| 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 | 75.9 | Confident | 93.6 | Very high | 26 Ų | 26 | 9.7 Ų | 9.7 | 13% | 0.128 | 5% | 0.048 | C | C | . | . | 0 | 139.4 | 0 | -152.2 | -57.8 | -47.5 | 0 | 0 | 107.7 | H32 Q68 P69 R71 I72 V97 G98 | M1-H32 HydrophobicContact CG-CB 3.8Å; M1-H32 WeakPolarHBondContact CG-CD2 3.27Å; M1-H32 HydrophobicContact SD-CB 4.36Å; M1-Q68 WeakPolarHBondContact CE-O 3.13Å; M1-P69 WeakPolarHBondContact CB-O 3.41Å; M1-R71 HydrophobicContact CE-CB 4.47Å; M1-R71 WeakPolarHBondContact CE-O 3.36Å; M1-R71 VanDerWaalsContact SD-CA 3.53Å; M1-R71 PolarHBondContact SD-N 3.19Å; M1-I72 HydrophobicContact CG-CG1 4.26Å; M1-I72 WeakPolarHBondContact SD-CA 3.49Å; M1-I72 HydrophobicContact SD-CB 3.86Å; M1-I72 HydrophobicContact SD-CG1 3.22Å; M1-I72 WeakPolarHBondContact SD-CG1 3.33Å; M1-I72 PolarHBondContact SD-N 3.12Å; M1-V97 HydrophobicContact CE-CG1 4.14Å; M1-V97 CarbonylContact O-C 3.55Å; M1-V97 VanDerWaalsContact O-CA 3.27Å; M1-V97 WeakPolarHBondContact O-CA 3.5Å; M1-V97 WeakPolarHBondContact O-CB 3.47Å; M1-V97 WeakPolarHBondContact O-CG1 3.29Å; M1-G98 PolarHBondContact O-N 2.9Å | |||
| 2 | S | 92.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 3% | 0.028 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 151.7 | -154.7 | -160.2 | 0 | 0 | 0 | 0 | 116.1 | I72 V73 G98 | S2-I72 WeakPolarHBondContact O-CA 3.26Å; S2-V73 PolarHBondContact O-N 3.4Å; S2-G98 CarbonylContact C-O 3.58Å; S2-G98 WeakPolarHBondContact CA-O 3.49Å; S2-G98 PolarHBondContact OG-O 3.03Å |
| 3 | L | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 124 | 156.3 | -178.5 | 64.8 | 0 | 0 | 0 | 108.6 | V5 V63 I67 V73 V75 L88 A92 V97 G98 F99 L100 | L3-V5 HydrophobicContact CD2-CG2 4.34Å; L3-V5 HydrophobicContact CG-CG2 4.13Å; L3-V63 HydrophobicContact CD1-CG1 3.67Å; L3-V63 HydrophobicContact CD2-CG1 4.17Å; L3-I67 HydrophobicContact CB-CD1 4.21Å; L3-I67 HydrophobicContact CD1-CD1 4.44Å; L3-I67 HydrophobicContact CD2-CD1 4Å; L3-I67 HydrophobicContact CG-CD1 4.46Å; L3-V73 HydrophobicContact CD1-CB 3.83Å; L3-V73 HydrophobicContact CD1-CG1 3.87Å; L3-V75 HydrophobicContact CD1-CG2 3.66Å; L3-L88 HydrophobicContact CD2-CB 4.07Å; L3-L88 WeakPolarHBondContact CD2-O 3.39Å; L3-A92 HydrophobicContact CB-CB 4.28Å; L3-A92 HydrophobicContact CD2-CB 4.16Å; L3-V97 HydrophobicContact CB-CG2 4.4Å; L3-G98 PolarHBondContact N-O 3.21Å; L3-F99 HydrophobicContact CB-CD2 4.32Å; L3-F99 HydrophobicContact CD2-CD2 3.99Å; L3-F99 HydrophobicContact CD2-CE2 4.07Å; L3-F99 HydrophobicContact CG-CD2 4.32Å; L3-F99 WeakPolarHBondContact O-CA 3.11Å; L3-L100 PolarHBondContact O-N 2.91Å |
| 4 | V | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.4 | 179.7 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | L6 I72 V73 I74 V75 L100 V102 I167 | V4-L6 HydrophobicContact CG1-CD2 4.28Å; V4-I72 HydrophobicContact CG2-CG2 4.03Å; V4-V73 PolarHBondContact N-O 3.32Å; V4-I74 HydrophobicContact CB-CG1 4.22Å; V4-I74 CarbonylContact O-C 3.57Å; V4-I74 WeakPolarHBondContact O-CA 3.34Å; V4-V75 PolarHBondContact O-N 2.81Å; V4-L100 CarbonylContact C-O 3.51Å; V4-L100 WeakPolarHBondContact CA-O 3.49Å; V4-V102 HydrophobicContact CG1-CG2 3.69Å; V4-I167 HydrophobicContact CG1-CD1 4.16Å; V4-I167 HydrophobicContact CG2-CD1 4.01Å; V4-I167 HydrophobicContact CG2-CG1 3.93Å; V4-I167 HydrophobicContact CG2-CG2 4.02Å |
| 5 | V | 97.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 105.8 | -175.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | L3 V75 N79 L88 F99 L100 I101 V102 | L3-V5 HydrophobicContact CD2-CG2 4.34Å; L3-V5 HydrophobicContact CG-CG2 4.13Å; V5-V75 HydrophobicContact CG2-CG2 4.48Å; V5-N79 HydrophobicContact CG1-CB 3.93Å; V5-N79 VanDerWaalsContact CG1-CG 3.47Å; V5-N79 VanDerWaalsContact CG1-ND2 3.32Å; V5-N79 WeakPolarHBondContact CG1-ND2 3.47Å; V5-L88 HydrophobicContact CG1-CD1 4.02Å; V5-L88 HydrophobicContact CG2-CB 4.37Å; V5-L88 HydrophobicContact CG2-CD1 3.86Å; V5-F99 HydrophobicContact CG2-CD2 4.37Å; V5-F99 HydrophobicContact CG2-CE2 3.54Å; V5-F99 HydrophobicContact CG2-CZ 4.01Å; V5-L100 PolarHBondContact N-O 3.15Å; V5-I101 HydrophobicContact CB-CG1 4.37Å; V5-I101 CarbonylContact O-C 3.58Å; V5-I101 WeakPolarHBondContact O-CA 3.36Å; V5-V102 PolarHBondContact O-N 3.26Å |
| 6 | L | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 141.5 | 174.4 | -54.6 | -171 | 0 | 0 | 0 | 109.3 | V4 K14 L17 A18 L21 I74 V75 D76 N79 V102 | V4-L6 HydrophobicContact CG1-CD2 4.28Å; L6-K14 HydrophobicContact CB-CB 4.22Å; L6-K14 HydrophobicContact CB-CD 4.31Å; L6-K14 HydrophobicContact CB-CG 4.35Å; L6-K14 HydrophobicContact CD1-CB 4.07Å; L6-K14 WeakPolarHBondContact CD1-O 3.22Å; L6-L17 HydrophobicContact CD2-CD2 4.07Å; L6-A18 HydrophobicContact CD1-CB 3.71Å; L6-L21 HydrophobicContact CD2-CD1 4.35Å; L6-I74 HydrophobicContact CD1-CG2 4.11Å; L6-I74 HydrophobicContact CD2-CG2 4.31Å; L6-I74 HydrophobicContact CG-CG2 4.01Å; L6-V75 WeakPolarHBondContact CB-O 3.43Å; L6-V75 PolarHBondContact N-O 3.14Å; L6-D76 HydrophobicContact CD1-CB 4.39Å; L6-N79 WeakPolarHBondContact O-CB 3.4Å; L6-N79 PolarHBondContact O-ND2 3.35Å; L6-V102 CarbonylContact C-O 3.54Å; L6-V102 WeakPolarHBondContact CA-O 2.95Å; L6-V102 HydrophobicContact CD2-CB 3.73Å; L6-V102 HydrophobicContact CD2-CG1 4.16Å; L6-V102 HydrophobicContact CD2-CG2 4.17Å |
| 7 | S | 96.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 145.1 | -179.8 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | T78 N79 V102 R103 C104 Y137 | S7-T78 WeakPolarHBondContact CA-O 3.19Å; S7-T78 PolarHBondContact OG-O 3.22Å; S7-N79 PolarHBondContact OG-O 2.62Å; S7-V102 PolarHBondContact N-O 3.2Å; S7-R103 CarbonylContact O-C 3.54Å; S7-R103 VanDerWaalsContact O-CA 3.3Å; S7-R103 WeakPolarHBondContact O-CA 3.37Å; S7-C104 PolarHBondContact O-N 2.87Å; S7-Y137 WeakPolarHBondContact OG-CE2 3.37Å; S7-Y137 PolarHBondContact OG-OH 3.17Å |
| 8 | G | 95.5 | Very high | 94.2 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | trans | 149.5 | 171.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K14 T78 Y137 | G8-K14 PolarHBondContact O-NZ 3.43Å; G8-T78 PolarHBondContact N-O 3.32Å; G8-T78 WeakPolarHBondContact O-CA 3.31Å; G8-Y137 PolarHBondContact N-OH 3.43Å | ||
| 9 | Y | 94.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 13% | 0.125 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -55 | 153.6 | -178.9 | -54.5 | -39 | 0 | 0 | 0 | 112.8 | L11 S12 K14 A106 I111 I134 Y137 | Y9-L11 PolarHBondContact O-N 3.38Å; Y9-S12 WeakPolarHBondContact O-CB 3.22Å; Y9-S12 PolarHBondContact O-N 3.22Å; Y9-S12 VanDerWaalsContact O-N 3.12Å; Y9-S12 PolarHBondContact O-OG 3.47Å; Y9-K14 PolarHBondContact O-NZ 3.44Å; Y9-A106 HydrophobicContact CD2-CB 4.43Å; Y9-A106 WeakPolarHBondContact CE2-O 3.37Å; Y9-I111 HydrophobicContact CD2-CG1 4.14Å; Y9-I134 HydrophobicContact CD1-CB 4.36Å; Y9-I134 HydrophobicContact CD1-CG1 4.03Å; Y9-I134 HydrophobicContact CD1-CG2 4.12Å; Y9-I134 HydrophobicContact CE1-CG2 3.87Å; Y9-I134 HydrophobicContact CG-CG1 4.13Å; Y9-Y137 AromaticContact CD1-CD1 3.87Å; Y9-Y137 HydrophobicContact CD1-CD1 3.87Å; Y9-Y137 HydrophobicContact CD1-CE1 4.49Å; Y9-Y137 AromaticContact CD1-CG 3.98Å; Y9-Y137 HydrophobicContact CD1-CG 3.98Å; Y9-Y137 AromaticContact CE1-CD1 3.37Å; Y9-Y137 HydrophobicContact CE1-CD1 3.37Å; Y9-Y137 HydrophobicContact CE1-CE1 4.12Å; Y9-Y137 AromaticContact CE1-CG 3.83Å; Y9-Y137 HydrophobicContact CE1-CG 3.83Å |
| 10 | P | 93 | Very high | 94.4 | Very high | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.013 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 142.8 | 163.1 | -20.4 | 31.6 | 0 | 0 | 0 | 109.8 | S12 M46 T78 I111 F125 L130 A133 | P10-S12 PolarHBondContact O-N 2.9Å; P10-M46 HydrophobicContact CB-CE 3.84Å; P10-M46 HydrophobicContact CG-CE 3.83Å; P10-M46 HydrophobicContact CG-SD 4.3Å; P10-T78 HydrophobicContact CG-CG2 4.09Å; P10-I111 WeakPolarHBondContact O-CD1 3.36Å; P10-I111 WeakPolarHBondContact O-CG2 3.26Å; P10-F125 HydrophobicContact CB-CD2 4.49Å; P10-F125 HydrophobicContact CB-CE2 4.2Å; P10-L130 HydrophobicContact CB-CD1 3.61Å; P10-L130 HydrophobicContact CG-CD1 3.82Å; P10-A133 HydrophobicContact CG-CB 3.94Å |
| 11 | L | 92.2 | Very high | 94.5 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 12.6 | -175.6 | -49.5 | 174.8 | 0 | 0 | 0 | 116.4 | Y9 G13 I111 R114 N115 I124 F125 L130 | Y9-L11 PolarHBondContact O-N 3.38Å; L11-G13 PolarHBondContact O-N 2.97Å; L11-I111 VanDerWaalsContact C-CD1 3.4Å; L11-I111 HydrophobicContact CB-CD1 4.12Å; L11-I111 HydrophobicContact CB-CG2 4.45Å; L11-I111 WeakPolarHBondContact O-CD1 3.33Å; L11-R114 HydrophobicContact CD1-CB 4.39Å; L11-R114 PolarHBondContact O-NH1 2.8Å; L11-N115 HydrophobicContact CD1-CB 3.71Å; L11-I124 HydrophobicContact CD1-CD1 4.17Å; L11-I124 HydrophobicContact CD2-CD1 3.82Å; L11-I124 HydrophobicContact CD2-CG2 4.13Å; L11-F125 HydrophobicContact CD1-CD2 4.04Å; L11-F125 HydrophobicContact CD1-CE2 4.36Å; L11-F125 HydrophobicContact CD2-CD2 4.14Å; L11-F125 HydrophobicContact CD2-CE2 3.64Å; L11-F125 HydrophobicContact CG-CD2 3.97Å; L11-F125 HydrophobicContact CG-CE2 3.81Å; L11-L130 HydrophobicContact CD1-CD2 4.49Å |
| 12 | S | 93.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 6% | 0.056 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -76.3 | 4.3 | 175.8 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | Y9 P10 K14 | Y9-S12 WeakPolarHBondContact O-CB 3.22Å; Y9-S12 PolarHBondContact O-N 3.22Å; Y9-S12 VanDerWaalsContact O-N 3.12Å; Y9-S12 PolarHBondContact O-OG 3.47Å; P10-S12 PolarHBondContact O-N 2.9Å; S12-K14 WeakPolarHBondContact OG-CG 3.38Å |
| 13 | G | 93.4 | Very high | 95.5 | Very high | 32 Ų | 32 | 33.5 Ų | 33.5 | 33% | 0.33 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 87.1 | 11 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L11 T15 A16 L17 | L11-G13 PolarHBondContact O-N 2.97Å; G13-T15 PolarHBondContact O-N 3.29Å; G13-A16 PolarHBondContact O-N 3.21Å; G13-L17 PolarHBondContact O-N 2.82Å |
| 14 | K | 96 | Very high | 95.5 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.03 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.4 | -49.3 | -179.9 | -58.5 | -177.6 | -63.2 | -75.7 | 0 | 112.8 | L6 G8 Y9 S12 A16 L17 A18 D76 S77 C104 | L6-K14 HydrophobicContact CB-CB 4.22Å; L6-K14 HydrophobicContact CB-CD 4.31Å; L6-K14 HydrophobicContact CB-CG 4.35Å; L6-K14 HydrophobicContact CD1-CB 4.07Å; L6-K14 WeakPolarHBondContact CD1-O 3.22Å; G8-K14 PolarHBondContact O-NZ 3.43Å; Y9-K14 PolarHBondContact O-NZ 3.44Å; S12-K14 WeakPolarHBondContact OG-CG 3.38Å; K14-A16 VanDerWaalsContact C-N 3.35Å; K14-A16 PolarHBondContact O-N 2.96Å; K14-L17 CarbonylContact O-C 3.56Å; K14-L17 WeakPolarHBondContact O-CA 3.36Å; K14-L17 WeakPolarHBondContact O-CB 3.44Å; K14-L17 PolarHBondContact O-N 3.5Å; K14-L17 VanDerWaalsContact O-N 3.11Å; K14-A18 PolarHBondContact O-N 3.27Å; K14-D76 WeakPolarHBondContact CB-OD1 3.45Å; K14-S77 WeakPolarHBondContact CD-O 3.29Å; K14-S77 VanDerWaalsContact CE-C 3.42Å; K14-S77 WeakPolarHBondContact CE-O 3.29Å; K14-C104 HydrophobicContact CG-CB 4.23Å |
| 15 | T | 94.7 | Very high | 95.3 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 41% | 0.411 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -43.2 | 179.3 | -49 | 0 | 0 | 0 | 0 | 112.2 | G13 L17 A18 H19 D76 | G13-T15 PolarHBondContact O-N 3.29Å; T15-L17 VanDerWaalsContact C-N 3.32Å; T15-L17 PolarHBondContact O-N 3.03Å; T15-A18 WeakPolarHBondContact O-CB 3.34Å; T15-A18 PolarHBondContact O-N 3.16Å; T15-H19 PolarHBondContact O-CD2 2.84Å; T15-H19 PolarHBondContact O-N 3.41Å; T15-H19 VanDerWaalsContact O-N 3.1Å; T15-D76 WeakPolarHBondContact CA-OD2 3.27Å; T15-D76 WeakPolarHBondContact CB-OD2 3.34Å; T15-D76 WeakPolarHBondContact CG2-OD2 3.2Å; T15-D76 PolarHBondContact N-OD1 2.85Å; T15-D76 PolarHBondContact OG1-OD2 3.46Å |
| 16 | A | 94.7 | Very high | 95 | Very high | 70 Ų | 70 | 38.7 Ų | 38.7 | 58% | 0.579 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -60.9 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G13 K14 R20 | G13-A16 PolarHBondContact O-N 3.21Å; K14-A16 VanDerWaalsContact C-N 3.35Å; K14-A16 PolarHBondContact O-N 2.96Å; A16-R20 WeakPolarHBondContact O-CB 3.48Å; A16-R20 PolarHBondContact O-N 3.01Å |
| 17 | L | 96.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.7 | 179.1 | 59.6 | 0 | 0 | 0 | 112.2 | L6 G13 K14 T15 H19 R20 L21 V102 Y152 L160 L163 | L6-L17 HydrophobicContact CD2-CD2 4.07Å; G13-L17 PolarHBondContact O-N 2.82Å; K14-L17 CarbonylContact O-C 3.56Å; K14-L17 WeakPolarHBondContact O-CA 3.36Å; K14-L17 WeakPolarHBondContact O-CB 3.44Å; K14-L17 PolarHBondContact O-N 3.5Å; K14-L17 VanDerWaalsContact O-N 3.11Å; T15-L17 VanDerWaalsContact C-N 3.32Å; T15-L17 PolarHBondContact O-N 3.03Å; L17-H19 PolarHBondContact O-N 3.05Å; L17-R20 PolarHBondContact O-N 2.93Å; L17-L21 HydrophobicContact CD1-CD1 4.13Å; L17-L21 HydrophobicContact CD1-CD2 4.42Å; L17-L21 HydrophobicContact CD1-CG 3.9Å; L17-L21 HydrophobicContact CG-CD1 3.94Å; L17-L21 HydrophobicContact CG-CG 4.2Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.09Å; L17-V102 HydrophobicContact CD2-CG1 3.86Å; L17-Y152 HydrophobicContact CD1-CD1 4.3Å; L17-Y152 HydrophobicContact CD1-CD2 3.98Å; L17-Y152 HydrophobicContact CD1-CE1 3.94Å; L17-Y152 HydrophobicContact CD1-CE2 3.58Å; L17-Y152 HydrophobicContact CD1-CG 4.31Å; L17-Y152 HydrophobicContact CD2-CD1 3.66Å; L17-Y152 HydrophobicContact CD2-CD2 4.07Å; L17-Y152 HydrophobicContact CD2-CE1 4.07Å; L17-Y152 HydrophobicContact CD2-CE2 4.44Å; L17-Y152 HydrophobicContact CD2-CG 3.65Å; L17-Y152 HydrophobicContact CG-CD1 4.46Å; L17-Y152 HydrophobicContact CG-CE1 4.4Å; L17-L160 HydrophobicContact CD1-CD1 4.18Å; L17-L163 HydrophobicContact CD1-CD2 4.14Å; L17-L163 HydrophobicContact CD2-CD2 4.19Å |
| 18 | A | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.5 | -48.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L6 K14 T15 L21 K22 L36 I74 D76 | L6-A18 HydrophobicContact CD1-CB 3.71Å; K14-A18 PolarHBondContact O-N 3.27Å; T15-A18 WeakPolarHBondContact O-CB 3.34Å; T15-A18 PolarHBondContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.3Å; A18-K22 PolarHBondContact O-N 3.1Å; A18-K22 VanDerWaalsContact O-N 3.09Å; A18-L36 HydrophobicContact CB-CD2 4.15Å; A18-L36 WeakPolarHBondContact O-CD2 3.41Å; A18-I74 HydrophobicContact CB-CG2 4.16Å; A18-D76 HydrophobicContact CB-CB 4.04Å |
| 19 | H | 96.6 | Very high | 93.9 | Very high | 88 Ų | 88 | 51.5 Ų | 51.5 | 41% | 0.407 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.9 | -45.3 | 175.7 | -76.2 | -71.4 | 0 | 0 | 0 | 111.8 | T15 L17 L21 K22 E23 | T15-H19 PolarHBondContact O-CD2 2.84Å; T15-H19 PolarHBondContact O-N 3.41Å; T15-H19 VanDerWaalsContact O-N 3.1Å; L17-H19 PolarHBondContact O-N 3.05Å; H19-L21 VanDerWaalsContact C-N 3.34Å; H19-L21 PolarHBondContact O-N 3.39Å; H19-K22 WeakPolarHBondContact O-CB 3.44Å; H19-K22 PolarHBondContact O-N 3.25Å; H19-K22 VanDerWaalsContact O-N 3.14Å; H19-E23 PolarHBondContact O-N 3.36Å |
| 20 | R | 96 | Very high | 93.4 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.6 | -42.4 | 178 | -166.7 | 169.5 | -170 | -168.3 | -5.9 | 112.2 | A16 L17 K22 E23 E24 L160 | A16-R20 WeakPolarHBondContact O-CB 3.48Å; A16-R20 PolarHBondContact O-N 3.01Å; L17-R20 PolarHBondContact O-N 2.93Å; R20-K22 VanDerWaalsContact C-N 3.34Å; R20-K22 PolarHBondContact O-N 2.67Å; R20-E23 PolarHBondContact O-N 3.38Å; R20-E24 HydrophobicContact CG-CG 4.08Å; R20-E24 VanDerWaalsContact O-CB 3.3Å; R20-E24 WeakPolarHBondContact O-CB 3.5Å; R20-E24 VanDerWaalsContact O-CG 3.25Å; R20-E24 WeakPolarHBondContact O-CG 3.37Å; R20-E24 PolarHBondContact O-N 3.14Å; R20-L160 HydrophobicContact CG-CD1 4.41Å; R20-L160 HydrophobicContact CG-CD2 3.96Å |
| 21 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -40.8 | 175.3 | -74.7 | 173.1 | 0 | 0 | 0 | 111.9 | L6 L17 A18 H19 E23 E24 L25 I74 L160 L163 I167 | L6-L21 HydrophobicContact CD2-CD1 4.35Å; L17-L21 HydrophobicContact CD1-CD1 4.13Å; L17-L21 HydrophobicContact CD1-CD2 4.42Å; L17-L21 HydrophobicContact CD1-CG 3.9Å; L17-L21 HydrophobicContact CG-CD1 3.94Å; L17-L21 HydrophobicContact CG-CG 4.2Å; L17-L21 WeakPolarHBondContact O-CB 3.48Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.44Å; L17-L21 PolarHBondContact O-N 3.09Å; A18-L21 PolarHBondContact O-N 3.3Å; H19-L21 VanDerWaalsContact C-N 3.34Å; H19-L21 PolarHBondContact O-N 3.39Å; L21-E23 PolarHBondContact O-N 3.03Å; L21-E24 PolarHBondContact O-N 2.89Å; L21-L25 HydrophobicContact CB-CD1 4.28Å; L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 3.24Å; L21-I74 HydrophobicContact CB-CD1 3.55Å; L21-I74 HydrophobicContact CD1-CD1 4.13Å; L21-L160 HydrophobicContact CD2-CD1 4.02Å; L21-L163 HydrophobicContact CD1-CD2 4.17Å; L21-L163 HydrophobicContact CD2-CD2 3.92Å; L21-L163 HydrophobicContact CD2-CG 4.07Å; L21-L163 HydrophobicContact CG-CD2 4.5Å; L21-I167 HydrophobicContact CD1-CD1 4.22Å; L21-I167 HydrophobicContact CD2-CD1 3.9Å |
| 22 | K | 95.3 | Very high | 92.6 | Very high | 99 Ų | 99 | 58.6 Ų | 58.6 | 43% | 0.43 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 176.3 | -170.1 | -177.7 | -174.4 | 174.5 | 0 | 112.2 | A18 H19 R20 V34 L36 | A18-K22 PolarHBondContact O-N 3.1Å; A18-K22 VanDerWaalsContact O-N 3.09Å; H19-K22 WeakPolarHBondContact O-CB 3.44Å; H19-K22 PolarHBondContact O-N 3.25Å; H19-K22 VanDerWaalsContact O-N 3.14Å; R20-K22 VanDerWaalsContact C-N 3.34Å; R20-K22 PolarHBondContact O-N 2.67Å; K22-V34 HydrophobicContact CB-CG1 4.27Å; K22-V34 WeakPolarHBondContact CE-O 3.29Å; K22-V34 HydrophobicContact CG-CB 4.21Å; K22-V34 HydrophobicContact CG-CG1 4.17Å; K22-L36 HydrophobicContact CB-CD1 4.43Å; K22-L36 HydrophobicContact CB-CD2 4.28Å; K22-L36 HydrophobicContact CD-CD1 3.95Å; K22-L36 HydrophobicContact CD-CG 4.01Å |
| 23 | E | 94.9 | Very high | 92.6 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -81.7 | -35.4 | -179.8 | -66.5 | 174.5 | -179.9 | 0 | 0 | 113.2 | H19 R20 L21 | H19-E23 PolarHBondContact O-N 3.36Å; R20-E23 PolarHBondContact O-N 3.38Å; L21-E23 PolarHBondContact O-N 3.03Å |
| 24 | E | 94.9 | Very high | 92.6 | Very high | 36 Ų | 36 | 62 Ų | 62 | 17% | 0.168 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -85.4 | -38.3 | -173.3 | -71.8 | -65.7 | 139.7 | 0 | 0 | 113.4 | R20 L21 P26 K27 Y28 L160 | R20-E24 HydrophobicContact CG-CG 4.08Å; R20-E24 VanDerWaalsContact O-CB 3.3Å; R20-E24 WeakPolarHBondContact O-CB 3.5Å; R20-E24 VanDerWaalsContact O-CG 3.25Å; R20-E24 WeakPolarHBondContact O-CG 3.37Å; R20-E24 PolarHBondContact O-N 3.14Å; L21-E24 PolarHBondContact O-N 2.89Å; E24-P26 VanDerWaalsContact C-CD 3.4Å; E24-P26 VanDerWaalsContact C-N 3.32Å; E24-P26 VanDerWaalsContact O-N 3.16Å; E24-K27 VanDerWaalsContact O-CB 3.27Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3Å; E24-K27 IonicContact OE1-NZ 2.7Å; E24-K27 PolarHBondContact OE1-NZ 2.84Å; E24-K27 WeakPolarHBondContact OE2-CD 3.45Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 3.23Å; E24-Y28 HydrophobicContact CB-CE2 4.47Å; E24-Y28 WeakPolarHBondContact O-CD2 3.37Å; E24-L160 HydrophobicContact CG-CD2 4.17Å |
| 25 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -52.2 | -39.7 | -174.9 | -77.3 | 167.5 | 0 | 0 | 0 | 114.5 | L21 K27 Y28 C30 V34 I72 I74 C164 I167 | L21-L25 HydrophobicContact CB-CD1 4.28Å; L21-L25 VanDerWaalsContact O-CB 3.3Å; L21-L25 WeakPolarHBondContact O-CB 3.42Å; L21-L25 WeakPolarHBondContact O-CD1 3.32Å; L21-L25 WeakPolarHBondContact O-CG 3.42Å; L21-L25 PolarHBondContact O-N 3.24Å; L25-K27 PolarHBondContact O-N 3.03Å; L25-K27 VanDerWaalsContact O-N 3.17Å; L25-Y28 PolarHBondContact O-N 2.92Å; L25-C30 HydrophobicContact CB-CB 4.3Å; L25-C30 VanDerWaalsContact O-CB 3.25Å; L25-C30 WeakPolarHBondContact O-CB 3.27Å; L25-V34 HydrophobicContact CB-CG2 4.17Å; L25-V34 HydrophobicContact CD1-CG1 4.06Å; L25-V34 HydrophobicContact CD1-CG2 4.06Å; L25-I72 HydrophobicContact CD1-CD1 3.94Å; L25-I72 HydrophobicContact CD1-CG2 4.26Å; L25-I74 HydrophobicContact CD1-CD1 4.21Å; L25-C164 HydrophobicContact CD2-CB 4.32Å; L25-I167 HydrophobicContact CD1-CG2 4.21Å; L25-I167 HydrophobicContact CD2-CB 3.86Å; L25-I167 HydrophobicContact CD2-CD1 4.23Å; L25-I167 HydrophobicContact CD2-CG2 3.66Å |
| 26 | P | 91.1 | Very high | 92.7 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -56 | -29.9 | 174.6 | -27.7 | 36.6 | 0 | 0 | 0 | 114.4 | E24 Y28 G29 | E24-P26 VanDerWaalsContact C-CD 3.4Å; E24-P26 VanDerWaalsContact C-N 3.32Å; E24-P26 VanDerWaalsContact O-N 3.16Å; P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 PolarHBondContact O-N 3.49Å; P26-G29 PolarHBondContact O-N 2.96Å |
| 27 | K | 92.2 | Very high | 92.8 | Very high | 144 Ų | 144 | 58.7 Ų | 58.7 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -72.2 | -18.5 | 179 | -54.7 | 177.1 | -170.8 | 169.9 | 0 | 113 | E24 L25 G29 | E24-K27 VanDerWaalsContact O-CB 3.27Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3Å; E24-K27 IonicContact OE1-NZ 2.7Å; E24-K27 PolarHBondContact OE1-NZ 2.84Å; E24-K27 WeakPolarHBondContact OE2-CD 3.45Å; E24-K27 IonicContact OE2-NZ 3Å; E24-K27 PolarHBondContact OE2-NZ 3.23Å; L25-K27 PolarHBondContact O-N 3.03Å; L25-K27 VanDerWaalsContact O-N 3.17Å; K27-G29 VanDerWaalsContact C-N 3.34Å |
| 28 | Y | 91.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 62.6 Ų | 62.6 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -98.5 | 25.7 | 179.9 | -66.4 | -99.2 | 0 | 0 | 0 | 112.1 | E24 L25 P26 C30 P161 C164 | E24-Y28 HydrophobicContact CB-CE2 4.47Å; E24-Y28 WeakPolarHBondContact O-CD2 3.37Å; L25-Y28 PolarHBondContact O-N 2.92Å; P26-Y28 VanDerWaalsContact C-N 3.25Å; P26-Y28 PolarHBondContact O-N 3.49Å; Y28-C30 VanDerWaalsContact C-N 3.28Å; Y28-C30 PolarHBondContact O-N 2.94Å; Y28-P161 HydrophobicContact CE1-CB 4.31Å; Y28-P161 WeakPolarHBondContact OH-CA 3.3Å; Y28-P161 WeakPolarHBondContact OH-CB 3.29Å; Y28-C164 HydrophobicContact CD1-CB 3.82Å; Y28-C164 HydrophobicContact CD2-CB 3.48Å; Y28-C164 VanDerWaalsContact CD2-CB 3.48Å; Y28-C164 HydrophobicContact CE1-CB 3.9Å; Y28-C164 HydrophobicContact CE2-CB 3.59Å; Y28-C164 HydrophobicContact CG-CB 3.63Å |
| 29 | G | 82.8 | Confident | 92.1 | Very high | 61 Ų | 61 | 64 Ų | 64 | 63% | 0.629 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 11.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | P26 K27 V31 | P26-G29 PolarHBondContact O-N 2.96Å; K27-G29 VanDerWaalsContact C-N 3.34Å; G29-V31 PolarHBondContact O-N 3.05Å; G29-V31 VanDerWaalsContact O-N 3.13Å |
| 30 | C | 83.4 | Confident | 91.1 | Very high | 14 Ų | 14 | 63.9 Ų | 63.9 | 10% | 0.095 | 34% | 0.336 | C | S | . | . | trans | -76.7 | 99.4 | 174.6 | -177 | 0 | 0 | 0 | 0 | 110.7 | L25 Y28 H32 I72 | L25-C30 HydrophobicContact CB-CB 4.3Å; L25-C30 VanDerWaalsContact O-CB 3.25Å; L25-C30 WeakPolarHBondContact O-CB 3.27Å; Y28-C30 VanDerWaalsContact C-N 3.28Å; Y28-C30 PolarHBondContact O-N 2.94Å; C30-H32 PolarHBondContact O-N 3.38Å; C30-I72 HydrophobicContact CB-CD1 4.45Å; C30-I72 WeakPolarHBondContact SG-CD1 3.33Å | ||
