A0A087X641_POEFO Loading...

PHD finger protein 1

AlphaFold DB , UniProt , Accession A0A087X641, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 aa.

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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
1M45.1Very low82.7Confident107 Ų10759.5 Ų59.553%0.52739%0.389SS..  094.90-64.4-153.4-82.600113.8C63 D66M1-C63 WeakPolarHBondContact CG-O 3.42Å; M1-C63 PolarHBondContact N-O 3.43Å; M1-D66 PolarHBondContact N-OD1 3.27Å; M1-D66 PolarHBondContact N-OD2 3.26Å
2G54.6Low83.8Confident54 Ų5454.5 Ų54.556%0.55736%0.357SS*.  trans-47.614817300000114.3V4 R48G2-V4 PolarHBondContact O-N 2.84Å; G2-V4 VanDerWaalsContact O-N 3.11Å; G2-R48 PolarHBondContact O-NH2 3.45Å
3G70.9Confident84.9Confident61 Ų6151.8 Ų51.863%0.62934%0.335SS*.  trans-65.6102.1-17200000113.7S5G3-S5 PolarHBondContact O-N 3.41Å; G3-S5 PolarHBondContact O-OG 2.67Å
4V85.3Confident85.8Confident9 Ų949.4 Ų49.46%0.05532%0.316CS..  trans-62.2127.2163-176.70000108.6G2 D8 V10 V24 I51G2-V4 PolarHBondContact O-N 2.84Å; G2-V4 VanDerWaalsContact O-N 3.11Å; V4-D8 WeakPolarHBondContact CA-OD2 3.41Å; V4-D8 HydrophobicContact CG1-CB 4.24Å; V4-V10 HydrophobicContact CG1-CG1 4.01Å; V4-V24 HydrophobicContact CG1-CB 4.28Å; V4-V24 HydrophobicContact CG1-CG1 4.21Å; V4-V24 HydrophobicContact CG1-CG2 3.48Å; V4-V24 VanDerWaalsContact CG1-CG2 3.48Å; V4-I51 HydrophobicContact CG1-CG2 4.47Å; V4-I51 HydrophobicContact CG2-CG2 3.93Å
5S90.9Very high86.5Confident65 Ų6547.1 Ų47.146%0.45530%0.302SS..  trans-115.6164.7-178.3-600000111.1G3 G7 D8 V24G3-S5 PolarHBondContact O-N 3.41Å; G3-S5 PolarHBondContact O-OG 2.67Å; S5-G7 PolarHBondContact O-N 2.78Å; S5-D8 PolarHBondContact N-OD2 2.76Å; S5-D8 WeakPolarHBondContact O-CB 3.42Å; S5-D8 PolarHBondContact O-N 2.84Å; S5-V24 WeakPolarHBondContact O-CB 3.37Å; S5-V24 WeakPolarHBondContact O-CG1 3.45Å
6E94.1Very high87.2Confident127 Ų12745.9 Ų45.959%0.59329%0.292SS*.THydrogen-bonded Turntrans-62.8135.7171-65.5-174179.600110.4R26 V27E6-R26 WeakPolarHBondContact OE1-CA 3.2Å; E6-V27 HydrophobicContact CG-CG2 4.25Å
7G93.1Very high87.7Confident47 Ų4743.4 Ų43.449%0.48528%0.277SS..THydrogen-bonded Turntrans93.3-14.8-175.400000114.4S5 N23 V24S5-G7 PolarHBondContact O-N 2.78Å; G7-N23 PolarHBondContact O-ND2 2.88Å; G7-V24 PolarHBondContact N-O 2.75Å
8D93.3Very high88.3Confident47 Ų4742.1 Ų42.125%0.25127%0.267SS..  trans-65.1136.3179.1-72.1-3.1000111.7V4 S5 V10 N23 V24V4-D8 WeakPolarHBondContact CA-OD2 3.41Å; V4-D8 HydrophobicContact CG1-CB 4.24Å; S5-D8 PolarHBondContact N-OD2 2.76Å; S5-D8 WeakPolarHBondContact O-CB 3.42Å; S5-D8 PolarHBondContact O-N 2.84Å; D8-V10 HydrophobicContact CB-CG1 4.26Å; D8-N23 WeakPolarHBondContact O-CA 3.38Å; D8-V24 HydrophobicContact CB-CG2 4.34Å; D8-V24 WeakPolarHBondContact O-CG2 3.31Å; D8-V24 PolarHBondContact O-N 3.44Å
