 HydrophobicContact CG2-CD1 4.09Å; T230-I301 HydrophobicContact CG2-CG1 4.18Å; I301-L306 HydrophobicContact CG2-CD1 4.08Å; I301-L306 HydrophobicContact CG2-CD2 3.64Å; I301-L306 HydrophobicContact CG2-CG 3.82Å; I301-V314 HydrophobicContact CD1-CG1 3.43Å; I301-V314 VanDerWaalsContact CD1-CG1 3.43Å; I301-P335 WeakPolarHBondContact CB-O 3.48Å; I301-P335 PolarHBondContact N-O 2.85Å; I301-F336 HydrophobicContact CD1-CD1 3.55Å; I301-F336 HydrophobicContact CD1-CE1 3.77Å; I301-E338 WeakPolarHBondContact O-CB 3.34Å | ||
| 302 | T | 95.2 | Very high | 95.2 | Very high | 52 Ų | 52 | 53.2 Ų | 53.2 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | trans | -87.7 | 156.7 | -177.9 | 65 | 0 | 0 | 0 | 0 | 111.9 | P298 E300 D304 I305 L306 | P298-T302 HydrophobicContact CG-CG2 4.36Å; E300-T302 PolarHBondContact O-N 3.4Å; T302-D304 PolarHBondContact O-N 3.21Å; T302-I305 PolarHBondContact O-N 3.48Å; T302-I305 PolarHBondContact OG1-N 3.14Å; T302-L306 WeakPolarHBondContact O-CG 3.2Å; T302-L306 PolarHBondContact O-N 3.42Å | ||
| 303 | S | 96.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.5 | -41.1 | 170.4 | -71.1 | 0 | 0 | 0 | 0 | 112.1 | I305 L306 D307 E338 R342 | S303-I305 VanDerWaalsContact C-N 3.31Å; S303-I305 PolarHBondContact O-N 3.1Å; S303-L306 PolarHBondContact O-N 2.74Å; S303-L306 VanDerWaalsContact O-N 3.1Å; S303-D307 WeakPolarHBondContact O-CB 3.32Å; S303-D307 VanDerWaalsContact O-CG 3.23Å; S303-D307 PolarHBondContact O-N 2.78Å; S303-E338 VanDerWaalsContact OG-CD 3.27Å; S303-E338 PolarHBondContact OG-OE1 2.79Å; S303-R342 VanDerWaalsContact CA-NH2 3.3Å; S303-R342 PolarHBondContact OG-NH2 3.4Å |
| 304 | D | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 49.9 Ų | 49.9 | 64% | 0.642 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -57.3 | -41.9 | -178.7 | -59.3 | -29.1 | 0 | 0 | 0 | 112.3 | T302 Q308 | T302-D304 PolarHBondContact O-N 3.21Å; D304-Q308 WeakPolarHBondContact O-CB 3.34Å; D304-Q308 PolarHBondContact O-N 2.9Å |
| 305 | I | 95.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.077 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.5 | -44.9 | 176.9 | -71.5 | 177.2 | 0 | 0 | 0 | 110.8 | Y228 P298 T302 S303 D307 F309 | Y228-I305 HydrophobicContact CD2-CG2 4.38Å; Y228-I305 HydrophobicContact CE1-CG2 4.44Å; Y228-I305 HydrophobicContact CE2-CG2 3.97Å; P298-I305 HydrophobicContact CG-CD1 3.35Å; T302-I305 PolarHBondContact O-N 3.48Å; T302-I305 PolarHBondContact OG1-N 3.14Å; S303-I305 VanDerWaalsContact C-N 3.31Å; S303-I305 PolarHBondContact O-N 3.1Å; I305-D307 VanDerWaalsContact C-N 3.31Å; I305-D307 PolarHBondContact O-N 2.92Å; I305-F309 HydrophobicContact CG2-CD2 4.11Å; I305-F309 HydrophobicContact CG2-CE2 4.49Å; I305-F309 WeakPolarHBondContact O-CD2 3.43Å; I305-F309 PolarHBondContact O-N 3.26Å |
| 306 | L | 97.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -40.1 | -179.2 | -62 | 178 | 0 | 0 | 0 | 111.5 | I301 T302 S303 N310 V311 V314 E338 I344 | I301-L306 HydrophobicContact CG2-CD1 4.08Å; I301-L306 HydrophobicContact CG2-CD2 3.64Å; I301-L306 HydrophobicContact CG2-CG 3.82Å; T302-L306 WeakPolarHBondContact O-CG 3.2Å; T302-L306 PolarHBondContact O-N 3.42Å; S303-L306 PolarHBondContact O-N 2.74Å; S303-L306 VanDerWaalsContact O-N 3.1Å; L306-N310 CarbonylContact O-C 3.53Å; L306-N310 WeakPolarHBondContact O-CA 3.28Å; L306-N310 PolarHBondContact O-N 2.82Å; L306-N310 VanDerWaalsContact O-N 3.1Å; L306-V311 HydrophobicContact CD2-CB 3.77Å; L306-V311 HydrophobicContact CD2-CG1 3.84Å; L306-V311 HydrophobicContact CD2-CG2 4.11Å; L306-V311 PolarHBondContact O-N 2.8Å; L306-V314 HydrophobicContact CD2-CG2 3.7Å; L306-E338 HydrophobicContact CD1-CG 3.77Å; L306-I344 HydrophobicContact CD1-CD1 4.36Å; L306-I344 HydrophobicContact CD2-CD1 4.28Å |
| 307 | D | 96.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 46.5 Ų | 46.5 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -77.9 | -42.8 | -178.5 | -64.9 | -36 | 0 | 0 | 0 | 111.6 | S303 I305 F309 N310 R342 | S303-D307 WeakPolarHBondContact O-CB 3.32Å; S303-D307 VanDerWaalsContact O-CG 3.23Å; S303-D307 PolarHBondContact O-N 2.78Å; I305-D307 VanDerWaalsContact C-N 3.31Å; I305-D307 PolarHBondContact O-N 2.92Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact O-N 3.38Å; D307-N310 PolarHBondContact O-N 3.46Å; D307-R342 IonicContact OD1-CZ 3.35Å; D307-R342 IonicContact OD1-NH1 2.68Å; D307-R342 PolarHBondContact OD1-NH1 3.31Å; D307-R342 IonicContact OD1-NH2 3.82Å; D307-R342 PolarHBondContact OD1-NH2 2.87Å; D307-R342 IonicContact OD2-CZ 3.46Å; D307-R342 IonicContact OD2-NH1 3.74Å; D307-R342 IonicContact OD2-NH2 2.73Å; D307-R342 PolarHBondContact OD2-NH2 3.36Å |
| 308 | Q | 94.9 | Very high | 95.1 | Very high | 146 Ų | 146 | 50 Ų | 50 | 68% | 0.682 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59 | -42.7 | 178.7 | 176.2 | 178.5 | -21 | 0 | 0 | 112.3 | D304 | D304-Q308 WeakPolarHBondContact O-CB 3.34Å; D304-Q308 PolarHBondContact O-N 2.9Å |
| 309 | F | 94.6 | Very high | 94 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 24% | 0.237 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 1.7 | -179.4 | -64.7 | -69 | 0 | 0 | 0 | 113.5 | I255 V294 I305 D307 V311 | I255-F309 HydrophobicContact CD1-CB 3.69Å; I255-F309 HydrophobicContact CD1-CD1 3.65Å; I255-F309 HydrophobicContact CD1-CE1 4.42Å; I255-F309 HydrophobicContact CD1-CG 3.7Å; V294-F309 HydrophobicContact CG2-CD2 4.46Å; V294-F309 HydrophobicContact CG2-CE2 3.62Å; V294-F309 HydrophobicContact CG2-CZ 3.77Å; I305-F309 HydrophobicContact CG2-CD2 4.11Å; I305-F309 HydrophobicContact CG2-CE2 4.49Å; I305-F309 WeakPolarHBondContact O-CD2 3.43Å; I305-F309 PolarHBondContact O-N 3.26Å; D307-F309 VanDerWaalsContact C-N 3.33Å; D307-F309 PolarHBondContact O-N 3.38Å; F309-V311 HydrophobicContact CB-CG2 3.9Å; F309-V311 PolarHBondContact O-N 3.41Å |
| 310 | N | 96.1 | Very high | 92.5 | Very high | 110 Ų | 110 | 56.1 Ų | 56.1 | 59% | 0.588 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 58.7 | -173.8 | -177.1 | 33.6 | 0 | 0 | 0 | 110.7 | L306 D307 Q312 | L306-N310 CarbonylContact O-C 3.53Å; L306-N310 WeakPolarHBondContact O-CA 3.28Å; L306-N310 PolarHBondContact O-N 2.82Å; L306-N310 VanDerWaalsContact O-N 3.1Å; D307-N310 PolarHBondContact O-N 3.46Å; N310-Q312 PolarHBondContact ND2-NE2 3.43Å; N310-Q312 PolarHBondContact O-NE2 3.05Å; N310-Q312 PolarHBondContact O-OE1 2.82Å; N310-Q312 PolarHBondContact OD1-NE2 2.9Å; N310-Q312 VanDerWaalsContact OD1-NE2 3.11Å |
| 311 | V | 97.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | trans | -75.8 | 127.3 | -176.2 | 176.9 | 0 | 0 | 0 | 0 | 110.3 | V226 L306 F309 A313 V314 I344 | V226-V311 HydrophobicContact CG1-CG2 4.33Å; L306-V311 HydrophobicContact CD2-CB 3.77Å; L306-V311 HydrophobicContact CD2-CG1 3.84Å; L306-V311 HydrophobicContact CD2-CG2 4.11Å; L306-V311 PolarHBondContact O-N 2.8Å; F309-V311 HydrophobicContact CB-CG2 3.9Å; F309-V311 PolarHBondContact O-N 3.41Å; V311-A313 WeakPolarHBondContact CG1-O 3.47Å; V311-V314 HydrophobicContact CG1-CG2 3.92Å; V311-I344 HydrophobicContact CG1-CD1 4.49Å | ||
| 312 | Q | 98 | Very high | 87.8 | Confident | 59 Ų | 59 | 65.5 Ų | 65.5 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | trans | -103.9 | -13.2 | 175.8 | -65.9 | 83.9 | 26.6 | 0 | 0 | 114.2 | K225 V226 N310 I344 | K225-Q312 HydrophobicContact CG-CB 3.9Å; K225-Q312 HydrophobicContact CG-CG 4.49Å; V226-Q312 PolarHBondContact O-N 3.29Å; V226-Q312 PolarHBondContact O-OE1 3.13Å; N310-Q312 PolarHBondContact ND2-NE2 3.43Å; N310-Q312 PolarHBondContact O-NE2 3.05Å; N310-Q312 PolarHBondContact O-OE1 2.82Å; N310-Q312 PolarHBondContact OD1-NE2 2.9Å; N310-Q312 VanDerWaalsContact OD1-NE2 3.11Å; Q312-I344 WeakPolarHBondContact O-CB 3.03Å; Q312-I344 WeakPolarHBondContact O-CG2 3.4Å | ||