| 31 | V | 83.6 | Confident | 90.1 | Very high | 133 Ų | 133 | 60.9 Ų | 60.9 | 81% | 0.806 | 33% | 0.329 | S | S | * | . | trans | -78.1 | -5.4 | 174.2 | -63.2 | 0 | 0 | 0 | 0 | 113.7 | G29 | G29-V31 PolarHBondContact O-N 3.05Å; G29-V31 VanDerWaalsContact O-N 3.13Å | ||
| 32 | H | 85.8 | Confident | 89.4 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 35% | 0.352 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -81.9 | 146.5 | -177.1 | -61.7 | -62.1 | 0 | 0 | 0 | 111.8 | M1 C30 V34 N70 | M1-H32 HydrophobicContact CG-CB 3.8Å; M1-H32 WeakPolarHBondContact CG-CD2 3.27Å; M1-H32 HydrophobicContact SD-CB 4.36Å; C30-H32 PolarHBondContact O-N 3.38Å; H32-V34 PolarHBondContact O-N 3.03Å; H32-N70 VanDerWaalsContact CB-O 3.32Å; H32-N70 WeakPolarHBondContact CB-O 3.43Å; H32-N70 PolarHBondContact ND1-O 3.12Å |
| 33 | E | 92.9 | Very high | 88.8 | Confident | 99 Ų | 99 | 60.6 Ų | 60.6 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 130.8 | 172 | -177.8 | -178.1 | -155.9 | 0 | 0 | 110.1 | L35 R71 I72 | E33-L35 HydrophobicContact CG-CD2 3.91Å; E33-L35 HydrophobicContact CG-CG 4.07Å; E33-R71 HydrophobicContact CB-CG 4.3Å; E33-R71 CarbonylContact O-C 3.55Å; E33-R71 VanDerWaalsContact O-C 3.31Å; E33-R71 WeakPolarHBondContact O-CA 3.29Å; E33-R71 IonicContact OE2-CZ 3.24Å; E33-R71 IonicContact OE2-NE 2.68Å; E33-R71 PolarHBondContact OE2-NE 3.34Å; E33-R71 IonicContact OE2-NH2 3.88Å; E33-I72 PolarHBondContact O-N 2.98Å |
| 34 | V | 94.6 | Very high | 88.2 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.8 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 109.8 | K22 L25 H32 I72 I74 | K22-V34 HydrophobicContact CB-CG1 4.27Å; K22-V34 WeakPolarHBondContact CE-O 3.29Å; K22-V34 HydrophobicContact CG-CB 4.21Å; K22-V34 HydrophobicContact CG-CG1 4.17Å; L25-V34 HydrophobicContact CB-CG2 4.17Å; L25-V34 HydrophobicContact CD1-CG1 4.06Å; L25-V34 HydrophobicContact CD1-CG2 4.06Å; H32-V34 PolarHBondContact O-N 3.03Å; V34-I72 CarbonylContact C-O 3.51Å; V34-I72 WeakPolarHBondContact CA-O 3.34Å; V34-I72 HydrophobicContact CG1-CB 4.29Å; V34-I72 HydrophobicContact CG1-CG2 4.32Å; V34-I72 HydrophobicContact CG2-CB 4.24Å; V34-I72 HydrophobicContact CG2-CD1 4.39Å; V34-I74 HydrophobicContact CG1-CD1 3.68Å; V34-I74 HydrophobicContact CG1-CG1 4.14Å |
| 35 | L | 96.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 58 Ų | 58 | 16% | 0.157 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.9 | -177.5 | -62.3 | 177.9 | 0 | 0 | 0 | 110.5 | E33 L66 I72 I74 | E33-L35 HydrophobicContact CG-CD2 3.91Å; E33-L35 HydrophobicContact CG-CG 4.07Å; L35-L66 HydrophobicContact CD1-CB 4.13Å; L35-L66 HydrophobicContact CD1-CD1 4.37Å; L35-L66 HydrophobicContact CD1-CD2 4.08Å; L35-L66 HydrophobicContact CD1-CG 4.41Å; L35-I72 PolarHBondContact N-O 3.46Å; L35-I74 PolarHBondContact O-N 2.85Å |
| 36 | L | 96.5 | Very high | 87.5 | Confident | 35 Ų | 35 | 58.5 Ų | 58.5 | 18% | 0.183 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135 | 175 | -57.2 | -176.5 | 0 | 0 | 0 | 109.6 | A18 K22 L38 I74 | A18-L36 HydrophobicContact CB-CD2 4.15Å; A18-L36 WeakPolarHBondContact O-CD2 3.41Å; K22-L36 HydrophobicContact CB-CD1 4.43Å; K22-L36 HydrophobicContact CB-CD2 4.28Å; K22-L36 HydrophobicContact CD-CD1 3.95Å; K22-L36 HydrophobicContact CD-CG 4.01Å; L36-L38 HydrophobicContact CB-CD2 4.09Å; L36-I74 HydrophobicContact CD2-CB 3.68Å; L36-I74 HydrophobicContact CD2-CD1 3.88Å; L36-I74 HydrophobicContact CD2-CG1 4.17Å; L36-I74 HydrophobicContact CD2-CG2 4.21Å |
| 37 | V | 96.4 | Very high | 87.4 | Confident | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.8 | 167.4 | -172.4 | 0 | 0 | 0 | 0 | 106.8 | L59 V63 L66 V73 I74 D76 | V37-L59 HydrophobicContact CB-CD1 4.48Å; V37-L59 HydrophobicContact CG1-CD1 3.54Å; V37-L59 HydrophobicContact CG1-CG 4.36Å; V37-V63 HydrophobicContact CB-CG2 4.37Å; V37-V63 HydrophobicContact CG1-CG2 4.25Å; V37-V63 HydrophobicContact CG2-CG2 4.23Å; V37-L66 HydrophobicContact CG2-CD1 3.72Å; V37-V73 HydrophobicContact CG2-CG1 3.76Å; V37-I74 PolarHBondContact N-O 3.28Å; V37-D76 PolarHBondContact O-N 2.65Å |
| 38 | L | 92.6 | Very high | 87.4 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 45% | 0.45 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 138.9 | -177 | -51.3 | -179.6 | 0 | 0 | 0 | 110.1 | L36 D76 | L36-L38 HydrophobicContact CB-CD2 4.09Å; L38-D76 HydrophobicContact CD2-CB 3.64Å |
| 39 | D | 87 | Confident | 87.3 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.15 | 34% | 0.343 | C | S | . | . | trans | -85 | 154.8 | 167.7 | -155.9 | -8 | 0 | 0 | 0 | 111 | D41 S55 L59 D76 S77 | D39-D41 PolarHBondContact O-N 3.13Å; D39-S55 PolarHBondContact OD1-OG 3.04Å; D39-S55 PolarHBondContact OD2-OG 2.68Å; D39-L59 HydrophobicContact CB-CD1 4.28Å; D39-D76 WeakPolarHBondContact CB-O 3.4Å; D39-D76 PolarHBondContact N-O 3.36Å; D39-S77 WeakPolarHBondContact OD2-CB 3.14Å; D39-S77 PolarHBondContact OD2-OG 3.37Å | ||
| 40 | S | 75.6 | Confident | 87.7 | Confident | 86 Ų | 86 | 58.3 Ų | 58.3 | 60% | 0.601 | 33% | 0.33 | S | S | * | . | trans | -95 | 68.6 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 109.8 | S42 I45 | S40-S42 PolarHBondContact O-N 3.29Å; S40-S42 VanDerWaalsContact O-N 3.15Å; S40-I45 WeakPolarHBondContact O-CD1 3.36Å | ||
| 41 | D | 75.1 | Confident | 88.2 | Confident | 55 Ų | 55 | 58.7 Ų | 58.7 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | trans | -61.8 | 119.1 | 178.9 | -79.7 | -15.1 | 0 | 0 | 0 | 110.1 | D39 M46 F125 | D39-D41 PolarHBondContact O-N 3.13Å; D41-M46 HydrophobicContact CB-CE 4.12Å; D41-F125 HydrophobicContact CB-CZ 4.24Å | ||
| 42 | S | 81 | Confident | 88.5 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -148.7 | 157.6 | 177.9 | 64.9 | 0 | 0 | 0 | 0 | 111.6 | S40 S44 I45 M46 | S40-S42 PolarHBondContact O-N 3.29Å; S40-S42 VanDerWaalsContact O-N 3.15Å; S42-S44 PolarHBondContact O-N 3.25Å; S42-S44 PolarHBondContact OG-OG 3.44Å; S42-S44 VanDerWaalsContact OG-OG 3.1Å; S42-I45 PolarHBondContact O-N 3.3Å; S42-I45 VanDerWaalsContact O-N 3.15Å; S42-I45 WeakPolarHBondContact OG-CD1 3.42Å; S42-I45 WeakPolarHBondContact OG-CG1 3.39Å; S42-I45 PolarHBondContact OG-N 3.04Å; S42-M46 WeakPolarHBondContact O-CG 3.44Å; S42-M46 PolarHBondContact O-N 3.05Å | ||
| 43 | N | 82.1 | Confident | 88.8 | Confident | 57 Ų | 57 | 57 Ų | 57 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -56.4 | -38.4 | 177.5 | -73.6 | -42.2 | 0 | 0 | 0 | 112.9 | K47 F125 D126 | N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.24Å; N43-K47 PolarHBondContact O-N 3.05Å; N43-F125 WeakPolarHBondContact OD1-CA 3.33Å; N43-F125 WeakPolarHBondContact OD1-CB 2.64Å; N43-F125 WeakPolarHBondContact OD1-CD1 3.26Å; N43-D126 PolarHBondContact OD1-N 3.24Å |
| 44 | S | 83.3 | Confident | 88.8 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 59% | 0.587 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -65.7 | -41.6 | 178.8 | 49.1 | 0 | 0 | 0 | 0 | 111.4 | S42 K47 D48 | S42-S44 PolarHBondContact O-N 3.25Å; S42-S44 PolarHBondContact OG-OG 3.44Å; S42-S44 VanDerWaalsContact OG-OG 3.1Å; S44-K47 PolarHBondContact O-N 3.17Å; S44-D48 PolarHBondContact O-N 2.96Å |
| 45 | I | 87 | Confident | 88.7 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.159 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66 | -47.4 | 177.1 | -71.7 | 167.4 | 0 | 0 | 0 | 110.3 | S40 S42 K47 D48 A51 E52 | S40-I45 WeakPolarHBondContact O-CD1 3.36Å; S42-I45 PolarHBondContact O-N 3.3Å; S42-I45 VanDerWaalsContact O-N 3.15Å; S42-I45 WeakPolarHBondContact OG-CD1 3.42Å; S42-I45 WeakPolarHBondContact OG-CG1 3.39Å; S42-I45 PolarHBondContact OG-N 3.04Å; I45-K47 PolarHBondContact O-N 3.46Å; I45-D48 PolarHBondContact O-N 3.14Å; I45-A51 HydrophobicContact CB-CB 4.5Å; I45-A51 HydrophobicContact CG1-CB 4.11Å; I45-E52 HydrophobicContact CG2-CG 4.12Å; I45-E52 WeakPolarHBondContact O-CG 3.48Å |
| 46 | M | 87.3 | Confident | 88.6 | Confident | 11 Ų | 11 | 59 Ų | 59 | 5% | 0.054 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.9 | -22.9 | -178.7 | -66.3 | -179.9 | -166.1 | 0 | 0 | 114.5 | P10 D41 S42 F125 A129 A133 R136 | P10-M46 HydrophobicContact CB-CE 3.84Å; P10-M46 HydrophobicContact CG-CE 3.83Å; P10-M46 HydrophobicContact CG-SD 4.3Å; D41-M46 HydrophobicContact CB-CE 4.12Å; S42-M46 WeakPolarHBondContact O-CG 3.44Å; S42-M46 PolarHBondContact O-N 3.05Å; M46-F125 HydrophobicContact CE-CD1 3.74Å; M46-F125 HydrophobicContact CE-CD2 4.37Å; M46-F125 HydrophobicContact CE-CE1 3.46Å; M46-F125 VanDerWaalsContact CE-CE1 3.46Å; M46-F125 HydrophobicContact CE-CE2 4.11Å; M46-F125 HydrophobicContact CE-CG 4.2Å; M46-F125 HydrophobicContact CE-CZ 3.67Å; M46-F125 HydrophobicContact SD-CD1 4.06Å; M46-F125 HydrophobicContact SD-CE1 4.37Å; M46-F125 HydrophobicContact SD-CG 4.36Å; M46-A129 HydrophobicContact CB-CB 4.13Å; M46-A133 HydrophobicContact CG-CB 4.45Å; M46-A133 HydrophobicContact SD-CB 4.21Å; M46-R136 PolarHBondContact O-NH2 3.38Å |
| 47 | K | 88.7 | Confident | 88.4 | Confident | 127 Ų | 127 | 60.2 Ų | 60.2 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -90.9 | -17 | -179.8 | -71.7 | -177.7 | -179.8 | -170 | 0 | 113.4 | N43 S44 I45 D126 A129 | N43-K47 WeakPolarHBondContact O-CB 3.48Å; N43-K47 VanDerWaalsContact O-CG 3.29Å; N43-K47 WeakPolarHBondContact O-CG 3.24Å; N43-K47 PolarHBondContact O-N 3.05Å; S44-K47 PolarHBondContact O-N 3.17Å; I45-K47 PolarHBondContact O-N 3.46Å; K47-D126 WeakPolarHBondContact CE-OD2 3.33Å; K47-D126 IonicContact NZ-OD1 2.86Å; K47-D126 PolarHBondContact NZ-OD1 2.92Å; K47-D126 IonicContact NZ-OD2 3.18Å; K47-D126 PolarHBondContact NZ-OD2 3.34Å; K47-A129 HydrophobicContact CD-CB 4.31Å; K47-A129 HydrophobicContact CG-CB 3.73Å |
| 48 | D | 91 | Very high | 88.3 | Confident | 70 Ų | 70 | 62.6 Ų | 62.6 | 37% | 0.374 | 36% | 0.356 | S | S | . | . | trans | -121.7 | 113 | -176.2 | 175.5 | 21.5 | 0 | 0 | 0 | 112.3 | S44 I45 V50 A51 E52 | S44-D48 PolarHBondContact O-N 2.96Å; I45-D48 PolarHBondContact O-N 3.14Å; D48-V50 PolarHBondContact O-N 3.44Å; D48-V50 VanDerWaalsContact O-N 3.14Å; D48-V50 WeakPolarHBondContact OD1-CB 3.46Å; D48-V50 PolarHBondContact OD1-N 2.86Å; D48-A51 HydrophobicContact CB-CB 3.9Å; D48-A51 WeakPolarHBondContact O-CB 3.37Å; D48-A51 PolarHBondContact O-N 3.14Å; D48-A51 VanDerWaalsContact O-N 3.1Å; D48-A51 WeakPolarHBondContact OD2-CB 3.4Å; D48-A51 PolarHBondContact OD2-N 3.37Å; D48-E52 PolarHBondContact O-N 3Å | ||
| 49 | S | 89.5 | Confident | 88.4 | Confident | 87 Ų | 87 | 58.8 Ų | 58.8 | 61% | 0.608 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -55.7 | -30.1 | 176.6 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | R53 | S49-R53 WeakPolarHBondContact O-CB 3.45Å; S49-R53 PolarHBondContact O-N 3.38Å; S49-R53 VanDerWaalsContact O-N 3.1Å |
| 50 | V | 92.7 | Very high | 88.9 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 35% | 0.352 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -72.9 | -46.8 | 177.8 | 179.4 | 0 | 0 | 0 | 0 | 109.7 | D48 R53 M54 | D48-V50 PolarHBondContact O-N 3.44Å; D48-V50 VanDerWaalsContact O-N 3.14Å; D48-V50 WeakPolarHBondContact OD1-CB 3.46Å; D48-V50 PolarHBondContact OD1-N 2.86Å; V50-R53 WeakPolarHBondContact O-CB 3.49Å; V50-R53 PolarHBondContact O-N 2.84Å; V50-M54 HydrophobicContact CG1-CE 3.84Å; V50-M54 HydrophobicContact CG1-SD 4.37Å; V50-M54 WeakPolarHBondContact O-CG 3.36Å; V50-M54 PolarHBondContact O-N 3.12Å |
| 51 | A | 92.4 | Very high | 89.8 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 18% | 0.182 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.7 | -44.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I45 D48 R53 M54 S55 | I45-A51 HydrophobicContact CB-CB 4.5Å; I45-A51 HydrophobicContact CG1-CB 4.11Å; D48-A51 HydrophobicContact CB-CB 3.9Å; D48-A51 WeakPolarHBondContact O-CB 3.37Å; D48-A51 PolarHBondContact O-N 3.14Å; D48-A51 VanDerWaalsContact O-N 3.1Å; D48-A51 WeakPolarHBondContact OD2-CB 3.4Å; D48-A51 PolarHBondContact OD2-N 3.37Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 3.48Å; A51-M54 PolarHBondContact O-N 3.44Å; A51-S55 PolarHBondContact O-N 3.44Å |
| 52 | E | 90.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 174 | -65.1 | -167.3 | 142.6 | 0 | 0 | 111.4 | I45 D48 M54 S55 R56 Y80 R136 | I45-E52 HydrophobicContact CG2-CG 4.12Å; I45-E52 WeakPolarHBondContact O-CG 3.48Å; D48-E52 PolarHBondContact O-N 3Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-M54 PolarHBondContact O-N 3.48Å; E52-S55 PolarHBondContact O-N 3.35Å; E52-R56 VanDerWaalsContact C-NH1 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 2.92Å; E52-R56 PolarHBondContact O-NH1 3.45Å; E52-Y80 VanDerWaalsContact CD-OH 3.3Å; E52-Y80 PolarHBondContact OE2-OH 3.5Å; E52-R136 IonicContact OE1-CZ 3.06Å; E52-R136 IonicContact OE1-NE 3.48Å; E52-R136 IonicContact OE1-NH2 3.59Å; E52-R136 PolarHBondContact OE1-NH2 3.02Å; E52-R136 IonicContact OE2-NE 3.23Å; E52-R136 IonicContact OE2-NH2 2.85Å |
| 53 | R | 92 | Very high | 91.6 | Very high | 154 Ų | 154 | 55.9 Ų | 55.9 | 58% | 0.581 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.8 | -41 | 178.3 | -176.2 | 179.6 | 65.6 | 172.1 | -0.3 | 111.7 | S49 V50 A51 A57 | S49-R53 WeakPolarHBondContact O-CB 3.45Å; S49-R53 PolarHBondContact O-N 3.38Å; S49-R53 VanDerWaalsContact O-N 3.1Å; V50-R53 WeakPolarHBondContact O-CB 3.49Å; V50-R53 PolarHBondContact O-N 2.84Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 3.48Å; R53-A57 PolarHBondContact O-N 3.15Å |
| 54 | M | 93.1 | Very high | 92.2 | Very high | 122 Ų | 122 | 58.3 Ų | 58.3 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67 | -42.8 | 177.8 | -71.9 | -176.5 | 176.5 | 0 | 0 | 112 | V50 A51 E52 R56 A57 A58 | V50-M54 HydrophobicContact CG1-CE 3.84Å; V50-M54 HydrophobicContact CG1-SD 4.37Å; V50-M54 WeakPolarHBondContact O-CG 3.36Å; V50-M54 PolarHBondContact O-N 3.12Å; A51-M54 PolarHBondContact O-N 3.44Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-M54 PolarHBondContact O-N 3.48Å; M54-R56 PolarHBondContact O-N 2.96Å; M54-A57 PolarHBondContact O-N 3.08Å; M54-A58 PolarHBondContact O-N 3.02Å |
| 55 | S | 92.1 | Very high | 92.7 | Very high | 17 Ų | 17 | 61.7 Ų | 61.7 | 12% | 0.119 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.7 | 135.5 | 0 | 0 | 0 | 0 | 110.6 | D39 A51 E52 A57 A58 L59 | D39-S55 PolarHBondContact OD1-OG 3.04Å; D39-S55 PolarHBondContact OD2-OG 2.68Å; A51-S55 PolarHBondContact O-N 3.44Å; E52-S55 PolarHBondContact O-N 3.35Å; S55-A57 VanDerWaalsContact C-N 3.34Å; S55-A57 PolarHBondContact O-N 3.31Å; S55-A58 PolarHBondContact O-N 3.42Å; S55-L59 WeakPolarHBondContact O-CB 3.37Å; S55-L59 PolarHBondContact O-N 3.38Å |
| 56 | R | 93.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 62.7 Ų | 62.7 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.9 | -71.6 | -166.3 | -51.1 | -84.2 | 11.5 | 113 | E52 M54 L59 K60 Y80 F84 | E52-R56 VanDerWaalsContact C-NH1 3.29Å; E52-R56 WeakPolarHBondContact O-CG 3.47Å; E52-R56 PolarHBondContact O-N 2.92Å; E52-R56 PolarHBondContact O-NH1 3.45Å; M54-R56 PolarHBondContact O-N 2.96Å; R56-L59 PolarHBondContact O-N 2.93Å; R56-K60 WeakPolarHBondContact O-CB 3.33Å; R56-K60 PolarHBondContact O-N 3.42Å; R56-Y80 PolarHBondContact NH1-OH 3.39Å; R56-F84 HydrophobicContact CB-CD2 4.14Å; R56-F84 HydrophobicContact CB-CE2 3.81Å; R56-F84 HydrophobicContact CB-CZ 4.12Å; R56-F84 HydrophobicContact CG-CD2 4.4Å; R56-F84 HydrophobicContact CG-CE1 4.5Å; R56-F84 HydrophobicContact CG-CE2 4.36Å; R56-F84 HydrophobicContact CG-CG 4.48Å; R56-F84 HydrophobicContact CG-CZ 4.41Å; R56-F84 WeakPolarHBondContact O-CE2 3.28Å |
| 57 | A | 93.5 | Very high | 93.4 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 50% | 0.504 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | R53 M54 S55 S61 | R53-A57 PolarHBondContact O-N 3.15Å; M54-A57 PolarHBondContact O-N 3.08Å; S55-A57 VanDerWaalsContact C-N 3.34Å; S55-A57 PolarHBondContact O-N 3.31Å; A57-S61 WeakPolarHBondContact O-CB 3.32Å; A57-S61 PolarHBondContact O-N 3.24Å |
| 58 | A | 94 | Very high | 93.6 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | M54 S55 S61 S62 | M54-A58 PolarHBondContact O-N 3.02Å; S55-A58 PolarHBondContact O-N 3.42Å; A58-S61 PolarHBondContact O-N 3.33Å; A58-S62 PolarHBondContact O-N 3.01Å; A58-S62 PolarHBondContact O-OG 3.14Å |
| 59 | L | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.031 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -50.7 | 177.1 | -168.8 | 75.3 | 0 | 0 | 0 | 111 | V37 D39 S55 R56 S61 S62 V63 V75 F84 | V37-L59 HydrophobicContact CB-CD1 4.48Å; V37-L59 HydrophobicContact CG1-CD1 3.54Å; V37-L59 HydrophobicContact CG1-CG 4.36Å; D39-L59 HydrophobicContact CB-CD1 4.28Å; S55-L59 WeakPolarHBondContact O-CB 3.37Å; S55-L59 PolarHBondContact O-N 3.38Å; R56-L59 PolarHBondContact O-N 2.93Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 3.18Å; L59-S62 WeakPolarHBondContact O-CB 3.39Å; L59-S62 PolarHBondContact O-N 3.35Å; L59-S62 VanDerWaalsContact O-N 3.16Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.06Å; L59-V75 HydrophobicContact CD1-CG1 4.18Å; L59-V75 HydrophobicContact CD2-CG1 3.7Å; L59-V75 HydrophobicContact CG-CG1 3.99Å; L59-F84 HydrophobicContact CB-CZ 4.43Å; L59-F84 HydrophobicContact CD2-CE1 3.87Å; L59-F84 HydrophobicContact CD2-CZ 4Å |
| 60 | K | 95.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.2 | -176.7 | -179.2 | 178.6 | -180 | 0 | 112.1 | R56 S62 V63 Q64 F84 E87 L91 | R56-K60 WeakPolarHBondContact O-CB 3.33Å; R56-K60 PolarHBondContact O-N 3.42Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-S62 PolarHBondContact O-N 3.07Å; K60-V63 PolarHBondContact O-N 3.28Å; K60-Q64 WeakPolarHBondContact O-CB 3.25Å; K60-Q64 PolarHBondContact O-N 3.26Å; K60-F84 HydrophobicContact CB-CE2 4.02Å; K60-F84 HydrophobicContact CB-CZ 4.32Å; K60-E87 WeakPolarHBondContact CD-OE2 3.34Å; K60-E87 WeakPolarHBondContact CE-OE2 3.36Å; K60-E87 IonicContact NZ-OE2 3.27Å; K60-E87 PolarHBondContact NZ-OE2 3.35Å; K60-L91 HydrophobicContact CD-CD1 4.5Å; K60-L91 HydrophobicContact CG-CD1 3.8Å |
| 61 | S | 95.5 | Very high | 93.5 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 177.7 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | A57 A58 L59 Q64 R65 | A57-S61 WeakPolarHBondContact O-CB 3.32Å; A57-S61 PolarHBondContact O-N 3.24Å; A58-S61 PolarHBondContact O-N 3.33Å; L59-S61 VanDerWaalsContact C-N 3.32Å; L59-S61 PolarHBondContact O-N 3.18Å; S61-Q64 PolarHBondContact O-N 2.91Å; S61-R65 WeakPolarHBondContact O-CG 3.44Å; S61-R65 PolarHBondContact O-N 3.49Å; S61-R65 PolarHBondContact O-NH1 3Å; S61-R65 PolarHBondContact OG-NH1 3.41Å |
| 62 | S | 96.2 | Very high | 93.6 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | A58 L59 K60 Q64 R65 L66 | A58-S62 PolarHBondContact O-N 3.01Å; A58-S62 PolarHBondContact O-OG 3.14Å; L59-S62 WeakPolarHBondContact O-CB 3.39Å; L59-S62 PolarHBondContact O-N 3.35Å; L59-S62 VanDerWaalsContact O-N 3.16Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-S62 PolarHBondContact O-N 3.07Å; S62-Q64 PolarHBondContact O-N 3.37Å; S62-R65 PolarHBondContact O-N 2.72Å; S62-R65 PolarHBondContact OG-NH2 2.89Å; S62-L66 WeakPolarHBondContact O-CG 3.39Å; S62-L66 PolarHBondContact O-N 2.87Å |
| 63 | V | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 174.9 | 174 | 0 | 0 | 0 | 0 | 110.9 | L3 V37 L59 K60 R65 L66 I67 V75 L88 | L3-V63 HydrophobicContact CD1-CG1 3.67Å; L3-V63 HydrophobicContact CD2-CG1 4.17Å; V37-V63 HydrophobicContact CB-CG2 4.37Å; V37-V63 HydrophobicContact CG1-CG2 4.25Å; V37-V63 HydrophobicContact CG2-CG2 4.23Å; L59-V63 WeakPolarHBondContact O-CG2 3.45Å; L59-V63 PolarHBondContact O-N 3.06Å; K60-V63 PolarHBondContact O-N 3.28Å; V63-R65 PolarHBondContact O-N 2.91Å; V63-L66 PolarHBondContact O-N 3.08Å; V63-I67 WeakPolarHBondContact O-CB 3.38Å; V63-I67 VanDerWaalsContact O-CG2 3.29Å; V63-I67 WeakPolarHBondContact O-CG2 3.4Å; V63-I67 PolarHBondContact O-N 2.91Å; V63-V75 HydrophobicContact CG2-CG1 4.27Å; V63-V75 HydrophobicContact CG2-CG2 3.55Å; V63-L88 HydrophobicContact CB-CD2 4.44Å; V63-L88 HydrophobicContact CG1-CD2 4.28Å; V63-L88 HydrophobicContact CG2-CD2 4.41Å |
| 64 | Q | 95.2 | Very high | 94.2 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.5 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.8 | -32.4 | -178.4 | -172.6 | 176.5 | 2.9 | 0 | 0 | 113 | K60 S61 S62 L91 | K60-Q64 WeakPolarHBondContact O-CB 3.25Å; K60-Q64 PolarHBondContact O-N 3.26Å; S61-Q64 PolarHBondContact O-N 2.91Å; S62-Q64 PolarHBondContact O-N 3.37Å; Q64-L91 HydrophobicContact CB-CD1 4.47Å; Q64-L91 HydrophobicContact CG-CD2 4.18Å |
| 65 | R | 94.5 | Very high | 94.4 | Very high | 156 Ų | 156 | 45.8 Ų | 45.8 | 59% | 0.589 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -73.6 | -29 | 175.7 | -72.6 | -170.5 | -63.5 | -85.2 | -0.4 | 113.7 | S61 S62 V63 | S61-R65 WeakPolarHBondContact O-CG 3.44Å; S61-R65 PolarHBondContact O-N 3.49Å; S61-R65 PolarHBondContact O-NH1 3Å; S61-R65 PolarHBondContact OG-NH1 3.41Å; S62-R65 PolarHBondContact O-N 2.72Å; S62-R65 PolarHBondContact OG-NH2 2.89Å; V63-R65 PolarHBondContact O-N 2.91Å |
| 66 | L | 95.2 | Very high | 94.6 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -99.8 | -27.7 | -170.5 | -63 | 180 | 0 | 0 | 0 | 113.5 | L35 V37 S62 V63 Q68 V73 | L35-L66 HydrophobicContact CD1-CB 4.13Å; L35-L66 HydrophobicContact CD1-CD1 4.37Å; L35-L66 HydrophobicContact CD1-CD2 4.08Å; L35-L66 HydrophobicContact CD1-CG 4.41Å; V37-L66 HydrophobicContact CG2-CD1 3.72Å; S62-L66 WeakPolarHBondContact O-CG 3.39Å; S62-L66 PolarHBondContact O-N 2.87Å; V63-L66 PolarHBondContact O-N 3.08Å; L66-Q68 PolarHBondContact O-N 3.43Å; L66-V73 HydrophobicContact CB-CG2 4.06Å |
| 67 | I | 93.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.051 | 23% | 0.234 | C | C | . | . | trans | -64.9 | 119.4 | -175.2 | -166.6 | 172.8 | 0 | 0 | 0 | 111.4 | L3 V63 A92 C95 V97 | L3-I67 HydrophobicContact CB-CD1 4.21Å; L3-I67 HydrophobicContact CD1-CD1 4.44Å; L3-I67 HydrophobicContact CD2-CD1 4Å; L3-I67 HydrophobicContact CG-CD1 4.46Å; V63-I67 WeakPolarHBondContact O-CB 3.38Å; V63-I67 VanDerWaalsContact O-CG2 3.29Å; V63-I67 WeakPolarHBondContact O-CG2 3.4Å; V63-I67 PolarHBondContact O-N 2.91Å; I67-A92 HydrophobicContact CD1-CB 4.48Å; I67-C95 HydrophobicContact CD1-CB 4.25Å; I67-C95 HydrophobicContact CG1-CB 4.1Å; I67-C95 HydrophobicContact CG2-CB 4.4Å; I67-C95 VanDerWaalsContact CG2-SG 3.59Å; I67-V97 HydrophobicContact CD1-CG2 3.61Å; I67-V97 HydrophobicContact CG1-CG1 4.41Å; I67-V97 HydrophobicContact CG1-CG2 3.74Å | ||
| 68 | Q | 91.4 | Very high | 94.7 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.318 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -147.9 | 157.7 | -179.1 | -65.4 | -176.8 | -2.3 | 0 | 0 | 110.4 | M1 L66 N70 R71 V97 | M1-Q68 WeakPolarHBondContact CE-O 3.13Å; L66-Q68 PolarHBondContact O-N 3.43Å; Q68-N70 WeakPolarHBondContact CB-OD1 3.34Å; Q68-N70 PolarHBondContact O-N 2.9Å; Q68-N70 PolarHBondContact OE1-OD1 2.78Å; Q68-R71 HydrophobicContact CB-CG 4.43Å; Q68-R71 PolarHBondContact O-N 3.05Å; Q68-V97 VanDerWaalsContact O-CG1 3.29Å; Q68-V97 WeakPolarHBondContact O-CG1 3.29Å |