9D94.3Very high88.7Confident90 Ų9042.2 Ų42.248%0.48127%0.266SS..EExtended strand (participates in β ladder)trans-80.4137.8163.5-68-32.7000109.7G22 N23 F54D9-G22 WeakPolarHBondContact CA-O 3.43Å; D9-N23 PolarHBondContact OD1-ND2 2.96Å; D9-F54 HydrophobicContact CB-CD2 4.18Å; D9-F54 HydrophobicContact CB-CE2 4.22Å; D9-F54 WeakPolarHBondContact O-CD2 3.38Å
10V93.8Very high89.1Confident0 Ų040.5 Ų40.50%025%0.254CS..EExtended strand (participates in β ladder)trans-144.7157.2-173.5-61.90000111.7V4 D8 G22 V24 V36 I51 H52V4-V10 HydrophobicContact CG1-CG1 4.01Å; D8-V10 HydrophobicContact CB-CG1 4.26Å; V10-G22 PolarHBondContact N-O 2.89Å; V10-G22 PolarHBondContact O-N 2.78Å; V10-V24 HydrophobicContact CB-CG2 4.5Å; V10-V24 HydrophobicContact CG1-CG2 3.75Å; V10-V24 HydrophobicContact CG2-CG2 3.86Å; V10-V36 HydrophobicContact CG2-CG1 4.24Å; V10-V36 HydrophobicContact CG2-CG2 4.46Å; V10-I51 HydrophobicContact CB-CG2 3.68Å; V10-I51 HydrophobicContact CG1-CG2 3.65Å; V10-I51 HydrophobicContact CG2-CG2 3.94Å; V10-H52 WeakPolarHBondContact CA-O 3.36Å; V10-H52 WeakPolarHBondContact CB-O 3.42Å
11L94.8Very high89.5Confident47 Ų4741.7 Ų41.725%0.24626%0.258CS..EExtended strand (participates in β ladder)trans-97.3110.3162.5-64.7175.9000109.9L19 Y20 L21 H52 F54L11-L19 HydrophobicContact CB-CB 4.28Å; L11-L19 HydrophobicContact CB-CD1 4.43Å; L11-L19 HydrophobicContact CB-CD2 4.27Å; L11-L19 HydrophobicContact CD1-CD1 4.19Å; L11-Y20 WeakPolarHBondContact CA-O 3.24Å; L11-L21 HydrophobicContact CD2-CB 4.43Å; L11-L21 HydrophobicContact CD2-CD1 4.41Å; L11-H52 HydrophobicContact CB-CB 4.22Å; L11-H52 PolarHBondContact N-O 3.41Å; L11-H52 PolarHBondContact O-N 2.92Å; L11-H52 PolarHBondContact O-ND1 2.58Å; L11-F54 HydrophobicContact CD1-CE1 3.89Å; L11-F54 HydrophobicContact CD1-CZ 4.02Å; L11-F54 HydrophobicContact CD2-CE1 4.46Å; L11-F54 HydrophobicContact CD2-CZ 3.79Å; L11-F54 HydrophobicContact CG-CE1 3.83Å; L11-F54 HydrophobicContact CG-CE2 4.3Å; L11-F54 HydrophobicContact CG-CZ 3.44Å; L11-F54 VanDerWaalsContact CG-CZ 3.44Å
12A96.1Very high91.9Very high0 Ų036.8 Ų36.80%024%0.235CC..EExtended strand (participates in β ladder)trans-95.8129.2176.100000110.8L19 Y20 F38 V46 D50A12-L19 WeakPolarHBondContact O-CA 3.43Å; A12-Y20 PolarHBondContact N-O 2.87Å; A12-Y20 PolarHBondContact O-N 2.74Å; A12-F38 HydrophobicContact CB-CE1 3.84Å; A12-F38 HydrophobicContact CB-CZ 4.04Å; A12-V46 HydrophobicContact CB-CG1 4.08Å; A12-V46 HydrophobicContact CB-CG2 4.24Å; A12-D50 CarbonylContact C-O 3.48Å; A12-D50 WeakPolarHBondContact CA-O 3.46Å
13R97.1Very high93.9Very high20 Ų2035.9 Ų35.98%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-78.5129.1173.2-172.9177.3-66.6104.24.5110.1L18 L19 D50 H52 G161R13-L18 CarbonylContact C-O 3.43Å; R13-L18 VanDerWaalsContact CA-O 3.31Å; R13-L18 WeakPolarHBondContact CA-O 3.35Å; R13-L19 HydrophobicContact CB-CD2 3.86Å; R13-D50 HydrophobicContact CB-CB 4.13Å; R13-D50 PolarHBondContact N-O 3.46Å; R13-D50 IonicContact NH1-OD1 3.31Å; R13-H52 VanDerWaalsContact CZ-CE1 3.47Å; R13-H52 PolarHBondContact NH1-CE1 2.96Å; R13-H52 PolarHBondContact NH2-CE1 3.31Å; R13-H52 PolarHBondContact NH2-NE2 2.95Å; R13-G161 VanDerWaalsContact CD-CA 3.49Å