| 313 | A | 98.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 134.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.9 | V226 V227 Y228 F250 V311 I315 I344 | V226-A313 PolarHBondContact O-N 3Å; V227-A313 CarbonylContact C-O 3.56Å; V227-A313 WeakPolarHBondContact CA-O 3.48Å; V227-A313 HydrophobicContact CG1-CB 4.43Å; V227-A313 HydrophobicContact CG2-CB 4.39Å; Y228-A313 PolarHBondContact N-O 3.48Å; F250-A313 HydrophobicContact CB-CB 4.39Å; V311-A313 WeakPolarHBondContact CG1-O 3.47Å; A313-I315 HydrophobicContact CB-CD1 4.09Å; A313-I344 CarbonylContact C-O 3.59Å; A313-I344 WeakPolarHBondContact CA-O 3.32Å |
| 314 | V | 98.4 | Very high | 82.8 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.4 | 172.1 | 174.8 | 0 | 0 | 0 | 0 | 108 | Y228 I301 L306 V311 F336 A339 I344 Y345 H346 | Y228-V314 VanDerWaalsContact O-CA 3.3Å; Y228-V314 WeakPolarHBondContact O-CA 3.39Å; I301-V314 HydrophobicContact CD1-CG1 3.43Å; I301-V314 VanDerWaalsContact CD1-CG1 3.43Å; L306-V314 HydrophobicContact CD2-CG2 3.7Å; V311-V314 HydrophobicContact CG1-CG2 3.92Å; V314-F336 HydrophobicContact CG1-CD1 3.9Å; V314-F336 HydrophobicContact CG1-CE1 4.22Å; V314-A339 HydrophobicContact CB-CB 3.74Å; V314-A339 HydrophobicContact CG1-CB 3.96Å; V314-A339 HydrophobicContact CG2-CB 3.69Å; V314-I344 HydrophobicContact CG2-CD1 4.18Å; V314-I344 HydrophobicContact CG2-CG1 4.37Å; V314-I344 PolarHBondContact N-O 3.37Å; V314-Y345 HydrophobicContact CG1-CD2 4.4Å; V314-Y345 WeakPolarHBondContact O-CA 3.44Å; V314-H346 PolarHBondContact O-N 2.92Å |
| 315 | I | 97.9 | Very high | 80.2 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.005 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.8 | -175.1 | -42.2 | -60.3 | 0 | 0 | 0 | 109.9 | V227 Y228 V229 F243 A247 F250 A313 H346 V348 | V227-I315 HydrophobicContact CG1-CD1 4.3Å; V227-I315 HydrophobicContact CG1-CG1 3.47Å; V227-I315 VanDerWaalsContact CG1-CG1 3.47Å; Y228-I315 PolarHBondContact O-N 3.37Å; V229-I315 HydrophobicContact CG1-CB 3.85Å; V229-I315 HydrophobicContact CG1-CG1 4.45Å; V229-I315 WeakPolarHBondContact CG1-O 3.3Å; F243-I315 HydrophobicContact CE2-CG2 4.12Å; A247-I315 HydrophobicContact CB-CB 4.03Å; A247-I315 HydrophobicContact CB-CG1 4.12Å; A247-I315 HydrophobicContact CB-CG2 4.13Å; F250-I315 HydrophobicContact CB-CD1 3.88Å; F250-I315 HydrophobicContact CB-CG1 4.38Å; F250-I315 HydrophobicContact CD1-CD1 3.57Å; F250-I315 HydrophobicContact CD2-CD1 3.86Å; F250-I315 HydrophobicContact CD2-CG1 4.34Å; F250-I315 HydrophobicContact CE1-CD1 4.02Å; F250-I315 HydrophobicContact CE2-CD1 4.31Å; F250-I315 HydrophobicContact CG-CD1 3.47Å; F250-I315 VanDerWaalsContact CG-CD1 3.47Å; F250-I315 HydrophobicContact CG-CG1 4.25Å; F250-I315 HydrophobicContact CZ-CD1 4.37Å; A313-I315 HydrophobicContact CB-CD1 4.09Å; I315-H346 WeakPolarHBondContact CA-O 3.13Å; I315-H346 HydrophobicContact CD1-CB 3.74Å; I315-V348 HydrophobicContact CG2-CB 4.25Å; I315-V348 HydrophobicContact CG2-CG1 3.69Å; I315-V348 HydrophobicContact CG2-CG2 3.56Å |
| 316 | N | 95.7 | Very high | 78.1 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 23% | 0.23 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 143.9 | 170.4 | -174.5 | 38.3 | 0 | 0 | 0 | 110.6 | F336 Y345 H346 E347 V348 | N316-F336 HydrophobicContact CB-CE1 3.91Å; N316-F336 HydrophobicContact CB-CE2 4.18Å; N316-F336 HydrophobicContact CB-CZ 3.7Å; N316-F336 VanDerWaalsContact CG-CZ 3.43Å; N316-F336 WeakPolarHBondContact OD1-CZ 3.06Å; N316-Y345 HydrophobicContact CB-CE2 3.7Å; N316-Y345 WeakPolarHBondContact CB-OH 3.24Å; N316-Y345 PolarHBondContact ND2-OH 3.08Å; N316-H346 PolarHBondContact N-O 3.18Å; N316-E347 WeakPolarHBondContact O-CA 3.33Å; N316-V348 PolarHBondContact O-N 3.02Å |
| 317 | G | 91 | Very high | 75.8 | Confident | 31 Ų | 31 | 78.2 Ų | 78.2 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | F243 V348 | F243-G317 VanDerWaalsContact CE2-N 3.27Å; G317-V348 WeakPolarHBondContact CA-O 3.23Å |
| 318 | F | 85.3 | Confident | 73.9 | Confident | 74 Ų | 74 | 75 Ų | 75 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 167 | 169.4 | 72.3 | -83.8 | 0 | 0 | 0 | 111 | E347 V348 D349 | F318-E347 HydrophobicContact CD1-CB 3.8Å; F318-E347 HydrophobicContact CE1-CB 4.18Å; F318-V348 VanDerWaalsContact CD1-C 3.48Å; F318-V348 WeakPolarHBondContact CD1-O 3.36Å; F318-V348 PolarHBondContact N-O 2.85Å; F318-V348 VanDerWaalsContact N-O 3.14Å; F318-D349 HydrophobicContact CE1-CB 4.05Å; F318-D349 VanDerWaalsContact CE1-N 3.34Å; F318-D349 HydrophobicContact CE2-CB 4.3Å; F318-D349 HydrophobicContact CZ-CB 3.8Å |
| 319 | R | 70.9 | Confident | 72.3 | Confident | 89 Ų | 89 | 73.2 Ų | 73.2 | 34% | 0.336 | 42% | 0.417 | S | S | . | . | trans | -139.9 | 133.9 | 174.7 | -58.6 | 178 | -170.8 | -139.4 | -0.7 | 108 | N321 D353 M354 T355 | R319-N321 PolarHBondContact O-N 2.88Å; R319-N321 VanDerWaalsContact O-N 3.09Å; R319-D353 PolarHBondContact NH1-O 2.8Å; R319-M354 PolarHBondContact NH1-O 3.38Å; R319-M354 PolarHBondContact NH2-O 3.4Å; R319-T355 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 320 | D | 59.2 | Low | 71 | Confident | 134 Ų | 134 | 71.7 Ų | 71.7 | 72% | 0.717 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -62.6 | -19.2 | -178.9 | -72.9 | -16.4 | 0 | 0 | 0 | 113.1 | N322 | D320-N322 PolarHBondContact O-N 3.2Š|
| 321 | N | 50.6 | Low | 69.5 | Low | 157 Ų | 157 | 69.6 Ų | 69.6 | 84% | 0.84 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -97.1 | 75.8 | 177.1 | -65.5 | -27.9 | 0 | 0 | 0 | 111.2 | R319 S323 | R319-N321 PolarHBondContact O-N 2.88Å; R319-N321 VanDerWaalsContact O-N 3.09Å; N321-S323 PolarHBondContact O-N 3.3Å |
| 322 | N | 39.7 | Very low | 68.4 | Low | 142 Ų | 142 | 74.4 Ų | 74.4 | 76% | 0.759 | 44% | 0.444 | S | S | * | . | trans | -74.3 | 103.7 | -175.8 | -140.5 | -3.4 | 0 | 0 | 0 | 111.8 | D320 | D320-N322 PolarHBondContact O-N 3.2Š| ||
| 323 | S | 39.4 | Very low | 67.7 | Low | 110 Ų | 110 | 74.1 Ų | 74.1 | 77% | 0.769 | 44% | 0.444 | S | S | * | . | trans | -165.5 | 53.3 | 160.2 | -81.3 | 0 | 0 | 0 | 0 | 112 | N321 V325 | N321-S323 PolarHBondContact O-N 3.3Å; S323-V325 PolarHBondContact O-N 2.93Å | ||
| 324 | S | 45.7 | Very low | 67.3 | Low | 101 Ų | 101 | 77.1 Ų | 77.1 | 71% | 0.706 | 46% | 0.46 | S | S | * | . | trans | -81.7 | 96.3 | 153.9 | 48.7 | 0 | 0 | 0 | 0 | 107.7 | V326 | S324-V326 PolarHBondContact O-N 3.46Š| ||
| 325 | V | 42.7 | Very low | 67 | Low | 104 Ų | 104 | 78.2 Ų | 78.2 | 63% | 0.63 | 47% | 0.467 | S | S | * | . | trans | -63.1 | 105.1 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | S323 N327 | S323-V325 PolarHBondContact O-N 2.93Å; V325-N327 VanDerWaalsContact C-N 3.33Å; V325-N327 VanDerWaalsContact CG1-OD1 3.25Å; V325-N327 WeakPolarHBondContact CG1-OD1 3.24Å; V325-N327 PolarHBondContact O-N 2.97Å | ||
| 326 | V | 50.6 | Low | 66.9 | Low | 52 Ų | 52 | 79.1 Ų | 79.1 | 32% | 0.315 | 47% | 0.471 | S | S | . | . | trans | -70.4 | 94.5 | 170.4 | -176.9 | 0 | 0 | 0 | 0 | 107 | S324 S328 A331 | S324-V326 PolarHBondContact O-N 3.46Å; V326-S328 PolarHBondContact O-N 3.19Å; V326-A331 HydrophobicContact CB-CB 4.2Å; V326-A331 HydrophobicContact CG1-CB 4.09Å | ||
| 327 | N | 49 | Very low | 66.8 | Low | 128 Ų | 128 | 79.5 Ų | 79.5 | 68% | 0.684 | 48% | 0.48 | S | S | * | . | trans | -81.2 | 62.4 | 178.3 | -81.6 | -34 | 0 | 0 | 0 | 110.2 | V325 | V325-N327 VanDerWaalsContact C-N 3.33Å; V325-N327 VanDerWaalsContact CG1-OD1 3.25Å; V325-N327 WeakPolarHBondContact CG1-OD1 3.24Å; V325-N327 PolarHBondContact O-N 2.97Å | ||