| 69 | P | 89.5 | Confident | 94.8 | Very high | 88 Ų | 88 | 38.4 Ų | 38.4 | 57% | 0.571 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -5.5 | 178.2 | -27.5 | 36.5 | 0 | 0 | 0 | 117 | M1 | M1-P69 WeakPolarHBondContact CB-O 3.41Š|
| 70 | N | 90 | Very high | 94.7 | Very high | 82 Ų | 82 | 39.2 Ų | 39.2 | 44% | 0.439 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -130.6 | 13.3 | -172.2 | 65.5 | -26.1 | 0 | 0 | 0 | 115.2 | H32 Q68 | H32-N70 VanDerWaalsContact CB-O 3.32Å; H32-N70 WeakPolarHBondContact CB-O 3.43Å; H32-N70 PolarHBondContact ND1-O 3.12Å; Q68-N70 WeakPolarHBondContact CB-OD1 3.34Å; Q68-N70 PolarHBondContact O-N 2.9Å; Q68-N70 PolarHBondContact OE1-OD1 2.78Å |
| 71 | R | 93 | Very high | 94.6 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 24% | 0.238 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 114.7 | -176.7 | -64.7 | -179.5 | 162.9 | 166.1 | 5.6 | 117.9 | M1 E33 Q68 V73 | M1-R71 HydrophobicContact CE-CB 4.47Å; M1-R71 WeakPolarHBondContact CE-O 3.36Å; M1-R71 VanDerWaalsContact SD-CA 3.53Å; M1-R71 PolarHBondContact SD-N 3.19Å; E33-R71 HydrophobicContact CB-CG 4.3Å; E33-R71 CarbonylContact O-C 3.55Å; E33-R71 VanDerWaalsContact O-C 3.31Å; E33-R71 WeakPolarHBondContact O-CA 3.29Å; E33-R71 IonicContact OE2-CZ 3.24Å; E33-R71 IonicContact OE2-NE 2.68Å; E33-R71 PolarHBondContact OE2-NE 3.34Å; E33-R71 IonicContact OE2-NH2 3.88Å; Q68-R71 HydrophobicContact CB-CG 4.43Å; Q68-R71 PolarHBondContact O-N 3.05Å; R71-V73 PolarHBondContact O-N 3.03Å; R71-V73 VanDerWaalsContact O-N 3.16Å |
| 72 | I | 95 | Very high | 94.6 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.4 | -174.7 | -63 | 178 | 0 | 0 | 0 | 107.7 | M1 S2 V4 L25 C30 E33 V34 L35 I74 I167 | M1-I72 HydrophobicContact CG-CG1 4.26Å; M1-I72 WeakPolarHBondContact SD-CA 3.49Å; M1-I72 HydrophobicContact SD-CB 3.86Å; M1-I72 HydrophobicContact SD-CG1 3.22Å; M1-I72 WeakPolarHBondContact SD-CG1 3.33Å; M1-I72 PolarHBondContact SD-N 3.12Å; S2-I72 WeakPolarHBondContact O-CA 3.26Å; V4-I72 HydrophobicContact CG2-CG2 4.03Å; L25-I72 HydrophobicContact CD1-CD1 3.94Å; L25-I72 HydrophobicContact CD1-CG2 4.26Å; C30-I72 HydrophobicContact CB-CD1 4.45Å; C30-I72 WeakPolarHBondContact SG-CD1 3.33Å; E33-I72 PolarHBondContact O-N 2.98Å; V34-I72 CarbonylContact C-O 3.51Å; V34-I72 WeakPolarHBondContact CA-O 3.34Å; V34-I72 HydrophobicContact CG1-CB 4.29Å; V34-I72 HydrophobicContact CG1-CG2 4.32Å; V34-I72 HydrophobicContact CG2-CB 4.24Å; V34-I72 HydrophobicContact CG2-CD1 4.39Å; L35-I72 PolarHBondContact N-O 3.46Å; I72-I74 HydrophobicContact CG2-CG1 4.04Å; I72-I167 HydrophobicContact CD1-CG2 3.73Å; I72-I167 HydrophobicContact CG2-CG2 4.31Å |
| 73 | V | 97 | Very high | 94.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 116.8 | 175.8 | -178.2 | 0 | 0 | 0 | 0 | 108 | S2 L3 V4 V37 L66 R71 V75 | S2-V73 PolarHBondContact O-N 3.4Å; L3-V73 HydrophobicContact CD1-CB 3.83Å; L3-V73 HydrophobicContact CD1-CG1 3.87Å; V4-V73 PolarHBondContact N-O 3.32Å; V37-V73 HydrophobicContact CG2-CG1 3.76Å; L66-V73 HydrophobicContact CB-CG2 4.06Å; R71-V73 PolarHBondContact O-N 3.03Å; R71-V73 VanDerWaalsContact O-N 3.16Å; V73-V75 HydrophobicContact CG1-CG2 4.43Å |
| 74 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 121 | 175 | -52.6 | 178.2 | 0 | 0 | 0 | 108.1 | V4 L6 A18 L21 L25 V34 L35 L36 V37 I72 | V4-I74 HydrophobicContact CB-CG1 4.22Å; V4-I74 CarbonylContact O-C 3.57Å; V4-I74 WeakPolarHBondContact O-CA 3.34Å; L6-I74 HydrophobicContact CD1-CG2 4.11Å; L6-I74 HydrophobicContact CD2-CG2 4.31Å; L6-I74 HydrophobicContact CG-CG2 4.01Å; A18-I74 HydrophobicContact CB-CG2 4.16Å; L21-I74 HydrophobicContact CB-CD1 3.55Å; L21-I74 HydrophobicContact CD1-CD1 4.13Å; L25-I74 HydrophobicContact CD1-CD1 4.21Å; V34-I74 HydrophobicContact CG1-CD1 3.68Å; V34-I74 HydrophobicContact CG1-CG1 4.14Å; L35-I74 PolarHBondContact O-N 2.85Å; L36-I74 HydrophobicContact CD2-CB 3.68Å; L36-I74 HydrophobicContact CD2-CD1 3.88Å; L36-I74 HydrophobicContact CD2-CG1 4.17Å; L36-I74 HydrophobicContact CD2-CG2 4.21Å; V37-I74 PolarHBondContact N-O 3.28Å; I72-I74 HydrophobicContact CG2-CG1 4.04Å |
| 75 | V | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 104.6 | 179.7 | -170.3 | 0 | 0 | 0 | 0 | 108.6 | L3 V4 V5 L6 L59 V63 V73 S77 L88 | L3-V75 HydrophobicContact CD1-CG2 3.66Å; V4-V75 PolarHBondContact O-N 2.81Å; V5-V75 HydrophobicContact CG2-CG2 4.48Å; L6-V75 WeakPolarHBondContact CB-O 3.43Å; L6-V75 PolarHBondContact N-O 3.14Å; L59-V75 HydrophobicContact CD1-CG1 4.18Å; L59-V75 HydrophobicContact CD2-CG1 3.7Å; L59-V75 HydrophobicContact CG-CG1 3.99Å; V63-V75 HydrophobicContact CG2-CG1 4.27Å; V63-V75 HydrophobicContact CG2-CG2 3.55Å; V73-V75 HydrophobicContact CG1-CG2 4.43Å; V75-S77 PolarHBondContact O-N 3.14Å; V75-L88 HydrophobicContact CG1-CD1 4.45Å |
| 76 | D | 96.5 | Very high | 94.5 | Very high | 6 Ų | 6 | 32 Ų | 32 | 3% | 0.032 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 95.6 | 174.7 | -178.7 | 27.9 | 0 | 0 | 0 | 109.9 | L6 K14 T15 A18 V37 L38 D39 | L6-D76 HydrophobicContact CD1-CB 4.39Å; K14-D76 WeakPolarHBondContact CB-OD1 3.45Å; T15-D76 WeakPolarHBondContact CA-OD2 3.27Å; T15-D76 WeakPolarHBondContact CB-OD2 3.34Å; T15-D76 WeakPolarHBondContact CG2-OD2 3.2Å; T15-D76 PolarHBondContact N-OD1 2.85Å; T15-D76 PolarHBondContact OG1-OD2 3.46Å; A18-D76 HydrophobicContact CB-CB 4.04Å; V37-D76 PolarHBondContact O-N 2.65Å; L38-D76 HydrophobicContact CD2-CB 3.64Å; D39-D76 WeakPolarHBondContact CB-O 3.4Å; D39-D76 PolarHBondContact N-O 3.36Å |
| 77 | S | 94.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -150.7 | 165.9 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 107.9 | K14 D39 V75 N79 | K14-S77 WeakPolarHBondContact CD-O 3.29Å; K14-S77 VanDerWaalsContact CE-C 3.42Å; K14-S77 WeakPolarHBondContact CE-O 3.29Å; D39-S77 WeakPolarHBondContact OD2-CB 3.14Å; D39-S77 PolarHBondContact OD2-OG 3.37Å; V75-S77 PolarHBondContact O-N 3.14Å; S77-N79 PolarHBondContact O-N 3.09Å; S77-N79 PolarHBondContact O-ND2 3.38Å; S77-N79 PolarHBondContact OG-N 3.11Å |
| 78 | T | 94 | Very high | 94.7 | Very high | 16 Ų | 16 | 32.6 Ų | 32.6 | 10% | 0.098 | 17% | 0.166 | C | C | . | . | trans | -57.6 | -31.6 | 170.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | S7 G8 P10 Y80 | S7-T78 WeakPolarHBondContact CA-O 3.19Å; S7-T78 PolarHBondContact OG-O 3.22Å; G8-T78 PolarHBondContact N-O 3.32Å; G8-T78 WeakPolarHBondContact O-CA 3.31Å; P10-T78 HydrophobicContact CG-CG2 4.09Å; T78-Y80 PolarHBondContact O-N 3.01Å; T78-Y80 WeakPolarHBondContact OG1-CD1 3.47Å | ||
| 79 | N | 95 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | trans | 46.7 | 45.5 | -177.7 | -73.4 | -58.4 | 0 | 0 | 0 | 111.6 | V5 L6 S7 S77 L81 F84 R85 | V5-N79 HydrophobicContact CG1-CB 3.93Å; V5-N79 VanDerWaalsContact CG1-CG 3.47Å; V5-N79 VanDerWaalsContact CG1-ND2 3.32Å; V5-N79 WeakPolarHBondContact CG1-ND2 3.47Å; L6-N79 WeakPolarHBondContact O-CB 3.4Å; L6-N79 PolarHBondContact O-ND2 3.35Å; S7-N79 PolarHBondContact OG-O 2.62Å; S77-N79 PolarHBondContact O-N 3.09Å; S77-N79 PolarHBondContact O-ND2 3.38Å; S77-N79 PolarHBondContact OG-N 3.11Å; N79-L81 PolarHBondContact O-N 2.71Å; N79-F84 WeakPolarHBondContact OD1-CD1 3.43Å; N79-F84 VanDerWaalsContact OD1-CE1 3.23Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.47Å; N79-R85 HydrophobicContact CB-CG 4.21Å; N79-R85 PolarHBondContact O-NH1 3.33Å; N79-R85 VanDerWaalsContact O-NH1 3.13Å | ||
| 80 | Y | 93.3 | Very high | 95 | Very high | 22 Ų | 22 | 26.8 Ų | 26.8 | 9% | 0.086 | 13% | 0.134 | C | C | . | . | trans | -74.6 | -23.6 | -165.3 | 72.3 | -84.9 | 0 | 0 | 0 | 114.3 | E52 R56 T78 R136 E138 | E52-Y80 VanDerWaalsContact CD-OH 3.3Å; E52-Y80 PolarHBondContact OE2-OH 3.5Å; R56-Y80 PolarHBondContact NH1-OH 3.39Å; T78-Y80 PolarHBondContact O-N 3.01Å; T78-Y80 WeakPolarHBondContact OG1-CD1 3.47Å; Y80-R136 HydrophobicContact CD2-CB 4.07Å; Y80-R136 HydrophobicContact CE2-CB 4.18Å; Y80-E138 WeakPolarHBondContact O-CA 3.41Å; Y80-E138 VanDerWaalsContact O-CB 3.29Å; Y80-E138 WeakPolarHBondContact O-CB 3.48Å; Y80-E138 PolarHBondContact O-N 2.92Å | ||
| 81 | L | 94.5 | Very high | 95.2 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 18% | 0.178 | 12% | 0.116 | C | C | . | . | trans | -93.8 | 130.6 | 177.8 | -64.8 | 174.6 | 0 | 0 | 0 | 111.4 | N79 S83 F84 R85 | N79-L81 PolarHBondContact O-N 2.71Å; L81-S83 VanDerWaalsContact C-N 3.27Å; L81-S83 PolarHBondContact O-N 3.33Å; L81-F84 HydrophobicContact CB-CB 4.07Å; L81-F84 PolarHBondContact O-N 3.37Å; L81-R85 PolarHBondContact O-N 3.41Å | ||
| 82 | Q | 94.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 20.4 Ų | 20.4 | 21% | 0.21 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58 | -41.2 | 173.1 | 177.9 | -178.4 | -11.6 | 0 | 0 | 111.2 | F84 R85 Y86 E138 W146 | Q82-F84 VanDerWaalsContact C-N 3.3Å; Q82-F84 PolarHBondContact O-N 3.17Å; Q82-R85 PolarHBondContact O-N 3.39Å; Q82-Y86 PolarHBondContact O-N 2.82Å; Q82-E138 HydrophobicContact CB-CB 4.42Å; Q82-E138 WeakPolarHBondContact CB-OE2 3.32Å; Q82-E138 PolarHBondContact N-OE2 3.18Å; Q82-W146 HydrophobicContact CG-CH2 3.47Å; Q82-W146 VanDerWaalsContact CG-CH2 3.47Å; Q82-W146 HydrophobicContact CG-CZ2 4.27Å; Q82-W146 HydrophobicContact CG-CZ3 4.33Å |
| 83 | S | 94.5 | Very high | 95.1 | Very high | 69 Ų | 69 | 22.1 Ų | 22.1 | 48% | 0.483 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.3 | 55.5 | 0 | 0 | 0 | 0 | 112.2 | L81 Y86 E87 | L81-S83 VanDerWaalsContact C-N 3.27Å; L81-S83 PolarHBondContact O-N 3.33Å; S83-Y86 WeakPolarHBondContact O-CB 3.32Å; S83-Y86 PolarHBondContact O-N 2.92Å; S83-E87 WeakPolarHBondContact O-CG 3.34Å; S83-E87 PolarHBondContact O-N 3.26Å |
| 84 | F | 95.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 2% | 0.022 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.3 | -42 | 179.2 | -173.6 | -113.7 | 0 | 0 | 0 | 112.3 | R56 L59 K60 N79 L81 Q82 Y86 E87 L88 | R56-F84 HydrophobicContact CB-CD2 4.14Å; R56-F84 HydrophobicContact CB-CE2 3.81Å; R56-F84 HydrophobicContact CB-CZ 4.12Å; R56-F84 HydrophobicContact CG-CD2 4.4Å; R56-F84 HydrophobicContact CG-CE1 4.5Å; R56-F84 HydrophobicContact CG-CE2 4.36Å; R56-F84 HydrophobicContact CG-CG 4.48Å; R56-F84 HydrophobicContact CG-CZ 4.41Å; R56-F84 WeakPolarHBondContact O-CE2 3.28Å; L59-F84 HydrophobicContact CB-CZ 4.43Å; L59-F84 HydrophobicContact CD2-CE1 3.87Å; L59-F84 HydrophobicContact CD2-CZ 4Å; K60-F84 HydrophobicContact CB-CE2 4.02Å; K60-F84 HydrophobicContact CB-CZ 4.32Å; N79-F84 WeakPolarHBondContact OD1-CD1 3.43Å; N79-F84 VanDerWaalsContact OD1-CE1 3.23Å; N79-F84 WeakPolarHBondContact OD1-CE1 3.47Å; L81-F84 HydrophobicContact CB-CB 4.07Å; L81-F84 PolarHBondContact O-N 3.37Å; Q82-F84 VanDerWaalsContact C-N 3.3Å; Q82-F84 PolarHBondContact O-N 3.17Å; F84-Y86 PolarHBondContact O-N 3.48Å; F84-E87 WeakPolarHBondContact O-CB 3.14Å; F84-E87 PolarHBondContact O-N 3.21Å; F84-E87 VanDerWaalsContact O-N 3.15Å; F84-L88 HydrophobicContact CD1-CD1 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.96Å; F84-L88 HydrophobicContact CE1-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.43Å; F84-L88 HydrophobicContact CZ-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CG 4.46Å; F84-L88 PolarHBondContact O-N 2.88Å; F84-L88 VanDerWaalsContact O-N 3.1Å |
| 85 | R | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 172.2 | -63.9 | -166.1 | -56.9 | -88.9 | 4.3 | 111.7 | N79 L81 Q82 L88 C89 I101 E138 D147 | N79-R85 HydrophobicContact CB-CG 4.21Å; N79-R85 PolarHBondContact O-NH1 3.33Å; N79-R85 VanDerWaalsContact O-NH1 3.13Å; L81-R85 PolarHBondContact O-N 3.41Å; Q82-R85 PolarHBondContact O-N 3.39Å; R85-L88 PolarHBondContact O-N 2.99Å; R85-C89 PolarHBondContact O-N 3.43Å; R85-I101 HydrophobicContact CB-CD1 4.47Å; R85-E138 PolarHBondContact NH1-O 3.34Å; R85-E138 PolarHBondContact NH2-O 3.42Å; R85-E138 VanDerWaalsContact NH2-O 3.16Å; R85-D147 IonicContact CZ-OD1 2.7Å; R85-D147 IonicContact NE-OD1 3.51Å; R85-D147 PolarHBondContact NE-OD1 2.82Å; R85-D147 IonicContact NH2-OD1 3.18Å; R85-D147 PolarHBondContact NH2-OD1 2.94Å; R85-D147 IonicContact NH2-OD2 2.72Å; R85-D147 PolarHBondContact NH2-OD2 2.8Å |
| 86 | Y | 95.2 | Very high | 94.1 | Very high | 103 Ų | 103 | 33.5 Ų | 33.5 | 40% | 0.404 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 175 | -175.4 | -109.8 | 0 | 0 | 0 | 112.5 | Q82 S83 F84 L88 C89 C90 W146 | Q82-Y86 PolarHBondContact O-N 2.82Å; S83-Y86 WeakPolarHBondContact O-CB 3.32Å; S83-Y86 PolarHBondContact O-N 2.92Å; F84-Y86 PolarHBondContact O-N 3.48Å; Y86-L88 VanDerWaalsContact C-N 3.33Å; Y86-L88 PolarHBondContact O-N 3.31Å; Y86-C89 WeakPolarHBondContact O-CB 3.44Å; Y86-C89 PolarHBondContact O-N 3.38Å; Y86-C89 VanDerWaalsContact O-N 3.17Å; Y86-C90 PolarHBondContact O-N 3.18Å; Y86-C90 PolarHBondContact O-SG 3.41Å; Y86-C90 VanDerWaalsContact O-SG 3.4Å; Y86-W146 AromaticContact CD2-CD2 3.69Å; Y86-W146 HydrophobicContact CD2-CD2 3.69Å; Y86-W146 AromaticContact CD2-CE2 3.73Å; Y86-W146 AromaticContact CD2-CE3 3.86Å; Y86-W146 HydrophobicContact CD2-CE3 3.86Å; Y86-W146 HydrophobicContact CD2-CG 4.19Å; Y86-W146 HydrophobicContact CD2-CH2 4.05Å; Y86-W146 AromaticContact CD2-CZ2 3.92Å; Y86-W146 HydrophobicContact CD2-CZ2 3.92Å; Y86-W146 HydrophobicContact CD2-CZ3 4.06Å; Y86-W146 HydrophobicContact CE2-CD2 4.31Å; Y86-W146 HydrophobicContact CE2-CG 4.39Å; Y86-W146 HydrophobicContact CG-CH2 4.27Å; Y86-W146 HydrophobicContact CG-CZ2 4.42Å; Y86-W146 HydrophobicContact CG-CZ3 4.39Å |
| 87 | E | 95.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 33.2 Ų | 33.2 | 35% | 0.35 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59 | -42.8 | 174.3 | -71 | -179.5 | -148.3 | 0 | 0 | 112.3 | K60 S83 F84 C90 L91 | K60-E87 WeakPolarHBondContact CD-OE2 3.34Å; K60-E87 WeakPolarHBondContact CE-OE2 3.36Å; K60-E87 IonicContact NZ-OE2 3.27Å; K60-E87 PolarHBondContact NZ-OE2 3.35Å; S83-E87 WeakPolarHBondContact O-CG 3.34Å; S83-E87 PolarHBondContact O-N 3.26Å; F84-E87 WeakPolarHBondContact O-CB 3.14Å; F84-E87 PolarHBondContact O-N 3.21Å; F84-E87 VanDerWaalsContact O-N 3.15Å; E87-C90 WeakPolarHBondContact O-CB 3.26Å; E87-C90 PolarHBondContact O-N 2.93Å; E87-L91 PolarHBondContact O-N 3.46Å |
| 88 | L | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.2 | -37.9 | 174.8 | -64.1 | -177.9 | 0 | 0 | 0 | 112.1 | L3 V5 V63 V75 F84 R85 Y86 C90 L91 A92 F99 | L3-L88 HydrophobicContact CD2-CB 4.07Å; L3-L88 WeakPolarHBondContact CD2-O 3.39Å; V5-L88 HydrophobicContact CG1-CD1 4.02Å; V5-L88 HydrophobicContact CG2-CB 4.37Å; V5-L88 HydrophobicContact CG2-CD1 3.86Å; V63-L88 HydrophobicContact CB-CD2 4.44Å; V63-L88 HydrophobicContact CG1-CD2 4.28Å; V63-L88 HydrophobicContact CG2-CD2 4.41Å; V75-L88 HydrophobicContact CG1-CD1 4.45Å; F84-L88 HydrophobicContact CD1-CD1 4.38Å; F84-L88 HydrophobicContact CE1-CD1 3.96Å; F84-L88 HydrophobicContact CE1-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 4.43Å; F84-L88 HydrophobicContact CZ-CD2 4.39Å; F84-L88 HydrophobicContact CZ-CG 4.46Å; F84-L88 PolarHBondContact O-N 2.88Å; F84-L88 VanDerWaalsContact O-N 3.1Å; R85-L88 PolarHBondContact O-N 2.99Å; Y86-L88 VanDerWaalsContact C-N 3.33Å; Y86-L88 PolarHBondContact O-N 3.31Å; L88-C90 VanDerWaalsContact C-N 3.34Å; L88-C90 PolarHBondContact O-N 3.03Å; L88-L91 HydrophobicContact CD2-CD1 4.3Å; L88-L91 PolarHBondContact O-N 2.68Å; L88-A92 PolarHBondContact O-N 3.02Å; L88-F99 HydrophobicContact CB-CE2 4.03Å |
| 89 | C | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 173.5 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | R85 Y86 A92 K93 F99 | R85-C89 PolarHBondContact O-N 3.43Å; Y86-C89 WeakPolarHBondContact O-CB 3.44Å; Y86-C89 PolarHBondContact O-N 3.38Å; Y86-C89 VanDerWaalsContact O-N 3.17Å; C89-A92 WeakPolarHBondContact O-CB 3.47Å; C89-A92 PolarHBondContact O-N 3.35Å; C89-K93 WeakPolarHBondContact O-CG 3.31Å; C89-K93 PolarHBondContact O-N 3.02Å; C89-F99 HydrophobicContact CB-CD1 4.12Å; C89-F99 HydrophobicContact CB-CD2 4.35Å; C89-F99 HydrophobicContact CB-CE1 3.79Å; C89-F99 HydrophobicContact CB-CE2 4.05Å; C89-F99 HydrophobicContact CB-CG 4.38Å; C89-F99 HydrophobicContact CB-CZ 3.76Å |
| 90 | C | 93.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 22% | 0.216 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.4 | -71.1 | 0 | 0 | 0 | 0 | 112 | Y86 E87 L88 A92 K93 E94 | Y86-C90 PolarHBondContact O-N 3.18Å; Y86-C90 PolarHBondContact O-SG 3.41Å; Y86-C90 VanDerWaalsContact O-SG 3.4Å; E87-C90 WeakPolarHBondContact O-CB 3.26Å; E87-C90 PolarHBondContact O-N 2.93Å; L88-C90 VanDerWaalsContact C-N 3.34Å; L88-C90 PolarHBondContact O-N 3.03Å; C90-A92 VanDerWaalsContact C-N 3.31Å; C90-A92 PolarHBondContact O-N 3.27Å; C90-K93 WeakPolarHBondContact O-CB 3.4Å; C90-K93 PolarHBondContact O-N 2.87Å; C90-E94 PolarHBondContact O-N 3.41Å |
| 91 | L | 93.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 34.1 Ų | 34.1 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -41.9 | 173.2 | -73.2 | 173.5 | 0 | 0 | 0 | 111.7 | K60 Q64 E87 L88 K93 E94 C95 | K60-L91 HydrophobicContact CD-CD1 4.5Å; K60-L91 HydrophobicContact CG-CD1 3.8Å; Q64-L91 HydrophobicContact CB-CD1 4.47Å; Q64-L91 HydrophobicContact CG-CD2 4.18Å; E87-L91 PolarHBondContact O-N 3.46Å; L88-L91 HydrophobicContact CD2-CD1 4.3Å; L88-L91 PolarHBondContact O-N 2.68Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3Å; L91-E94 PolarHBondContact O-N 2.95Å; L91-C95 PolarHBondContact O-N 2.95Å; L91-C95 PolarHBondContact O-SG 3.27Å |
| 92 | A | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L3 I67 L88 C89 C90 K96 V97 F99 L173 | L3-A92 HydrophobicContact CB-CB 4.28Å; L3-A92 HydrophobicContact CD2-CB 4.16Å; I67-A92 HydrophobicContact CD1-CB 4.48Å; L88-A92 PolarHBondContact O-N 3.02Å; C89-A92 WeakPolarHBondContact O-CB 3.47Å; C89-A92 PolarHBondContact O-N 3.35Å; C90-A92 VanDerWaalsContact C-N 3.31Å; C90-A92 PolarHBondContact O-N 3.27Å; A92-K96 PolarHBondContact O-N 3.2Å; A92-K96 VanDerWaalsContact O-N 3.09Å; A92-V97 HydrophobicContact CB-CG2 3.76Å; A92-V97 WeakPolarHBondContact O-CG2 3.27Å; A92-V97 PolarHBondContact O-N 2.99Å; A92-F99 HydrophobicContact CB-CB 3.97Å; A92-F99 HydrophobicContact CB-CD2 3.85Å; A92-F99 HydrophobicContact CB-CG 4.3Å; A92-L173 HydrophobicContact CB-CD1 4.17Å |
| 93 | K | 92.2 | Very high | 94.3 | Very high | 39 Ų | 39 | 32.8 Ų | 32.8 | 17% | 0.17 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.8 | -43.6 | 174.5 | -71.3 | 175.5 | -176.7 | 172.2 | 0 | 112.5 | C89 C90 L91 C95 K96 L173 S175 T179 | C89-K93 WeakPolarHBondContact O-CG 3.31Å; C89-K93 PolarHBondContact O-N 3.02Å; C90-K93 WeakPolarHBondContact O-CB 3.4Å; C90-K93 PolarHBondContact O-N 2.87Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3Å; K93-C95 VanDerWaalsContact C-N 3.34Å; K93-K96 PolarHBondContact O-N 3.09Å; K93-L173 HydrophobicContact CG-CB 3.96Å; K93-L173 HydrophobicContact CG-CD1 3.54Å; K93-L173 HydrophobicContact CG-CG 4.41Å; K93-S175 VanDerWaalsContact O-CB 3.26Å; K93-S175 WeakPolarHBondContact O-CB 3.23Å; K93-S175 PolarHBondContact O-OG 3.2Å; K93-T179 HydrophobicContact CB-CG2 3.87Å; K93-T179 HydrophobicContact CD-CG2 4.14Å |
| 94 | E | 90.4 | Very high | 94.4 | Very high | 74 Ų | 74 | 29.7 Ų | 29.7 | 35% | 0.346 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 176.3 | 178.4 | 175 | -175.6 | 0 | 0 | 110.7 | C90 L91 K96 T179 | C90-E94 PolarHBondContact O-N 3.41Å; L91-E94 PolarHBondContact O-N 2.95Å; E94-K96 PolarHBondContact O-N 3.28Å; E94-T179 VanDerWaalsContact CA-O 3.32Å; E94-T179 WeakPolarHBondContact CA-O 3.39Å; E94-T179 VanDerWaalsContact CB-O 3.28Å; E94-T179 WeakPolarHBondContact CB-O 3.44Å; E94-T179 WeakPolarHBondContact CG-O 3.43Å |
| 95 | C | 90.5 | Very high | 94.1 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 22% | 0.223 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | 2.8 | -179.7 | -59.8 | 0 | 0 | 0 | 0 | 114.3 | I67 L91 K93 V97 | I67-C95 HydrophobicContact CD1-CB 4.25Å; I67-C95 HydrophobicContact CG1-CB 4.1Å; I67-C95 HydrophobicContact CG2-CB 4.4Å; I67-C95 VanDerWaalsContact CG2-SG 3.59Å; L91-C95 PolarHBondContact O-N 2.95Å; L91-C95 PolarHBondContact O-SG 3.27Å; K93-C95 VanDerWaalsContact C-N 3.34Å; C95-V97 VanDerWaalsContact C-N 3.26Å; C95-V97 HydrophobicContact CB-CG1 4.41Å; C95-V97 HydrophobicContact CB-CG2 4.31Å; C95-V97 PolarHBondContact O-N 3.43Å |
| 96 | K | 90.7 | Very high | 93.7 | Very high | 134 Ų | 134 | 32.4 Ų | 32.4 | 58% | 0.583 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 44.8 | -178.8 | -56.1 | 174.6 | -174.2 | 173 | 0 | 112.1 | A92 K93 E94 P172 | A92-K96 PolarHBondContact O-N 3.2Å; A92-K96 VanDerWaalsContact O-N 3.09Å; K93-K96 PolarHBondContact O-N 3.09Å; E94-K96 PolarHBondContact O-N 3.28Å; K96-P172 WeakPolarHBondContact O-CB 3.38Å |
| 97 | V | 92.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -107.3 | 162 | 174.7 | -67.9 | 0 | 0 | 0 | 0 | 110.6 | M1 L3 I67 Q68 A92 C95 L173 | M1-V97 HydrophobicContact CE-CG1 4.14Å; M1-V97 CarbonylContact O-C 3.55Å; M1-V97 VanDerWaalsContact O-CA 3.27Å; M1-V97 WeakPolarHBondContact O-CA 3.5Å; M1-V97 WeakPolarHBondContact O-CB 3.47Å; M1-V97 WeakPolarHBondContact O-CG1 3.29Å; L3-V97 HydrophobicContact CB-CG2 4.4Å; I67-V97 HydrophobicContact CD1-CG2 3.61Å; I67-V97 HydrophobicContact CG1-CG1 4.41Å; I67-V97 HydrophobicContact CG1-CG2 3.74Å; Q68-V97 VanDerWaalsContact O-CG1 3.29Å; Q68-V97 WeakPolarHBondContact O-CG1 3.29Å; A92-V97 HydrophobicContact CB-CG2 3.76Å; A92-V97 WeakPolarHBondContact O-CG2 3.27Å; A92-V97 PolarHBondContact O-N 2.99Å; C95-V97 VanDerWaalsContact C-N 3.26Å; C95-V97 HydrophobicContact CB-CG1 4.41Å; C95-V97 HydrophobicContact CB-CG2 4.31Å; C95-V97 PolarHBondContact O-N 3.43Å; V97-L173 WeakPolarHBondContact O-CB 3.35Å; V97-L173 WeakPolarHBondContact O-CG 3.42Å; V97-L173 PolarHBondContact O-N 2.83Å | ||
| 98 | G | 93.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 160.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1 S2 L3 K171 | M1-G98 PolarHBondContact O-N 2.9Å; S2-G98 CarbonylContact C-O 3.58Å; S2-G98 WeakPolarHBondContact CA-O 3.49Å; S2-G98 PolarHBondContact OG-O 3.03Å; L3-G98 PolarHBondContact N-O 3.21Å; G98-K171 WeakPolarHBondContact CA-O 3.43Å |
| 99 | F | 95.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 125.7 | 175.7 | -177 | -102.6 | 0 | 0 | 0 | 109.1 | L3 V5 L88 C89 A92 I101 W146 L173 | L3-F99 HydrophobicContact CB-CD2 4.32Å; L3-F99 HydrophobicContact CD2-CD2 3.99Å; L3-F99 HydrophobicContact CD2-CE2 4.07Å; L3-F99 HydrophobicContact CG-CD2 4.32Å; L3-F99 WeakPolarHBondContact O-CA 3.11Å; V5-F99 HydrophobicContact CG2-CD2 4.37Å; V5-F99 HydrophobicContact CG2-CE2 3.54Å; V5-F99 HydrophobicContact CG2-CZ 4.01Å; L88-F99 HydrophobicContact CB-CE2 4.03Å; C89-F99 HydrophobicContact CB-CD1 4.12Å; C89-F99 HydrophobicContact CB-CD2 4.35Å; C89-F99 HydrophobicContact CB-CE1 3.79Å; C89-F99 HydrophobicContact CB-CE2 4.05Å; C89-F99 HydrophobicContact CB-CG 4.38Å; C89-F99 HydrophobicContact CB-CZ 3.76Å; A92-F99 HydrophobicContact CB-CB 3.97Å; A92-F99 HydrophobicContact CB-CD2 3.85Å; A92-F99 HydrophobicContact CB-CG 4.3Å; F99-I101 HydrophobicContact CE1-CD1 3.75Å; F99-I101 HydrophobicContact CE1-CG1 3.61Å; F99-I101 HydrophobicContact CZ-CD1 4.14Å; F99-I101 HydrophobicContact CZ-CG1 3.82Å; F99-W146 WeakPolarHBondContact CE1-O 3.35Å; F99-L173 HydrophobicContact CB-CD1 3.65Å; F99-L173 HydrophobicContact CB-CG 4.25Å |