14W97.4Very high95.1Very high17 Ų1733 Ų336%0.06419%0.188CC..  trans-99175.4178.6-161.5-110000112.7D16 G17 L18 Y20 F38 F44 R325W14-D16 PolarHBondContact O-N 3.28Å; W14-D16 VanDerWaalsContact O-N 3.1Å; W14-G17 PolarHBondContact O-N 3.39Å; W14-L18 PolarHBondContact N-O 3.42Å; W14-Y20 HydrophobicContact CB-CD2 3.6Å; W14-Y20 HydrophobicContact CB-CE2 3.47Å; W14-Y20 VanDerWaalsContact CB-CE2 3.47Å; W14-Y20 HydrophobicContact CG-CD2 4.44Å; W14-Y20 HydrophobicContact CG-CE2 4.2Å; W14-F38 HydrophobicContact CE3-CZ 4.08Å; W14-F38 HydrophobicContact CZ3-CE2 4.13Å; W14-F38 HydrophobicContact CZ3-CZ 4.07Å; W14-F44 HydrophobicContact CH2-CB 3.88Å; W14-F44 HydrophobicContact CH2-CD1 4.01Å; W14-F44 AromaticContact CH2-CD2 3.37Å; W14-F44 HydrophobicContact CH2-CD2 3.37Å; W14-F44 HydrophobicContact CH2-CE1 4.36Å; W14-F44 AromaticContact CH2-CE2 3.78Å; W14-F44 HydrophobicContact CH2-CE2 3.78Å; W14-F44 AromaticContact CH2-CG 3.47Å; W14-F44 HydrophobicContact CH2-CG 3.47Å; W14-F44 VanDerWaalsContact CH2-CG 3.47Å; W14-F44 HydrophobicContact CH2-CZ 4.25Å; W14-F44 HydrophobicContact CZ2-CD2 4.26Å; W14-F44 HydrophobicContact CZ2-CE2 4.25Å; W14-F44 HydrophobicContact CZ3-CB 3.88Å; W14-F44 AromaticContact CZ3-CD2 3.86Å; W14-F44 HydrophobicContact CZ3-CD2 3.86Å; W14-F44 AromaticContact CZ3-CG 3.97Å; W14-F44 HydrophobicContact CZ3-CG 3.97Å; W14-R325 HydrophobicContact CH2-CB 4.22Å; W14-R325 HydrophobicContact CZ2-CB 3.54Å
15S97Very high95.7Very high15 Ų1535.9 Ų35.911%0.10520%0.2CC..THydrogen-bonded Turntrans-67.4-4.4-179.358.60000115P162 H180S15-P162 WeakPolarHBondContact CA-O 3.48Å; S15-H180 PolarHBondContact O-CD2 2.83Å; S15-H180 PolarHBondContact O-NE2 3.49Å
16D97.2Very high96Very high28 Ų2840.2 Ų40.215%0.1521%0.206CC..THydrogen-bonded Turntrans-95.52.31706013.4000112.7W14 L18 Y20 A182 S327W14-D16 PolarHBondContact O-N 3.28Å; W14-D16 VanDerWaalsContact O-N 3.1Å; D16-L18 VanDerWaalsContact C-N 3.27Å; D16-L18 PolarHBondContact O-N 3.11Å; D16-L18 VanDerWaalsContact OD1-CB 3.3Å; D16-L18 WeakPolarHBondContact OD1-CB 3.32Å; D16-L18 PolarHBondContact OD1-N 2.78Å; D16-Y20 PolarHBondContact OD2-OH 2.85Å; D16-A182 WeakPolarHBondContact O-CB 3.45Å; D16-S327 WeakPolarHBondContact OD2-CB 3.46Å; D16-S327 PolarHBondContact OD2-OG 3.24Å
17G96.8Very high96.1Very high4 Ų437 Ų374%0.04120%0.195CC..SBendtrans78.90.9-178.300000114.9W14W14-G17 PolarHBondContact O-N 3.39Å