| 328 | S | 57.1 | Low | 67.1 | Low | 30 Ų | 30 | 79.6 Ų | 79.6 | 21% | 0.21 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -162.3 | 167.2 | 177.1 | 74.1 | 0 | 0 | 0 | 0 | 114.4 | Q266 V326 L330 A331 | Q266-S328 VanDerWaalsContact O-CB 3.3Å; Q266-S328 WeakPolarHBondContact O-CB 3.11Å; V326-S328 PolarHBondContact O-N 3.19Å; S328-L330 PolarHBondContact O-N 3.04Å; S328-L330 WeakPolarHBondContact OG-CB 3.37Å; S328-L330 PolarHBondContact OG-N 2.89Å; S328-A331 WeakPolarHBondContact O-CB 3.33Å; S328-A331 PolarHBondContact O-N 3.2Å |
| 329 | S | 60.3 | Low | 67.7 | Low | 107 Ų | 107 | 76.1 Ų | 76.1 | 75% | 0.748 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -54.2 | -12.7 | 167.9 | 54.4 | 0 | 0 | 0 | 0 | 114.1 | A331 | S329-A331 VanDerWaalsContact C-N 3.32Š|
| 330 | L | 67.3 | Low | 68.9 | Low | 22 Ų | 22 | 76.1 Ų | 76.1 | 12% | 0.115 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -82.3 | -8.9 | 176.9 | -57.1 | 171.6 | 0 | 0 | 0 | 112.7 | Y299 S328 S332 I333 | Y299-L330 HydrophobicContact CD1-CB 4.32Å; Y299-L330 HydrophobicContact CD1-CD1 4.16Å; Y299-L330 HydrophobicContact CD1-CD2 4.03Å; Y299-L330 HydrophobicContact CD1-CG 4.4Å; Y299-L330 HydrophobicContact CD2-CD1 4.07Å; Y299-L330 HydrophobicContact CE1-CB 3.78Å; Y299-L330 HydrophobicContact CE1-CD1 4.23Å; Y299-L330 HydrophobicContact CE1-CD2 4.33Å; Y299-L330 HydrophobicContact CE1-CG 4.33Å; Y299-L330 HydrophobicContact CE2-CD1 4.13Å; Y299-L330 HydrophobicContact CG-CD1 4.08Å; S328-L330 PolarHBondContact O-N 3.04Å; S328-L330 WeakPolarHBondContact OG-CB 3.37Å; S328-L330 PolarHBondContact OG-N 2.89Å; L330-S332 PolarHBondContact O-N 2.79Å; L330-I333 HydrophobicContact CD2-CD1 3.97Å; L330-I333 PolarHBondContact O-N 3.4Å; L330-I333 VanDerWaalsContact O-N 3.09Å |
| 331 | A | 65.6 | Low | 70.7 | Confident | 67 Ų | 67 | 78 Ų | 78 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -61.9 | -24.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | V326 S328 S329 | V326-A331 HydrophobicContact CB-CB 4.2Å; V326-A331 HydrophobicContact CG1-CB 4.09Å; S328-A331 WeakPolarHBondContact O-CB 3.33Å; S328-A331 PolarHBondContact O-N 3.2Å; S329-A331 VanDerWaalsContact C-N 3.32Å |
| 332 | S | 74.3 | Confident | 73 | Confident | 112 Ų | 112 | 74.2 Ų | 74.2 | 78% | 0.783 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -88.3 | -4.5 | 178.2 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | L330 | L330-S332 PolarHBondContact O-N 2.79Š|
| 333 | I | 82.8 | Confident | 75.7 | Confident | 53 Ų | 53 | 70.4 Ų | 70.4 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | trans | -101.4 | 125.5 | -175.5 | -60.1 | 178.1 | 0 | 0 | 0 | 107.8 | E300 L330 P335 | E300-I333 HydrophobicContact CG-CG2 3.39Å; E300-I333 WeakPolarHBondContact OE2-CG2 3.29Å; L330-I333 HydrophobicContact CD2-CD1 3.97Å; L330-I333 PolarHBondContact O-N 3.4Å; L330-I333 VanDerWaalsContact O-N 3.09Å; I333-P335 WeakPolarHBondContact O-CD 3.42Å | ||
| 334 | D | 90 | Very high | 78.5 | Confident | 63 Ų | 63 | 66.5 Ų | 66.5 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | trans | -85.4 | 101.6 | 168.2 | 177.3 | 8.5 | 0 | 0 | 0 | 108.8 | F336 A337 K340 | D334-F336 PolarHBondContact O-N 3.36Å; D334-F336 PolarHBondContact OD1-N 2.79Å; D334-F336 VanDerWaalsContact OD1-N 3.08Å; D334-A337 HydrophobicContact CB-CB 4.17Å; D334-A337 WeakPolarHBondContact O-CB 3.14Å; D334-A337 PolarHBondContact O-N 3.37Å; D334-K340 IonicContact OD1-NZ 3.05Å; D334-K340 PolarHBondContact OD1-NZ 2.74Å; D334-K340 WeakPolarHBondContact OD2-CD 3.32Å; D334-K340 IonicContact OD2-NZ 2.7Å; D334-K340 PolarHBondContact OD2-NZ 3.06Å | ||
| 335 | P | 92 | Very high | 81 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 15% | 0.149 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -13.4 | -176.4 | 26.9 | -34.5 | 0 | 0 | 0 | 113.2 | Y299 I301 I333 | Y299-P335 HydrophobicContact CD1-CB 4.17Å; Y299-P335 HydrophobicContact CE1-CB 4.02Å; Y299-P335 HydrophobicContact CE1-CG 4.17Å; Y299-P335 WeakPolarHBondContact O-CB 3.49Å; I301-P335 WeakPolarHBondContact CB-O 3.48Å; I301-P335 PolarHBondContact N-O 2.85Å; I333-P335 WeakPolarHBondContact O-CD 3.42Å |
| 336 | F | 95 | Very high | 83.6 | Confident | 20 Ų | 20 | 62 Ų | 62 | 9% | 0.088 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 6 | -179.9 | -57 | -80.2 | 0 | 0 | 0 | 113.3 | T230 I301 V314 N316 D334 E338 A339 K340 Y345 | T230-F336 HydrophobicContact CG2-CE1 4.48Å; I301-F336 HydrophobicContact CD1-CD1 3.55Å; I301-F336 HydrophobicContact CD1-CE1 3.77Å; V314-F336 HydrophobicContact CG1-CD1 3.9Å; V314-F336 HydrophobicContact CG1-CE1 4.22Å; N316-F336 HydrophobicContact CB-CE1 3.91Å; N316-F336 HydrophobicContact CB-CE2 4.18Å; N316-F336 HydrophobicContact CB-CZ 3.7Å; N316-F336 VanDerWaalsContact CG-CZ 3.43Å; N316-F336 WeakPolarHBondContact OD1-CZ 3.06Å; D334-F336 PolarHBondContact O-N 3.36Å; D334-F336 PolarHBondContact OD1-N 2.79Å; D334-F336 VanDerWaalsContact OD1-N 3.08Å; F336-E338 VanDerWaalsContact C-N 3.27Å; F336-E338 PolarHBondContact O-N 2.77Å; F336-A339 PolarHBondContact O-N 2.74Å; F336-A339 VanDerWaalsContact O-N 3.11Å; F336-K340 HydrophobicContact CB-CD 4.46Å; F336-K340 WeakPolarHBondContact O-CG 3.05Å; F336-K340 PolarHBondContact O-N 3.24Å; F336-Y345 HydrophobicContact CB-CD2 3.69Å; F336-Y345 HydrophobicContact CB-CE2 3.58Å; F336-Y345 AromaticContact CD1-CD2 3.83Å; F336-Y345 HydrophobicContact CD1-CD2 3.83Å; F336-Y345 AromaticContact CD1-CE2 3.5Å; F336-Y345 HydrophobicContact CD1-CE2 3.5Å; F336-Y345 VanDerWaalsContact CD1-CE2 3.5Å; F336-Y345 AromaticContact CD2-CE2 3.94Å; F336-Y345 HydrophobicContact CD2-CE2 3.94Å; F336-Y345 HydrophobicContact CE1-CE2 4.13Å; F336-Y345 AromaticContact CG-CD2 3.9Å; F336-Y345 HydrophobicContact CG-CD2 3.9Å; F336-Y345 AromaticContact CG-CE2 3.39Å; F336-Y345 HydrophobicContact CG-CE2 3.39Å |
| 337 | A | 95.3 | Very high | 85.8 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -52.6 | -43.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113 | D334 K340 R341 | D334-A337 HydrophobicContact CB-CB 4.17Å; D334-A337 WeakPolarHBondContact O-CB 3.14Å; D334-A337 PolarHBondContact O-N 3.37Å; A337-K340 PolarHBondContact O-N 2.86Å; A337-R341 WeakPolarHBondContact O-CB 3.29Å; A337-R341 PolarHBondContact O-N 3.21Å |
| 338 | E | 96.5 | Very high | 87.9 | Confident | 33 Ų | 33 | 59.2 Ų | 59.2 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.8 | -41.7 | -179.8 | -179.3 | 55.1 | -155.2 | 0 | 0 | 112.5 | I301 S303 L306 F336 K340 R341 R342 | I301-E338 WeakPolarHBondContact O-CB 3.34Å; S303-E338 VanDerWaalsContact OG-CD 3.27Å; S303-E338 PolarHBondContact OG-OE1 2.79Å; L306-E338 HydrophobicContact CD1-CG 3.77Å; F336-E338 VanDerWaalsContact C-N 3.27Å; F336-E338 PolarHBondContact O-N 2.77Å; E338-K340 VanDerWaalsContact C-N 3.33Å; E338-K340 PolarHBondContact O-N 3.33Å; E338-R341 WeakPolarHBondContact O-CB 3.48Å; E338-R341 PolarHBondContact O-N 2.77Å; E338-R341 IonicContact OE1-CZ 3.45Å; E338-R341 IonicContact OE1-NE 3.48Å; E338-R341 PolarHBondContact OE1-NE 2.84Å; E338-R341 IonicContact OE1-NH2 2.65Å; E338-R341 PolarHBondContact OE1-NH2 2.8Å; E338-R341 IonicContact OE2-CZ 3.45Å; E338-R341 IonicContact OE2-NE 2.77Å; E338-R341 PolarHBondContact OE2-NE 3.38Å; E338-R341 IonicContact OE2-NH2 3.3Å; E338-R341 PolarHBondContact OE2-NH2 2.91Å; E338-R342 WeakPolarHBondContact O-CG 3.44Å; E338-R342 PolarHBondContact O-N 2.95Å; E338-R342 IonicContact OE1-CZ 3.52Å; E338-R342 IonicContact OE1-NE 3.92Å; E338-R342 PolarHBondContact OE1-NE 3.33Å; E338-R342 IonicContact OE1-NH2 3.49Å; E338-R342 PolarHBondContact OE1-NH2 2.88Å |