| 100 | L | 95.7 | Very high | 93.2 | Very high | 27 Ų | 27 | 38.4 Ų | 38.4 | 14% | 0.141 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 124.7 | 177.4 | -179.8 | 65.2 | 0 | 0 | 0 | 109.6 | L3 V4 V5 V102 F150 L163 R166 I167 | L3-L100 PolarHBondContact O-N 2.91Å; V4-L100 CarbonylContact C-O 3.51Å; V4-L100 WeakPolarHBondContact CA-O 3.49Å; V5-L100 PolarHBondContact N-O 3.15Å; L100-V102 HydrophobicContact CD2-CG2 4.13Å; L100-V102 HydrophobicContact CG-CG2 4.15Å; L100-F150 HydrophobicContact CD1-CB 4.33Å; L100-L163 HydrophobicContact CD2-CD1 3.79Å; L100-R166 HydrophobicContact CD2-CB 4.46Å; L100-I167 HydrophobicContact CD2-CG1 3.7Å |
| 101 | I | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 134.8 | 167.5 | -62.1 | 163.3 | 0 | 0 | 0 | 108 | V5 R85 F99 P140 D147 H149 F150 | V5-I101 HydrophobicContact CB-CG1 4.37Å; V5-I101 CarbonylContact O-C 3.58Å; V5-I101 WeakPolarHBondContact O-CA 3.36Å; R85-I101 HydrophobicContact CB-CD1 4.47Å; F99-I101 HydrophobicContact CE1-CD1 3.75Å; F99-I101 HydrophobicContact CE1-CG1 3.61Å; F99-I101 HydrophobicContact CZ-CD1 4.14Å; F99-I101 HydrophobicContact CZ-CG1 3.82Å; I101-P140 HydrophobicContact CG2-CB 4.34Å; I101-P140 HydrophobicContact CG2-CG 3.86Å; I101-D147 VanDerWaalsContact CD1-OD1 3.3Å; I101-D147 WeakPolarHBondContact CD1-OD1 3.32Å; I101-H149 HydrophobicContact CB-CB 3.86Å; I101-H149 HydrophobicContact CG2-CB 3.79Å; I101-H149 CarbonylContact O-C 3.56Å; I101-H149 VanDerWaalsContact O-CA 3.23Å; I101-H149 WeakPolarHBondContact O-CA 3.42Å; I101-F150 PolarHBondContact O-N 3.05Å |
| 102 | V | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 105.3 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | V4 V5 L6 S7 L17 L100 F150 L163 | V4-V102 HydrophobicContact CG1-CG2 3.69Å; V5-V102 PolarHBondContact O-N 3.26Å; L6-V102 CarbonylContact C-O 3.54Å; L6-V102 WeakPolarHBondContact CA-O 2.95Å; L6-V102 HydrophobicContact CD2-CB 3.73Å; L6-V102 HydrophobicContact CD2-CG1 4.16Å; L6-V102 HydrophobicContact CD2-CG2 4.17Å; S7-V102 PolarHBondContact N-O 3.2Å; L17-V102 HydrophobicContact CD2-CG1 3.86Å; L100-V102 HydrophobicContact CD2-CG2 4.13Å; L100-V102 HydrophobicContact CG-CG2 4.15Å; V102-F150 CarbonylContact C-O 3.17Å; V102-F150 WeakPolarHBondContact CA-O 3.42Å; V102-F150 HydrophobicContact CG1-CD1 4.32Å; V102-L163 HydrophobicContact CG1-CD1 4.23Å; V102-L163 HydrophobicContact CG1-CD2 3.77Å; V102-L163 HydrophobicContact CG2-CD1 3.59Å; V102-L163 HydrophobicContact CG2-CD2 4.33Å |
| 103 | R | 96.5 | Very high | 93.1 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 19% | 0.192 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116.1 | 175.9 | -178.4 | -176.2 | 165.8 | 167.9 | 3.9 | 108.8 | S7 A105 E139 F150 L151 Y152 | S7-R103 CarbonylContact O-C 3.54Å; S7-R103 VanDerWaalsContact O-CA 3.3Å; S7-R103 WeakPolarHBondContact O-CA 3.37Å; R103-A105 PolarHBondContact O-N 3.34Å; R103-E139 VanDerWaalsContact CZ-CD 3.46Å; R103-E139 IonicContact CZ-OE1 3.97Å; R103-E139 IonicContact CZ-OE2 3.66Å; R103-E139 IonicContact NH1-OE1 3.37Å; R103-E139 IonicContact NH1-OE2 2.71Å; R103-E139 PolarHBondContact NH1-OE2 3.48Å; R103-E139 IonicContact NH2-OE1 2.71Å; R103-E139 PolarHBondContact NH2-OE1 2.79Å; R103-E139 IonicContact NH2-OE2 3.51Å; R103-E139 PolarHBondContact NH2-OE2 2.95Å; R103-F150 PolarHBondContact N-O 3.44Å; R103-L151 HydrophobicContact CB-CD1 4.34Å; R103-L151 HydrophobicContact CG-CD1 4.14Å; R103-Y152 PolarHBondContact O-N 2.91Å |
| 104 | C | 95.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.3 | 171.9 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | S7 K14 A106 | S7-C104 PolarHBondContact O-N 2.87Å; K14-C104 HydrophobicContact CG-CB 4.23Å; C104-A106 PolarHBondContact O-N 3.47Å |
| 105 | A | 89.2 | Confident | 93.2 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 31% | 0.314 | 22% | 0.215 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 127.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110 | R103 L151 Y152 | R103-A105 PolarHBondContact O-N 3.34Å; A105-L151 HydrophobicContact CB-CD1 3.89Å; A105-L151 HydrophobicContact CB-CG 4.37Å; A105-Y152 WeakPolarHBondContact CB-O 3.23Å; A105-Y152 PolarHBondContact N-O 2.98Å |
| 106 | A | 88.8 | Confident | 93.2 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 20% | 0.198 | 23% | 0.232 | C | C | . | . | trans | -155.4 | 132.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y9 C104 I111 | Y9-A106 HydrophobicContact CD2-CB 4.43Å; Y9-A106 WeakPolarHBondContact CE2-O 3.37Å; C104-A106 PolarHBondContact O-N 3.47Å; A106-I111 HydrophobicContact CB-CD1 3.63Å; A106-I111 HydrophobicContact CB-CG1 3.95Å | ||
| 107 | N | 92 | Very high | 92.8 | Very high | 90 Ų | 90 | 47.8 Ų | 47.8 | 48% | 0.481 | 23% | 0.234 | S | C | . | . | trans | -77.5 | 156.2 | 169.2 | 72.8 | 32.9 | 0 | 0 | 0 | 109.4 | D109 T110 I111 | N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 2.99Å; N107-D109 PolarHBondContact OD1-N 3.26Å; N107-T110 PolarHBondContact ND2-OG1 3.13Å; N107-T110 WeakPolarHBondContact OD1-CA 3.49Å; N107-T110 WeakPolarHBondContact OD1-CB 3.48Å; N107-T110 PolarHBondContact OD1-N 3.05Å; N107-T110 PolarHBondContact OD1-OG1 3.33Å; N107-I111 WeakPolarHBondContact O-CG1 3.48Å; N107-I111 PolarHBondContact O-N 3.38Å | ||
| 108 | T | 93.2 | Very high | 91.9 | Very high | 51 Ų | 51 | 49.1 Ų | 49.1 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.4 | -34.7 | -177.5 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | I111 F112 I134 | T108-I111 WeakPolarHBondContact O-CB 3.36Å; T108-I111 PolarHBondContact O-N 3.4Å; T108-F112 HydrophobicContact CG2-CD2 3.63Å; T108-F112 HydrophobicContact CG2-CE2 3.33Å; T108-F112 HydrophobicContact CG2-CZ 4.49Å; T108-F112 WeakPolarHBondContact O-CD2 3.5Å; T108-F112 PolarHBondContact O-N 2.82Å; T108-I134 HydrophobicContact CG2-CD1 4.23Å |
| 109 | D | 93.2 | Very high | 90.8 | Very high | 126 Ų | 126 | 56 Ų | 56 | 67% | 0.674 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | -178.3 | -64.6 | -33.1 | 0 | 0 | 0 | 112.3 | N107 I111 F112 E113 | N107-D109 VanDerWaalsContact C-N 3.33Å; N107-D109 PolarHBondContact O-N 2.99Å; N107-D109 PolarHBondContact OD1-N 3.26Å; D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 PolarHBondContact O-N 3.06Å; D109-F112 PolarHBondContact O-N 3.34Å; D109-E113 WeakPolarHBondContact O-CB 3.39Å; D109-E113 PolarHBondContact O-N 2.94Å |
| 110 | T | 92 | Very high | 89.5 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 23% | 0.233 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | 174 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | N107 R114 | N107-T110 PolarHBondContact ND2-OG1 3.13Å; N107-T110 WeakPolarHBondContact OD1-CA 3.49Å; N107-T110 WeakPolarHBondContact OD1-CB 3.48Å; N107-T110 PolarHBondContact OD1-N 3.05Å; N107-T110 PolarHBondContact OD1-OG1 3.33Å; T110-R114 HydrophobicContact CG2-CG 4.37Å; T110-R114 WeakPolarHBondContact O-CB 3.42Å; T110-R114 WeakPolarHBondContact O-CG 3.39Å; T110-R114 PolarHBondContact O-N 3.19Å |
| 111 | I | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 173.1 | -67 | -53.6 | 0 | 0 | 0 | 110.9 | Y9 P10 L11 A106 N107 T108 D109 R114 N115 L130 I134 | Y9-I111 HydrophobicContact CD2-CG1 4.14Å; P10-I111 WeakPolarHBondContact O-CD1 3.36Å; P10-I111 WeakPolarHBondContact O-CG2 3.26Å; L11-I111 VanDerWaalsContact C-CD1 3.4Å; L11-I111 HydrophobicContact CB-CD1 4.12Å; L11-I111 HydrophobicContact CB-CG2 4.45Å; L11-I111 WeakPolarHBondContact O-CD1 3.33Å; A106-I111 HydrophobicContact CB-CD1 3.63Å; A106-I111 HydrophobicContact CB-CG1 3.95Å; N107-I111 WeakPolarHBondContact O-CG1 3.48Å; N107-I111 PolarHBondContact O-N 3.38Å; T108-I111 WeakPolarHBondContact O-CB 3.36Å; T108-I111 PolarHBondContact O-N 3.4Å; D109-I111 VanDerWaalsContact C-N 3.3Å; D109-I111 PolarHBondContact O-N 3.06Å; I111-R114 PolarHBondContact O-N 3.44Å; I111-N115 WeakPolarHBondContact O-CB 3.42Å; I111-N115 PolarHBondContact O-N 3.29Å; I111-L130 HydrophobicContact CG2-CD1 4Å; I111-L130 HydrophobicContact CG2-CD2 3.98Å; I111-L130 HydrophobicContact CG2-CG 4.29Å; I111-I134 HydrophobicContact CG2-CD1 4Å |
| 112 | F | 93.7 | Very high | 87.3 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -68.7 | -34.1 | 177.6 | -76.5 | -64.1 | 0 | 0 | 0 | 112.8 | T108 D109 N115 R116 E127 L130 R131 I134 | T108-F112 HydrophobicContact CG2-CD2 3.63Å; T108-F112 HydrophobicContact CG2-CE2 3.33Å; T108-F112 HydrophobicContact CG2-CZ 4.49Å; T108-F112 WeakPolarHBondContact O-CD2 3.5Å; T108-F112 PolarHBondContact O-N 2.82Å; D109-F112 PolarHBondContact O-N 3.34Å; F112-N115 WeakPolarHBondContact O-CB 3.44Å; F112-N115 PolarHBondContact O-N 3.29Å; F112-R116 WeakPolarHBondContact O-CG 3.29Å; F112-R116 PolarHBondContact O-N 3.35Å; F112-E127 HydrophobicContact CD1-CG 3.73Å; F112-E127 HydrophobicContact CE1-CG 3.49Å; F112-E127 VanDerWaalsContact CE1-CG 3.49Å; F112-L130 HydrophobicContact CD1-CD2 3.98Å; F112-L130 HydrophobicContact CE1-CD2 3.98Å; F112-L130 HydrophobicContact CE1-CG 4.15Å; F112-R131 HydrophobicContact CZ-CB 4.05Å; F112-R131 HydrophobicContact CZ-CG 4.44Å; F112-I134 HydrophobicContact CE2-CD1 4.32Å; F112-I134 HydrophobicContact CZ-CD1 4.26Å |
| 113 | E | 92 | Very high | 86.5 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -51.4 | 171.9 | -174.3 | 177.4 | -164.7 | 0 | 0 | 111.1 | D109 N115 R116 H117 | D109-E113 WeakPolarHBondContact O-CB 3.39Å; D109-E113 PolarHBondContact O-N 2.94Å; E113-N115 PolarHBondContact O-N 3.46Å; E113-R116 WeakPolarHBondContact O-CB 3.25Å; E113-R116 PolarHBondContact O-N 2.95Å; E113-H117 PolarHBondContact O-CD2 2.9Å; E113-H117 PolarHBondContact O-N 3.49Å |
| 114 | R | 91.2 | Very high | 86 | Confident | 103 Ų | 103 | 71.7 Ų | 71.7 | 39% | 0.389 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.3 | -38.1 | 174.1 | -74.1 | 172.2 | -176.1 | 170.4 | 6.4 | 111.8 | L11 T110 I111 R116 H117 I124 | L11-R114 HydrophobicContact CD1-CB 4.39Å; L11-R114 PolarHBondContact O-NH1 2.8Å; T110-R114 HydrophobicContact CG2-CG 4.37Å; T110-R114 WeakPolarHBondContact O-CB 3.42Å; T110-R114 WeakPolarHBondContact O-CG 3.39Å; T110-R114 PolarHBondContact O-N 3.19Å; I111-R114 PolarHBondContact O-N 3.44Å; R114-R116 VanDerWaalsContact C-N 3.26Å; R114-R116 PolarHBondContact O-N 3.38Å; R114-H117 PolarHBondContact O-N 3Å; R114-I124 WeakPolarHBondContact O-CD1 3.32Å |
| 115 | N | 92.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.1 | -32.3 | 178.9 | -165.8 | 45 | 0 | 0 | 0 | 112.7 | L11 I111 F112 E113 F123 I124 F125 L130 | L11-N115 HydrophobicContact CD1-CB 3.71Å; I111-N115 WeakPolarHBondContact O-CB 3.42Å; I111-N115 PolarHBondContact O-N 3.29Å; F112-N115 WeakPolarHBondContact O-CB 3.44Å; F112-N115 PolarHBondContact O-N 3.29Å; E113-N115 PolarHBondContact O-N 3.46Å; N115-F123 CarbonylContact O-C 3.31Å; N115-F123 WeakPolarHBondContact O-CA 3.34Å; N115-I124 PolarHBondContact O-N 2.99Å; N115-I124 PolarHBondContact OD1-N 3.41Å; N115-F125 PolarHBondContact ND2-O 3.31Å; N115-F125 PolarHBondContact OD1-N 3.4Å; N115-F125 PolarHBondContact OD1-O 3.02Å; N115-L130 HydrophobicContact CB-CD2 3.66Å; N115-L130 VanDerWaalsContact CG-CD2 3.5Å |
| 116 | R | 90.7 | Very high | 85.9 | Confident | 154 Ų | 154 | 73.3 Ų | 73.3 | 58% | 0.581 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -75 | -24.3 | 178.5 | -71.6 | 168.3 | -178.2 | -179.7 | 2.6 | 113.4 | F112 E113 R114 S118 F123 | F112-R116 WeakPolarHBondContact O-CG 3.29Å; F112-R116 PolarHBondContact O-N 3.35Å; E113-R116 WeakPolarHBondContact O-CB 3.25Å; E113-R116 PolarHBondContact O-N 2.95Å; R114-R116 VanDerWaalsContact C-N 3.26Å; R114-R116 PolarHBondContact O-N 3.38Å; R116-S118 VanDerWaalsContact C-N 3.35Å; R116-S118 PolarHBondContact O-N 3.43Å; R116-F123 HydrophobicContact CB-CE1 4.42Å; R116-F123 HydrophobicContact CG-CD1 3.98Å; R116-F123 HydrophobicContact CG-CE1 3.45Å; R116-F123 VanDerWaalsContact CG-CE1 3.45Å; R116-F123 HydrophobicContact CG-CZ 4.34Å |
| 117 | H | 82.4 | Confident | 86 | Confident | 138 Ų | 138 | 75.1 Ų | 75.1 | 64% | 0.639 | 40% | 0.402 | S | S | * | . | trans | -93.1 | 41.9 | -174.2 | -71.1 | -64.3 | 0 | 0 | 0 | 113.8 | E113 R114 T119 | E113-H117 PolarHBondContact O-CD2 2.9Å; E113-H117 PolarHBondContact O-N 3.49Å; R114-H117 PolarHBondContact O-N 3Å; H117-T119 PolarHBondContact O-N 3.32Å | ||
| 118 | S | 74.1 | Confident | 86 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 20% | 0.196 | 41% | 0.408 | C | S | . | . | trans | -61.5 | 139.2 | 173.2 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | R116 N120 G121 G122 | R116-S118 VanDerWaalsContact C-N 3.35Å; R116-S118 PolarHBondContact O-N 3.43Å; S118-N120 PolarHBondContact O-N 2.95Å; S118-G121 PolarHBondContact O-N 3.22Å; S118-G122 WeakPolarHBondContact CB-O 3.22Å; S118-G122 PolarHBondContact N-O 3.34Å | ||
| 119 | T | 70 | Confident | 86 | Confident | 144 Ų | 144 | 72.1 Ų | 72.1 | 88% | 0.883 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -21.8 | 173.5 | 21.8 | 0 | 0 | 0 | 0 | 113.3 | H117 | H117-T119 PolarHBondContact O-N 3.32Š|
| 120 | N | 69.6 | Low | 86 | Confident | 147 Ų | 147 | 66.1 Ų | 66.1 | 79% | 0.786 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101 | 15.3 | -178.2 | -63.9 | -18.2 | 0 | 0 | 0 | 114.2 | S118 | S118-N120 PolarHBondContact O-N 2.95Š|
| 121 | G | 67.7 | Low | 86.1 | Confident | 79 Ų | 79 | 69.4 Ų | 69.4 | 81% | 0.814 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 73.7 | 27.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | S118 | S118-G121 PolarHBondContact O-N 3.22Š|
| 122 | G | 76.9 | Confident | 86.1 | Confident | 33 Ų | 33 | 70 Ų | 70 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -143.5 | -166.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S118 | S118-G122 WeakPolarHBondContact CB-O 3.22Å; S118-G122 PolarHBondContact N-O 3.34Å |
| 123 | F | 81.3 | Confident | 86.1 | Confident | 112 Ų | 112 | 69.7 Ų | 69.7 | 49% | 0.491 | 38% | 0.378 | S | S | . | . | trans | -81.5 | 144.8 | 172.1 | -63 | -86.1 | 0 | 0 | 0 | 111.5 | N115 R116 F125 | N115-F123 CarbonylContact O-C 3.31Å; N115-F123 WeakPolarHBondContact O-CA 3.34Å; R116-F123 HydrophobicContact CB-CE1 4.42Å; R116-F123 HydrophobicContact CG-CD1 3.98Å; R116-F123 HydrophobicContact CG-CE1 3.45Å; R116-F123 VanDerWaalsContact CG-CE1 3.45Å; R116-F123 HydrophobicContact CG-CZ 4.34Å; F123-F125 VanDerWaalsContact CB-O 3.29Å; F123-F125 WeakPolarHBondContact CB-O 3Å | ||
| 124 | I | 86.9 | Confident | 86.2 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 35% | 0.354 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -68.9 | -49.8 | 173.1 | -57.6 | 172.7 | 0 | 0 | 0 | 109.8 | L11 R114 N115 | L11-I124 HydrophobicContact CD1-CD1 4.17Å; L11-I124 HydrophobicContact CD2-CD1 3.82Å; L11-I124 HydrophobicContact CD2-CG2 4.13Å; R114-I124 WeakPolarHBondContact O-CD1 3.32Å; N115-I124 PolarHBondContact O-N 2.99Å; N115-I124 PolarHBondContact OD1-N 3.41Å |
| 125 | F | 90.2 | Very high | 86.3 | Confident | 20 Ų | 20 | 67.8 Ų | 67.8 | 9% | 0.088 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -117.5 | 149.9 | 174.2 | -61.4 | -69.9 | 0 | 0 | 0 | 110.7 | P10 L11 D41 N43 M46 N115 F123 E127 L130 | P10-F125 HydrophobicContact CB-CD2 4.49Å; P10-F125 HydrophobicContact CB-CE2 4.2Å; L11-F125 HydrophobicContact CD1-CD2 4.04Å; L11-F125 HydrophobicContact CD1-CE2 4.36Å; L11-F125 HydrophobicContact CD2-CD2 4.14Å; L11-F125 HydrophobicContact CD2-CE2 3.64Å; L11-F125 HydrophobicContact CG-CD2 3.97Å; L11-F125 HydrophobicContact CG-CE2 3.81Å; D41-F125 HydrophobicContact CB-CZ 4.24Å; N43-F125 WeakPolarHBondContact OD1-CA 3.33Å; N43-F125 WeakPolarHBondContact OD1-CB 2.64Å; N43-F125 WeakPolarHBondContact OD1-CD1 3.26Å; M46-F125 HydrophobicContact CE-CD1 3.74Å; M46-F125 HydrophobicContact CE-CD2 4.37Å; M46-F125 HydrophobicContact CE-CE1 3.46Å; M46-F125 VanDerWaalsContact CE-CE1 3.46Å; M46-F125 HydrophobicContact CE-CE2 4.11Å; M46-F125 HydrophobicContact CE-CG 4.2Å; M46-F125 HydrophobicContact CE-CZ 3.67Å; M46-F125 HydrophobicContact SD-CD1 4.06Å; M46-F125 HydrophobicContact SD-CE1 4.37Å; M46-F125 HydrophobicContact SD-CG 4.36Å; N115-F125 PolarHBondContact ND2-O 3.31Å; N115-F125 PolarHBondContact OD1-N 3.4Å; N115-F125 PolarHBondContact OD1-O 3.02Å; F123-F125 VanDerWaalsContact CB-O 3.29Å; F123-F125 WeakPolarHBondContact CB-O 3Å; F125-E127 PolarHBondContact O-N 3.5Å; F125-L130 HydrophobicContact CB-CB 4.27Å |
| 126 | D | 91.4 | Very high | 86.4 | Confident | 57 Ų | 57 | 72 Ų | 72 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | trans | -55.5 | 125.9 | 166 | 174 | 106.8 | 0 | 0 | 0 | 109.3 | N43 K47 A128 A129 L130 | N43-D126 PolarHBondContact OD1-N 3.24Å; K47-D126 WeakPolarHBondContact CE-OD2 3.33Å; K47-D126 IonicContact NZ-OD1 2.86Å; K47-D126 PolarHBondContact NZ-OD1 2.92Å; K47-D126 IonicContact NZ-OD2 3.18Å; K47-D126 PolarHBondContact NZ-OD2 3.34Å; D126-A128 PolarHBondContact O-N 3.31Å; D126-A128 WeakPolarHBondContact OD2-CB 3.27Å; D126-A128 PolarHBondContact OD2-N 3.43Å; D126-A129 HydrophobicContact CB-CB 4.02Å; D126-A129 WeakPolarHBondContact O-CB 3.33Å; D126-A129 PolarHBondContact O-N 3.06Å; D126-A129 VanDerWaalsContact O-N 3.09Å; D126-A129 PolarHBondContact OD2-N 3.38Å; D126-L130 PolarHBondContact O-N 3.43Å | ||
| 127 | E | 91.4 | Very high | 86.5 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 29% | 0.294 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -34.1 | -170.5 | -163.7 | -178.6 | 126.7 | 0 | 0 | 112.3 | F112 F125 L130 R131 | F112-E127 HydrophobicContact CD1-CG 3.73Å; F112-E127 HydrophobicContact CE1-CG 3.49Å; F112-E127 VanDerWaalsContact CE1-CG 3.49Å; F125-E127 PolarHBondContact O-N 3.5Å; E127-L130 PolarHBondContact O-N 2.94Å; E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.25Å; E127-R131 PolarHBondContact O-N 2.88Å; E127-R131 IonicContact OE1-NH2 2.89Å; E127-R131 PolarHBondContact OE1-NH2 3.03Å |
| 128 | A | 92.2 | Very high | 87.1 | Confident | 72 Ų | 72 | 63 Ų | 63 | 60% | 0.595 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.1 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D126 R131 G132 | D126-A128 PolarHBondContact O-N 3.31Å; D126-A128 WeakPolarHBondContact OD2-CB 3.27Å; D126-A128 PolarHBondContact OD2-N 3.43Å; A128-R131 PolarHBondContact O-N 2.94Å; A128-G132 PolarHBondContact O-N 3.42Å |
| 129 | A | 92.2 | Very high | 88 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 5% | 0.05 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -45 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | M46 K47 D126 G132 A133 | M46-A129 HydrophobicContact CB-CB 4.13Å; K47-A129 HydrophobicContact CD-CB 4.31Å; K47-A129 HydrophobicContact CG-CB 3.73Å; D126-A129 HydrophobicContact CB-CB 4.02Å; D126-A129 WeakPolarHBondContact O-CB 3.33Å; D126-A129 PolarHBondContact O-N 3.06Å; D126-A129 VanDerWaalsContact O-N 3.09Å; D126-A129 PolarHBondContact OD2-N 3.38Å; A129-G132 PolarHBondContact O-N 3.38Å; A129-A133 WeakPolarHBondContact O-CB 3.37Å; A129-A133 PolarHBondContact O-N 3.06Å |
| 130 | L | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.9 | -47.2 | 178.1 | 178.9 | 57.8 | 0 | 0 | 0 | 111.5 | P10 L11 I111 F112 N115 F125 D126 E127 G132 A133 I134 | P10-L130 HydrophobicContact CB-CD1 3.61Å; P10-L130 HydrophobicContact CG-CD1 3.82Å; L11-L130 HydrophobicContact CD1-CD2 4.49Å; I111-L130 HydrophobicContact CG2-CD1 4Å; I111-L130 HydrophobicContact CG2-CD2 3.98Å; I111-L130 HydrophobicContact CG2-CG 4.29Å; F112-L130 HydrophobicContact CD1-CD2 3.98Å; F112-L130 HydrophobicContact CE1-CD2 3.98Å; F112-L130 HydrophobicContact CE1-CG 4.15Å; N115-L130 HydrophobicContact CB-CD2 3.66Å; N115-L130 VanDerWaalsContact CG-CD2 3.5Å; F125-L130 HydrophobicContact CB-CB 4.27Å; D126-L130 PolarHBondContact O-N 3.43Å; E127-L130 PolarHBondContact O-N 2.94Å; L130-G132 PolarHBondContact O-N 2.7Å; L130-A133 PolarHBondContact O-N 3.03Å; L130-I134 HydrophobicContact CD1-CD1 4.3Å; L130-I134 HydrophobicContact CG-CD1 4.24Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 3.17Å |
| 131 | R | 94.4 | Very high | 90 | Very high | 107 Ų | 107 | 56 Ų | 56 | 40% | 0.404 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.4 | -48.1 | 175.8 | -173.8 | 176.9 | -58.5 | -76.5 | -4.9 | 111.4 | F112 E127 A128 A133 I134 E135 | F112-R131 HydrophobicContact CZ-CB 4.05Å; F112-R131 HydrophobicContact CZ-CG 4.44Å; E127-R131 VanDerWaalsContact O-CB 3.31Å; E127-R131 WeakPolarHBondContact O-CB 3.25Å; E127-R131 PolarHBondContact O-N 2.88Å; E127-R131 IonicContact OE1-NH2 2.89Å; E127-R131 PolarHBondContact OE1-NH2 3.03Å; A128-R131 PolarHBondContact O-N 2.94Å; R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.43Å; R131-I134 PolarHBondContact O-N 3.42Å; R131-E135 WeakPolarHBondContact CG-OE1 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.42Å; R131-E135 PolarHBondContact O-N 2.85Å |
| 132 | G | 93.7 | Very high | 90.7 | Very high | 13 Ų | 13 | 59 Ų | 59 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A128 A129 L130 E135 R136 | A128-G132 PolarHBondContact O-N 3.42Å; A129-G132 PolarHBondContact O-N 3.38Å; L130-G132 PolarHBondContact O-N 2.7Å; G132-E135 PolarHBondContact O-N 3.41Å; G132-R136 WeakPolarHBondContact O-CG 3.32Å; G132-R136 PolarHBondContact O-N 3.02Å; G132-R136 VanDerWaalsContact O-N 3.12Å; G132-R136 PolarHBondContact O-NH1 2.91Å |
| 133 | A | 93 | Very high | 91.1 | Very high | 12 Ų | 12 | 66.4 Ų | 66.4 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P10 M46 A129 L130 R131 Y137 | P10-A133 HydrophobicContact CG-CB 3.94Å; M46-A133 HydrophobicContact CG-CB 4.45Å; M46-A133 HydrophobicContact SD-CB 4.21Å; A129-A133 WeakPolarHBondContact O-CB 3.37Å; A129-A133 PolarHBondContact O-N 3.06Å; L130-A133 PolarHBondContact O-N 3.03Å; R131-A133 VanDerWaalsContact C-N 3.3Å; R131-A133 PolarHBondContact O-N 3.43Å; A133-Y137 PolarHBondContact O-N 3.15Å |
| 134 | I | 94 | Very high | 91.2 | Very high | 23 Ų | 23 | 62.2 Ų | 62.2 | 12% | 0.118 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 174.4 | -67.9 | 169.3 | 0 | 0 | 0 | 110.5 | Y9 T108 I111 F112 L130 R131 R136 Y137 | Y9-I134 HydrophobicContact CD1-CB 4.36Å; Y9-I134 HydrophobicContact CD1-CG1 4.03Å; Y9-I134 HydrophobicContact CD1-CG2 4.12Å; Y9-I134 HydrophobicContact CE1-CG2 3.87Å; Y9-I134 HydrophobicContact CG-CG1 4.13Å; T108-I134 HydrophobicContact CG2-CD1 4.23Å; I111-I134 HydrophobicContact CG2-CD1 4Å; F112-I134 HydrophobicContact CE2-CD1 4.32Å; F112-I134 HydrophobicContact CZ-CD1 4.26Å; L130-I134 HydrophobicContact CD1-CD1 4.3Å; L130-I134 HydrophobicContact CG-CD1 4.24Å; L130-I134 WeakPolarHBondContact O-CG1 3.34Å; L130-I134 PolarHBondContact O-N 3.17Å; R131-I134 PolarHBondContact O-N 3.42Å; I134-R136 VanDerWaalsContact C-N 3.27Å; I134-R136 PolarHBondContact O-N 3.16Å; I134-Y137 VanDerWaalsContact O-CB 3.26Å; I134-Y137 WeakPolarHBondContact O-CB 3.05Å; I134-Y137 PolarHBondContact O-N 3.23Å |