18L97.8Very high96.2Very high19 Ų1936.5 Ų36.510%0.09918%0.181CC..  trans-90.6159179.1-58.4173.8000111.7R13 W14 D16 Y20 R115 A182R13-L18 CarbonylContact C-O 3.43Å; R13-L18 VanDerWaalsContact CA-O 3.31Å; R13-L18 WeakPolarHBondContact CA-O 3.35Å; W14-L18 PolarHBondContact N-O 3.42Å; D16-L18 VanDerWaalsContact C-N 3.27Å; D16-L18 PolarHBondContact O-N 3.11Å; D16-L18 VanDerWaalsContact OD1-CB 3.3Å; D16-L18 WeakPolarHBondContact OD1-CB 3.32Å; D16-L18 PolarHBondContact OD1-N 2.78Å; L18-Y20 HydrophobicContact CB-CE2 3.76Å; L18-R115 HydrophobicContact CD1-CG 3.62Å; L18-A182 HydrophobicContact CD2-CB 3.79Å; L18-A182 HydrophobicContact CG-CB 4.11Å
19L96.3Very high96Very high45 Ų4536.8 Ų36.824%0.23620%0.195CC..EExtended strand (participates in β ladder)trans-96.5137.7175.1-66.1173.3000110.6L11 A12 R13 H52 A110L11-L19 HydrophobicContact CB-CB 4.28Å; L11-L19 HydrophobicContact CB-CD1 4.43Å; L11-L19 HydrophobicContact CB-CD2 4.27Å; L11-L19 HydrophobicContact CD1-CD1 4.19Å; A12-L19 WeakPolarHBondContact O-CA 3.43Å; R13-L19 HydrophobicContact CB-CD2 3.86Å; L19-H52 WeakPolarHBondContact CD2-ND1 3.18Å; L19-A110 HydrophobicContact CD1-CB 3.74Å
20Y96.8Very high95.9Very high8 Ų839.1 Ų39.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-127.5137.9178.2-65.3-93000109.4L11 A12 W14 D16 L18 R115 S327 P328 L329L11-Y20 WeakPolarHBondContact CA-O 3.24Å; A12-Y20 PolarHBondContact N-O 2.87Å; A12-Y20 PolarHBondContact O-N 2.74Å; W14-Y20 HydrophobicContact CB-CD2 3.6Å; W14-Y20 HydrophobicContact CB-CE2 3.47Å; W14-Y20 VanDerWaalsContact CB-CE2 3.47Å; W14-Y20 HydrophobicContact CG-CD2 4.44Å; W14-Y20 HydrophobicContact CG-CE2 4.2Å; D16-Y20 PolarHBondContact OD2-OH 2.85Å; L18-Y20 HydrophobicContact CB-CE2 3.76Å; Y20-R115 PolarHBondContact OH-NH2 2.88Å; Y20-R115 VanDerWaalsContact OH-NH2 3.08Å; Y20-S327 VanDerWaalsContact OH-CB 3.23Å; Y20-S327 WeakPolarHBondContact OH-CB 3.26Å; Y20-P328 HydrophobicContact CD1-CB 4.11Å; Y20-P328 HydrophobicContact CD1-CG 4.18Å; Y20-P328 HydrophobicContact CG-CG 4.29Å; Y20-L329 HydrophobicContact CD1-CD1 3.79Å; Y20-L329 HydrophobicContact CD1-CG 3.82Å; Y20-L329 HydrophobicContact CE1-CB 3.85Å; Y20-L329 HydrophobicContact CE1-CD1 3.66Å; Y20-L329 HydrophobicContact CE1-CG 3.64Å
21L96.1Very high95.8Very high66 Ų6646.1 Ų46.135%0.34624%0.243SC..EExtended strand (participates in β ladder)trans-69.2136173.1-176.264.3000109.4L11 E39 F54L11-L21 HydrophobicContact CD2-CB 4.43Å; L11-L21 HydrophobicContact CD2-CD1 4.41Å; L21-E39 HydrophobicContact CB-CG 4.3Å; L21-F54 HydrophobicContact CD1-CE2 3.75Å; L21-F54 HydrophobicContact CD1-CZ 3.95Å
22G96.3Very high95.7Very high4 Ų449.5 Ų49.54%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-155.1167173.700000111.9D9 V10 R37D9-G22 WeakPolarHBondContact CA-O 3.43Å; V10-G22 PolarHBondContact N-O 2.89Å; V10-G22 PolarHBondContact O-N 2.78Å; G22-R37 CarbonylContact C-O 3.59Å; G22-R37 WeakPolarHBondContact CA-O 3.16Å