| 339 | A | 97.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V314 F336 R342 G343 I344 Y345 | V314-A339 HydrophobicContact CB-CB 3.74Å; V314-A339 HydrophobicContact CG1-CB 3.96Å; V314-A339 HydrophobicContact CG2-CB 3.69Å; F336-A339 PolarHBondContact O-N 2.74Å; F336-A339 VanDerWaalsContact O-N 3.11Å; A339-R342 PolarHBondContact O-N 3.49Å; A339-G343 PolarHBondContact O-N 2.86Å; A339-I344 HydrophobicContact CB-CG1 4.26Å; A339-I344 WeakPolarHBondContact O-CG1 3.35Å; A339-I344 PolarHBondContact O-N 3.45Å; A339-I344 VanDerWaalsContact O-N 3.09Å; A339-Y345 PolarHBondContact O-N 2.87Å |
| 340 | K | 97.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 57.2 Ų | 57.2 | 39% | 0.387 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 173.8 | -70.4 | 170.6 | -176.4 | 167 | 0 | 111.2 | D334 F336 A337 E338 R342 G343 Y345 | D334-K340 IonicContact OD1-NZ 3.05Å; D334-K340 PolarHBondContact OD1-NZ 2.74Å; D334-K340 WeakPolarHBondContact OD2-CD 3.32Å; D334-K340 IonicContact OD2-NZ 2.7Å; D334-K340 PolarHBondContact OD2-NZ 3.06Å; F336-K340 HydrophobicContact CB-CD 4.46Å; F336-K340 WeakPolarHBondContact O-CG 3.05Å; F336-K340 PolarHBondContact O-N 3.24Å; A337-K340 PolarHBondContact O-N 2.86Å; E338-K340 VanDerWaalsContact C-N 3.33Å; E338-K340 PolarHBondContact O-N 3.33Å; K340-R342 PolarHBondContact O-N 3.34Å; K340-G343 PolarHBondContact O-N 3.4Å; K340-Y345 HydrophobicContact CD-CD1 4.37Å; K340-Y345 HydrophobicContact CG-CD1 3.75Å; K340-Y345 HydrophobicContact CG-CD2 4.35Å; K340-Y345 HydrophobicContact CG-CE1 4.47Å; K340-Y345 HydrophobicContact CG-CG 3.67Å |
| 341 | R | 97.2 | Very high | 92.5 | Very high | 174 Ų | 174 | 59.4 Ų | 59.4 | 66% | 0.657 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.9 | -36.9 | 176.2 | -170.5 | -174 | 72.4 | 86.5 | -1.2 | 112.3 | A337 E338 G343 | A337-R341 WeakPolarHBondContact O-CB 3.29Å; A337-R341 PolarHBondContact O-N 3.21Å; E338-R341 WeakPolarHBondContact O-CB 3.48Å; E338-R341 PolarHBondContact O-N 2.77Å; E338-R341 IonicContact OE1-CZ 3.45Å; E338-R341 IonicContact OE1-NE 3.48Å; E338-R341 PolarHBondContact OE1-NE 2.84Å; E338-R341 IonicContact OE1-NH2 2.65Å; E338-R341 PolarHBondContact OE1-NH2 2.8Å; E338-R341 IonicContact OE2-CZ 3.45Å; E338-R341 IonicContact OE2-NE 2.77Å; E338-R341 PolarHBondContact OE2-NE 3.38Å; E338-R341 IonicContact OE2-NH2 3.3Å; E338-R341 PolarHBondContact OE2-NH2 2.91Å; R341-G343 VanDerWaalsContact C-N 3.34Å |
| 342 | R | 97.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 57.1 Ų | 57.1 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -6.4 | 176.5 | -66.6 | -176.7 | -170.9 | -147.5 | -1.2 | 114.2 | S303 D307 E338 A339 K340 I344 | S303-R342 VanDerWaalsContact CA-NH2 3.3Å; S303-R342 PolarHBondContact OG-NH2 3.4Å; D307-R342 IonicContact OD1-CZ 3.35Å; D307-R342 IonicContact OD1-NH1 2.68Å; D307-R342 PolarHBondContact OD1-NH1 3.31Å; D307-R342 IonicContact OD1-NH2 3.82Å; D307-R342 PolarHBondContact OD1-NH2 2.87Å; D307-R342 IonicContact OD2-CZ 3.46Å; D307-R342 IonicContact OD2-NH1 3.74Å; D307-R342 IonicContact OD2-NH2 2.73Å; D307-R342 PolarHBondContact OD2-NH2 3.36Å; E338-R342 WeakPolarHBondContact O-CG 3.44Å; E338-R342 PolarHBondContact O-N 2.95Å; E338-R342 IonicContact OE1-CZ 3.52Å; E338-R342 IonicContact OE1-NE 3.92Å; E338-R342 PolarHBondContact OE1-NE 3.33Å; E338-R342 IonicContact OE1-NH2 3.49Å; E338-R342 PolarHBondContact OE1-NH2 2.88Å; A339-R342 PolarHBondContact O-N 3.49Å; K340-R342 PolarHBondContact O-N 3.34Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 HydrophobicContact CB-CD1 4.26Å; R342-I344 HydrophobicContact CB-CG1 4.02Å; R342-I344 PolarHBondContact O-N 3.36Å |
| 343 | G | 97.5 | Very high | 94.5 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 21.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | A339 K340 R341 | A339-G343 PolarHBondContact O-N 2.86Å; K340-G343 PolarHBondContact O-N 3.4Å; R341-G343 VanDerWaalsContact C-N 3.34Å |
| 344 | I | 98 | Very high | 94.9 | Very high | 27 Ų | 27 | 55 Ų | 55 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | trans | -111.2 | 6.8 | -177.3 | 63.9 | 174.2 | 0 | 0 | 0 | 113 | L306 V311 Q312 A313 V314 A339 R342 H346 | L306-I344 HydrophobicContact CD1-CD1 4.36Å; L306-I344 HydrophobicContact CD2-CD1 4.28Å; V311-I344 HydrophobicContact CG1-CD1 4.49Å; Q312-I344 WeakPolarHBondContact O-CB 3.03Å; Q312-I344 WeakPolarHBondContact O-CG2 3.4Å; A313-I344 CarbonylContact C-O 3.59Å; A313-I344 WeakPolarHBondContact CA-O 3.32Å; V314-I344 HydrophobicContact CG2-CD1 4.18Å; V314-I344 HydrophobicContact CG2-CG1 4.37Å; V314-I344 PolarHBondContact N-O 3.37Å; A339-I344 HydrophobicContact CB-CG1 4.26Å; A339-I344 WeakPolarHBondContact O-CG1 3.35Å; A339-I344 PolarHBondContact O-N 3.45Å; A339-I344 VanDerWaalsContact O-N 3.09Å; R342-I344 VanDerWaalsContact C-N 3.3Å; R342-I344 HydrophobicContact CB-CD1 4.26Å; R342-I344 HydrophobicContact CB-CG1 4.02Å; R342-I344 PolarHBondContact O-N 3.36Å; I344-H346 PolarHBondContact O-CD2 3.42Å | ||
| 345 | Y | 98 | Very high | 95 | Very high | 40 Ų | 40 | 54 Ų | 54 | 16% | 0.157 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 132 | 178.1 | 177.6 | -101.2 | 0 | 0 | 0 | 111.5 | V314 N316 F336 A339 K340 E347 | V314-Y345 HydrophobicContact CG1-CD2 4.4Å; V314-Y345 WeakPolarHBondContact O-CA 3.44Å; N316-Y345 HydrophobicContact CB-CE2 3.7Å; N316-Y345 WeakPolarHBondContact CB-OH 3.24Å; N316-Y345 PolarHBondContact ND2-OH 3.08Å; F336-Y345 HydrophobicContact CB-CD2 3.69Å; F336-Y345 HydrophobicContact CB-CE2 3.58Å; F336-Y345 AromaticContact CD1-CD2 3.83Å; F336-Y345 HydrophobicContact CD1-CD2 3.83Å; F336-Y345 AromaticContact CD1-CE2 3.5Å; F336-Y345 HydrophobicContact CD1-CE2 3.5Å; F336-Y345 VanDerWaalsContact CD1-CE2 3.5Å; F336-Y345 AromaticContact CD2-CE2 3.94Å; F336-Y345 HydrophobicContact CD2-CE2 3.94Å; F336-Y345 HydrophobicContact CE1-CE2 4.13Å; F336-Y345 AromaticContact CG-CD2 3.9Å; F336-Y345 HydrophobicContact CG-CD2 3.9Å; F336-Y345 AromaticContact CG-CE2 3.39Å; F336-Y345 HydrophobicContact CG-CE2 3.39Å; A339-Y345 PolarHBondContact O-N 2.87Å; K340-Y345 HydrophobicContact CD-CD1 4.37Å; K340-Y345 HydrophobicContact CG-CD1 3.75Å; K340-Y345 HydrophobicContact CG-CD2 4.35Å; K340-Y345 HydrophobicContact CG-CE1 4.47Å; K340-Y345 HydrophobicContact CG-CG 3.67Å; Y345-E347 HydrophobicContact CE1-CG 3.51Å; Y345-E347 VanDerWaalsContact OH-CG 3.26Å; Y345-E347 WeakPolarHBondContact OH-CG 3.33Å; Y345-E347 PolarHBondContact OH-OE1 3.04Å |
| 346 | H | 97.3 | Very high | 94.9 | Very high | 70 Ų | 70 | 53 Ų | 53 | 32% | 0.324 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.6 | 174.4 | -53.5 | -77.6 | 0 | 0 | 0 | 111.3 | F250 V314 I315 N316 I344 | F250-H346 HydrophobicContact CD1-CB 4.42Å; F250-H346 AromaticContact CD1-CD2 3.94Å; F250-H346 HydrophobicContact CE1-CB 3.78Å; F250-H346 AromaticContact CE1-CD2 3.98Å; F250-H346 AromaticContact CE1-CG 3.69Å; F250-H346 HydrophobicContact CZ-CB 4.25Å; V314-H346 PolarHBondContact O-N 2.92Å; I315-H346 WeakPolarHBondContact CA-O 3.13Å; I315-H346 HydrophobicContact CD1-CB 3.74Å; N316-H346 PolarHBondContact N-O 3.18Å; I344-H346 PolarHBondContact O-CD2 3.42Å |
| 347 | E | 95.5 | Very high | 94.5 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 51% | 0.505 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 140.5 | 175.5 | -71.8 | -174.6 | 155.1 | 0 | 0 | 110.2 | N316 F318 Y345 | N316-E347 WeakPolarHBondContact O-CA 3.33Å; F318-E347 HydrophobicContact CD1-CB 3.8Å; F318-E347 HydrophobicContact CE1-CB 4.18Å; Y345-E347 HydrophobicContact CE1-CG 3.51Å; Y345-E347 VanDerWaalsContact OH-CG 3.26Å; Y345-E347 WeakPolarHBondContact OH-CG 3.33Å; Y345-E347 PolarHBondContact OH-OE1 3.04Å |