| 135 | E | 93.9 | Very high | 91.1 | Very high | 147 Ų | 147 | 68.3 Ų | 68.3 | 69% | 0.687 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.9 | -31.6 | 179.4 | -73.1 | 170.8 | -174.6 | 0 | 0 | 113 | R131 G132 Y137 | R131-E135 WeakPolarHBondContact CG-OE1 3.3Å; R131-E135 WeakPolarHBondContact O-CG 3.42Å; R131-E135 PolarHBondContact O-N 2.85Å; G132-E135 PolarHBondContact O-N 3.41Å; E135-Y137 VanDerWaalsContact C-N 3.3Å |
| 136 | R | 93.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 70.2 Ų | 70.2 | 33% | 0.328 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.2 | 175.7 | -69.5 | -171.5 | -58.3 | -86.3 | 10 | 113.8 | M46 E52 Y80 G132 I134 E138 | M46-R136 PolarHBondContact O-NH2 3.38Å; E52-R136 IonicContact OE1-CZ 3.06Å; E52-R136 IonicContact OE1-NE 3.48Å; E52-R136 IonicContact OE1-NH2 3.59Å; E52-R136 PolarHBondContact OE1-NH2 3.02Å; E52-R136 IonicContact OE2-NE 3.23Å; E52-R136 IonicContact OE2-NH2 2.85Å; Y80-R136 HydrophobicContact CD2-CB 4.07Å; Y80-R136 HydrophobicContact CE2-CB 4.18Å; G132-R136 WeakPolarHBondContact O-CG 3.32Å; G132-R136 PolarHBondContact O-N 3.02Å; G132-R136 VanDerWaalsContact O-N 3.12Å; G132-R136 PolarHBondContact O-NH1 2.91Å; I134-R136 VanDerWaalsContact C-N 3.27Å; I134-R136 PolarHBondContact O-N 3.16Å; R136-E138 PolarHBondContact O-N 3.31Å |
| 137 | Y | 94.5 | Very high | 90.8 | Very high | 21 Ų | 21 | 67.5 Ų | 67.5 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | trans | -73.1 | 113.2 | -173.6 | -176 | -110.3 | 0 | 0 | 0 | 112.4 | S7 G8 Y9 A133 I134 E135 E139 P140 | S7-Y137 WeakPolarHBondContact OG-CE2 3.37Å; S7-Y137 PolarHBondContact OG-OH 3.17Å; G8-Y137 PolarHBondContact N-OH 3.43Å; Y9-Y137 AromaticContact CD1-CD1 3.87Å; Y9-Y137 HydrophobicContact CD1-CD1 3.87Å; Y9-Y137 HydrophobicContact CD1-CE1 4.49Å; Y9-Y137 AromaticContact CD1-CG 3.98Å; Y9-Y137 HydrophobicContact CD1-CG 3.98Å; Y9-Y137 AromaticContact CE1-CD1 3.37Å; Y9-Y137 HydrophobicContact CE1-CD1 3.37Å; Y9-Y137 HydrophobicContact CE1-CE1 4.12Å; Y9-Y137 AromaticContact CE1-CG 3.83Å; Y9-Y137 HydrophobicContact CE1-CG 3.83Å; A133-Y137 PolarHBondContact O-N 3.15Å; I134-Y137 VanDerWaalsContact O-CB 3.26Å; I134-Y137 WeakPolarHBondContact O-CB 3.05Å; I134-Y137 PolarHBondContact O-N 3.23Å; E135-Y137 VanDerWaalsContact C-N 3.3Å; Y137-E139 HydrophobicContact CD1-CG 3.8Å; Y137-E139 HydrophobicContact CE1-CB 4.15Å; Y137-E139 HydrophobicContact CE1-CG 3.7Å; Y137-E139 PolarHBondContact O-N 2.79Å; Y137-P140 WeakPolarHBondContact OH-CD 3.44Å | ||
| 138 | E | 94.6 | Very high | 90.7 | Very high | 82 Ų | 82 | 68.8 Ų | 68.8 | 38% | 0.383 | 32% | 0.322 | S | S | . | . | trans | -90.7 | 94.6 | 174.1 | -58.7 | 179.6 | 161.9 | 0 | 0 | 110 | Y80 Q82 R85 R136 | Y80-E138 WeakPolarHBondContact O-CA 3.41Å; Y80-E138 VanDerWaalsContact O-CB 3.29Å; Y80-E138 WeakPolarHBondContact O-CB 3.48Å; Y80-E138 PolarHBondContact O-N 2.92Å; Q82-E138 HydrophobicContact CB-CB 4.42Å; Q82-E138 WeakPolarHBondContact CB-OE2 3.32Å; Q82-E138 PolarHBondContact N-OE2 3.18Å; R85-E138 PolarHBondContact NH1-O 3.34Å; R85-E138 PolarHBondContact NH2-O 3.42Å; R85-E138 VanDerWaalsContact NH2-O 3.16Å; R136-E138 PolarHBondContact O-N 3.31Å | ||
| 139 | E | 92.7 | Very high | 90.8 | Very high | 73 Ų | 73 | 66.9 Ų | 66.9 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | trans | -53.1 | 138.2 | -179.5 | -50.9 | -161.4 | 155.2 | 0 | 0 | 112.3 | R103 Y137 K141 | R103-E139 VanDerWaalsContact CZ-CD 3.46Å; R103-E139 IonicContact CZ-OE1 3.97Å; R103-E139 IonicContact CZ-OE2 3.66Å; R103-E139 IonicContact NH1-OE1 3.37Å; R103-E139 IonicContact NH1-OE2 2.71Å; R103-E139 PolarHBondContact NH1-OE2 3.48Å; R103-E139 IonicContact NH2-OE1 2.71Å; R103-E139 PolarHBondContact NH2-OE1 2.79Å; R103-E139 IonicContact NH2-OE2 3.51Å; R103-E139 PolarHBondContact NH2-OE2 2.95Å; Y137-E139 HydrophobicContact CD1-CG 3.8Å; Y137-E139 HydrophobicContact CE1-CB 4.15Å; Y137-E139 HydrophobicContact CE1-CG 3.7Å; Y137-E139 PolarHBondContact O-N 2.79Å; E139-K141 WeakPolarHBondContact O-CG 3.3Å; E139-K141 PolarHBondContact O-N 3.41Å | ||
| 140 | P | 93.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 67 Ų | 67 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | trans | -56.1 | 132 | 173.1 | -24.5 | 33.2 | 0 | 0 | 0 | 112.5 | I101 Y137 D147 H149 | I101-P140 HydrophobicContact CG2-CB 4.34Å; I101-P140 HydrophobicContact CG2-CG 3.86Å; Y137-P140 WeakPolarHBondContact OH-CD 3.44Å; P140-D147 WeakPolarHBondContact CA-OD2 3.48Å; P140-H149 HydrophobicContact CB-CB 4.05Å; P140-H149 PolarHBondContact O-CE1 3.11Å | ||
| 141 | K | 88 | Confident | 91 | Very high | 94 Ų | 94 | 71.5 Ų | 71.5 | 41% | 0.409 | 32% | 0.324 | S | S | . | . | trans | -112.2 | 124.9 | -172.8 | -59.5 | -179.8 | -178.6 | 169.5 | 0 | 111.7 | E139 R143 S144 D147 | E139-K141 WeakPolarHBondContact O-CG 3.3Å; E139-K141 PolarHBondContact O-N 3.41Å; K141-R143 HydrophobicContact CB-CG 4.02Å; K141-R143 PolarHBondContact O-N 2.95Å; K141-S144 PolarHBondContact O-N 3.34Å; K141-D147 PolarHBondContact N-OD2 2.95Å | ||
| 142 | E | 82.8 | Confident | 91.1 | Very high | 141 Ų | 141 | 67.3 Ų | 67.3 | 66% | 0.659 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -13 | -177.8 | -60.8 | -173.3 | 173.1 | 0 | 0 | 115 | S144 L148 | E142-S144 PolarHBondContact O-N 3.1Å; E142-L148 HydrophobicContact CB-CD2 4.16Å; E142-L148 HydrophobicContact CG-CD2 4.44Å |
| 143 | R | 85.2 | Confident | 91.1 | Very high | 189 Ų | 189 | 69.8 Ų | 69.8 | 71% | 0.713 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.8 | 175.1 | 69.9 | -177.3 | -178.1 | 167 | 1.2 | 113.6 | K141 | K141-R143 HydrophobicContact CB-CG 4.02Å; K141-R143 PolarHBondContact O-N 2.95Å |
| 144 | S | 83 | Confident | 91 | Very high | 24 Ų | 24 | 72.3 Ų | 72.3 | 17% | 0.168 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -107.1 | 118.6 | -177 | -70.1 | 0 | 0 | 0 | 0 | 109.8 | K141 E142 W146 D147 L148 | K141-S144 PolarHBondContact O-N 3.34Å; E142-S144 PolarHBondContact O-N 3.1Å; S144-W146 PolarHBondContact O-N 3.1Å; S144-D147 PolarHBondContact O-N 3.44Å; S144-L148 PolarHBondContact O-N 2.83Å |
| 145 | K | 84.9 | Confident | 90.9 | Very high | 197 Ų | 197 | 78.6 Ų | 78.6 | 86% | 0.857 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.8 | 179.7 | -68.5 | -173.5 | 179.3 | -178.9 | 0 | 114.3 | ||
| 146 | W | 85.7 | Confident | 90.8 | Very high | 61 Ų | 61 | 74.8 Ų | 74.8 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -15.6 | 179.1 | 62.2 | -100.9 | 0 | 0 | 0 | 113.8 | Q82 Y86 F99 S144 | Q82-W146 HydrophobicContact CG-CH2 3.47Å; Q82-W146 VanDerWaalsContact CG-CH2 3.47Å; Q82-W146 HydrophobicContact CG-CZ2 4.27Å; Q82-W146 HydrophobicContact CG-CZ3 4.33Å; Y86-W146 AromaticContact CD2-CD2 3.69Å; Y86-W146 HydrophobicContact CD2-CD2 3.69Å; Y86-W146 AromaticContact CD2-CE2 3.73Å; Y86-W146 AromaticContact CD2-CE3 3.86Å; Y86-W146 HydrophobicContact CD2-CE3 3.86Å; Y86-W146 HydrophobicContact CD2-CG 4.19Å; Y86-W146 HydrophobicContact CD2-CH2 4.05Å; Y86-W146 AromaticContact CD2-CZ2 3.92Å; Y86-W146 HydrophobicContact CD2-CZ2 3.92Å; Y86-W146 HydrophobicContact CD2-CZ3 4.06Å; Y86-W146 HydrophobicContact CE2-CD2 4.31Å; Y86-W146 HydrophobicContact CE2-CG 4.39Å; Y86-W146 HydrophobicContact CG-CH2 4.27Å; Y86-W146 HydrophobicContact CG-CZ2 4.42Å; Y86-W146 HydrophobicContact CG-CZ3 4.39Å; F99-W146 WeakPolarHBondContact CE1-O 3.35Å; S144-W146 PolarHBondContact O-N 3.1Å |
| 147 | D | 89.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -108.9 | 13.6 | -178 | -154.1 | 35.5 | 0 | 0 | 0 | 111.7 | R85 I101 P140 K141 S144 | R85-D147 IonicContact CZ-OD1 2.7Å; R85-D147 IonicContact NE-OD1 3.51Å; R85-D147 PolarHBondContact NE-OD1 2.82Å; R85-D147 IonicContact NH2-OD1 3.18Å; R85-D147 PolarHBondContact NH2-OD1 2.94Å; R85-D147 IonicContact NH2-OD2 2.72Å; R85-D147 PolarHBondContact NH2-OD2 2.8Å; I101-D147 VanDerWaalsContact CD1-OD1 3.3Å; I101-D147 WeakPolarHBondContact CD1-OD1 3.32Å; P140-D147 WeakPolarHBondContact CA-OD2 3.48Å; K141-D147 PolarHBondContact N-OD2 2.95Å; S144-D147 PolarHBondContact O-N 3.44Å |
| 148 | L | 88.5 | Confident | 90.9 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | trans | -61.1 | 139.2 | 170.4 | -70.9 | 172.2 | 0 | 0 | 0 | 109.7 | E142 S144 | E142-L148 HydrophobicContact CB-CD2 4.16Å; E142-L148 HydrophobicContact CG-CD2 4.44Å; S144-L148 PolarHBondContact O-N 2.83Å | ||
| 149 | H | 94.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 75.4 Ų | 75.4 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 158.6 | -173.7 | 65.1 | -80.8 | 0 | 0 | 0 | 112.2 | I101 P140 | I101-H149 HydrophobicContact CB-CB 3.86Å; I101-H149 HydrophobicContact CG2-CB 3.79Å; I101-H149 CarbonylContact O-C 3.56Å; I101-H149 VanDerWaalsContact O-CA 3.23Å; I101-H149 WeakPolarHBondContact O-CA 3.42Å; P140-H149 HydrophobicContact CB-CB 4.05Å; P140-H149 PolarHBondContact O-CE1 3.11Å |
| 150 | F | 95.5 | Very high | 91.1 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 4% | 0.035 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.7 | 164.4 | -175.3 | -91.4 | 0 | 0 | 0 | 108.8 | L100 I101 V102 R103 Y152 S159 E162 L163 | L100-F150 HydrophobicContact CD1-CB 4.33Å; I101-F150 PolarHBondContact O-N 3.05Å; V102-F150 CarbonylContact C-O 3.17Å; V102-F150 WeakPolarHBondContact CA-O 3.42Å; V102-F150 HydrophobicContact CG1-CD1 4.32Å; R103-F150 PolarHBondContact N-O 3.44Å; F150-Y152 HydrophobicContact CE1-CD2 4.4Å; F150-Y152 PolarHBondContact O-N 3.46Å; F150-S159 WeakPolarHBondContact CZ-O 3.39Å; F150-E162 HydrophobicContact CE2-CB 4.18Å; F150-E162 HydrophobicContact CE2-CG 3.91Å; F150-E162 HydrophobicContact CZ-CB 4.1Å; F150-E162 HydrophobicContact CZ-CG 4.34Å; F150-L163 HydrophobicContact CB-CD1 4.31Å; F150-L163 HydrophobicContact CD1-CB 4.11Å; F150-L163 HydrophobicContact CD1-CD1 3.84Å; F150-L163 HydrophobicContact CD1-CD2 4.38Å; F150-L163 HydrophobicContact CD1-CG 4.33Å; F150-L163 HydrophobicContact CE1-CB 3.72Å; F150-L163 HydrophobicContact CE1-CD1 4.34Å; F150-L163 HydrophobicContact CE1-CD2 4.47Å; F150-L163 HydrophobicContact CE1-CG 4.39Å; F150-L163 HydrophobicContact CG-CD1 4.02Å; F150-L163 HydrophobicContact CZ-CB 3.99Å |
| 151 | L | 95.3 | Very high | 91.3 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 109.3 | 171.1 | -175.5 | 66 | 0 | 0 | 0 | 108.5 | R103 A105 | R103-L151 HydrophobicContact CB-CD1 4.34Å; R103-L151 HydrophobicContact CG-CD1 4.14Å; A105-L151 HydrophobicContact CB-CD1 3.89Å; A105-L151 HydrophobicContact CB-CG 4.37Å |
| 152 | Y | 96.7 | Very high | 91.7 | Very high | 19 Ų | 19 | 73.7 Ų | 73.7 | 8% | 0.075 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.6 | 174.5 | 179.3 | -97.2 | 0 | 0 | 0 | 109.9 | L17 R103 A105 F150 A154 L160 L163 | L17-Y152 HydrophobicContact CD1-CD1 4.3Å; L17-Y152 HydrophobicContact CD1-CD2 3.98Å; L17-Y152 HydrophobicContact CD1-CE1 3.94Å; L17-Y152 HydrophobicContact CD1-CE2 3.58Å; L17-Y152 HydrophobicContact CD1-CG 4.31Å; L17-Y152 HydrophobicContact CD2-CD1 3.66Å; L17-Y152 HydrophobicContact CD2-CD2 4.07Å; L17-Y152 HydrophobicContact CD2-CE1 4.07Å; L17-Y152 HydrophobicContact CD2-CE2 4.44Å; L17-Y152 HydrophobicContact CD2-CG 3.65Å; L17-Y152 HydrophobicContact CG-CD1 4.46Å; L17-Y152 HydrophobicContact CG-CE1 4.4Å; R103-Y152 PolarHBondContact O-N 2.91Å; A105-Y152 WeakPolarHBondContact CB-O 3.23Å; A105-Y152 PolarHBondContact N-O 2.98Å; F150-Y152 HydrophobicContact CE1-CD2 4.4Å; F150-Y152 PolarHBondContact O-N 3.46Å; Y152-A154 HydrophobicContact CE1-CB 4.01Å; Y152-L160 HydrophobicContact CE2-CB 4.05Å; Y152-L160 HydrophobicContact CE2-CD1 4.42Å; Y152-L163 HydrophobicContact CD2-CD2 3.88Å |
| 153 | D | 94.3 | Very high | 92.3 | Very high | 64 Ų | 64 | 67 Ų | 67 | 34% | 0.342 | 35% | 0.35 | S | S | . | . | trans | -111.5 | 121.3 | 173.6 | -172.6 | -11 | 0 | 0 | 0 | 108.4 | D155 D156 S159 | D153-D155 PolarHBondContact O-N 2.84Å; D153-D155 PolarHBondContact OD1-N 2.81Å; D153-D156 HydrophobicContact CB-CB 4.06Å; D153-S159 PolarHBondContact N-OG 2.98Å; D153-S159 VanDerWaalsContact N-OG 3.1Å; D153-S159 WeakPolarHBondContact O-CB 3.33Å | ||
| 154 | A | 91 | Very high | 92.8 | Very high | 65 Ų | 65 | 58 Ų | 58 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -72.7 | -21.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y152 | Y152-A154 HydrophobicContact CE1-CB 4.01Š|
| 155 | D | 90.6 | Very high | 93.4 | Very high | 155 Ų | 155 | 60.3 Ų | 60.3 | 83% | 0.829 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -89.3 | -15.2 | -178.5 | -61.3 | -38.5 | 0 | 0 | 0 | 112 | D153 | D153-D155 PolarHBondContact O-N 2.84Å; D153-D155 PolarHBondContact OD1-N 2.81Å |
| 156 | D | 93.7 | Very high | 93.8 | Very high | 67 Ų | 67 | 56.8 Ų | 56.8 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | trans | -89.6 | 111.6 | 172.9 | 176.6 | 17.8 | 0 | 0 | 0 | 111.7 | D153 N158 S159 | D153-D156 HydrophobicContact CB-CB 4.06Å; D156-N158 PolarHBondContact O-N 2.92Å; D156-N158 VanDerWaalsContact O-N 3.11Å; D156-N158 PolarHBondContact OD1-N 3.04Å; D156-N158 PolarHBondContact OD1-ND2 3.23Å; D156-S159 WeakPolarHBondContact O-CB 3.37Å; D156-S159 PolarHBondContact O-N 3.16Å | ||
| 157 | A | 93.3 | Very high | 94.2 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 72% | 0.719 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -22.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P161 | A157-P161 WeakPolarHBondContact O-CD 3.34Š|
| 158 | N | 95.3 | Very high | 94.3 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -18.2 | 178.4 | -59.9 | -61.9 | 0 | 0 | 0 | 113.3 | D156 L160 P161 E162 | D156-N158 PolarHBondContact O-N 2.92Å; D156-N158 VanDerWaalsContact O-N 3.11Å; D156-N158 PolarHBondContact OD1-N 3.04Å; D156-N158 PolarHBondContact OD1-ND2 3.23Å; N158-L160 PolarHBondContact O-N 3.35Å; N158-P161 WeakPolarHBondContact O-CD 3.42Å; N158-E162 WeakPolarHBondContact O-CB 3.37Å; N158-E162 PolarHBondContact O-N 2.77Å |
| 159 | S | 95.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.028 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -43.4 | -172.6 | -162.9 | 0 | 0 | 0 | 0 | 112.2 | F150 D153 D156 L163 | F150-S159 WeakPolarHBondContact CZ-O 3.39Å; D153-S159 PolarHBondContact N-OG 2.98Å; D153-S159 VanDerWaalsContact N-OG 3.1Å; D153-S159 WeakPolarHBondContact O-CB 3.33Å; D156-S159 WeakPolarHBondContact O-CB 3.37Å; D156-S159 PolarHBondContact O-N 3.16Å; S159-L163 VanDerWaalsContact O-CB 3.26Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 PolarHBondContact O-N 3.32Å |
| 160 | L | 96.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 58 Ų | 58 | 5% | 0.047 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69 | -50.8 | 179 | 176.4 | 71.7 | 0 | 0 | 0 | 113.2 | L17 R20 L21 E24 Y152 N158 E162 L163 C164 | L17-L160 HydrophobicContact CD1-CD1 4.18Å; R20-L160 HydrophobicContact CG-CD1 4.41Å; R20-L160 HydrophobicContact CG-CD2 3.96Å; L21-L160 HydrophobicContact CD2-CD1 4.02Å; E24-L160 HydrophobicContact CG-CD2 4.17Å; Y152-L160 HydrophobicContact CE2-CB 4.05Å; Y152-L160 HydrophobicContact CE2-CD1 4.42Å; N158-L160 PolarHBondContact O-N 3.35Å; L160-E162 VanDerWaalsContact C-N 3.28Å; L160-E162 PolarHBondContact O-N 2.72Å; L160-L163 PolarHBondContact O-N 3.41Å; L160-C164 PolarHBondContact O-N 2.76Å; L160-C164 PolarHBondContact O-SG 3.37Å |
| 161 | P | 96.2 | Very high | 93.3 | Very high | 45 Ų | 45 | 66 Ų | 66 | 29% | 0.292 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -55.1 | -41.1 | 173.7 | -27.7 | 33.5 | 0 | 0 | 0 | 113.8 | Y28 A157 N158 N165 | Y28-P161 HydrophobicContact CE1-CB 4.31Å; Y28-P161 WeakPolarHBondContact OH-CA 3.3Å; Y28-P161 WeakPolarHBondContact OH-CB 3.29Å; A157-P161 WeakPolarHBondContact O-CD 3.34Å; N158-P161 WeakPolarHBondContact O-CD 3.42Å; P161-N165 WeakPolarHBondContact O-CB 3.3Å; P161-N165 PolarHBondContact O-N 2.98Å; P161-N165 PolarHBondContact O-ND2 2.74Å |
| 162 | E | 96.4 | Very high | 92.9 | Very high | 83 Ų | 83 | 65.1 Ų | 65.1 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.4 | -167.5 | -174.6 | 160.8 | 0 | 0 | 111.5 | F150 N158 L160 N165 R166 | F150-E162 HydrophobicContact CE2-CB 4.18Å; F150-E162 HydrophobicContact CE2-CG 3.91Å; F150-E162 HydrophobicContact CZ-CB 4.1Å; F150-E162 HydrophobicContact CZ-CG 4.34Å; N158-E162 WeakPolarHBondContact O-CB 3.37Å; N158-E162 PolarHBondContact O-N 2.77Å; L160-E162 VanDerWaalsContact C-N 3.28Å; L160-E162 PolarHBondContact O-N 2.72Å; E162-N165 PolarHBondContact O-N 2.89Å; E162-R166 WeakPolarHBondContact O-CG 3.29Å; E162-R166 PolarHBondContact O-N 3.13Å; E162-R166 IonicContact OE1-CZ 3.19Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.58Å; E162-R166 PolarHBondContact OE1-NE 3.44Å; E162-R166 IonicContact OE1-NH2 2.98Å; E162-R166 PolarHBondContact OE1-NH2 2.68Å |
| 163 | L | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 176.5 | 177.6 | 55.8 | 0 | 0 | 0 | 111.9 | L17 L21 L100 V102 F150 Y152 S159 L160 N165 R166 I167 | L17-L163 HydrophobicContact CD1-CD2 4.14Å; L17-L163 HydrophobicContact CD2-CD2 4.19Å; L21-L163 HydrophobicContact CD1-CD2 4.17Å; L21-L163 HydrophobicContact CD2-CD2 3.92Å; L21-L163 HydrophobicContact CD2-CG 4.07Å; L21-L163 HydrophobicContact CG-CD2 4.5Å; L100-L163 HydrophobicContact CD2-CD1 3.79Å; V102-L163 HydrophobicContact CG1-CD1 4.23Å; V102-L163 HydrophobicContact CG1-CD2 3.77Å; V102-L163 HydrophobicContact CG2-CD1 3.59Å; V102-L163 HydrophobicContact CG2-CD2 4.33Å; F150-L163 HydrophobicContact CB-CD1 4.31Å; F150-L163 HydrophobicContact CD1-CB 4.11Å; F150-L163 HydrophobicContact CD1-CD1 3.84Å; F150-L163 HydrophobicContact CD1-CD2 4.38Å; F150-L163 HydrophobicContact CD1-CG 4.33Å; F150-L163 HydrophobicContact CE1-CB 3.72Å; F150-L163 HydrophobicContact CE1-CD1 4.34Å; F150-L163 HydrophobicContact CE1-CD2 4.47Å; F150-L163 HydrophobicContact CE1-CG 4.39Å; F150-L163 HydrophobicContact CG-CD1 4.02Å; F150-L163 HydrophobicContact CZ-CB 3.99Å; Y152-L163 HydrophobicContact CD2-CD2 3.88Å; S159-L163 VanDerWaalsContact O-CB 3.26Å; S159-L163 WeakPolarHBondContact O-CB 3.21Å; S159-L163 PolarHBondContact O-N 3.32Å; L160-L163 PolarHBondContact O-N 3.41Å; L163-N165 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.26Å; L163-R166 PolarHBondContact O-N 3.19Å; L163-I167 HydrophobicContact CD1-CD1 3.81Å; L163-I167 HydrophobicContact CD1-CG1 4.11Å; L163-I167 HydrophobicContact CG-CD1 3.9Å; L163-I167 WeakPolarHBondContact O-CG1 3.15Å; L163-I167 PolarHBondContact O-N 2.83Å |
| 164 | C | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 177.2 | -73.7 | 0 | 0 | 0 | 0 | 111.6 | L25 Y28 L160 I167 A168 | L25-C164 HydrophobicContact CD2-CB 4.32Å; Y28-C164 HydrophobicContact CD1-CB 3.82Å; Y28-C164 HydrophobicContact CD2-CB 3.48Å; Y28-C164 VanDerWaalsContact CD2-CB 3.48Å; Y28-C164 HydrophobicContact CE1-CB 3.9Å; Y28-C164 HydrophobicContact CE2-CB 3.59Å; Y28-C164 HydrophobicContact CG-CB 3.63Å; L160-C164 PolarHBondContact O-N 2.76Å; L160-C164 PolarHBondContact O-SG 3.37Å; C164-I167 PolarHBondContact O-N 3.48Å; C164-A168 WeakPolarHBondContact O-CB 3.47Å; C164-A168 PolarHBondContact O-N 3.43Å |
| 165 | N | 94.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 70.9 Ų | 70.9 | 39% | 0.39 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 175.5 | -80.1 | -49.4 | 0 | 0 | 0 | 112.3 | P161 E162 L163 I167 A168 L169 | P161-N165 WeakPolarHBondContact O-CB 3.3Å; P161-N165 PolarHBondContact O-N 2.98Å; P161-N165 PolarHBondContact O-ND2 2.74Å; E162-N165 PolarHBondContact O-N 2.89Å; L163-N165 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.26Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 PolarHBondContact O-N 2.72Å; N165-A168 PolarHBondContact O-N 2.78Å; N165-L169 VanDerWaalsContact O-CB 3.31Å; N165-L169 WeakPolarHBondContact O-CB 3.34Å; N165-L169 VanDerWaalsContact O-CG 3.29Å; N165-L169 WeakPolarHBondContact O-CG 3.44Å; N165-L169 PolarHBondContact O-N 3.3Å |
| 166 | R | 93.7 | Very high | 89.7 | Confident | 123 Ų | 123 | 67 Ų | 67 | 46% | 0.464 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.5 | -38.7 | 177.4 | -75.3 | -178.6 | -178 | -142.1 | 8.8 | 112.4 | L100 E162 L163 G170 | L100-R166 HydrophobicContact CD2-CB 4.46Å; E162-R166 WeakPolarHBondContact O-CG 3.29Å; E162-R166 PolarHBondContact O-N 3.13Å; E162-R166 IonicContact OE1-CZ 3.19Å; E162-R166 VanDerWaalsContact OE1-CZ 3.24Å; E162-R166 IonicContact OE1-NE 3.58Å; E162-R166 PolarHBondContact OE1-NE 3.44Å; E162-R166 IonicContact OE1-NH2 2.98Å; E162-R166 PolarHBondContact OE1-NH2 2.68Å; L163-R166 PolarHBondContact O-N 3.19Å; R166-G170 WeakPolarHBondContact O-CA 3.47Å; R166-G170 PolarHBondContact O-N 3.44Å; R166-G170 VanDerWaalsContact O-N 3.15Å |
| 167 | I | 94.5 | Very high | 88.3 | Confident | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.026 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -67.8 | -47.7 | 175.9 | -66.9 | 166 | 0 | 0 | 0 | 110.4 | V4 L21 L25 I72 L100 L163 C164 N165 L169 G170 | V4-I167 HydrophobicContact CG1-CD1 4.16Å; V4-I167 HydrophobicContact CG2-CD1 4.01Å; V4-I167 HydrophobicContact CG2-CG1 3.93Å; V4-I167 HydrophobicContact CG2-CG2 4.02Å; L21-I167 HydrophobicContact CD1-CD1 4.22Å; L21-I167 HydrophobicContact CD2-CD1 3.9Å; L25-I167 HydrophobicContact CD1-CG2 4.21Å; L25-I167 HydrophobicContact CD2-CB 3.86Å; L25-I167 HydrophobicContact CD2-CD1 4.23Å; L25-I167 HydrophobicContact CD2-CG2 3.66Å; I72-I167 HydrophobicContact CD1-CG2 3.73Å; I72-I167 HydrophobicContact CG2-CG2 4.31Å; L100-I167 HydrophobicContact CD2-CG1 3.7Å; L163-I167 HydrophobicContact CD1-CD1 3.81Å; L163-I167 HydrophobicContact CD1-CG1 4.11Å; L163-I167 HydrophobicContact CG-CD1 3.9Å; L163-I167 WeakPolarHBondContact O-CG1 3.15Å; L163-I167 PolarHBondContact O-N 2.83Å; C164-I167 PolarHBondContact O-N 3.48Å; N165-I167 VanDerWaalsContact C-N 3.33Å; N165-I167 PolarHBondContact O-N 2.72Å; I167-L169 PolarHBondContact O-N 3.2Å; I167-G170 PolarHBondContact O-N 2.85Å |
| 168 | A | 91.1 | Very high | 87.2 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | C164 N165 G170 | C164-A168 WeakPolarHBondContact O-CB 3.47Å; C164-A168 PolarHBondContact O-N 3.43Å; N165-A168 PolarHBondContact O-N 2.78Å; A168-G170 VanDerWaalsContact C-N 3.32Å |
| 169 | L | 88.5 | Confident | 85.8 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 2.2 | 179.3 | -59.8 | 174.1 | 0 | 0 | 0 | 113.4 | N165 I167 K171 | N165-L169 VanDerWaalsContact O-CB 3.31Å; N165-L169 WeakPolarHBondContact O-CB 3.34Å; N165-L169 VanDerWaalsContact O-CG 3.29Å; N165-L169 WeakPolarHBondContact O-CG 3.44Å; N165-L169 PolarHBondContact O-N 3.3Å; I167-L169 PolarHBondContact O-N 3.2Å; L169-K171 PolarHBondContact O-N 2.7Å |
| 170 | G | 85.2 | Confident | 84.2 | Confident | 24 Ų | 24 | 73.5 Ų | 73.5 | 25% | 0.247 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 125.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R166 I167 A168 | R166-G170 WeakPolarHBondContact O-CA 3.47Å; R166-G170 PolarHBondContact O-N 3.44Å; R166-G170 VanDerWaalsContact O-N 3.15Å; I167-G170 PolarHBondContact O-N 2.85Å; A168-G170 VanDerWaalsContact C-N 3.32Å |