23N96.9Very high95.6Very high34 Ų3450.1 Ų50.118%0.18226%0.261CS..EExtended strand (participates in β ladder)trans-116.7131.5179.4-176.8-98.6000109.8G7 D8 D9 K25 R37G7-N23 PolarHBondContact O-ND2 2.88Å; D8-N23 WeakPolarHBondContact O-CA 3.38Å; D9-N23 PolarHBondContact OD1-ND2 2.96Å; N23-K25 PolarHBondContact O-N 3.12Å; N23-K25 WeakPolarHBondContact OD1-CE 3.46Å; N23-K25 PolarHBondContact OD1-NZ 3Å; N23-R37 PolarHBondContact N-O 2.89Å; N23-R37 PolarHBondContact O-N 3.41Å
24V96.9Very high95.6Very high1 Ų149.2 Ų49.21%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-76.3121.2-175.9178.40000109.8V4 S5 G7 D8 V10 V27 C34V4-V24 HydrophobicContact CG1-CB 4.28Å; V4-V24 HydrophobicContact CG1-CG1 4.21Å; V4-V24 HydrophobicContact CG1-CG2 3.48Å; V4-V24 VanDerWaalsContact CG1-CG2 3.48Å; S5-V24 WeakPolarHBondContact O-CB 3.37Å; S5-V24 WeakPolarHBondContact O-CG1 3.45Å; G7-V24 PolarHBondContact N-O 2.75Å; D8-V24 HydrophobicContact CB-CG2 4.34Å; D8-V24 WeakPolarHBondContact O-CG2 3.31Å; D8-V24 PolarHBondContact O-N 3.44Å; V10-V24 HydrophobicContact CB-CG2 4.5Å; V10-V24 HydrophobicContact CG1-CG2 3.75Å; V10-V24 HydrophobicContact CG2-CG2 3.86Å; V24-V27 HydrophobicContact CG1-CG2 3.83Å; V24-C34 HydrophobicContact CG1-CB 4.09Å
25K97.4Very high95.6Very high70 Ų7049.3 Ų49.330%0.30426%0.26SS..EExtended strand (participates in β ladder)trans-99.3-33179.8-62-50.8-176.3-166.50113.6N23 L35 R37N23-K25 PolarHBondContact O-N 3.12Å; N23-K25 WeakPolarHBondContact OD1-CE 3.46Å; N23-K25 PolarHBondContact OD1-NZ 3Å; K25-L35 HydrophobicContact CB-CD2 4.22Å; K25-L35 HydrophobicContact CB-CG 4.31Å; K25-L35 PolarHBondContact N-O 3.37Å; K25-R37 HydrophobicContact CD-CB 4.38Å; K25-R37 HydrophobicContact CG-CB 3.86Å
26R96.5Very high95.7Very high156 Ų15648.6 Ų48.659%0.58926%0.255SS*.EExtended strand (participates in β ladder)trans-148.8148177.3-61.7-173.3-177.6-177.50.4110.8E6 C34 L35 W45E6-R26 WeakPolarHBondContact OE1-CA 3.2Å; R26-C34 CarbonylContact O-C 3.48Å; R26-C34 WeakPolarHBondContact O-CA 3.36Å; R26-C34 WeakPolarHBondContact O-CB 3.46Å; R26-L35 HydrophobicContact CB-CB 3.91Å; R26-L35 HydrophobicContact CG-CB 4.47Å; R26-L35 HydrophobicContact CG-CD2 4.26Å; R26-L35 PolarHBondContact N-O 2.84Å; R26-L35 PolarHBondContact O-N 3.44Å; R26-W45 HydrophobicContact CB-CH2 4.3Å
27V96.1Very high95.7Very high58 Ų5852 Ų5235%0.35227%0.265SS..EExtended strand (participates in β ladder)trans-116.8125173.5-177.60000109.6E6 V24E6-V27 HydrophobicContact CG-CG2 4.25Å; V24-V27 HydrophobicContact CG1-CG2 3.83Å
28D94.6Very high95.7Very high38 Ų3852 Ų5220%0.20326%0.264CS..EExtended strand (participates in β ladder)trans-108.199.1171.2-173.6-26.2000108.9V30 K31 Q32 C33 W45D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 2.59Å; D28-V30 PolarHBondContact OD1-N 2.56Å; D28-K31 HydrophobicContact CB-CB 4.41Å; D28-K31 PolarHBondContact OD1-N 3.18Å; D28-K31 WeakPolarHBondContact OD2-CD 3.44Å; D28-K31 WeakPolarHBondContact OD2-CG 3.35Å; D28-Q32 WeakPolarHBondContact O-CA 3.03Å; D28-Q32 PolarHBondContact O-N 2.88Å; D28-C33 PolarHBondContact N-O 2.87Å; D28-C33 PolarHBondContact O-N 2.87Å; D28-C33 VanDerWaalsContact O-N 3.12Å; D28-W45 HydrophobicContact CB-CH2 4.2Å; D28-W45 HydrophobicContact CB-CZ3 3.79Å