| 348 | V | 94.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.085 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.2 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 110.5 | F243 K246 F250 I315 N316 G317 F318 | F243-V348 HydrophobicContact CD2-CG2 3.73Å; F243-V348 HydrophobicContact CE2-CG2 3.74Å; K246-V348 HydrophobicContact CB-CB 4.32Å; K246-V348 HydrophobicContact CB-CG2 4.13Å; F250-V348 HydrophobicContact CE2-CG1 3.49Å; F250-V348 VanDerWaalsContact CE2-CG1 3.49Å; F250-V348 HydrophobicContact CZ-CG1 3.79Å; I315-V348 HydrophobicContact CG2-CB 4.25Å; I315-V348 HydrophobicContact CG2-CG1 3.69Å; I315-V348 HydrophobicContact CG2-CG2 3.56Å; N316-V348 PolarHBondContact O-N 3.02Å; G317-V348 WeakPolarHBondContact CA-O 3.23Å; F318-V348 VanDerWaalsContact CD1-C 3.48Å; F318-V348 WeakPolarHBondContact CD1-O 3.36Å; F318-V348 PolarHBondContact N-O 2.85Å; F318-V348 VanDerWaalsContact N-O 3.14Å |
| 349 | D | 94.2 | Very high | 94 | Very high | 76 Ų | 76 | 54 Ų | 54 | 41% | 0.406 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 126.9 | 164.6 | -177.6 | 8.8 | 0 | 0 | 0 | 108.5 | F318 G351 | F318-D349 HydrophobicContact CE1-CB 4.05Å; F318-D349 VanDerWaalsContact CE1-N 3.34Å; F318-D349 HydrophobicContact CE2-CB 4.3Å; F318-D349 HydrophobicContact CZ-CB 3.8Å; D349-G351 VanDerWaalsContact C-N 3.27Å; D349-G351 PolarHBondContact OD1-N 3.28Å |
| 350 | S | 93.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | trans | -76.2 | -16.6 | 174.8 | 68.6 | 0 | 0 | 0 | 0 | 113 | S352 | S350-S352 PolarHBondContact O-N 3.16Å; S350-S352 PolarHBondContact OG-N 2.87Å; S350-S352 PolarHBondContact OG-O 3.24Å | ||
| 351 | G | 92.3 | Very high | 93 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 70% | 0.701 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 71.7 | 9.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D349 | D349-G351 VanDerWaalsContact C-N 3.27Å; D349-G351 PolarHBondContact OD1-N 3.28Å |
| 352 | S | 91.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 48.9 Ų | 48.9 | 14% | 0.14 | 28% | 0.277 | C | S | . | . | trans | -119.7 | 132.9 | -179.2 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | G239 S350 M354 | G239-S352 WeakPolarHBondContact CA-OG 3.31Å; S350-S352 PolarHBondContact O-N 3.16Å; S350-S352 PolarHBondContact OG-N 2.87Å; S350-S352 PolarHBondContact OG-O 3.24Å; S352-M354 WeakPolarHBondContact OG-CB 3.24Å; S352-M354 PolarHBondContact OG-N 3.09Å | ||
| 353 | D | 90.9 | Very high | 92.1 | Very high | 120 Ų | 120 | 45.1 Ų | 45.1 | 64% | 0.642 | 26% | 0.263 | S | S | * | . | trans | -85.9 | -6.4 | 173.9 | 64.8 | -17.1 | 0 | 0 | 0 | 113.1 | R319 T355 | R319-D353 PolarHBondContact NH1-O 2.8Å; D353-T355 PolarHBondContact O-N 2.7Å | ||
| 354 | M | 91.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -64.1 | 123.6 | -174.4 | -173.5 | 64.9 | 64.7 | 0 | 0 | 112.3 | F61 E65 H237 I238 R319 S352 L358 I359 R362 | F61-M354 HydrophobicContact CD1-CE 4.13Å; F61-M354 HydrophobicContact CE1-CE 3.79Å; F61-M354 HydrophobicContact CE1-SD 4.03Å; E65-M354 WeakPolarHBondContact OE1-CE 3.32Å; H237-M354 HydrophobicContact CB-CG 4.21Å; H237-M354 PolarHBondContact CE1-O 2.78Å; I238-M354 HydrophobicContact CG2-CB 3.93Å; I238-M354 HydrophobicContact CG2-CE 4.2Å; I238-M354 HydrophobicContact CG2-CG 4.02Å; R319-M354 PolarHBondContact NH1-O 3.38Å; R319-M354 PolarHBondContact NH2-O 3.4Å; S352-M354 WeakPolarHBondContact OG-CB 3.24Å; S352-M354 PolarHBondContact OG-N 3.09Å; M354-L358 HydrophobicContact SD-CB 4.46Å; M354-L358 HydrophobicContact SD-CD2 4.05Å; M354-L358 HydrophobicContact SD-CG 4.43Å; M354-I359 HydrophobicContact CG-CD1 4.29Å; M354-I359 HydrophobicContact CG-CG1 4.33Å; M354-I359 HydrophobicContact SD-CD1 4.12Å; M354-I359 HydrophobicContact SD-CG1 3.52Å; M354-I359 VanDerWaalsContact SD-CG1 3.52Å; M354-R362 VanDerWaalsContact CE-CZ 3.47Å | ||
| 355 | T | 91.6 | Very high | 90.4 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | trans | -120.5 | 163.4 | 168.7 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | R319 D353 D357 L358 I359 | R319-T355 VanDerWaalsContact CZ-CG2 3.48Å; D353-T355 PolarHBondContact O-N 2.7Å; T355-D357 PolarHBondContact O-N 3.31Å; T355-D357 PolarHBondContact OG1-N 2.71Å; T355-L358 PolarHBondContact O-N 2.67Å; T355-L358 WeakPolarHBondContact OG1-CB 3.27Å; T355-L358 PolarHBondContact OG1-N 3.23Å; T355-I359 WeakPolarHBondContact O-CG1 3.48Å; T355-I359 PolarHBondContact O-N 2.85Å; T355-I359 VanDerWaalsContact O-N 3.08Å | ||
| 356 | T | 90.7 | Very high | 89.6 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -51.8 | -40.8 | 164.1 | -43.2 | 0 | 0 | 0 | 0 | 111.5 | D234 L235 H237 I359 I360 | D234-T356 HydrophobicContact CB-CG2 4.46Å; D234-T356 PolarHBondContact O-OG1 3.38Å; L235-T356 HydrophobicContact CB-CG2 4.22Å; L235-T356 HydrophobicContact CD1-CG2 3.85Å; L235-T356 HydrophobicContact CG-CG2 4.14Å; H237-T356 PolarHBondContact NE2-N 2.93Å; T356-I359 WeakPolarHBondContact O-CB 3.4Å; T356-I359 PolarHBondContact O-N 3.46Å; T356-I360 HydrophobicContact CG2-CD1 4.27Å; T356-I360 VanDerWaalsContact O-CG1 3.31Å; T356-I360 WeakPolarHBondContact O-CG1 2.82Å; T356-I360 PolarHBondContact O-N 3.22Å |
| 357 | D | 87 | Confident | 88.7 | Confident | 76 Ų | 76 | 51 Ų | 51 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 179.9 | -58.6 | -49.6 | 0 | 0 | 0 | 112.1 | H272 T355 I359 I360 D361 | H272-D357 IonicContact CE1-OD1 3.29Å; H272-D357 PolarHBondContact CE1-OD1 3.1Å; H272-D357 IonicContact NE2-OD1 3.32Å; H272-D357 PolarHBondContact NE2-OD1 3.25Å; T355-D357 PolarHBondContact O-N 3.31Å; T355-D357 PolarHBondContact OG1-N 2.71Å; D357-I359 VanDerWaalsContact C-N 3.31Å; D357-I359 PolarHBondContact O-N 2.88Å; D357-I360 WeakPolarHBondContact O-CB 3.03Å; D357-I360 PolarHBondContact O-N 2.65Å; D357-D361 PolarHBondContact O-N 2.94Å |
| 358 | L | 89.5 | Confident | 87.7 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.262 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 174.8 | -174.5 | 65.2 | 0 | 0 | 0 | 111.7 | M354 T355 D361 R362 | M354-L358 HydrophobicContact SD-CB 4.46Å; M354-L358 HydrophobicContact SD-CD2 4.05Å; M354-L358 HydrophobicContact SD-CG 4.43Å; T355-L358 PolarHBondContact O-N 2.67Å; T355-L358 WeakPolarHBondContact OG1-CB 3.27Å; T355-L358 PolarHBondContact OG1-N 3.23Å; L358-D361 PolarHBondContact O-N 2.81Å; L358-R362 WeakPolarHBondContact O-CG 3.29Å; L358-R362 PolarHBondContact O-N 3.21Å |
| 359 | I | 91.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.2 | -65.3 | 164.4 | 0 | 0 | 0 | 110.3 | M23 F61 M143 L235 H237 M354 T355 T356 D357 D361 R362 I363 | M23-I359 HydrophobicContact CE-CG2 3.98Å; M23-I359 HydrophobicContact SD-CG2 3.49Å; M23-I359 WeakPolarHBondContact SD-CG2 3.38Å; F61-I359 HydrophobicContact CE1-CD1 4.26Å; F61-I359 HydrophobicContact CE1-CG1 4.07Å; F61-I359 HydrophobicContact CZ-CD1 3.73Å; F61-I359 HydrophobicContact CZ-CG1 3.76Å; F61-I359 HydrophobicContact CZ-CG2 4.34Å; M143-I359 HydrophobicContact SD-CG2 4.23Å; L235-I359 HydrophobicContact CD1-CG2 4.29Å; H237-I359 HydrophobicContact CB-CD1 3.59Å; H237-I359 WeakPolarHBondContact CD2-CD1 3.14Å; M354-I359 HydrophobicContact CG-CD1 4.29Å; M354-I359 HydrophobicContact CG-CG1 4.33Å; M354-I359 HydrophobicContact SD-CD1 4.12Å; M354-I359 HydrophobicContact SD-CG1 3.52Å; M354-I359 VanDerWaalsContact SD-CG1 3.52Å; T355-I359 WeakPolarHBondContact O-CG1 3.48Å; T355-I359 PolarHBondContact O-N 2.85Å; T355-I359 VanDerWaalsContact O-N 3.08Å; T356-I359 WeakPolarHBondContact O-CB 3.4Å; T356-I359 PolarHBondContact O-N 3.46Å; D357-I359 VanDerWaalsContact C-N 3.31Å; D357-I359 PolarHBondContact O-N 2.88Å; I359-D361 VanDerWaalsContact C-N 3.31Å; I359-D361 PolarHBondContact O-N 3.45Å; I359-R362 PolarHBondContact O-N 3.05Å; I359-I363 HydrophobicContact CG2-CD1 4.12Å; I359-I363 WeakPolarHBondContact O-CG1 3.21Å; I359-I363 PolarHBondContact O-N 3.41Å |