| 171 | K | 85 | Confident | 82.7 | Confident | 176 Ų | 176 | 77.1 Ų | 77.1 | 77% | 0.765 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 139 | 179.7 | -65.4 | -176.4 | -177.7 | 178.2 | 0 | 111.6 | G98 L169 | G98-K171 WeakPolarHBondContact CA-O 3.43Å; L169-K171 PolarHBondContact O-N 2.7Å |
| 172 | P | 85.3 | Confident | 81.1 | Confident | 77 Ų | 77 | 80 Ų | 80 | 50% | 0.5 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 138.3 | 168.7 | -31.7 | 39.1 | 0 | 0 | 0 | 113.3 | K96 | K96-P172 WeakPolarHBondContact O-CB 3.38Š|
| 173 | L | 85.3 | Confident | 79.3 | Confident | 49 Ų | 49 | 79.3 Ų | 79.3 | 26% | 0.257 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 143.2 | 169 | -63.4 | -176.3 | 0 | 0 | 0 | 110.3 | A92 K93 V97 F99 S175 | A92-L173 HydrophobicContact CB-CD1 4.17Å; K93-L173 HydrophobicContact CG-CB 3.96Å; K93-L173 HydrophobicContact CG-CD1 3.54Å; K93-L173 HydrophobicContact CG-CG 4.41Å; V97-L173 WeakPolarHBondContact O-CB 3.35Å; V97-L173 WeakPolarHBondContact O-CG 3.42Å; V97-L173 PolarHBondContact O-N 2.83Å; F99-L173 HydrophobicContact CB-CD1 3.65Å; F99-L173 HydrophobicContact CB-CG 4.25Å; L173-S175 PolarHBondContact O-N 3.21Å |
| 174 | K | 77.6 | Confident | 77.6 | Confident | 196 Ų | 196 | 85.5 Ų | 85.5 | 85% | 0.852 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 122.2 | 170.5 | -67 | -175.5 | 178.5 | -176.4 | 0 | 108.9 | ||
| 175 | S | 67.8 | Low | 76.1 | Confident | 25 Ų | 25 | 88.4 Ų | 88.4 | 18% | 0.175 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 130.5 | 172.8 | -170 | 0 | 0 | 0 | 0 | 110 | K93 L173 T179 Q180 | K93-S175 VanDerWaalsContact O-CB 3.26Å; K93-S175 WeakPolarHBondContact O-CB 3.23Å; K93-S175 PolarHBondContact O-OG 3.2Å; L173-S175 PolarHBondContact O-N 3.21Å; S175-T179 PolarHBondContact OG-OG1 2.99Å; S175-Q180 WeakPolarHBondContact OG-CG 3.45Å |
| 176 | N | 74.8 | Confident | 74.8 | Confident | 73 Ų | 73 | 88.7 Ų | 88.7 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -99.8 | 161.1 | 172.1 | 45.7 | -26.9 | 0 | 0 | 0 | 109.9 | S178 T179 Q180 | N176-S178 PolarHBondContact O-N 2.96Å; N176-T179 PolarHBondContact N-OG1 2.78Å; N176-T179 PolarHBondContact O-N 2.84Å; N176-T179 PolarHBondContact O-OG1 3.49Å; N176-T179 WeakPolarHBondContact OD1-CG2 3.4Å; N176-T179 PolarHBondContact OD1-OG1 2.9Å; N176-Q180 PolarHBondContact O-N 3.47Å |
| 177 | K | 65.9 | Low | 73.7 | Confident | 167 Ų | 167 | 87.9 Ų | 87.9 | 73% | 0.726 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -53 | -31.9 | -176.3 | -71 | -168.9 | 175.2 | -169.7 | 0 | 113.2 | T179 Q180 | K177-T179 VanDerWaalsContact C-N 3.27Å; K177-T179 PolarHBondContact O-N 3.38Å; K177-Q180 PolarHBondContact O-N 2.69Å |
| 178 | S | 68.7 | Low | 72.8 | Confident | 116 Ų | 116 | 90.8 Ų | 90.8 | 81% | 0.811 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -69.8 | -16 | 177.2 | -48.4 | 0 | 0 | 0 | 0 | 115.1 | N176 | N176-S178 PolarHBondContact O-N 2.96Š|
| 179 | T | 65.5 | Low | 72.5 | Confident | 17 Ų | 17 | 89.2 Ų | 89.2 | 10% | 0.104 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -112.8 | 0.6 | 178.6 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | K93 E94 S175 N176 K177 | K93-T179 HydrophobicContact CB-CG2 3.87Å; K93-T179 HydrophobicContact CD-CG2 4.14Å; E94-T179 VanDerWaalsContact CA-O 3.32Å; E94-T179 WeakPolarHBondContact CA-O 3.39Å; E94-T179 VanDerWaalsContact CB-O 3.28Å; E94-T179 WeakPolarHBondContact CB-O 3.44Å; E94-T179 WeakPolarHBondContact CG-O 3.43Å; S175-T179 PolarHBondContact OG-OG1 2.99Å; N176-T179 PolarHBondContact N-OG1 2.78Å; N176-T179 PolarHBondContact O-N 2.84Å; N176-T179 PolarHBondContact O-OG1 3.49Å; N176-T179 WeakPolarHBondContact OD1-CG2 3.4Å; N176-T179 PolarHBondContact OD1-OG1 2.9Å; K177-T179 VanDerWaalsContact C-N 3.27Å; K177-T179 PolarHBondContact O-N 3.38Å |
| 180 | Q | 64.2 | Low | 72.3 | Confident | 108 Ų | 108 | 88.5 Ų | 88.5 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -82.3 | 125.3 | 175.4 | -70.8 | 177.5 | 10.8 | 0 | 0 | 108.1 | S175 N176 K177 V182 | S175-Q180 WeakPolarHBondContact OG-CG 3.45Å; N176-Q180 PolarHBondContact O-N 3.47Å; K177-Q180 PolarHBondContact O-N 2.69Å; Q180-V182 PolarHBondContact O-N 3.48Å |
| 181 | S | 64.2 | Low | 72.5 | Confident | 84 Ų | 84 | 91.4 Ų | 91.4 | 59% | 0.587 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 131 | 164.7 | 49.1 | 0 | 0 | 0 | 0 | 108.2 | P183 | S181-P183 WeakPolarHBondContact O-CD 3.41Š|
| 182 | V | 62.9 | Low | 72.7 | Confident | 105 Ų | 105 | 85.4 Ų | 85.4 | 64% | 0.636 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 121.9 | 172.9 | 177.7 | 0 | 0 | 0 | 0 | 106.4 | Q180 P253 | Q180-V182 PolarHBondContact O-N 3.48Å; V182-P253 HydrophobicContact CG1-CG 3.96Å |
| 183 | P | 59.1 | Low | 73 | Confident | 69 Ų | 69 | 82.1 Ų | 82.1 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 140.5 | 178.8 | 21 | -29.9 | 0 | 0 | 0 | 109.1 | S181 T185 P253 | S181-P183 WeakPolarHBondContact O-CD 3.41Å; P183-T185 PolarHBondContact O-N 3.27Å; P183-P253 HydrophobicContact CG-CB 4.36Å |
| 184 | P | 59.7 | Low | 73.3 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 85% | 0.851 | 47% | 0.47 | S | S | * | . | trans | -57 | 115.6 | 178.4 | 22.6 | -31 | 0 | 0 | 0 | 108.7 | ||||
| 185 | T | 64.2 | Low | 74.1 | Confident | 61 Ų | 61 | 78.7 Ų | 78.7 | 37% | 0.374 | 45% | 0.45 | S | S | . | . | trans | -64 | 133.9 | 177.2 | -50 | 0 | 0 | 0 | 0 | 109.2 | P183 A187 F189 F190 | P183-T185 PolarHBondContact O-N 3.27Å; T185-A187 PolarHBondContact O-N 2.93Å; T185-F189 HydrophobicContact CG2-CB 3.25Å; T185-F189 HydrophobicContact CG2-CD1 3.46Å; T185-F189 VanDerWaalsContact CG2-CD1 3.46Å; T185-F189 HydrophobicContact CG2-CD2 3.96Å; T185-F189 HydrophobicContact CG2-CE1 4.25Å; T185-F189 HydrophobicContact CG2-CG 3.27Å; T185-F190 HydrophobicContact CG2-CE2 4.5Å | ||
| 186 | E | 68.3 | Low | 75.3 | Confident | 78 Ų | 78 | 77.7 Ų | 77.7 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | trans | -51.1 | 137.4 | 174.3 | -67.7 | 178.9 | 171.3 | 0 | 0 | 110.1 | S188 F189 H256 A257 | E186-S188 PolarHBondContact O-N 3.44Å; E186-F189 WeakPolarHBondContact O-CB 3.47Å; E186-F189 PolarHBondContact O-N 3.16Å; E186-H256 IonicContact OE1-ND1 3.52Å; E186-H256 PolarHBondContact OE1-ND1 3.49Å; E186-A257 PolarHBondContact OE2-N 2.99Å | ||
| 187 | A | 70.6 | Confident | 76.2 | Confident | 107 Ų | 107 | 74.2 Ų | 74.2 | 88% | 0.884 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -27.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | T185 | T185-A187 PolarHBondContact O-N 2.93Š|
| 188 | S | 75.9 | Confident | 77.5 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 46% | 0.455 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5.8 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 114.4 | E186 F190 P191 E192 | E186-S188 PolarHBondContact O-N 3.44Å; S188-F190 PolarHBondContact O-N 3.31Å; S188-P191 WeakPolarHBondContact O-CD 3.41Å; S188-E192 WeakPolarHBondContact O-CB 3.48Å; S188-E192 PolarHBondContact O-N 3.23Å |
| 189 | F | 83.9 | Confident | 78.8 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 4% | 0.039 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.3 | -49.1 | -167.9 | -174.5 | -95.9 | 0 | 0 | 0 | 114.3 | T185 E186 E192 L193 V249 V254 A257 L260 | T185-F189 HydrophobicContact CG2-CB 3.25Å; T185-F189 HydrophobicContact CG2-CD1 3.46Å; T185-F189 VanDerWaalsContact CG2-CD1 3.46Å; T185-F189 HydrophobicContact CG2-CD2 3.96Å; T185-F189 HydrophobicContact CG2-CE1 4.25Å; T185-F189 HydrophobicContact CG2-CG 3.27Å; E186-F189 WeakPolarHBondContact O-CB 3.47Å; E186-F189 PolarHBondContact O-N 3.16Å; F189-E192 PolarHBondContact O-N 2.96Å; F189-L193 HydrophobicContact CE1-CD2 4.43Å; F189-L193 VanDerWaalsContact O-CB 3.29Å; F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 3.39Å; F189-V249 HydrophobicContact CE1-CG1 3.57Å; F189-V249 HydrophobicContact CZ-CG1 3.38Å; F189-V254 HydrophobicContact CE2-CB 3.89Å; F189-V254 HydrophobicContact CE2-CG1 4.49Å; F189-V254 HydrophobicContact CZ-CB 4.08Å; F189-A257 HydrophobicContact CD2-CB 4.43Å; F189-L260 HydrophobicContact CD2-CD1 4.12Å; F189-L260 HydrophobicContact CE2-CD1 3.91Å; F189-L260 HydrophobicContact CE2-CD2 3.81Å; F189-L260 HydrophobicContact CE2-CG 4.08Å; F189-L260 HydrophobicContact CZ-CD1 4.33Å; F189-L260 HydrophobicContact CZ-CD2 3.76Å; F189-L260 HydrophobicContact CZ-CG 4.48Å |
| 190 | F | 84.7 | Confident | 80.1 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 54% | 0.535 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.8 | -44.2 | -178.5 | -67.7 | -72.1 | 0 | 0 | 0 | 113 | T185 S188 E192 L193 D194 | T185-F190 HydrophobicContact CG2-CE2 4.5Å; S188-F190 PolarHBondContact O-N 3.31Å; F190-E192 VanDerWaalsContact C-N 3.27Å; F190-E192 PolarHBondContact O-N 3.23Å; F190-L193 PolarHBondContact O-N 3.45Å; F190-D194 PolarHBondContact O-N 2.84Å |
| 191 | P | 88.3 | Confident | 81.5 | Confident | 85 Ų | 85 | 62.6 Ų | 62.6 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -54.5 | -44 | 169.2 | -27.5 | 34.2 | 0 | 0 | 0 | 112.6 | S188 D194 R195 | S188-P191 WeakPolarHBondContact O-CD 3.41Å; P191-D194 PolarHBondContact O-N 3.31Å; P191-R195 VanDerWaalsContact O-CB 3.31Å; P191-R195 WeakPolarHBondContact O-CB 3.49Å; P191-R195 PolarHBondContact O-N 3.33Å |
| 192 | E | 89.6 | Confident | 83 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 23% | 0.234 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69.6 | -39.8 | -178 | -168.9 | 61.7 | -171.2 | 0 | 0 | 112.2 | S188 F189 F190 D194 R195 I196 A257 L260 | S188-E192 WeakPolarHBondContact O-CB 3.48Å; S188-E192 PolarHBondContact O-N 3.23Å; F189-E192 PolarHBondContact O-N 2.96Å; F190-E192 VanDerWaalsContact C-N 3.27Å; F190-E192 PolarHBondContact O-N 3.23Å; E192-D194 PolarHBondContact O-N 3.24Å; E192-R195 PolarHBondContact O-N 2.78Å; E192-R195 IonicContact OE1-CZ 3.44Å; E192-R195 IonicContact OE1-NE 3.78Å; E192-R195 PolarHBondContact OE1-NE 2.81Å; E192-R195 IonicContact OE1-NH2 2.68Å; E192-R195 PolarHBondContact OE1-NH2 3.25Å; E192-R195 IonicContact OE2-CZ 3.41Å; E192-R195 IonicContact OE2-NE 3.36Å; E192-R195 PolarHBondContact OE2-NE 2.89Å; E192-R195 IonicContact OE2-NH2 2.65Å; E192-I196 HydrophobicContact CG-CD1 3.77Å; E192-I196 HydrophobicContact CG-CG1 4.37Å; E192-I196 WeakPolarHBondContact O-CB 3.4Å; E192-I196 VanDerWaalsContact O-CG1 3.29Å; E192-I196 WeakPolarHBondContact O-CG1 3.17Å; E192-I196 PolarHBondContact O-N 3.47Å; E192-A257 HydrophobicContact CB-CB 4.22Å; E192-A257 HydrophobicContact CG-CB 3.97Å; E192-L260 HydrophobicContact CB-CD1 4.44Å; E192-L260 HydrophobicContact CG-CD1 4.37Å |
| 193 | L | 92.1 | Very high | 84.5 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 172.3 | 177.7 | 65.3 | 0 | 0 | 0 | 111.9 | F189 F190 T197 F245 V246 L260 | F189-L193 HydrophobicContact CE1-CD2 4.43Å; F189-L193 VanDerWaalsContact O-CB 3.29Å; F189-L193 WeakPolarHBondContact O-CB 3.49Å; F189-L193 PolarHBondContact O-N 3.39Å; F190-L193 PolarHBondContact O-N 3.45Å; L193-T197 HydrophobicContact CD1-CG2 4.09Å; L193-T197 WeakPolarHBondContact O-CB 3.39Å; L193-T197 VanDerWaalsContact O-CG2 3.25Å; L193-T197 WeakPolarHBondContact O-CG2 3.25Å; L193-T197 PolarHBondContact O-N 3.14Å; L193-T197 PolarHBondContact O-OG1 3.09Å; L193-F245 HydrophobicContact CD1-CD1 4Å; L193-F245 HydrophobicContact CD1-CE1 3.57Å; L193-V246 HydrophobicContact CD2-CG2 4.23Å; L193-L260 HydrophobicContact CB-CD1 4.09Å; L193-L260 HydrophobicContact CD1-CD2 4.11Å |
| 194 | D | 92.4 | Very high | 86.1 | Confident | 57 Ų | 57 | 57.1 Ų | 57.1 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176.7 | -176.7 | 59.7 | 0 | 0 | 0 | 111.2 | F190 P191 E192 T197 K198 R242 | F190-D194 PolarHBondContact O-N 2.84Å; P191-D194 PolarHBondContact O-N 3.31Å; E192-D194 PolarHBondContact O-N 3.24Å; D194-T197 PolarHBondContact O-OG1 3.4Å; D194-K198 WeakPolarHBondContact O-CB 3.3Å; D194-K198 VanDerWaalsContact O-CG 3.29Å; D194-K198 WeakPolarHBondContact O-CG 3.37Å; D194-K198 PolarHBondContact O-N 3.47Å; D194-K198 WeakPolarHBondContact OD1-CE 3.5Å; D194-K198 IonicContact OD1-NZ 2.62Å; D194-K198 PolarHBondContact OD1-NZ 3.19Å; D194-K198 WeakPolarHBondContact OD2-CE 3.41Å; D194-K198 IonicContact OD2-NZ 3.45Å; D194-K198 PolarHBondContact OD2-NZ 3.07Å; D194-R242 IonicContact OD1-CZ 3.69Å; D194-R242 IonicContact OD1-NH1 2.85Å; D194-R242 IonicContact OD1-NH2 3.68Å; D194-R242 PolarHBondContact OD1-NH2 2.83Å |
| 195 | R | 92.9 | Very high | 87.7 | Confident | 116 Ų | 116 | 53.2 Ų | 53.2 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.1 | -51.6 | 179.4 | -169.9 | -170 | 74.9 | 76.6 | -2 | 111.9 | P191 E192 M199 | P191-R195 VanDerWaalsContact O-CB 3.31Å; P191-R195 WeakPolarHBondContact O-CB 3.49Å; P191-R195 PolarHBondContact O-N 3.33Å; E192-R195 PolarHBondContact O-N 2.78Å; E192-R195 IonicContact OE1-CZ 3.44Å; E192-R195 IonicContact OE1-NE 3.78Å; E192-R195 PolarHBondContact OE1-NE 2.81Å; E192-R195 IonicContact OE1-NH2 2.68Å; E192-R195 PolarHBondContact OE1-NH2 3.25Å; E192-R195 IonicContact OE2-CZ 3.41Å; E192-R195 IonicContact OE2-NE 3.36Å; E192-R195 PolarHBondContact OE2-NE 2.89Å; E192-R195 IonicContact OE2-NH2 2.65Å; R195-M199 WeakPolarHBondContact O-CB 3.26Å; R195-M199 PolarHBondContact O-N 3.33Å |
| 196 | I | 93 | Very high | 89.1 | Confident | 4 Ų | 4 | 54.7 Ų | 54.7 | 2% | 0.021 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -48.1 | -178.6 | -73.2 | 173 | 0 | 0 | 0 | 110.7 | E192 K198 M199 V200 L260 M261 | E192-I196 HydrophobicContact CG-CD1 3.77Å; E192-I196 HydrophobicContact CG-CG1 4.37Å; E192-I196 WeakPolarHBondContact O-CB 3.4Å; E192-I196 VanDerWaalsContact O-CG1 3.29Å; E192-I196 WeakPolarHBondContact O-CG1 3.17Å; E192-I196 PolarHBondContact O-N 3.47Å; I196-K198 PolarHBondContact O-N 2.99Å; I196-M199 PolarHBondContact O-N 3.46Å; I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 2.8Å; I196-L260 HydrophobicContact CD1-CB 3.65Å; I196-L260 HydrophobicContact CD1-CD1 4.46Å; I196-M261 HydrophobicContact CB-CE 4.29Å; I196-M261 HydrophobicContact CD1-CB 4.45Å; I196-M261 HydrophobicContact CD1-CE 4.48Å; I196-M261 HydrophobicContact CG1-CE 3.92Å; I196-M261 HydrophobicContact CG2-CB 4.46Å; I196-M261 HydrophobicContact CG2-CE 3.77Å; I196-M261 HydrophobicContact CG2-SD 3.93Å |
| 197 | T | 94.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -40.2 | -177.7 | 55 | 0 | 0 | 0 | 0 | 112.1 | L193 D194 M201 R242 F245 F264 | L193-T197 HydrophobicContact CD1-CG2 4.09Å; L193-T197 WeakPolarHBondContact O-CB 3.39Å; L193-T197 VanDerWaalsContact O-CG2 3.25Å; L193-T197 WeakPolarHBondContact O-CG2 3.25Å; L193-T197 PolarHBondContact O-N 3.14Å; L193-T197 PolarHBondContact O-OG1 3.09Å; D194-T197 PolarHBondContact O-OG1 3.4Å; T197-M201 WeakPolarHBondContact O-CB 2.97Å; T197-M201 WeakPolarHBondContact O-CG 3.35Å; T197-M201 PolarHBondContact O-N 2.83Å; T197-M201 VanDerWaalsContact O-N 3.12Å; T197-R242 HydrophobicContact CG2-CG 4.32Å; T197-F245 HydrophobicContact CG2-CD1 4.01Å; T197-F245 HydrophobicContact CG2-CE1 4.3Å; T197-F264 HydrophobicContact CG2-CD1 3.9Å; T197-F264 HydrophobicContact CG2-CD2 4.05Å; T197-F264 HydrophobicContact CG2-CE1 3.88Å; T197-F264 HydrophobicContact CG2-CE2 4.03Å; T197-F264 HydrophobicContact CG2-CG 3.98Å; T197-F264 HydrophobicContact CG2-CZ 3.94Å |
| 198 | K | 93.8 | Very high | 91.3 | Very high | 90 Ų | 90 | 49 Ų | 49 | 39% | 0.391 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 173.4 | -75 | 177 | 175.2 | 162.4 | 0 | 111.9 | D194 I196 V200 M201 E202 | D194-K198 WeakPolarHBondContact O-CB 3.3Å; D194-K198 VanDerWaalsContact O-CG 3.29Å; D194-K198 WeakPolarHBondContact O-CG 3.37Å; D194-K198 PolarHBondContact O-N 3.47Å; D194-K198 WeakPolarHBondContact OD1-CE 3.5Å; D194-K198 IonicContact OD1-NZ 2.62Å; D194-K198 PolarHBondContact OD1-NZ 3.19Å; D194-K198 WeakPolarHBondContact OD2-CE 3.41Å; D194-K198 IonicContact OD2-NZ 3.45Å; D194-K198 PolarHBondContact OD2-NZ 3.07Å; I196-K198 PolarHBondContact O-N 2.99Å; K198-V200 PolarHBondContact O-N 3.2Å; K198-M201 PolarHBondContact O-N 2.69Å; K198-M201 VanDerWaalsContact O-N 3.15Å; K198-E202 WeakPolarHBondContact O-CB 3.17Å; K198-E202 WeakPolarHBondContact O-CG 3.34Å; K198-E202 PolarHBondContact O-N 3.45Å |
| 199 | M | 94.2 | Very high | 92 | Very high | 53 Ų | 53 | 52 Ų | 52 | 26% | 0.261 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -56.5 | -48.5 | -178.2 | -176.3 | 175 | 65.2 | 0 | 0 | 111.6 | R195 I196 M201 E202 T203 I220 M261 | R195-M199 WeakPolarHBondContact O-CB 3.26Å; R195-M199 PolarHBondContact O-N 3.33Å; I196-M199 PolarHBondContact O-N 3.46Å; M199-M201 PolarHBondContact O-N 3.19Å; M199-E202 PolarHBondContact O-N 2.94Å; M199-T203 WeakPolarHBondContact O-CB 3.32Å; M199-T203 PolarHBondContact O-N 3.12Å; M199-T203 PolarHBondContact O-OG1 2.62Å; M199-I220 HydrophobicContact CE-CG2 3.86Å; M199-I220 HydrophobicContact CG-CG2 4.49Å; M199-M261 HydrophobicContact CE-CE 3.11Å; M199-M261 HydrophobicContact CE-SD 4.48Å |
| 200 | V | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.9 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | I196 K198 T203 M204 I220 V227 M261 F264 V265 | I196-V200 WeakPolarHBondContact O-CG2 3.43Å; I196-V200 PolarHBondContact O-N 2.8Å; K198-V200 PolarHBondContact O-N 3.2Å; V200-T203 PolarHBondContact O-N 3.05Å; V200-M204 HydrophobicContact CG1-SD 4.32Å; V200-M204 WeakPolarHBondContact O-CG 3.21Å; V200-M204 PolarHBondContact O-N 2.73Å; V200-I220 HydrophobicContact CB-CD1 4.47Å; V200-I220 HydrophobicContact CG1-CD1 4.24Å; V200-I220 HydrophobicContact CG2-CD1 4.26Å; V200-I220 HydrophobicContact CG2-CG1 4.28Å; V200-I220 HydrophobicContact CG2-CG2 3.97Å; V200-V227 HydrophobicContact CG1-CG1 3.91Å; V200-M261 HydrophobicContact CG2-SD 3.77Å; V200-F264 HydrophobicContact CB-CD1 3.86Å; V200-F264 HydrophobicContact CB-CE1 3.8Å; V200-F264 HydrophobicContact CG1-CD1 3.98Å; V200-F264 HydrophobicContact CG1-CE1 3.85Å; V200-F264 HydrophobicContact CG2-CD1 4.05Å; V200-F264 HydrophobicContact CG2-CE1 4.48Å; V200-V265 HydrophobicContact CG2-CG2 4.39Å |
| 201 | M | 94.2 | Very high | 92.6 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 177.7 | -71.8 | 173.1 | 54.1 | 0 | 0 | 112.5 | T197 K198 M199 M204 L205 L238 R242 F264 | T197-M201 WeakPolarHBondContact O-CB 2.97Å; T197-M201 WeakPolarHBondContact O-CG 3.35Å; T197-M201 PolarHBondContact O-N 2.83Å; T197-M201 VanDerWaalsContact O-N 3.12Å; K198-M201 PolarHBondContact O-N 2.69Å; K198-M201 VanDerWaalsContact O-N 3.15Å; M199-M201 PolarHBondContact O-N 3.19Å; M201-M204 PolarHBondContact O-N 3.27Å; M201-L205 WeakPolarHBondContact O-CG 3.39Å; M201-L205 PolarHBondContact O-N 3.49Å; M201-L238 HydrophobicContact CB-CD1 4.31Å; M201-L238 HydrophobicContact CE-CB 3.85Å; M201-L238 HydrophobicContact CG-CB 4.06Å; M201-L238 HydrophobicContact SD-CB 4.47Å; M201-R242 HydrophobicContact SD-CB 3.66Å; M201-R242 WeakPolarHBondContact SD-CD 3.4Å; M201-R242 HydrophobicContact SD-CG 4.04Å; M201-F264 HydrophobicContact CG-CZ 4.49Å |
| 202 | E | 94.3 | Very high | 92.8 | Very high | 112 Ų | 112 | 52.8 Ų | 52.8 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 177.5 | -74.2 | 170.6 | -172.8 | 0 | 0 | 111.2 | K198 M199 M204 L205 N206 | K198-E202 WeakPolarHBondContact O-CB 3.17Å; K198-E202 WeakPolarHBondContact O-CG 3.34Å; K198-E202 PolarHBondContact O-N 3.45Å; M199-E202 PolarHBondContact O-N 2.94Å; E202-M204 VanDerWaalsContact C-N 3.3Å; E202-M204 PolarHBondContact O-N 3.01Å; E202-L205 PolarHBondContact O-N 3.25Å; E202-N206 WeakPolarHBondContact O-CB 3.19Å; E202-N206 VanDerWaalsContact O-CG 3.24Å; E202-N206 PolarHBondContact O-N 3.49Å; E202-N206 PolarHBondContact O-ND2 3.12Å |
| 203 | T | 94.3 | Very high | 92.8 | Very high | 31 Ų | 31 | 56.8 Ų | 56.8 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.3 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | M199 V200 A207 V218 P219 I220 | M199-T203 WeakPolarHBondContact O-CB 3.32Å; M199-T203 PolarHBondContact O-N 3.12Å; M199-T203 PolarHBondContact O-OG1 2.62Å; V200-T203 PolarHBondContact O-N 3.05Å; T203-A207 WeakPolarHBondContact O-CB 3.44Å; T203-A207 PolarHBondContact O-N 3.18Å; T203-V218 HydrophobicContact CG2-CG1 3.58Å; T203-P219 WeakPolarHBondContact CG2-O 3.48Å; T203-I220 HydrophobicContact CG2-CD1 3.66Å |
| 204 | M | 93.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.6 | -70 | 178.5 | 77.2 | 0 | 0 | 112.6 | V200 M201 E202 A207 V208 V227 P230 V233 L238 V268 | V200-M204 HydrophobicContact CG1-SD 4.32Å; V200-M204 WeakPolarHBondContact O-CG 3.21Å; V200-M204 PolarHBondContact O-N 2.73Å; M201-M204 PolarHBondContact O-N 3.27Å; E202-M204 VanDerWaalsContact C-N 3.3Å; E202-M204 PolarHBondContact O-N 3.01Å; M204-A207 PolarHBondContact O-N 2.94Å; M204-V208 WeakPolarHBondContact O-CG2 3.37Å; M204-V208 PolarHBondContact O-N 3.25Å; M204-V208 VanDerWaalsContact O-N 3.14Å; M204-V227 HydrophobicContact CG-CG2 3.65Å; M204-V227 HydrophobicContact SD-CB 4.48Å; M204-V227 HydrophobicContact SD-CG2 4.22Å; M204-P230 VanDerWaalsContact CE-CD 3.49Å; M204-P230 HydrophobicContact CE-CG 4.07Å; M204-V233 HydrophobicContact CE-CG2 4.24Å; M204-L238 HydrophobicContact CB-CD1 4.21Å; M204-L238 HydrophobicContact CE-CD2 3.88Å; M204-L238 HydrophobicContact SD-CD2 3.68Å; M204-V268 HydrophobicContact CE-CG1 3.84Å; M204-V268 HydrophobicContact SD-CG1 3.73Å |
| 205 | L | 93 | Very high | 92.5 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 26% | 0.262 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -39.9 | 178.6 | -72.4 | 171.9 | 0 | 0 | 0 | 112 | M201 E202 V208 N209 A235 L238 | M201-L205 WeakPolarHBondContact O-CG 3.39Å; M201-L205 PolarHBondContact O-N 3.49Å; E202-L205 PolarHBondContact O-N 3.25Å; L205-V208 PolarHBondContact O-N 3.41Å; L205-N209 VanDerWaalsContact O-CG 3.31Å; L205-N209 PolarHBondContact O-N 2.65Å; L205-N209 VanDerWaalsContact O-N 3.1Å; L205-N209 PolarHBondContact O-ND2 3.34Å; L205-A235 HydrophobicContact CD1-CB 4.35Å; L205-A235 HydrophobicContact CD2-CB 4.4Å; L205-L238 HydrophobicContact CD1-CD1 4.27Å; L205-L238 HydrophobicContact CD2-CD1 3.86Å; L205-L238 HydrophobicContact CG-CD1 3.68Å |
| 206 | N | 93.5 | Very high | 92.5 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65 | -43.5 | 175.9 | -69 | -16.3 | 0 | 0 | 0 | 111.2 | E202 V208 N209 D210 | E202-N206 WeakPolarHBondContact O-CB 3.19Å; E202-N206 VanDerWaalsContact O-CG 3.24Å; E202-N206 PolarHBondContact O-N 3.49Å; E202-N206 PolarHBondContact O-ND2 3.12Å; N206-V208 VanDerWaalsContact C-N 3.28Å; N206-V208 PolarHBondContact O-N 2.92Å; N206-N209 CarbonylContact O-C 3.5Å; N206-N209 WeakPolarHBondContact O-CA 3.35Å; N206-N209 WeakPolarHBondContact O-CB 3.11Å; N206-N209 PolarHBondContact O-N 3.22Å; N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 VanDerWaalsContact O-CG 3.28Å; N206-D210 PolarHBondContact O-N 3.35Å |