29G90.4Very high95.6Very high52 Ų5257 Ų5754%0.53629%0.287SS..THydrogen-bonded Turntrans-70.7-20.1179.200000114Q32G29-Q32 PolarHBondContact O-NE2 2.68Å
30V91.4Very high95.5Very high139 Ų13958.6 Ų58.684%0.84230%0.296SS*.THydrogen-bonded Turntrans-80.5-46.3179.11790000109.8D28 Q32D28-V30 VanDerWaalsContact C-N 3.28Å; D28-V30 PolarHBondContact O-N 2.59Å; D28-V30 PolarHBondContact OD1-N 2.56Å; V30-Q32 VanDerWaalsContact C-N 3.29Å
31K91.1Very high95.4Very high148 Ų14864 Ų6464%0.64333%0.325SS*.THydrogen-bonded Turntrans-84.8-2.6178.4-63.5-176.4-172.9166.20113.8D28 C33D28-K31 HydrophobicContact CB-CB 4.41Å; D28-K31 PolarHBondContact OD1-N 3.18Å; D28-K31 WeakPolarHBondContact OD2-CD 3.44Å; D28-K31 WeakPolarHBondContact OD2-CG 3.35Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 2.99Å
32Q93.4Very high95.4Very high117 Ų11762 Ų6255%0.54732%0.317SS..THydrogen-bonded Turntrans53.248.1-178.3-66.6-69.5-5200111.8D28 G29 V30 R48D28-Q32 WeakPolarHBondContact O-CA 3.03Å; D28-Q32 PolarHBondContact O-N 2.88Å; G29-Q32 PolarHBondContact O-NE2 2.68Å; V30-Q32 VanDerWaalsContact C-N 3.29Å; Q32-R48 VanDerWaalsContact O-CB 3.28Å; Q32-R48 WeakPolarHBondContact O-CB 3.15Å; Q32-R48 PolarHBondContact O-N 3.11Å
33C95.1Very high95.5Very high13 Ų1365.7 Ų65.79%0.08833%0.333CS..EExtended strand (participates in β ladder)trans-143.8161.9-179.966.60000112D28 K31 W45 V46 L47D28-C33 PolarHBondContact N-O 2.87Å; D28-C33 PolarHBondContact O-N 2.87Å; D28-C33 VanDerWaalsContact O-N 3.12Å; K31-C33 VanDerWaalsContact C-N 3.3Å; K31-C33 PolarHBondContact O-N 2.99Å; C33-W45 HydrophobicContact CB-CE3 4.3Å; C33-V46 CarbonylContact C-O 3.22Å; C33-V46 VanDerWaalsContact CA-O 3.24Å; C33-V46 WeakPolarHBondContact CA-O 3.47Å; C33-V46 VanDerWaalsContact CB-O 3.29Å; C33-V46 WeakPolarHBondContact CB-O 3.5Å; C33-L47 HydrophobicContact CB-CD2 4.29Å
34C96.6Very high95.5Very high1 Ų166.1 Ų66.11%0.00733%0.333CS..EExtended strand (participates in β ladder)trans-129142.7178.1-51.70000110V24 R26 V36 W45 V46 I51V24-C34 HydrophobicContact CG1-CB 4.09Å; R26-C34 CarbonylContact O-C 3.48Å; R26-C34 WeakPolarHBondContact O-CA 3.36Å; R26-C34 WeakPolarHBondContact O-CB 3.46Å; C34-V36 HydrophobicContact CB-CG2 4.31Å; C34-V36 PolarHBondContact O-N 2.87Å; C34-W45 VanDerWaalsContact C-CE3 3.5Å; C34-W45 CarbonylContact O-C 3.58Å; C34-W45 WeakPolarHBondContact O-CA 3.39Å; C34-V46 PolarHBondContact N-O 3.36Å; C34-V46 PolarHBondContact O-N 3.03Å; C34-I51 HydrophobicContact CB-CD1 3.54Å