| 360 | I | 87.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 175.7 | -69 | 165.3 | 0 | 0 | 0 | 109.7 | M143 I274 T356 D357 I363 I364 | M143-I360 HydrophobicContact CG-CG1 3.98Å; M143-I360 HydrophobicContact SD-CG1 3.81Å; I274-I360 HydrophobicContact CD1-CD1 4.44Å; I274-I360 HydrophobicContact CG1-CD1 4.38Å; T356-I360 HydrophobicContact CG2-CD1 4.27Å; T356-I360 VanDerWaalsContact O-CG1 3.31Å; T356-I360 WeakPolarHBondContact O-CG1 2.82Å; T356-I360 PolarHBondContact O-N 3.22Å; D357-I360 WeakPolarHBondContact O-CB 3.03Å; D357-I360 PolarHBondContact O-N 2.65Å; I360-I363 PolarHBondContact O-N 3.46Å; I360-I363 VanDerWaalsContact O-N 3.13Å; I360-I364 HydrophobicContact CG2-CD1 3.57Å; I360-I364 HydrophobicContact CG2-CG1 4.24Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 2.93Å |
| 361 | D | 86.2 | Confident | 85.7 | Confident | 76 Ų | 76 | 53.1 Ų | 53.1 | 41% | 0.406 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 177.2 | -74.6 | -20.7 | 0 | 0 | 0 | 111.2 | D357 L358 I359 I363 I364 H365 | D357-D361 PolarHBondContact O-N 2.94Å; L358-D361 PolarHBondContact O-N 2.81Å; I359-D361 VanDerWaalsContact C-N 3.31Å; I359-D361 PolarHBondContact O-N 3.45Å; D361-I363 PolarHBondContact O-N 3.04Å; D361-I364 PolarHBondContact O-N 2.85Å; D361-I364 VanDerWaalsContact O-N 3.1Å; D361-H365 PolarHBondContact O-N 3.47Å; D361-H365 PolarHBondContact O-ND1 3.43Å |
| 362 | R | 89.3 | Confident | 85.2 | Confident | 63 Ų | 63 | 53.4 Ų | 53.4 | 24% | 0.238 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -53.2 | -41.3 | 174.8 | -74.5 | -179.8 | -177.7 | -166.4 | 6.7 | 111.3 | V60 E65 M354 L358 I359 H366 | V60-R362 HydrophobicContact CG1-CB 4.28Å; V60-R362 PolarHBondContact O-NH1 3.41Å; E65-R362 VanDerWaalsContact CD-NH1 3.35Å; E65-R362 IonicContact OE1-CZ 3.65Å; E65-R362 IonicContact OE1-NH1 3.3Å; E65-R362 PolarHBondContact OE1-NH1 2.76Å; E65-R362 IonicContact OE1-NH2 2.78Å; E65-R362 PolarHBondContact OE1-NH2 3.22Å; E65-R362 IonicContact OE2-CZ 2.75Å; E65-R362 IonicContact OE2-NH1 2.76Å; E65-R362 PolarHBondContact OE2-NH1 2.82Å; E65-R362 IonicContact OE2-NH2 3.19Å; M354-R362 VanDerWaalsContact CE-CZ 3.47Å; L358-R362 WeakPolarHBondContact O-CG 3.29Å; L358-R362 PolarHBondContact O-N 3.21Å; I359-R362 PolarHBondContact O-N 3.05Å; R362-H366 PolarHBondContact O-CD2 3.06Å; R362-H366 PolarHBondContact O-N 3.04Å |
| 363 | I | 86.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.3 | -41 | 178.2 | -71.4 | 166 | 0 | 0 | 0 | 112.6 | M23 V60 V140 M143 L144 I359 I360 D361 H366 R367 Y370 | M23-I363 HydrophobicContact SD-CD1 4.15Å; V60-I363 HydrophobicContact CG1-CD1 4.2Å; V60-I363 HydrophobicContact CG1-CG1 3.87Å; V60-I363 HydrophobicContact CG2-CD1 4.31Å; V60-I363 HydrophobicContact CG2-CG1 3.91Å; V140-I363 HydrophobicContact CG1-CG2 4.1Å; V140-I363 HydrophobicContact CG2-CD1 4.17Å; M143-I363 HydrophobicContact CE-CD1 3.19Å; M143-I363 HydrophobicContact SD-CD1 3.38Å; M143-I363 WeakPolarHBondContact SD-CD1 3.27Å; L144-I363 HydrophobicContact CD2-CG2 3.86Å; L144-I363 HydrophobicContact CG-CG2 4.08Å; I359-I363 HydrophobicContact CG2-CD1 4.12Å; I359-I363 WeakPolarHBondContact O-CG1 3.21Å; I359-I363 PolarHBondContact O-N 3.41Å; I360-I363 PolarHBondContact O-N 3.46Å; I360-I363 VanDerWaalsContact O-N 3.13Å; D361-I363 PolarHBondContact O-N 3.04Å; I363-H366 CarbonylContact O-C 3.58Å; I363-H366 PolarHBondContact O-N 3.32Å; I363-R367 WeakPolarHBondContact O-CA 3.4Å; I363-R367 PolarHBondContact O-N 2.87Å; I363-R367 VanDerWaalsContact O-N 3.07Å; I363-Y370 HydrophobicContact CB-CD2 4.46Å; I363-Y370 HydrophobicContact CB-CE2 4.41Å; I363-Y370 HydrophobicContact CG1-CD2 4.5Å; I363-Y370 HydrophobicContact CG1-CE2 4.2Å; I363-Y370 HydrophobicContact CG2-CD2 4.19Å; I363-Y370 WeakPolarHBondContact O-CD2 3.47Å |
| 364 | I | 79.8 | Confident | 84.1 | Confident | 45 Ų | 45 | 48.5 Ų | 48.5 | 23% | 0.231 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -41.6 | 179.3 | -68.6 | 171 | 0 | 0 | 0 | 111.1 | I360 D361 H366 R367 | I360-I364 HydrophobicContact CG2-CD1 3.57Å; I360-I364 HydrophobicContact CG2-CG1 4.24Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 2.93Å; D361-I364 PolarHBondContact O-N 2.85Å; D361-I364 VanDerWaalsContact O-N 3.1Å; I364-H366 VanDerWaalsContact C-N 3.26Å; I364-H366 PolarHBondContact O-N 3.35Å; I364-R367 WeakPolarHBondContact O-CB 3.36Å; I364-R367 PolarHBondContact O-N 3.33Å; I364-R367 VanDerWaalsContact O-N 3.13Å |
| 365 | H | 80.4 | Confident | 83.6 | Confident | 150 Ų | 150 | 53.9 Ų | 53.9 | 69% | 0.694 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -60.8 | -35.4 | 179.1 | -74.5 | 89.7 | 0 | 0 | 0 | 112.4 | D361 | D361-H365 PolarHBondContact O-N 3.47Å; D361-H365 PolarHBondContact O-ND1 3.43Å |
| 366 | H | 80.1 | Confident | 83.1 | Confident | 83 Ų | 83 | 59.2 Ų | 59.2 | 38% | 0.384 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 21.3 | 178.2 | -67.2 | -88.2 | 0 | 0 | 0 | 113 | R362 I363 I364 L368 E369 Y370 | R362-H366 PolarHBondContact O-CD2 3.06Å; R362-H366 PolarHBondContact O-N 3.04Å; I363-H366 CarbonylContact O-C 3.58Å; I363-H366 PolarHBondContact O-N 3.32Å; I364-H366 VanDerWaalsContact C-N 3.26Å; I364-H366 PolarHBondContact O-N 3.35Å; H366-L368 VanDerWaalsContact C-N 3.32Å; H366-L368 PolarHBondContact O-N 3.45Å; H366-L368 VanDerWaalsContact O-N 3.17Å; H366-E369 IonicContact CG-OE2 3.45Å; H366-E369 IonicContact ND1-OE2 3.93Å; H366-E369 PolarHBondContact ND1-OE2 3.36Å; H366-E369 WeakPolarHBondContact O-CB 3.44Å; H366-E369 PolarHBondContact O-N 3.22Å; H366-Y370 HydrophobicContact CB-CD2 3.78Å; H366-Y370 HydrophobicContact CB-CE2 3.32Å; H366-Y370 WeakPolarHBondContact O-CD2 3.16Å; H366-Y370 PolarHBondContact O-N 3.03Å |
| 367 | R | 78.7 | Confident | 82.5 | Confident | 44 Ų | 44 | 63 Ų | 63 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -48.7 | -48.4 | -173.3 | 171 | 171.9 | -177.5 | 167 | 8.3 | 113.7 | L144 I363 I364 E369 Y370 E371 | L144-R367 HydrophobicContact CD2-CB 4.08Å; L144-R367 HydrophobicContact CD2-CG 3.73Å; I363-R367 WeakPolarHBondContact O-CA 3.4Å; I363-R367 PolarHBondContact O-N 2.87Å; I363-R367 VanDerWaalsContact O-N 3.07Å; I364-R367 WeakPolarHBondContact O-CB 3.36Å; I364-R367 PolarHBondContact O-N 3.33Å; I364-R367 VanDerWaalsContact O-N 3.13Å; R367-E369 VanDerWaalsContact C-N 3.3Å; R367-E369 PolarHBondContact O-N 3.21Å; R367-Y370 PolarHBondContact O-N 3.16Å; R367-E371 HydrophobicContact CG-CG 4.25Å; R367-E371 IonicContact CZ-OE1 2.7Å; R367-E371 IonicContact NE-OE1 3.57Å; R367-E371 PolarHBondContact NE-OE1 2.94Å; R367-E371 IonicContact NH2-OE1 2.78Å; R367-E371 PolarHBondContact NH2-OE1 2.78Å; R367-E371 WeakPolarHBondContact O-CB 3.49Å; R367-E371 WeakPolarHBondContact O-CG 3.29Å; R367-E371 PolarHBondContact O-N 3.43Å |
| 368 | L | 75.9 | Confident | 82.2 | Confident | 117 Ų | 117 | 62.9 Ų | 62.9 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | -177.9 | -70.8 | 176.1 | 0 | 0 | 0 | 112.3 | H366 T372 | H366-L368 VanDerWaalsContact C-N 3.32Å; H366-L368 PolarHBondContact O-N 3.45Å; H366-L368 VanDerWaalsContact O-N 3.17Å; L368-T372 VanDerWaalsContact O-CB 3.32Å; L368-T372 WeakPolarHBondContact O-CB 3.46Å; L368-T372 PolarHBondContact O-N 3.26Å; L368-T372 PolarHBondContact O-OG1 3.5Å |