| 207 | A | 93 | Very high | 92.5 | Very high | 5 Ų | 5 | 66.3 Ų | 66.3 | 4% | 0.041 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.6 | -38.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T203 M204 D210 G211 V212 V218 | T203-A207 WeakPolarHBondContact O-CB 3.44Å; T203-A207 PolarHBondContact O-N 3.18Å; M204-A207 PolarHBondContact O-N 2.94Å; A207-D210 PolarHBondContact O-N 3Å; A207-G211 PolarHBondContact O-N 3.35Å; A207-V212 HydrophobicContact CB-CB 4.11Å; A207-V212 HydrophobicContact CB-CG2 3.93Å; A207-V212 VanDerWaalsContact O-CB 3.26Å; A207-V212 WeakPolarHBondContact O-CB 3.42Å; A207-V212 WeakPolarHBondContact O-CG2 3.37Å; A207-V212 PolarHBondContact O-N 3.16Å; A207-V218 HydrophobicContact CB-CB 4.37Å; A207-V218 HydrophobicContact CB-CG1 3.78Å; A207-V218 HydrophobicContact CB-CG2 3.65Å |
| 208 | V | 91.4 | Very high | 92.4 | Very high | 60 Ų | 60 | 67 Ų | 67 | 36% | 0.364 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | M204 L205 N206 D210 G211 L229 V233 | M204-V208 WeakPolarHBondContact O-CG2 3.37Å; M204-V208 PolarHBondContact O-N 3.25Å; M204-V208 VanDerWaalsContact O-N 3.14Å; L205-V208 PolarHBondContact O-N 3.41Å; N206-V208 VanDerWaalsContact C-N 3.28Å; N206-V208 PolarHBondContact O-N 2.92Å; V208-D210 VanDerWaalsContact C-N 3.31Å; V208-D210 PolarHBondContact O-N 2.83Å; V208-G211 PolarHBondContact O-N 2.96Å; V208-L229 HydrophobicContact CG2-CD1 3.9Å; V208-L229 HydrophobicContact CG2-CD2 4.19Å; V208-L229 HydrophobicContact CG2-CG 4.49Å; V208-V233 HydrophobicContact CG2-CB 4.02Å; V208-V233 HydrophobicContact CG2-CG1 4.38Å |
| 209 | N | 91 | Very high | 92.4 | Very high | 128 Ų | 128 | 66.8 Ų | 66.8 | 68% | 0.684 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.9 | -32.6 | 179.3 | -67.9 | -29 | 0 | 0 | 0 | 112.6 | L205 N206 G211 | L205-N209 VanDerWaalsContact O-CG 3.31Å; L205-N209 PolarHBondContact O-N 2.65Å; L205-N209 VanDerWaalsContact O-N 3.1Å; L205-N209 PolarHBondContact O-ND2 3.34Å; N206-N209 CarbonylContact O-C 3.5Å; N206-N209 WeakPolarHBondContact O-CA 3.35Å; N206-N209 WeakPolarHBondContact O-CB 3.11Å; N206-N209 PolarHBondContact O-N 3.22Å; N209-G211 PolarHBondContact O-N 2.86Å |
| 210 | D | 92.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 64.3 Ų | 64.3 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -0.1 | 177.6 | -65.2 | -24.7 | 0 | 0 | 0 | 112.9 | N206 A207 V208 | N206-D210 WeakPolarHBondContact O-CB 3.4Å; N206-D210 VanDerWaalsContact O-CG 3.28Å; N206-D210 PolarHBondContact O-N 3.35Å; A207-D210 PolarHBondContact O-N 3Å; V208-D210 VanDerWaalsContact C-N 3.31Å; V208-D210 PolarHBondContact O-N 2.83Å |
| 211 | G | 90 | Very high | 91.9 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 50% | 0.495 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 20.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A207 V208 N209 | A207-G211 PolarHBondContact O-N 3.35Å; V208-G211 PolarHBondContact O-N 2.96Å; N209-G211 PolarHBondContact O-N 2.86Å |
| 212 | V | 91.1 | Very high | 91.4 | Very high | 52 Ų | 52 | 74.5 Ų | 74.5 | 32% | 0.315 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 137.1 | 173.3 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | A207 D216 V218 L229 | A207-V212 HydrophobicContact CB-CB 4.11Å; A207-V212 HydrophobicContact CB-CG2 3.93Å; A207-V212 VanDerWaalsContact O-CB 3.26Å; A207-V212 WeakPolarHBondContact O-CB 3.42Å; A207-V212 WeakPolarHBondContact O-CG2 3.37Å; A207-V212 PolarHBondContact O-N 3.16Å; V212-D216 HydrophobicContact CG1-CB 3.58Å; V212-V218 HydrophobicContact CG1-CG2 4.11Å; V212-L229 HydrophobicContact CB-CD2 4.05Å; V212-L229 HydrophobicContact CG1-CD2 3.96Å; V212-L229 WeakPolarHBondContact O-CD2 3.37Å |
| 213 | H | 89.7 | Confident | 91 | Very high | 133 Ų | 133 | 71.3 Ų | 71.3 | 62% | 0.616 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -82 | 148.1 | -174.7 | -67.4 | -64.9 | 0 | 0 | 0 | 112 | G215 D216 | H213-G215 PolarHBondContact O-N 2.82Å; H213-D216 PolarHBondContact N-OD2 3.11Å; H213-D216 VanDerWaalsContact O-CB 3.29Å; H213-D216 WeakPolarHBondContact O-CB 3.18Å; H213-D216 PolarHBondContact O-N 3.44Å; H213-D216 VanDerWaalsContact O-N 3.12Å |
| 214 | P | 89.5 | Confident | 90.8 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.4 | 168 | -30 | 37.7 | 0 | 0 | 0 | 112.6 | D216 L229 E231 | P214-D216 VanDerWaalsContact C-N 3.34Å; P214-L229 WeakPolarHBondContact CA-O 3.11Å; P214-E231 HydrophobicContact CB-CB 4.39Å |
| 215 | G | 89.7 | Confident | 90.8 | Very high | 49 Ų | 49 | 79.6 Ų | 79.6 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.2 | -16.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H213 L229 | H213-G215 PolarHBondContact O-N 2.82Å; G215-L229 PolarHBondContact N-O 2.93Å |
| 216 | D | 92.2 | Very high | 90.8 | Very high | 75 Ų | 75 | 78.9 Ų | 78.9 | 40% | 0.401 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 150.3 | 175.7 | -70.1 | -20 | 0 | 0 | 0 | 111.3 | V212 H213 P214 L229 | V212-D216 HydrophobicContact CG1-CB 3.58Å; H213-D216 PolarHBondContact N-OD2 3.11Å; H213-D216 VanDerWaalsContact O-CB 3.29Å; H213-D216 WeakPolarHBondContact O-CB 3.18Å; H213-D216 PolarHBondContact O-N 3.44Å; H213-D216 VanDerWaalsContact O-N 3.12Å; P214-D216 VanDerWaalsContact C-N 3.34Å; D216-L229 PolarHBondContact O-N 3.44Å |
| 217 | R | 92.4 | Very high | 90.7 | Very high | 189 Ų | 189 | 74.5 Ų | 74.5 | 71% | 0.713 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.3 | 175.1 | -71.3 | -172.2 | 177.4 | -164.8 | -0.3 | 110.2 | V227 V228 | R217-V227 WeakPolarHBondContact CA-O 3.47Å; R217-V228 HydrophobicContact CG-CG2 4.32Å |
| 218 | V | 92.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 77.1 Ų | 77.1 | 8% | 0.079 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.1 | 176 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | T203 A207 V212 S226 V227 L229 | T203-V218 HydrophobicContact CG2-CG1 3.58Å; A207-V218 HydrophobicContact CB-CB 4.37Å; A207-V218 HydrophobicContact CB-CG1 3.78Å; A207-V218 HydrophobicContact CB-CG2 3.65Å; V212-V218 HydrophobicContact CG1-CG2 4.11Å; V218-S226 CarbonylContact O-C 3.53Å; V218-S226 WeakPolarHBondContact O-CA 3.41Å; V218-S226 WeakPolarHBondContact O-CB 3.34Å; V218-V227 HydrophobicContact CB-CG2 3.96Å; V218-V227 PolarHBondContact N-O 2.94Å; V218-V227 PolarHBondContact O-N 3.02Å; V218-L229 HydrophobicContact CG2-CB 4.3Å |
| 219 | P | 93.6 | Very high | 90.7 | Very high | 86 Ų | 86 | 74.5 Ų | 74.5 | 56% | 0.558 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 141.5 | 176.7 | 29.1 | -33.5 | 0 | 0 | 0 | 111 | T203 | T203-P219 WeakPolarHBondContact CG2-O 3.48Å |
| 220 | I | 92.1 | Very high | 90.7 | Very high | 1 Ų | 1 | 69.3 Ų | 69.3 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | trans | -95.8 | 96.5 | 177.5 | -54.2 | -56.7 | 0 | 0 | 0 | 109.5 | M199 V200 T203 S223 Y225 V227 M261 V265 | M199-I220 HydrophobicContact CE-CG2 3.86Å; M199-I220 HydrophobicContact CG-CG2 4.49Å; V200-I220 HydrophobicContact CB-CD1 4.47Å; V200-I220 HydrophobicContact CG1-CD1 4.24Å; V200-I220 HydrophobicContact CG2-CD1 4.26Å; V200-I220 HydrophobicContact CG2-CG1 4.28Å; V200-I220 HydrophobicContact CG2-CG2 3.97Å; T203-I220 HydrophobicContact CG2-CD1 3.66Å; I220-S223 VanDerWaalsContact O-CB 3.32Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.22Å; I220-S223 VanDerWaalsContact O-N 3.13Å; I220-S223 PolarHBondContact O-OG 3.41Å; I220-Y225 PolarHBondContact N-O 3.1Å; I220-V227 HydrophobicContact CD1-CG1 4.07Å; I220-V227 HydrophobicContact CD1-CG2 3.8Å; I220-V227 HydrophobicContact CG1-CG1 4.35Å; I220-M261 HydrophobicContact CG2-CE 4.26Å; I220-M261 HydrophobicContact CG2-SD 4.1Å; I220-V265 HydrophobicContact CG1-CG2 4.48Å | ||
| 221 | G | 85.9 | Confident | 90.3 | Very high | 54 Ų | 54 | 70.1 Ų | 70.1 | 56% | 0.557 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | -139 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S223 | G221-S223 VanDerWaalsContact C-N 3.27Å; G221-S223 PolarHBondContact O-N 3.39Å |
| 222 | D | 83.5 | Confident | 90 | Very high | 181 Ų | 181 | 74.9 Ų | 74.9 | 97% | 0.968 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 14.8 | 176 | -59.7 | -37.7 | 0 | 0 | 0 | 113.4 | ||
| 223 | S | 86.3 | Confident | 89.9 | Confident | 44 Ų | 44 | 73.3 Ų | 73.3 | 31% | 0.308 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -82.3 | 163.3 | -178.2 | 79.8 | 0 | 0 | 0 | 0 | 112.3 | I220 G221 Y225 | I220-S223 VanDerWaalsContact O-CB 3.32Å; I220-S223 WeakPolarHBondContact O-CB 3.47Å; I220-S223 PolarHBondContact O-N 3.22Å; I220-S223 VanDerWaalsContact O-N 3.13Å; I220-S223 PolarHBondContact O-OG 3.41Å; G221-S223 VanDerWaalsContact C-N 3.27Å; G221-S223 PolarHBondContact O-N 3.39Å; S223-Y225 PolarHBondContact O-N 2.66Å; S223-Y225 PolarHBondContact OG-N 3.19Å |
| 224 | S | 90.7 | Very high | 89.9 | Confident | 115 Ų | 115 | 70.4 Ų | 70.4 | 80% | 0.804 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -74 | 0 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | ||
| 225 | Y | 92.8 | Very high | 90 | Very high | 90 Ų | 90 | 69.6 Ų | 69.6 | 35% | 0.353 | 40% | 0.401 | S | S | . | . | trans | -97.6 | 146.1 | -174.9 | -61.3 | -79.6 | 0 | 0 | 0 | 112.2 | I220 S223 M261 | I220-Y225 PolarHBondContact N-O 3.1Å; S223-Y225 PolarHBondContact O-N 2.66Å; S223-Y225 PolarHBondContact OG-N 3.19Å; Y225-M261 HydrophobicContact CD2-CB 4.11Å; Y225-M261 HydrophobicContact CD2-CG 3.28Å; Y225-M261 HydrophobicContact CE2-CB 3.98Å; Y225-M261 HydrophobicContact CE2-CG 3.67Å; Y225-M261 HydrophobicContact CG-CG 3.83Å | ||
| 226 | S | 92.6 | Very high | 90.1 | Very high | 35 Ų | 35 | 75 Ų | 75 | 25% | 0.245 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 146.7 | 172.2 | 53.9 | 0 | 0 | 0 | 0 | 110.4 | V218 V265 | V218-S226 CarbonylContact O-C 3.53Å; V218-S226 WeakPolarHBondContact O-CA 3.41Å; V218-S226 WeakPolarHBondContact O-CB 3.34Å; S226-V265 WeakPolarHBondContact O-CG1 3.22Å |
| 227 | V | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 142.5 | 173.4 | -68.2 | 0 | 0 | 0 | 0 | 109.2 | V200 M204 R217 V218 I220 V265 | V200-V227 HydrophobicContact CG1-CG1 3.91Å; M204-V227 HydrophobicContact CG-CG2 3.65Å; M204-V227 HydrophobicContact SD-CB 4.48Å; M204-V227 HydrophobicContact SD-CG2 4.22Å; R217-V227 WeakPolarHBondContact CA-O 3.47Å; V218-V227 HydrophobicContact CB-CG2 3.96Å; V218-V227 PolarHBondContact N-O 2.94Å; V218-V227 PolarHBondContact O-N 3.02Å; I220-V227 HydrophobicContact CD1-CG1 4.07Å; I220-V227 HydrophobicContact CD1-CG2 3.8Å; I220-V227 HydrophobicContact CG1-CG1 4.35Å; V227-V265 HydrophobicContact CG1-CB 4.34Å; V227-V265 HydrophobicContact CG1-CG1 3.99Å; V227-V265 HydrophobicContact CG1-CG2 3.97Å |
| 228 | V | 92.5 | Very high | 90.1 | Very high | 59 Ų | 59 | 63.9 Ų | 63.9 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 123.3 | 171.4 | -179.8 | 0 | 0 | 0 | 0 | 107.2 | R217 P230 N269 | R217-V228 HydrophobicContact CG-CG2 4.32Å; V228-P230 WeakPolarHBondContact O-CD 3.47Å; V228-N269 PolarHBondContact N-OD1 3.18Å |
| 229 | L | 91.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 67.1 Ų | 67.1 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 117.9 | -176.7 | -167.3 | 67.5 | 0 | 0 | 0 | 110.6 | V208 V212 P214 G215 D216 V218 V233 | V208-L229 HydrophobicContact CG2-CD1 3.9Å; V208-L229 HydrophobicContact CG2-CD2 4.19Å; V208-L229 HydrophobicContact CG2-CG 4.49Å; V212-L229 HydrophobicContact CB-CD2 4.05Å; V212-L229 HydrophobicContact CG1-CD2 3.96Å; V212-L229 WeakPolarHBondContact O-CD2 3.37Å; P214-L229 WeakPolarHBondContact CA-O 3.11Å; G215-L229 PolarHBondContact N-O 2.93Å; D216-L229 PolarHBondContact O-N 3.44Å; V218-L229 HydrophobicContact CG2-CB 4.3Å; L229-V233 HydrophobicContact CD1-CG2 4.02Å |
| 230 | P | 89.6 | Confident | 90.1 | Very high | 19 Ų | 19 | 65 Ų | 65 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 161.1 | 175.2 | -22.3 | 32.8 | 0 | 0 | 0 | 113.9 | M204 V228 H232 V233 F272 | M204-P230 VanDerWaalsContact CE-CD 3.49Å; M204-P230 HydrophobicContact CE-CG 4.07Å; V228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-H232 VanDerWaalsContact C-N 3.31Å; P230-H232 PolarHBondContact O-N 3.17Å; P230-V233 HydrophobicContact CB-CG2 3.76Å; P230-V233 VanDerWaalsContact CD-CG2 3.4Å; P230-V233 HydrophobicContact CG-CG2 3.75Å; P230-F272 HydrophobicContact CB-CB 3.67Å; P230-F272 HydrophobicContact CB-CD1 4.17Å; P230-F272 HydrophobicContact CB-CD2 4.45Å; P230-F272 HydrophobicContact CB-CG 3.88Å; P230-F272 HydrophobicContact CG-CB 3.51Å; P230-F272 HydrophobicContact CG-CD1 4.12Å; P230-F272 HydrophobicContact CG-CD2 3.56Å; P230-F272 HydrophobicContact CG-CE2 4.26Å; P230-F272 HydrophobicContact CG-CG 3.48Å; P230-F272 VanDerWaalsContact CG-CG 3.48Å |
| 231 | E | 85.4 | Confident | 90.2 | Very high | 152 Ų | 152 | 65.2 Ų | 65.2 | 71% | 0.71 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -61.9 | -35.8 | 176.5 | -164.4 | 174.3 | -169 | 0 | 0 | 113.2 | P214 | P214-E231 HydrophobicContact CB-CB 4.39Š|
| 232 | H | 83.7 | Confident | 90.6 | Very high | 147 Ų | 147 | 65.3 Ų | 65.3 | 68% | 0.681 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -130.4 | 93.1 | -179.8 | -62.7 | -40.1 | 0 | 0 | 0 | 111.6 | P230 | P230-H232 VanDerWaalsContact C-N 3.31Å; P230-H232 PolarHBondContact O-N 3.17Å |
| 233 | V | 87.7 | Confident | 91.1 | Very high | 19 Ų | 19 | 64.5 Ų | 64.5 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | trans | -104.8 | 124 | 174.4 | -176.4 | 0 | 0 | 0 | 0 | 109.8 | M204 V208 L229 P230 L238 | M204-V233 HydrophobicContact CE-CG2 4.24Å; V208-V233 HydrophobicContact CG2-CB 4.02Å; V208-V233 HydrophobicContact CG2-CG1 4.38Å; L229-V233 HydrophobicContact CD1-CG2 4.02Å; P230-V233 HydrophobicContact CB-CG2 3.76Å; P230-V233 VanDerWaalsContact CD-CG2 3.4Å; P230-V233 HydrophobicContact CG-CG2 3.75Å; V233-L238 HydrophobicContact CG1-CD1 3.62Å; V233-L238 HydrophobicContact CG1-CD2 4.1Å; V233-L238 HydrophobicContact CG1-CG 3.78Å | ||
| 234 | T | 90 | Very high | 91.4 | Very high | 72 Ų | 72 | 67 Ų | 67 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | trans | -129.3 | 157.2 | 171.5 | 64.2 | 0 | 0 | 0 | 0 | 109.3 | Q236 S237 L238 | T234-Q236 PolarHBondContact O-N 3.44Å; T234-Q236 VanDerWaalsContact O-N 3.14Å; T234-S237 PolarHBondContact N-OG 3.37Å; T234-S237 PolarHBondContact O-N 3.04Å; T234-S237 VanDerWaalsContact O-N 3.14Å; T234-S237 PolarHBondContact O-OG 2.92Å; T234-S237 VanDerWaalsContact O-OG 3.05Å; T234-S237 WeakPolarHBondContact OG1-CB 3.06Å; T234-S237 PolarHBondContact OG1-N 3.02Å; T234-S237 PolarHBondContact OG1-OG 3.32Å; T234-L238 PolarHBondContact O-N 2.71Å | ||
| 235 | A | 91.6 | Very high | 91.6 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 47% | 0.471 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.5 | -32.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | L205 T239 | L205-A235 HydrophobicContact CD1-CB 4.35Å; L205-A235 HydrophobicContact CD2-CB 4.4Å; A235-T239 WeakPolarHBondContact O-CB 3.41Å; A235-T239 PolarHBondContact O-N 2.78Å; A235-T239 VanDerWaalsContact O-N 3.07Å; A235-T239 PolarHBondContact O-OG1 3.2Å |
| 236 | Q | 92.2 | Very high | 91.6 | Very high | 163 Ų | 163 | 58.7 Ų | 58.7 | 76% | 0.762 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -71.3 | -44.4 | 177.4 | -170.6 | 178.8 | 16.1 | 0 | 0 | 112.4 | T234 T239 S240 | T234-Q236 PolarHBondContact O-N 3.44Å; T234-Q236 VanDerWaalsContact O-N 3.14Å; Q236-T239 PolarHBondContact O-N 3.1Å; Q236-S240 PolarHBondContact O-N 3.03Å |
| 237 | S | 91.8 | Very high | 91.4 | Very high | 28 Ų | 28 | 60.7 Ų | 60.7 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 179.6 | 69 | 0 | 0 | 0 | 0 | 111.3 | T234 T239 S240 V241 | T234-S237 PolarHBondContact N-OG 3.37Å; T234-S237 PolarHBondContact O-N 3.04Å; T234-S237 VanDerWaalsContact O-N 3.14Å; T234-S237 PolarHBondContact O-OG 2.92Å; T234-S237 VanDerWaalsContact O-OG 3.05Å; T234-S237 WeakPolarHBondContact OG1-CB 3.06Å; T234-S237 PolarHBondContact OG1-N 3.02Å; T234-S237 PolarHBondContact OG1-OG 3.32Å; S237-T239 PolarHBondContact O-N 3.23Å; S237-S240 WeakPolarHBondContact O-CB 3.38Å; S237-S240 PolarHBondContact O-N 3Å; S237-S240 VanDerWaalsContact O-N 3.17Å; S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 3.21Å |
| 238 | L | 93.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 65.9 Ų | 65.9 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 174.4 | -70.5 | 176.2 | 0 | 0 | 0 | 112.6 | M201 M204 L205 V233 T234 S240 V241 R242 F272 | M201-L238 HydrophobicContact CB-CD1 4.31Å; M201-L238 HydrophobicContact CE-CB 3.85Å; M201-L238 HydrophobicContact CG-CB 4.06Å; M201-L238 HydrophobicContact SD-CB 4.47Å; M204-L238 HydrophobicContact CB-CD1 4.21Å; M204-L238 HydrophobicContact CE-CD2 3.88Å; M204-L238 HydrophobicContact SD-CD2 3.68Å; L205-L238 HydrophobicContact CD1-CD1 4.27Å; L205-L238 HydrophobicContact CD2-CD1 3.86Å; L205-L238 HydrophobicContact CG-CD1 3.68Å; V233-L238 HydrophobicContact CG1-CD1 3.62Å; V233-L238 HydrophobicContact CG1-CD2 4.1Å; V233-L238 HydrophobicContact CG1-CG 3.78Å; T234-L238 PolarHBondContact O-N 2.71Å; L238-S240 VanDerWaalsContact C-N 3.29Å; L238-S240 PolarHBondContact O-N 3.45Å; L238-V241 PolarHBondContact O-N 2.92Å; L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.21Å; L238-F272 HydrophobicContact CD2-CE2 4.06Å; L238-F272 HydrophobicContact CD2-CZ 4.01Å |
| 239 | T | 93.3 | Very high | 91.2 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 50% | 0.497 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 175.1 | -59.5 | 0 | 0 | 0 | 0 | 111.7 | A235 Q236 S237 R243 | A235-T239 WeakPolarHBondContact O-CB 3.41Å; A235-T239 PolarHBondContact O-N 2.78Å; A235-T239 VanDerWaalsContact O-N 3.07Å; A235-T239 PolarHBondContact O-OG1 3.2Å; Q236-T239 PolarHBondContact O-N 3.1Å; S237-T239 PolarHBondContact O-N 3.23Å; T239-R243 WeakPolarHBondContact O-CB 3.39Å; T239-R243 PolarHBondContact O-N 3.39Å |
| 240 | S | 93 | Very high | 90.8 | Very high | 40 Ų | 40 | 71.2 Ų | 71.2 | 28% | 0.28 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -48.6 | 175.2 | -172 | 0 | 0 | 0 | 0 | 111.8 | Q236 S237 L238 R242 R243 Q244 | Q236-S240 PolarHBondContact O-N 3.03Å; S237-S240 WeakPolarHBondContact O-CB 3.38Å; S237-S240 PolarHBondContact O-N 3Å; S237-S240 VanDerWaalsContact O-N 3.17Å; L238-S240 VanDerWaalsContact C-N 3.29Å; L238-S240 PolarHBondContact O-N 3.45Å; S240-R242 PolarHBondContact O-N 3.49Å; S240-R243 WeakPolarHBondContact O-CB 3.49Å; S240-R243 PolarHBondContact O-N 2.92Å; S240-Q244 WeakPolarHBondContact O-CG 3.34Å; S240-Q244 PolarHBondContact O-N 3.42Å |
| 241 | V | 93.8 | Very high | 90.5 | Very high | 7 Ų | 7 | 77 Ų | 77 | 4% | 0.042 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 177.7 | 170.4 | 0 | 0 | 0 | 0 | 111 | S237 L238 R243 Q244 F245 F267 V268 F272 | S237-V241 WeakPolarHBondContact O-CG2 3.41Å; S237-V241 PolarHBondContact O-N 3.21Å; L238-V241 PolarHBondContact O-N 2.92Å; V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 PolarHBondContact O-N 3.2Å; V241-Q244 WeakPolarHBondContact O-CB 3.2Å; V241-Q244 PolarHBondContact O-N 2.93Å; V241-Q244 VanDerWaalsContact O-N 3.14Å; V241-F245 PolarHBondContact O-N 3.27Å; V241-F267 HydrophobicContact CG1-CD1 3.85Å; V241-F267 HydrophobicContact CG1-CE1 3.9Å; V241-V268 HydrophobicContact CG1-CG2 3.99Å; V241-F272 HydrophobicContact CB-CE2 4.38Å; V241-F272 HydrophobicContact CB-CZ 4.44Å; V241-F272 HydrophobicContact CG1-CE2 4.45Å; V241-F272 HydrophobicContact CG2-CD2 4.46Å; V241-F272 HydrophobicContact CG2-CE1 4.26Å; V241-F272 HydrophobicContact CG2-CE2 3.7Å; V241-F272 HydrophobicContact CG2-CZ 3.58Å |
| 242 | R | 94.6 | Very high | 90.4 | Very high | 56 Ų | 56 | 72.4 Ų | 72.4 | 21% | 0.211 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.2 | -46.1 | 174 | 175.6 | -178.4 | 158.3 | 160.6 | 3.8 | 112 | D194 T197 M201 L238 S240 Q244 F245 V246 F264 | D194-R242 IonicContact OD1-CZ 3.69Å; D194-R242 IonicContact OD1-NH1 2.85Å; D194-R242 IonicContact OD1-NH2 3.68Å; D194-R242 PolarHBondContact OD1-NH2 2.83Å; T197-R242 HydrophobicContact CG2-CG 4.32Å; M201-R242 HydrophobicContact SD-CB 3.66Å; M201-R242 WeakPolarHBondContact SD-CD 3.4Å; M201-R242 HydrophobicContact SD-CG 4.04Å; L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.21Å; S240-R242 PolarHBondContact O-N 3.49Å; R242-Q244 VanDerWaalsContact C-N 3.31Å; R242-Q244 PolarHBondContact O-N 3.44Å; R242-F245 PolarHBondContact O-N 2.68Å; R242-V246 HydrophobicContact CG-CG2 4.38Å; R242-V246 WeakPolarHBondContact O-CG2 3.4Å; R242-V246 PolarHBondContact O-N 2.89Å; R242-F264 HydrophobicContact CB-CZ 4.36Å |
| 243 | R | 93.1 | Very high | 90.1 | Very high | 164 Ų | 164 | 68.3 Ų | 68.3 | 62% | 0.619 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 177.8 | -177.6 | 177.6 | 62.7 | -173.4 | -1.9 | 111.7 | T239 S240 V241 N247 | T239-R243 WeakPolarHBondContact O-CB 3.39Å; T239-R243 PolarHBondContact O-N 3.39Å; S240-R243 WeakPolarHBondContact O-CB 3.49Å; S240-R243 PolarHBondContact O-N 2.92Å; V241-R243 VanDerWaalsContact C-N 3.33Å; V241-R243 PolarHBondContact O-N 3.2Å; R243-N247 PolarHBondContact O-N 3.27Å; R243-N247 VanDerWaalsContact O-N 3.09Å; R243-N247 PolarHBondContact O-ND2 3.49Å |
| 244 | Q | 93.9 | Very high | 89.8 | Confident | 97 Ų | 97 | 68.5 Ų | 68.5 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 176.1 | -66.4 | 175.3 | 44 | 0 | 0 | 111.4 | S240 V241 R242 N247 Y248 F267 | S240-Q244 WeakPolarHBondContact O-CG 3.34Å; S240-Q244 PolarHBondContact O-N 3.42Å; V241-Q244 WeakPolarHBondContact O-CB 3.2Å; V241-Q244 PolarHBondContact O-N 2.93Å; V241-Q244 VanDerWaalsContact O-N 3.14Å; R242-Q244 VanDerWaalsContact C-N 3.31Å; R242-Q244 PolarHBondContact O-N 3.44Å; Q244-N247 PolarHBondContact O-N 2.88Å; Q244-Y248 PolarHBondContact O-N 2.91Å; Q244-F267 HydrophobicContact CB-CE1 4.02Å; Q244-F267 HydrophobicContact CB-CZ 3.8Å |