35L97.6Very high95.5Very high20 Ų2072 Ų7211%0.10536%0.356CS..EExtended strand (participates in β ladder)trans-78.7114.6167-176.165.8000107.6K25 R26 E43 W45K25-L35 HydrophobicContact CB-CD2 4.22Å; K25-L35 HydrophobicContact CB-CG 4.31Å; K25-L35 PolarHBondContact N-O 3.37Å; R26-L35 HydrophobicContact CB-CB 3.91Å; R26-L35 HydrophobicContact CG-CB 4.47Å; R26-L35 HydrophobicContact CG-CD2 4.26Å; R26-L35 PolarHBondContact N-O 2.84Å; R26-L35 PolarHBondContact O-N 3.44Å; L35-E43 HydrophobicContact CD1-CB 4.14Å; L35-W45 HydrophobicContact CB-CD2 4.25Å; L35-W45 HydrophobicContact CB-CE3 4.18Å; L35-W45 HydrophobicContact CB-CH2 4.2Å; L35-W45 HydrophobicContact CB-CZ2 4.23Å; L35-W45 HydrophobicContact CB-CZ3 4.17Å; L35-W45 HydrophobicContact CD1-CD2 4.35Å; L35-W45 HydrophobicContact CD1-CG 4.38Å
36V97.7Very high95.5Very high0 Ų069 Ų690%034%0.343CS..EExtended strand (participates in β ladder)trans-111.5129.8-178.3-178.10000109.2V10 C34 F38 E43 F44 V46 I51V10-V36 HydrophobicContact CG2-CG1 4.24Å; V10-V36 HydrophobicContact CG2-CG2 4.46Å; C34-V36 HydrophobicContact CB-CG2 4.31Å; C34-V36 PolarHBondContact O-N 2.87Å; V36-F38 HydrophobicContact CB-CE2 4.36Å; V36-F38 HydrophobicContact CB-CZ 4.39Å; V36-F38 HydrophobicContact CG1-CE1 4.34Å; V36-F38 HydrophobicContact CG1-CE2 4.34Å; V36-F38 HydrophobicContact CG1-CZ 4.18Å; V36-E43 WeakPolarHBondContact O-CA 3.45Å; V36-F44 PolarHBondContact N-O 2.89Å; V36-F44 PolarHBondContact O-N 3.1Å; V36-V46 HydrophobicContact CB-CG2 4.09Å; V36-V46 HydrophobicContact CG2-CB 4.15Å; V36-V46 HydrophobicContact CG2-CG2 3.94Å; V36-I51 HydrophobicContact CG2-CD1 4.19Å
37R98.1Very high95.4Very high99 Ų9964 Ų6437%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-94.2122.9169.2-176-178.5-69.7178.1-4.1109.5G22 N23 K25 S42 E43G22-R37 CarbonylContact C-O 3.59Å; G22-R37 WeakPolarHBondContact CA-O 3.16Å; N23-R37 PolarHBondContact N-O 2.89Å; N23-R37 PolarHBondContact O-N 3.41Å; K25-R37 HydrophobicContact CD-CB 4.38Å; K25-R37 HydrophobicContact CG-CB 3.86Å; R37-S42 CarbonylContact C-O 3.53Å; R37-S42 WeakPolarHBondContact CA-O 3.36Å; R37-E43 HydrophobicContact CB-CG 3.98Å; R37-E43 HydrophobicContact CG-CG 4.03Å; R37-E43 IonicContact CZ-OE1 3.66Å; R37-E43 IonicContact NE-OE1 3.66Å; R37-E43 PolarHBondContact NE-OE1 2.91Å; R37-E43 IonicContact NH2-OE1 2.96Å; R37-E43 PolarHBondContact NH2-OE1 3.2Å
38F97.1Very high95.3Very high5 Ų563.2 Ų63.22%0.02232%0.318CS..EExtended strand (participates in β ladder)trans-89.2171.9179-62.8-87.2000112.1A12 W14 V36 D40 N41 S42 F44 V46 P328A12-F38 HydrophobicContact CB-CE1 3.84Å; A12-F38 HydrophobicContact CB-CZ 4.04Å; W14-F38 HydrophobicContact CE3-CZ 4.08Å; W14-F38 HydrophobicContact CZ3-CE2 4.13Å; W14-F38 HydrophobicContact CZ3-CZ 4.07Å; V36-F38 HydrophobicContact CB-CE2 4.36Å; V36-F38 HydrophobicContact CB-CZ 4.39Å; V36-F38 HydrophobicContact CG1-CE1 4.34Å; V36-F38 HydrophobicContact CG1-CE2 4.34Å; V36-F38 HydrophobicContact CG1-CZ 4.18Å; F38-D40 PolarHBondContact O-N 2.93Å; F38-D40 