| 369 | E | 81 | Confident | 81.8 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69.6 | -44.4 | 178.5 | -65.4 | 171.3 | -173.6 | 0 | 0 | 110.2 | P58 H366 R367 T372 R373 | P58-E369 VanDerWaalsContact CG-OE2 3.32Å; P58-E369 WeakPolarHBondContact CG-OE2 3.4Å; H366-E369 IonicContact CG-OE2 3.45Å; H366-E369 IonicContact ND1-OE2 3.93Å; H366-E369 PolarHBondContact ND1-OE2 3.36Å; H366-E369 WeakPolarHBondContact O-CB 3.44Å; H366-E369 PolarHBondContact O-N 3.22Å; R367-E369 VanDerWaalsContact C-N 3.3Å; R367-E369 PolarHBondContact O-N 3.21Å; E369-T372 PolarHBondContact O-N 3.34Å; E369-R373 WeakPolarHBondContact O-CB 3.39Å; E369-R373 PolarHBondContact O-N 2.68Å |
| 370 | Y | 80.5 | Confident | 81.2 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -68.7 | -41.2 | 177.6 | -64.7 | -46.3 | 0 | 0 | 0 | 113.3 | P58 P59 V60 I363 H366 R367 T372 R373 N374 | P58-Y370 WeakPolarHBondContact O-CE1 3.44Å; P59-Y370 PolarHBondContact O-OH 2.82Å; V60-Y370 WeakPolarHBondContact CA-OH 3.35Å; V60-Y370 HydrophobicContact CG2-CE1 3.88Å; V60-Y370 HydrophobicContact CG2-CE2 4.14Å; V60-Y370 WeakPolarHBondContact CG2-OH 3.24Å; I363-Y370 HydrophobicContact CB-CD2 4.46Å; I363-Y370 HydrophobicContact CB-CE2 4.41Å; I363-Y370 HydrophobicContact CG1-CD2 4.5Å; I363-Y370 HydrophobicContact CG1-CE2 4.2Å; I363-Y370 HydrophobicContact CG2-CD2 4.19Å; I363-Y370 WeakPolarHBondContact O-CD2 3.47Å; H366-Y370 HydrophobicContact CB-CD2 3.78Å; H366-Y370 HydrophobicContact CB-CE2 3.32Å; H366-Y370 WeakPolarHBondContact O-CD2 3.16Å; H366-Y370 PolarHBondContact O-N 3.03Å; R367-Y370 PolarHBondContact O-N 3.16Å; Y370-T372 VanDerWaalsContact C-N 3.31Å; Y370-T372 PolarHBondContact O-N 3.06Å; Y370-R373 PolarHBondContact O-N 2.55Å; Y370-N374 WeakPolarHBondContact O-CB 3.39Å; Y370-N374 PolarHBondContact O-N 3.39Å; Y370-N374 PolarHBondContact O-OD1 3.48Å |
| 371 | E | 78.7 | Confident | 80.7 | Confident | 43 Ų | 43 | 71 Ų | 71 | 20% | 0.201 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 173.2 | -76.4 | -177.5 | -176.7 | 0 | 0 | 111 | L144 R367 K375 | L144-E371 HydrophobicContact CD1-CG 3.97Å; R367-E371 HydrophobicContact CG-CG 4.25Å; R367-E371 IonicContact CZ-OE1 2.7Å; R367-E371 IonicContact NE-OE1 3.57Å; R367-E371 PolarHBondContact NE-OE1 2.94Å; R367-E371 IonicContact NH2-OE1 2.78Å; R367-E371 PolarHBondContact NH2-OE1 2.78Å; R367-E371 WeakPolarHBondContact O-CB 3.49Å; R367-E371 WeakPolarHBondContact O-CG 3.29Å; R367-E371 PolarHBondContact O-N 3.43Å; E371-K375 WeakPolarHBondContact O-CB 3.4Å; E371-K375 VanDerWaalsContact O-CG 3.29Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.15Å |
| 372 | T | 80.7 | Confident | 80.2 | Confident | 74 Ų | 74 | 67.7 Ų | 67.7 | 45% | 0.454 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 177.7 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | L368 E369 Y370 K376 | L368-T372 VanDerWaalsContact O-CB 3.32Å; L368-T372 WeakPolarHBondContact O-CB 3.46Å; L368-T372 PolarHBondContact O-N 3.26Å; L368-T372 PolarHBondContact O-OG1 3.5Å; E369-T372 PolarHBondContact O-N 3.34Å; Y370-T372 VanDerWaalsContact C-N 3.31Å; Y370-T372 PolarHBondContact O-N 3.06Å; T372-K376 WeakPolarHBondContact O-CG 3.31Å; T372-K376 PolarHBondContact O-N 2.9Å |
| 373 | R | 79.8 | Confident | 79.8 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 9% | 0.094 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -50.6 | 175.2 | 174.2 | 179.8 | 84.7 | 168.8 | 8.1 | 111.4 | D22 K56 P58 E369 Y370 K375 K376 K377 | D22-R373 IonicContact OD2-NH1 3.74Å; K56-R373 VanDerWaalsContact O-CD 3.24Å; K56-R373 WeakPolarHBondContact O-CD 3.48Å; K56-R373 WeakPolarHBondContact O-CG 3.45Å; P58-R373 PolarHBondContact O-NH1 3.01Å; E369-R373 WeakPolarHBondContact O-CB 3.39Å; E369-R373 PolarHBondContact O-N 2.68Å; Y370-R373 PolarHBondContact O-N 2.55Å; R373-K375 PolarHBondContact O-N 2.97Å; R373-K376 PolarHBondContact O-N 3.17Å; R373-K377 PolarHBondContact O-N 3.03Å |
| 374 | N | 79.6 | Confident | 79.2 | Confident | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.4 | -42.9 | -176.8 | -69.9 | 0.3 | 0 | 0 | 0 | 111.1 | T137 Y370 K376 K377 E378 | T137-N374 HydrophobicContact CG2-CB 4.06Å; Y370-N374 WeakPolarHBondContact O-CB 3.39Å; Y370-N374 PolarHBondContact O-N 3.39Å; Y370-N374 PolarHBondContact O-OD1 3.48Å; N374-K376 PolarHBondContact O-N 3.12Å; N374-K377 PolarHBondContact O-N 3.39Å; N374-E378 WeakPolarHBondContact O-CB 3.34Å; N374-E378 WeakPolarHBondContact O-CG 3.4Å; N374-E378 PolarHBondContact O-N 2.8Å |
| 375 | K | 82 | Confident | 78.9 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.4 | -75.7 | 175.8 | -178.3 | 174.2 | 0 | 113.1 | E371 R373 K379 | E371-K375 WeakPolarHBondContact O-CB 3.4Å; E371-K375 VanDerWaalsContact O-CG 3.29Å; E371-K375 WeakPolarHBondContact O-CG 3.42Å; E371-K375 PolarHBondContact O-N 3.15Å; R373-K375 PolarHBondContact O-N 2.97Å; K375-K379 WeakPolarHBondContact O-CB 3.24Å; K375-K379 PolarHBondContact O-N 3.44Å |
| 376 | K | 81.3 | Confident | 78.7 | Confident | 153 Ų | 153 | 65.4 Ų | 65.4 | 67% | 0.665 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62.6 | -43.8 | 176 | -76.4 | 179.7 | 179.6 | -177.1 | 0 | 111.3 | T372 R373 N374 K380 | T372-K376 WeakPolarHBondContact O-CG 3.31Å; T372-K376 PolarHBondContact O-N 2.9Å; R373-K376 PolarHBondContact O-N 3.17Å; N374-K376 PolarHBondContact O-N 3.12Å; K376-K380 WeakPolarHBondContact O-CB 3.23Å; K376-K380 PolarHBondContact O-N 3.39Å |
| 377 | K | 78.1 | Confident | 78.5 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 35% | 0.352 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 177.9 | -179.4 | 175.4 | 172.9 | 179.4 | 0 | 111.7 | T199 R373 N374 K379 K380 E381 | T199-K377 HydrophobicContact CG2-CD 4.33Å; T199-K377 HydrophobicContact CG2-CG 4.41Å; R373-K377 PolarHBondContact O-N 3.03Å; N374-K377 PolarHBondContact O-N 3.39Å; K377-K379 VanDerWaalsContact C-N 3.32Å; K377-K379 PolarHBondContact O-N 2.94Å; K377-K380 WeakPolarHBondContact O-CB 3.31Å; K377-K380 PolarHBondContact O-N 3.08Å; K377-K380 VanDerWaalsContact O-N 3.17Å; K377-E381 WeakPolarHBondContact CE-OE1 3.47Å; K377-E381 IonicContact NZ-OE1 3.52Å; K377-E381 WeakPolarHBondContact O-CG 3.41Å; K377-E381 PolarHBondContact O-N 3.2Å |
| 378 | E | 78.9 | Confident | 78.2 | Confident | 75 Ų | 75 | 68.9 Ų | 68.9 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.9 | -44.7 | 177.6 | -77.7 | 172.5 | -177.8 | 0 | 0 | 112.1 | T199 N374 E381 A382 | T199-E378 HydrophobicContact CG2-CG 4.27Å; T199-E378 WeakPolarHBondContact OG1-CG 3.47Å; N374-E378 WeakPolarHBondContact O-CB 3.34Å; N374-E378 WeakPolarHBondContact O-CG 3.4Å; N374-E378 PolarHBondContact O-N 2.8Å; E378-E381 PolarHBondContact O-N 3.46Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.43Å; E378-A382 PolarHBondContact O-N 3.02Å |
| 379 | K | 81.8 | Confident | 78 | Confident | 140 Ų | 140 | 70.4 Ų | 70.4 | 61% | 0.609 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.8 | -47.5 | 176.5 | -176.3 | 179.6 | 177.3 | -175.1 | 0 | 111.5 | K375 K377 E381 A382 D383 | K375-K379 WeakPolarHBondContact O-CB 3.24Å; K375-K379 PolarHBondContact O-N 3.44Å; K377-K379 VanDerWaalsContact C-N 3.32Å; K377-K379 PolarHBondContact O-N 2.94Å; K379-E381 VanDerWaalsContact C-N 3.35Å; K379-E381 PolarHBondContact O-N 3.17Å; K379-A382 PolarHBondContact O-N 3.01Å; K379-D383 WeakPolarHBondContact O-CB 3.28Å; K379-D383 PolarHBondContact O-N 3.44Å |