| 245 | F | 94.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 176.7 | -177.3 | -111.2 | 0 | 0 | 0 | 112.7 | L193 T197 V241 R242 N247 Y248 V249 L263 F264 F267 | L193-F245 HydrophobicContact CD1-CD1 4Å; L193-F245 HydrophobicContact CD1-CE1 3.57Å; T197-F245 HydrophobicContact CG2-CD1 4.01Å; T197-F245 HydrophobicContact CG2-CE1 4.3Å; V241-F245 PolarHBondContact O-N 3.27Å; R242-F245 PolarHBondContact O-N 2.68Å; F245-N247 VanDerWaalsContact C-N 3.26Å; F245-N247 PolarHBondContact O-N 2.95Å; F245-Y248 WeakPolarHBondContact O-CB 3.31Å; F245-Y248 PolarHBondContact O-N 3.14Å; F245-V249 HydrophobicContact CD1-CG2 4.22Å; F245-V249 HydrophobicContact CD2-CG2 4.33Å; F245-V249 HydrophobicContact CE1-CG2 3.81Å; F245-V249 HydrophobicContact CE2-CG2 3.93Å; F245-V249 HydrophobicContact CG-CG2 4.48Å; F245-V249 HydrophobicContact CZ-CG2 3.65Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 2.93Å; F245-L263 HydrophobicContact CE2-CB 4.07Å; F245-L263 HydrophobicContact CZ-CB 4Å; F245-F264 HydrophobicContact CB-CD2 3.83Å; F245-F264 HydrophobicContact CB-CE2 3.83Å; F245-F264 HydrophobicContact CD1-CB 4.23Å; F245-F264 AromaticContact CD1-CD2 3.32Å; F245-F264 HydrophobicContact CD1-CD2 3.32Å; F245-F264 AromaticContact CD1-CE2 3.95Å; F245-F264 HydrophobicContact CD1-CE2 3.95Å; F245-F264 HydrophobicContact CD1-CG 4.04Å; F245-F264 AromaticContact CD2-CD2 3.92Å; F245-F264 HydrophobicContact CD2-CD2 3.92Å; F245-F264 HydrophobicContact CE1-CB 3.71Å; F245-F264 AromaticContact CE1-CD2 3.74Å; F245-F264 HydrophobicContact CE1-CD2 3.74Å; F245-F264 HydrophobicContact CE1-CG 4.02Å; F245-F264 HydrophobicContact CE2-CB 4.25Å; F245-F264 HydrophobicContact CE2-CD2 4.29Å; F245-F264 AromaticContact CG-CD2 3.41Å; F245-F264 HydrophobicContact CG-CD2 3.41Å; F245-F264 VanDerWaalsContact CG-CD2 3.41Å; F245-F264 AromaticContact CG-CE2 3.94Å; F245-F264 HydrophobicContact CG-CE2 3.94Å; F245-F264 HydrophobicContact CG-CG 4.44Å; F245-F264 HydrophobicContact CZ-CB 3.72Å; F245-F264 HydrophobicContact CZ-CD2 4.2Å; F245-F264 HydrophobicContact CZ-CG 4.41Å; F245-F267 HydrophobicContact CB-CD1 3.78Å; F245-F267 HydrophobicContact CB-CE1 3.84Å; F245-F267 HydrophobicContact CB-CG 4.23Å; F245-F267 HydrophobicContact CB-CZ 4.33Å; F245-F267 HydrophobicContact CD2-CB 3.74Å; F245-F267 HydrophobicContact CD2-CD1 4.02Å; F245-F267 AromaticContact CD2-CD2 3.83Å; F245-F267 HydrophobicContact CD2-CD2 3.83Å; F245-F267 HydrophobicContact CD2-CE2 4.46Å; F245-F267 AromaticContact CD2-CG 3.59Å; F245-F267 HydrophobicContact CD2-CG 3.59Å; F245-F267 HydrophobicContact CE2-CB 4.13Å; F245-F267 HydrophobicContact CE2-CG 4.41Å; F245-F267 HydrophobicContact CG-CD1 4.32Å; F245-F267 HydrophobicContact CG-CG 4.33Å |
| 246 | V | 91.9 | Very high | 88.6 | Confident | 27 Ų | 27 | 73.8 Ų | 73.8 | 16% | 0.164 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.2 | -40 | 176.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L193 R242 R250 | L193-V246 HydrophobicContact CD2-CG2 4.23Å; R242-V246 HydrophobicContact CG-CG2 4.38Å; R242-V246 WeakPolarHBondContact O-CG2 3.4Å; R242-V246 PolarHBondContact O-N 2.89Å; V246-R250 VanDerWaalsContact O-CG 3.27Å; V246-R250 WeakPolarHBondContact O-CG 3.41Å; V246-R250 PolarHBondContact O-N 3.33Å; V246-R250 VanDerWaalsContact O-N 3.11Å |
| 247 | N | 89.7 | Confident | 88.2 | Confident | 78 Ų | 78 | 66.4 Ų | 66.4 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 174.3 | -74.3 | -19.8 | 0 | 0 | 0 | 112.4 | R243 Q244 F245 R250 L251 | R243-N247 PolarHBondContact O-N 3.27Å; R243-N247 VanDerWaalsContact O-N 3.09Å; R243-N247 PolarHBondContact O-ND2 3.49Å; Q244-N247 PolarHBondContact O-N 2.88Å; F245-N247 VanDerWaalsContact C-N 3.26Å; F245-N247 PolarHBondContact O-N 2.95Å; N247-R250 PolarHBondContact O-N 3.37Å; N247-L251 WeakPolarHBondContact O-CG 3.45Å; N247-L251 PolarHBondContact O-N 3.49Å |
| 248 | Y | 91.1 | Very high | 87.9 | Confident | 109 Ų | 109 | 69.1 Ų | 69.1 | 43% | 0.427 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.6 | -48.2 | 176.3 | 171.9 | -96.1 | 0 | 0 | 0 | 112 | Q244 F245 R250 L251 N252 | Q244-Y248 PolarHBondContact O-N 2.91Å; F245-Y248 WeakPolarHBondContact O-CB 3.31Å; F245-Y248 PolarHBondContact O-N 3.14Å; Y248-R250 VanDerWaalsContact C-N 3.31Å; Y248-R250 PolarHBondContact O-N 2.91Å; Y248-L251 PolarHBondContact O-N 3.49Å; Y248-L251 VanDerWaalsContact O-N 3.12Å; Y248-N252 HydrophobicContact CE1-CB 4.49Å; Y248-N252 WeakPolarHBondContact CE2-ND2 3.29Å; Y248-N252 PolarHBondContact O-N 3.22Å; Y248-N252 PolarHBondContact O-ND2 3.19Å; Y248-N252 VanDerWaalsContact O-ND2 3.08Å |
| 249 | V | 89 | Confident | 87.7 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 3% | 0.03 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.2 | -35.7 | 178.7 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | F189 F245 L251 N252 V254 | F189-V249 HydrophobicContact CE1-CG1 3.57Å; F189-V249 HydrophobicContact CZ-CG1 3.38Å; F245-V249 HydrophobicContact CD1-CG2 4.22Å; F245-V249 HydrophobicContact CD2-CG2 4.33Å; F245-V249 HydrophobicContact CE1-CG2 3.81Å; F245-V249 HydrophobicContact CE2-CG2 3.93Å; F245-V249 HydrophobicContact CG-CG2 4.48Å; F245-V249 HydrophobicContact CZ-CG2 3.65Å; F245-V249 WeakPolarHBondContact O-CG2 3.49Å; F245-V249 PolarHBondContact O-N 2.93Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 3.09Å; V249-N252 CarbonylContact O-C 3.58Å; V249-N252 PolarHBondContact O-N 2.94Å; V249-N252 VanDerWaalsContact O-O 3.06Å; V249-V254 HydrophobicContact CG1-CG2 4.3Å; V249-V254 HydrophobicContact CG2-CG2 4.47Å |
| 250 | R | 82.9 | Confident | 87.6 | Confident | 170 Ų | 170 | 68.6 Ų | 68.6 | 64% | 0.642 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -62.4 | -33.8 | 173.7 | -77.4 | 173.2 | 175.9 | -166.3 | -2.4 | 113 | V246 N247 Y248 | V246-R250 VanDerWaalsContact O-CG 3.27Å; V246-R250 WeakPolarHBondContact O-CG 3.41Å; V246-R250 PolarHBondContact O-N 3.33Å; V246-R250 VanDerWaalsContact O-N 3.11Å; N247-R250 PolarHBondContact O-N 3.37Å; Y248-R250 VanDerWaalsContact C-N 3.31Å; Y248-R250 PolarHBondContact O-N 2.91Å |
| 251 | L | 83.3 | Confident | 87.5 | Confident | 141 Ų | 141 | 67.5 Ų | 67.5 | 74% | 0.738 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -87.2 | -22.4 | 179.3 | -67.7 | 176.7 | 0 | 0 | 0 | 113 | N247 Y248 V249 | N247-L251 WeakPolarHBondContact O-CG 3.45Å; N247-L251 PolarHBondContact O-N 3.49Å; Y248-L251 PolarHBondContact O-N 3.49Å; Y248-L251 VanDerWaalsContact O-N 3.12Å; V249-L251 VanDerWaalsContact C-N 3.27Å; V249-L251 PolarHBondContact O-N 3.09Å |
| 252 | N | 84 | Confident | 87.5 | Confident | 55 Ų | 55 | 68 Ų | 68 | 29% | 0.294 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -132 | 84.3 | -178.8 | -55.2 | -81.6 | 0 | 0 | 0 | 108.3 | Y248 V249 V254 | Y248-N252 HydrophobicContact CE1-CB 4.49Å; Y248-N252 WeakPolarHBondContact CE2-ND2 3.29Å; Y248-N252 PolarHBondContact O-N 3.22Å; Y248-N252 PolarHBondContact O-ND2 3.19Å; Y248-N252 VanDerWaalsContact O-ND2 3.08Å; V249-N252 CarbonylContact O-C 3.58Å; V249-N252 PolarHBondContact O-N 2.94Å; V249-N252 VanDerWaalsContact O-O 3.06Å; N252-V254 PolarHBondContact O-N 3.17Å |
| 253 | P | 76.8 | Confident | 87.4 | Confident | 62 Ų | 62 | 67.9 Ų | 67.9 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | trans | -53.9 | 133.7 | -178.9 | -24.8 | 33.3 | 0 | 0 | 0 | 111.4 | V182 P183 | V182-P253 HydrophobicContact CG1-CG 3.96Å; P183-P253 HydrophobicContact CG-CB 4.36Å | ||
| 254 | V | 81.1 | Confident | 87.5 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | trans | -95 | 134.6 | 175.3 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | F189 V249 N252 H256 D259 L260 L263 | F189-V254 HydrophobicContact CE2-CB 3.89Å; F189-V254 HydrophobicContact CE2-CG1 4.49Å; F189-V254 HydrophobicContact CZ-CB 4.08Å; V249-V254 HydrophobicContact CG1-CG2 4.3Å; V249-V254 HydrophobicContact CG2-CG2 4.47Å; N252-V254 PolarHBondContact O-N 3.17Å; V254-H256 WeakPolarHBondContact CG1-O 3.44Å; V254-D259 HydrophobicContact CG1-CB 3.94Å; V254-L260 HydrophobicContact CB-CD2 4.43Å; V254-L260 HydrophobicContact CG1-CD2 4.47Å; V254-L260 HydrophobicContact CG2-CD2 4.32Å; V254-L263 HydrophobicContact CB-CD1 4.41Å; V254-L263 HydrophobicContact CG1-CD1 3.88Å; V254-L263 HydrophobicContact CG2-CD1 3.58Å | ||
| 255 | E | 75.1 | Confident | 87.5 | Confident | 150 Ų | 150 | 56 Ų | 56 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -69.5 | -42.6 | -173.9 | -66.7 | -173.5 | 166.8 | 0 | 0 | 112.3 | ||
| 256 | H | 82 | Confident | 87.4 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 42% | 0.421 | 31% | 0.312 | S | S | . | . | trans | -125 | 136.8 | -176.1 | -60.4 | -56.7 | 0 | 0 | 0 | 112.2 | E186 V254 S258 D259 | E186-H256 IonicContact OE1-ND1 3.52Å; E186-H256 PolarHBondContact OE1-ND1 3.49Å; V254-H256 WeakPolarHBondContact CG1-O 3.44Å; H256-S258 WeakPolarHBondContact CB-OG 3.49Å; H256-S258 PolarHBondContact O-N 3.1Å; H256-S258 VanDerWaalsContact O-N 3.14Å; H256-D259 PolarHBondContact O-N 3.24Å; H256-D259 VanDerWaalsContact O-N 3.14Å | ||
| 257 | A | 84.3 | Confident | 87.5 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 7% | 0.066 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -62.1 | -22.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E186 F189 E192 D259 L260 | E186-A257 PolarHBondContact OE2-N 2.99Å; F189-A257 HydrophobicContact CD2-CB 4.43Å; E192-A257 HydrophobicContact CB-CB 4.22Å; E192-A257 HydrophobicContact CG-CB 3.97Å; A257-D259 PolarHBondContact O-N 3.33Å; A257-L260 HydrophobicContact CB-CD1 4.26Å; A257-L260 WeakPolarHBondContact O-CB 3.49Å; A257-L260 WeakPolarHBondContact O-CG 3.46Å; A257-L260 PolarHBondContact O-N 3.2Å |
| 258 | S | 85 | Confident | 87.6 | Confident | 85 Ų | 85 | 58.5 Ų | 58.5 | 59% | 0.594 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -60.1 | -28.2 | 175.2 | 52.8 | 0 | 0 | 0 | 0 | 114 | H256 L260 | H256-S258 WeakPolarHBondContact CB-OG 3.49Å; H256-S258 PolarHBondContact O-N 3.1Å; H256-S258 VanDerWaalsContact O-N 3.14Å; S258-L260 VanDerWaalsContact C-N 3.33Å |
| 259 | D | 88.4 | Confident | 87.5 | Confident | 72 Ų | 72 | 55.3 Ų | 55.3 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -83.9 | -15.7 | -173.8 | -55.5 | -24.7 | 0 | 0 | 0 | 111.9 | V254 H256 A257 M261 G262 L263 | V254-D259 HydrophobicContact CG1-CB 3.94Å; H256-D259 PolarHBondContact O-N 3.24Å; H256-D259 VanDerWaalsContact O-N 3.14Å; A257-D259 PolarHBondContact O-N 3.33Å; D259-M261 VanDerWaalsContact C-N 3.26Å; D259-M261 PolarHBondContact O-N 3.24Å; D259-G262 PolarHBondContact O-N 3.35Å; D259-L263 HydrophobicContact CB-CD1 4.35Å; D259-L263 WeakPolarHBondContact O-CG 3.43Å; D259-L263 PolarHBondContact O-N 3.03Å; D259-L263 VanDerWaalsContact O-N 3.08Å |
| 260 | L | 91.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.9 | -35.8 | -176.1 | -71.2 | 175.6 | 0 | 0 | 0 | 113 | F189 E192 L193 I196 V254 A257 S258 F264 | F189-L260 HydrophobicContact CD2-CD1 4.12Å; F189-L260 HydrophobicContact CE2-CD1 3.91Å; F189-L260 HydrophobicContact CE2-CD2 3.81Å; F189-L260 HydrophobicContact CE2-CG 4.08Å; F189-L260 HydrophobicContact CZ-CD1 4.33Å; F189-L260 HydrophobicContact CZ-CD2 3.76Å; F189-L260 HydrophobicContact CZ-CG 4.48Å; E192-L260 HydrophobicContact CB-CD1 4.44Å; E192-L260 HydrophobicContact CG-CD1 4.37Å; L193-L260 HydrophobicContact CB-CD1 4.09Å; L193-L260 HydrophobicContact CD1-CD2 4.11Å; I196-L260 HydrophobicContact CD1-CB 3.65Å; I196-L260 HydrophobicContact CD1-CD1 4.46Å; V254-L260 HydrophobicContact CB-CD2 4.43Å; V254-L260 HydrophobicContact CG1-CD2 4.47Å; V254-L260 HydrophobicContact CG2-CD2 4.32Å; A257-L260 HydrophobicContact CB-CD1 4.26Å; A257-L260 WeakPolarHBondContact O-CB 3.49Å; A257-L260 WeakPolarHBondContact O-CG 3.46Å; A257-L260 PolarHBondContact O-N 3.2Å; S258-L260 VanDerWaalsContact C-N 3.33Å; L260-F264 WeakPolarHBondContact O-CB 3.43Å; L260-F264 PolarHBondContact O-N 3.24Å |
| 261 | M | 92.4 | Very high | 87.8 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.8 | -54 | 179.4 | -176.3 | 59.8 | 71 | 0 | 0 | 111.3 | I196 M199 V200 I220 Y225 D259 L263 F264 V265 | I196-M261 HydrophobicContact CB-CE 4.29Å; I196-M261 HydrophobicContact CD1-CB 4.45Å; I196-M261 HydrophobicContact CD1-CE 4.48Å; I196-M261 HydrophobicContact CG1-CE 3.92Å; I196-M261 HydrophobicContact CG2-CB 4.46Å; I196-M261 HydrophobicContact CG2-CE 3.77Å; I196-M261 HydrophobicContact CG2-SD 3.93Å; M199-M261 HydrophobicContact CE-CE 3.11Å; M199-M261 HydrophobicContact CE-SD 4.48Å; V200-M261 HydrophobicContact CG2-SD 3.77Å; I220-M261 HydrophobicContact CG2-CE 4.26Å; I220-M261 HydrophobicContact CG2-SD 4.1Å; Y225-M261 HydrophobicContact CD2-CB 4.11Å; Y225-M261 HydrophobicContact CD2-CG 3.28Å; Y225-M261 HydrophobicContact CE2-CB 3.98Å; Y225-M261 HydrophobicContact CE2-CG 3.67Å; Y225-M261 HydrophobicContact CG-CG 3.83Å; D259-M261 VanDerWaalsContact C-N 3.26Å; D259-M261 PolarHBondContact O-N 3.24Å; M261-L263 VanDerWaalsContact C-N 3.34Å; M261-L263 PolarHBondContact O-N 3.36Å; M261-F264 PolarHBondContact O-N 3.35Å; M261-V265 WeakPolarHBondContact O-CB 3.35Å; M261-V265 VanDerWaalsContact O-CG2 3.27Å; M261-V265 WeakPolarHBondContact O-CG2 3.16Å; M261-V265 PolarHBondContact O-N 3.34Å; M261-V265 HydrophobicContact SD-CG2 4.18Å |
| 262 | G | 92.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 49.7 Ų | 49.7 | 17% | 0.165 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D259 F264 V265 E266 | D259-G262 PolarHBondContact O-N 3.35Å; G262-F264 PolarHBondContact O-N 2.79Å; G262-V265 PolarHBondContact O-N 2.87Å; G262-E266 WeakPolarHBondContact O-CB 3.46Å; G262-E266 PolarHBondContact O-N 3.43Å |
| 263 | L | 93.1 | Very high | 87 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 178.4 | -71.7 | 172 | 0 | 0 | 0 | 112.7 | F245 V254 D259 M261 F267 | F245-L263 HydrophobicContact CE2-CB 4.07Å; F245-L263 HydrophobicContact CZ-CB 4Å; V254-L263 HydrophobicContact CB-CD1 4.41Å; V254-L263 HydrophobicContact CG1-CD1 3.88Å; V254-L263 HydrophobicContact CG2-CD1 3.58Å; D259-L263 HydrophobicContact CB-CD1 4.35Å; D259-L263 WeakPolarHBondContact O-CG 3.43Å; D259-L263 PolarHBondContact O-N 3.03Å; D259-L263 VanDerWaalsContact O-N 3.08Å; M261-L263 VanDerWaalsContact C-N 3.34Å; M261-L263 PolarHBondContact O-N 3.36Å; L263-F267 VanDerWaalsContact O-CB 3.24Å; L263-F267 WeakPolarHBondContact O-CB 3.46Å; L263-F267 PolarHBondContact O-N 3.1Å |
| 264 | F | 94.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.4 | -41 | -179.8 | -172.1 | -127.9 | 0 | 0 | 0 | 111.9 | T197 V200 M201 R242 F245 L260 M261 G262 E266 F267 V268 | T197-F264 HydrophobicContact CG2-CD1 3.9Å; T197-F264 HydrophobicContact CG2-CD2 4.05Å; T197-F264 HydrophobicContact CG2-CE1 3.88Å; T197-F264 HydrophobicContact CG2-CE2 4.03Å; T197-F264 HydrophobicContact CG2-CG 3.98Å; T197-F264 HydrophobicContact CG2-CZ 3.94Å; V200-F264 HydrophobicContact CB-CD1 3.86Å; V200-F264 HydrophobicContact CB-CE1 3.8Å; V200-F264 HydrophobicContact CG1-CD1 3.98Å; V200-F264 HydrophobicContact CG1-CE1 3.85Å; V200-F264 HydrophobicContact CG2-CD1 4.05Å; V200-F264 HydrophobicContact CG2-CE1 4.48Å; M201-F264 HydrophobicContact CG-CZ 4.49Å; R242-F264 HydrophobicContact CB-CZ 4.36Å; F245-F264 HydrophobicContact CB-CD2 3.83Å; F245-F264 HydrophobicContact CB-CE2 3.83Å; F245-F264 HydrophobicContact CD1-CB 4.23Å; F245-F264 AromaticContact CD1-CD2 3.32Å; F245-F264 HydrophobicContact CD1-CD2 3.32Å; F245-F264 AromaticContact CD1-CE2 3.95Å; F245-F264 HydrophobicContact CD1-CE2 3.95Å; F245-F264 HydrophobicContact CD1-CG 4.04Å; F245-F264 AromaticContact CD2-CD2 3.92Å; F245-F264 HydrophobicContact CD2-CD2 3.92Å; F245-F264 HydrophobicContact CE1-CB 3.71Å; F245-F264 AromaticContact CE1-CD2 3.74Å; F245-F264 HydrophobicContact CE1-CD2 3.74Å; F245-F264 HydrophobicContact CE1-CG 4.02Å; F245-F264 HydrophobicContact CE2-CB 4.25Å; F245-F264 HydrophobicContact CE2-CD2 4.29Å; F245-F264 AromaticContact CG-CD2 3.41Å; F245-F264 HydrophobicContact CG-CD2 3.41Å; F245-F264 VanDerWaalsContact CG-CD2 3.41Å; F245-F264 AromaticContact CG-CE2 3.94Å; F245-F264 HydrophobicContact CG-CE2 3.94Å; F245-F264 HydrophobicContact CG-CG 4.44Å; F245-F264 HydrophobicContact CZ-CB 3.72Å; F245-F264 HydrophobicContact CZ-CD2 4.2Å; F245-F264 HydrophobicContact CZ-CG 4.41Å; L260-F264 WeakPolarHBondContact O-CB 3.43Å; L260-F264 PolarHBondContact O-N 3.24Å; M261-F264 PolarHBondContact O-N 3.35Å; G262-F264 PolarHBondContact O-N 2.79Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 3.15Å; F264-F267 WeakPolarHBondContact O-CB 3.43Å; F264-F267 PolarHBondContact O-N 3.28Å; F264-V268 HydrophobicContact CD1-CG2 4.35Å; F264-V268 HydrophobicContact CD2-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 4Å; F264-V268 HydrophobicContact CE2-CG2 3.8Å; F264-V268 HydrophobicContact CG-CG2 4.42Å; F264-V268 HydrophobicContact CZ-CG2 3.72Å; F264-V268 WeakPolarHBondContact O-CB 3.01Å; F264-V268 VanDerWaalsContact O-CG2 3.29Å; F264-V268 WeakPolarHBondContact O-CG2 3.43Å; F264-V268 PolarHBondContact O-N 3.17Å |
| 265 | V | 93.8 | Very high | 87.8 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 6% | 0.055 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175.6 | 166.7 | 0 | 0 | 0 | 0 | 110.8 | V200 I220 S226 V227 M261 G262 V268 N269 | V200-V265 HydrophobicContact CG2-CG2 4.39Å; I220-V265 HydrophobicContact CG1-CG2 4.48Å; S226-V265 WeakPolarHBondContact O-CG1 3.22Å; V227-V265 HydrophobicContact CG1-CB 4.34Å; V227-V265 HydrophobicContact CG1-CG1 3.99Å; V227-V265 HydrophobicContact CG1-CG2 3.97Å; M261-V265 WeakPolarHBondContact O-CB 3.35Å; M261-V265 VanDerWaalsContact O-CG2 3.27Å; M261-V265 WeakPolarHBondContact O-CG2 3.16Å; M261-V265 PolarHBondContact O-N 3.34Å; M261-V265 HydrophobicContact SD-CG2 4.18Å; G262-V265 PolarHBondContact O-N 2.87Å; V265-V268 PolarHBondContact O-N 3.25Å; V265-N269 WeakPolarHBondContact O-CB 3.15Å; V265-N269 VanDerWaalsContact O-CG 3.23Å; V265-N269 PolarHBondContact O-N 3.43Å; V265-N269 PolarHBondContact O-ND2 3.29Å |
| 266 | E | 92.8 | Very high | 88.5 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 53% | 0.533 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.8 | -42.7 | 175.3 | -173.2 | 175.6 | -172.8 | 0 | 0 | 111.9 | G262 F264 N269 H270 | G262-E266 WeakPolarHBondContact O-CB 3.46Å; G262-E266 PolarHBondContact O-N 3.43Å; F264-E266 VanDerWaalsContact C-N 3.35Å; F264-E266 PolarHBondContact O-N 3.15Å; E266-N269 PolarHBondContact O-N 3.25Å; E266-H270 PolarHBondContact O-N 2.86Å; E266-H270 VanDerWaalsContact O-N 3.16Å; E266-H270 PolarHBondContact O-ND1 3.36Å |
| 267 | F | 93.8 | Very high | 88.9 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 20% | 0.197 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 177.8 | -170 | -89.3 | 0 | 0 | 0 | 111.8 | V241 Q244 F245 L263 F264 H270 S271 | V241-F267 HydrophobicContact CG1-CD1 3.85Å; V241-F267 HydrophobicContact CG1-CE1 3.9Å; Q244-F267 HydrophobicContact CB-CE1 4.02Å; Q244-F267 HydrophobicContact CB-CZ 3.8Å; F245-F267 HydrophobicContact CB-CD1 3.78Å; F245-F267 HydrophobicContact CB-CE1 3.84Å; F245-F267 HydrophobicContact CB-CG 4.23Å; F245-F267 HydrophobicContact CB-CZ 4.33Å; F245-F267 HydrophobicContact CD2-CB 3.74Å; F245-F267 HydrophobicContact CD2-CD1 4.02Å; F245-F267 AromaticContact CD2-CD2 3.83Å; F245-F267 HydrophobicContact CD2-CD2 3.83Å; F245-F267 HydrophobicContact CD2-CE2 4.46Å; F245-F267 AromaticContact CD2-CG 3.59Å; F245-F267 HydrophobicContact CD2-CG 3.59Å; F245-F267 HydrophobicContact CE2-CB 4.13Å; F245-F267 HydrophobicContact CE2-CG 4.41Å; F245-F267 HydrophobicContact CG-CD1 4.32Å; F245-F267 HydrophobicContact CG-CG 4.33Å; L263-F267 VanDerWaalsContact O-CB 3.24Å; L263-F267 WeakPolarHBondContact O-CB 3.46Å; L263-F267 PolarHBondContact O-N 3.1Å; F264-F267 WeakPolarHBondContact O-CB 3.43Å; F264-F267 PolarHBondContact O-N 3.28Å; F267-H270 PolarHBondContact O-N 2.99Å; F267-S271 WeakPolarHBondContact CD1-OG 3.21Å; F267-S271 VanDerWaalsContact CE1-OG 3.27Å; F267-S271 WeakPolarHBondContact CE1-OG 3.29Å; F267-S271 WeakPolarHBondContact O-CB 3.43Å; F267-S271 PolarHBondContact O-N 3.32Å; F267-S271 PolarHBondContact O-OG 3.15Å |
| 268 | V | 92.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.6 | -49.2 | 176.4 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | M204 V241 F264 V265 H270 S271 F272 | M204-V268 HydrophobicContact CE-CG1 3.84Å; M204-V268 HydrophobicContact SD-CG1 3.73Å; V241-V268 HydrophobicContact CG1-CG2 3.99Å; F264-V268 HydrophobicContact CD1-CG2 4.35Å; F264-V268 HydrophobicContact CD2-CG2 4.14Å; F264-V268 HydrophobicContact CE1-CG2 4Å; F264-V268 HydrophobicContact CE2-CG2 3.8Å; F264-V268 HydrophobicContact CG-CG2 4.42Å; F264-V268 HydrophobicContact CZ-CG2 3.72Å; F264-V268 WeakPolarHBondContact O-CB 3.01Å; F264-V268 VanDerWaalsContact O-CG2 3.29Å; F264-V268 WeakPolarHBondContact O-CG2 3.43Å; F264-V268 PolarHBondContact O-N 3.17Å; V265-V268 PolarHBondContact O-N 3.25Å; V268-H270 PolarHBondContact O-N 2.81Å; V268-H270 VanDerWaalsContact O-N 3.09Å; V268-S271 PolarHBondContact O-N 3.45Å; V268-F272 HydrophobicContact CG1-CD2 4.19Å; V268-F272 HydrophobicContact CG1-CE2 4.15Å; V268-F272 WeakPolarHBondContact O-CD2 3.48Å |
| 269 | N | 89 | Confident | 89.5 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 23% | 0.23 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -21.1 | -180 | -72.7 | -26.2 | 0 | 0 | 0 | 113.6 | V228 V265 E266 K273 | V228-N269 PolarHBondContact N-OD1 3.18Å; V265-N269 WeakPolarHBondContact O-CB 3.15Å; V265-N269 VanDerWaalsContact O-CG 3.23Å; V265-N269 PolarHBondContact O-N 3.43Å; V265-N269 PolarHBondContact O-ND2 3.29Å; E266-N269 PolarHBondContact O-N 3.25Å; N269-K273 WeakPolarHBondContact O-CE 2.88Å |
| 270 | H | 89.9 | Confident | 89.5 | Confident | 102 Ų | 102 | 50.8 Ų | 50.8 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -99 | -19.4 | 175.3 | -72.3 | 89.6 | 0 | 0 | 0 | 114.1 | E266 F267 V268 F272 K273 | E266-H270 PolarHBondContact O-N 2.86Å; E266-H270 VanDerWaalsContact O-N 3.16Å; E266-H270 PolarHBondContact O-ND1 3.36Å; F267-H270 PolarHBondContact O-N 2.99Å; V268-H270 PolarHBondContact O-N 2.81Å; V268-H270 VanDerWaalsContact O-N 3.09Å; H270-F272 VanDerWaalsContact C-N 3.32Å; H270-F272 PolarHBondContact O-N 3.03Å; H270-K273 PolarHBondContact NE2-NZ 2.97Å |
| 271 | S | 88.7 | Confident | 89.4 | Confident | 40 Ų | 40 | 54.7 Ų | 54.7 | 28% | 0.28 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -77.8 | -17.5 | -176.5 | -64 | 0 | 0 | 0 | 0 | 113.9 | F267 V268 | F267-S271 WeakPolarHBondContact CD1-OG 3.21Å; F267-S271 VanDerWaalsContact CE1-OG 3.27Å; F267-S271 WeakPolarHBondContact CE1-OG 3.29Å; F267-S271 WeakPolarHBondContact O-CB 3.43Å; F267-S271 PolarHBondContact O-N 3.32Å; F267-S271 PolarHBondContact O-OG 3.15Å; V268-S271 PolarHBondContact O-N 3.45Å |
| 272 | F | 81.8 | Confident | 89.2 | Confident | 56 Ų | 56 | 57.8 Ų | 57.8 | 25% | 0.246 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.8 | 13.1 | -176.1 | -67.8 | -77.3 | 0 | 0 | 0 | 114 | P230 L238 V241 V268 H270 | P230-F272 HydrophobicContact CB-CB 3.67Å; P230-F272 HydrophobicContact CB-CD1 4.17Å; P230-F272 HydrophobicContact CB-CD2 4.45Å; P230-F272 HydrophobicContact CB-CG 3.88Å; P230-F272 HydrophobicContact CG-CB 3.51Å; P230-F272 HydrophobicContact CG-CD1 4.12Å; P230-F272 HydrophobicContact CG-CD2 3.56Å; P230-F272 HydrophobicContact CG-CE2 4.26Å; P230-F272 HydrophobicContact CG-CG 3.48Å; P230-F272 VanDerWaalsContact CG-CG 3.48Å; L238-F272 HydrophobicContact CD2-CE2 4.06Å; L238-F272 HydrophobicContact CD2-CZ 4.01Å; V241-F272 HydrophobicContact CB-CE2 4.38Å; V241-F272 HydrophobicContact CB-CZ 4.44Å; V241-F272 HydrophobicContact CG1-CE2 4.45Å; V241-F272 HydrophobicContact CG2-CD2 4.46Å; V241-F272 HydrophobicContact CG2-CE1 4.26Å; V241-F272 HydrophobicContact CG2-CE2 3.7Å; V241-F272 HydrophobicContact CG2-CZ 3.58Å; V268-F272 HydrophobicContact CG1-CD2 4.19Å; V268-F272 HydrophobicContact CG1-CE2 4.15Å; V268-F272 WeakPolarHBondContact O-CD2 3.48Å; H270-F272 VanDerWaalsContact C-N 3.32Å; H270-F272 PolarHBondContact O-N 3.03Å |
| 273 | K | 67 | Low | 88.8 | Confident | 212 Ų | 212 | 61.6 Ų | 61.6 | 92% | 0.922 | 29% | 0.294 | S | S | * | . | trans | -81.3 | 0 | 167 | -69.2 | 179.6 | -179.7 | 172.3 | 0 | 109.9 | N269 H270 | N269-K273 WeakPolarHBondContact O-CE 2.88Å; H270-K273 PolarHBondContact NE2-NZ 2.97Å |
Retrieved 273 of 273 residues in 261.8 ms
(Link to these results)