| 380 | K | 78 | Confident | 77 | Confident | 78 Ų | 78 | 70.5 Ų | 70.5 | 34% | 0.339 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 179.4 | -175.7 | 177.6 | -173.6 | 172.9 | 0 | 111.7 | L108 T109 K376 K377 V384 | L108-K380 PolarHBondContact O-NZ 2.89Å; T109-K380 PolarHBondContact O-NZ 3.45Å; K376-K380 WeakPolarHBondContact O-CB 3.23Å; K376-K380 PolarHBondContact O-N 3.39Å; K377-K380 WeakPolarHBondContact O-CB 3.31Å; K377-K380 PolarHBondContact O-N 3.08Å; K377-K380 VanDerWaalsContact O-N 3.17Å; K380-V384 WeakPolarHBondContact O-CG2 3.34Å; K380-V384 PolarHBondContact O-N 3.38Å |
| 381 | E | 77.4 | Confident | 75.6 | Confident | 18 Ų | 18 | 75.7 Ų | 75.7 | 8% | 0.084 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 178.5 | -68.6 | 172.3 | -179.8 | 0 | 0 | 111.9 | S196 T199 K377 E378 K379 V384 A385 | S196-E381 WeakPolarHBondContact CB-OE2 3.27Å; S196-E381 VanDerWaalsContact OG-CB 3.24Å; S196-E381 WeakPolarHBondContact OG-CB 3.34Å; S196-E381 PolarHBondContact OG-OE2 3.3Å; T199-E381 WeakPolarHBondContact CG2-OE2 3.31Å; T199-E381 PolarHBondContact OG1-OE2 2.89Å; K377-E381 WeakPolarHBondContact CE-OE1 3.47Å; K377-E381 IonicContact NZ-OE1 3.52Å; K377-E381 WeakPolarHBondContact O-CG 3.41Å; K377-E381 PolarHBondContact O-N 3.2Å; E378-E381 PolarHBondContact O-N 3.46Å; K379-E381 VanDerWaalsContact C-N 3.35Å; K379-E381 PolarHBondContact O-N 3.17Å; E381-V384 PolarHBondContact O-N 2.86Å; E381-A385 VanDerWaalsContact O-CB 3.24Å; E381-A385 WeakPolarHBondContact O-CB 3.45Å; E381-A385 PolarHBondContact O-N 3.38Å |
| 382 | A | 76.1 | Confident | 75.5 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | A194 E378 K379 A385 K386 | A194-A382 WeakPolarHBondContact O-CB 3.48Å; E378-A382 VanDerWaalsContact O-CB 3.27Å; E378-A382 WeakPolarHBondContact O-CB 3.43Å; E378-A382 PolarHBondContact O-N 3.02Å; K379-A382 PolarHBondContact O-N 3.01Å; A382-A385 PolarHBondContact O-N 2.82Å; A382-K386 WeakPolarHBondContact O-CG 3.33Å; A382-K386 PolarHBondContact O-N 3.09Å |
| 383 | D | 80.2 | Confident | 75.2 | Confident | 80 Ų | 80 | 77.5 Ų | 77.5 | 43% | 0.428 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 176.9 | -71 | -20.5 | 0 | 0 | 0 | 111.1 | K379 A387 | K379-D383 WeakPolarHBondContact O-CB 3.28Å; K379-D383 PolarHBondContact O-N 3.44Å; D383-A387 PolarHBondContact O-N 3Å; D383-A387 VanDerWaalsContact O-N 3.09Å |
| 384 | V | 73.8 | Confident | 75 | Confident | 31 Ų | 31 | 80.4 Ų | 80.4 | 19% | 0.188 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69 | -42 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | I106 L108 K380 E381 K386 A387 M388 | I106-V384 HydrophobicContact CD1-CB 3.8Å; I106-V384 HydrophobicContact CD1-CG1 3.39Å; I106-V384 HydrophobicContact CG1-CG1 3.92Å; I106-V384 HydrophobicContact CG2-CB 4.48Å; I106-V384 HydrophobicContact CG2-CG1 4.12Å; I106-V384 HydrophobicContact CG2-CG2 4.2Å; L108-V384 HydrophobicContact CD1-CG2 3.9Å; K380-V384 WeakPolarHBondContact O-CG2 3.34Å; K380-V384 PolarHBondContact O-N 3.38Å; E381-V384 PolarHBondContact O-N 2.86Å; V384-K386 VanDerWaalsContact C-N 3.31Å; V384-K386 PolarHBondContact O-N 3.07Å; V384-A387 CarbonylContact O-C 3.59Å; V384-A387 WeakPolarHBondContact O-CA 3.49Å; V384-A387 WeakPolarHBondContact O-CB 3.37Å; V384-A387 PolarHBondContact O-N 2.89Å; V384-A387 VanDerWaalsContact O-N 3.07Å; V384-M388 HydrophobicContact CG1-CG 4.27Å; V384-M388 HydrophobicContact CG1-SD 3.84Å; V384-M388 WeakPolarHBondContact O-CG 3.24Å; V384-M388 PolarHBondContact O-N 3.39Å |
| 385 | A | 73.3 | Confident | 74.7 | Confident | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | W198 E381 A382 M388 N389 L390 I391 | W198-A385 HydrophobicContact CH2-CB 4.14Å; W198-A385 HydrophobicContact CZ3-CB 3.63Å; E381-A385 VanDerWaalsContact O-CB 3.24Å; E381-A385 WeakPolarHBondContact O-CB 3.45Å; E381-A385 PolarHBondContact O-N 3.38Å; A382-A385 PolarHBondContact O-N 2.82Å; A385-M388 CarbonylContact O-C 3.52Å; A385-M388 PolarHBondContact O-N 3.12Å; A385-N389 PolarHBondContact O-N 3.3Å; A385-N389 VanDerWaalsContact O-N 3.14Å; A385-L390 HydrophobicContact CB-CB 4.39Å; A385-L390 PolarHBondContact O-N 2.87Å; A385-I391 HydrophobicContact CB-CD1 3.38Å; A385-I391 HydrophobicContact CB-CG1 3.63Å |
| 386 | K | 76.1 | Confident | 74.2 | Confident | 100 Ų | 100 | 82.6 Ų | 82.6 | 44% | 0.435 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 170.2 | -75 | 173.9 | -176.5 | 173.8 | 0 | 111.8 | A382 V384 M388 N389 | A382-K386 WeakPolarHBondContact O-CG 3.33Å; A382-K386 PolarHBondContact O-N 3.09Å; V384-K386 VanDerWaalsContact C-N 3.31Å; V384-K386 PolarHBondContact O-N 3.07Å; K386-M388 PolarHBondContact O-N 3.14Å; K386-N389 PolarHBondContact O-N 3.29Å; K386-N389 VanDerWaalsContact O-N 3.12Å |
| 387 | A | 77.2 | Confident | 73.8 | Confident | 85 Ų | 85 | 77.9 Ų | 77.9 | 70% | 0.702 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.8 | -28.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | D383 V384 | D383-A387 PolarHBondContact O-N 3Å; D383-A387 VanDerWaalsContact O-N 3.09Å; V384-A387 CarbonylContact O-C 3.59Å; V384-A387 WeakPolarHBondContact O-CA 3.49Å; V384-A387 WeakPolarHBondContact O-CB 3.37Å; V384-A387 PolarHBondContact O-N 2.89Å; V384-A387 VanDerWaalsContact O-N 3.07Å |
| 388 | M | 72.6 | Confident | 73.4 | Confident | 114 Ų | 114 | 77.7 Ų | 77.7 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 4 | 176.5 | -64.3 | -178.8 | 79 | 0 | 0 | 114 | V384 A385 K386 L390 | V384-M388 HydrophobicContact CG1-CG 4.27Å; V384-M388 HydrophobicContact CG1-SD 3.84Å; V384-M388 WeakPolarHBondContact O-CG 3.24Å; V384-M388 PolarHBondContact O-N 3.39Å; A385-M388 CarbonylContact O-C 3.52Å; A385-M388 PolarHBondContact O-N 3.12Å; K386-M388 PolarHBondContact O-N 3.14Å; M388-L390 VanDerWaalsContact C-N 3.27Å; M388-L390 HydrophobicContact CB-CD1 3.82Å; M388-L390 HydrophobicContact CB-CG 3.98Å; M388-L390 HydrophobicContact CE-CD1 4.42Å; M388-L390 PolarHBondContact O-N 3.34Å; M388-L390 HydrophobicContact SD-CD1 4.25Å |
| 389 | N | 69.9 | Low | 73 | Confident | 149 Ų | 149 | 77.9 Ų | 77.9 | 80% | 0.797 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 36.3 | -174.4 | -64.6 | -31.7 | 0 | 0 | 0 | 114.4 | A385 K386 | A385-N389 PolarHBondContact O-N 3.3Å; A385-N389 VanDerWaalsContact O-N 3.14Å; K386-N389 PolarHBondContact O-N 3.29Å; K386-N389 VanDerWaalsContact O-N 3.12Å |
| 390 | L | 60.1 | Low | 72.3 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 52% | 0.518 | 39% | 0.39 | S | S | . | . | trans | -93.1 | -8.1 | 177.8 | -66.4 | 169.8 | 0 | 0 | 0 | 113.2 | W198 A385 M388 | W198-L390 HydrophobicContact CH2-CD1 3.6Å; W198-L390 HydrophobicContact CZ2-CD1 4.12Å; A385-L390 HydrophobicContact CB-CB 4.39Å; A385-L390 PolarHBondContact O-N 2.87Å; M388-L390 VanDerWaalsContact C-N 3.27Å; M388-L390 HydrophobicContact CB-CD1 3.82Å; M388-L390 HydrophobicContact CB-CG 3.98Å; M388-L390 HydrophobicContact CE-CD1 4.42Å; M388-L390 PolarHBondContact O-N 3.34Å; M388-L390 HydrophobicContact SD-CD1 4.25Å | ||
| 391 | I | 52.9 | Low | 71.8 | Confident | 114 Ų | 114 | 72.3 Ų | 72.3 | 59% | 0.585 | 40% | 0.395 | S | S | * | . | trans | -143 | 0 | 178.5 | -33.7 | 173 | 0 | 0 | 0 | 110.6 | A194 P197 A385 | A194-I391 HydrophobicContact CB-CG2 4.38Å; P197-I391 VanDerWaalsContact CD-CD1 3.5Å; P197-I391 HydrophobicContact CG-CD1 4.1Å; P197-I391 HydrophobicContact CG-CG1 4.06Å; A385-I391 HydrophobicContact CB-CD1 3.38Å; A385-I391 HydrophobicContact CB-CG1 3.63Å |
Retrieved 391 of 391 residues in 149.1 ms
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