VanDerWaalsContact O-N 3.17Å; F38-N41 WeakPolarHBondContact O-CA 3.28Å; F38-N41 PolarHBondContact O-N 3.39Å; F38-S42 PolarHBondContact N-O 3.1Å; F38-F44 HydrophobicContact CD2-CD2 4.07Å; F38-F44 HydrophobicContact CE2-CB 4.17Å; F38-F44 AromaticContact CE2-CD2 3.86Å; F38-F44 HydrophobicContact CE2-CD2 3.86Å; F38-V46 HydrophobicContact CZ-CG2 4.07Å; F38-P328 HydrophobicContact CB-CB 3.85Å; F38-P328 HydrophobicContact CB-CG 3.9Å; F38-P328 HydrophobicContact CD1-CB 4.32Å; F38-P328 HydrophobicContact CD1-CG 3.67Å; F38-P328 HydrophobicContact CD2-CG 3.96Å; F38-P328 HydrophobicContact CE1-CG 4.13Å; F38-P328 HydrophobicContact CE2-CG 4.44Å; F38-P328 HydrophobicContact CG-CB 4.08Å; F38-P328 HydrophobicContact CG-CG 3.55Å
39E96Very high95.2Very high123 Ų12364.9 Ų64.958%0.57532%0.324SS*.THydrogen-bonded Turntrans-58.1-27.7-179-62.1-178.4125.300114L21 N41L21-E39 HydrophobicContact CB-CG 4.3Å; E39-N41 PolarHBondContact O-N 3.17Å
40D93.4Very high95.4Very high78 Ų7862.5 Ų62.542%0.41730%0.299SS..THydrogen-bonded Turntrans-83.88.2176.473.1-17.5000113.5F38 S42 P328F38-D40 PolarHBondContact O-N 2.93Å; F38-D40 VanDerWaalsContact O-N 3.17Å; D40-S42 PolarHBondContact O-N 2.82Å; D40-S42 WeakPolarHBondContact OD1-CB 3.47Å; D40-S42 PolarHBondContact OD1-N 2.85Å; D40-S42 PolarHBondContact OD1-OG 2.82Å; D40-S42 PolarHBondContact OD2-OG 3.47Å; D40-P328 WeakPolarHBondContact OD2-CA 3.29Å
41N95.3Very high95.5Very high121 Ų12156.3 Ų56.365%0.64726%0.261SS*.SBendtrans65.97.7-173.1-55.5-73.1000115.4F38 E39F38-N41 WeakPolarHBondContact O-CA 3.28Å; F38-N41 PolarHBondContact O-N 3.39Å; E39-N41 PolarHBondContact O-N 3.17Å
42S96.1Very high95.3Very high25 Ų2550.4 Ų50.418%0.17524%0.236CC..  trans-68.7146.1170.568.60000110.7R37 F38 D40 F44R37-S42 CarbonylContact C-O 3.53Å; R37-S42 WeakPolarHBondContact CA-O 3.36Å; F38-S42 PolarHBondContact N-O 3.1Å; D40-S42 PolarHBondContact O-N 2.82Å; D40-S42 WeakPolarHBondContact OD1-CB 3.47Å; D40-S42 PolarHBondContact OD1-N 2.85Å; D40-S42 PolarHBondContact OD1-OG 2.82Å; D40-S42 PolarHBondContact OD2-OG 3.47Å; S42-F44 WeakPolarHBondContact OG-CE2 3.14Å
43E97.3Very high94.8Very high81 Ų8146.1 Ų46.138%0.37922%0.219SC..EExtended strand (participates in β ladder)trans-123.1126.7179.6-66-173.1174.800110.4L35 V36 R37L35-E43 HydrophobicContact CD1-CB 4.14Å; V36-E43 WeakPolarHBondContact O-CA 3.45Å; R37-E43 HydrophobicContact CB-CG 3.98Å; R37-E43 HydrophobicContact CG-CG 4.03Å; R37-E43 IonicContact CZ-OE1 3.66Å; R37-E43 IonicContact NE-OE1 3.66Å; R37-E43 PolarHBondContact NE-OE1 2.91Å; R37-E43 IonicContact NH2-OE1 2.96Å; R37-E43 PolarHBondContact NH2-OE1 3.2Å
44F97.1Very high93.7Very high44 Ų4450.7 Ų50.719%0.19324%0.237CC..EExtended strand (participates in β ladder)trans-141.5146.8178.4-61.3-75.4000111.9W14 V36 F38 S42 V46 R325W14-F44 HydrophobicContact CH2-CB 3.88Å; W14-F44 HydrophobicContact CH2-CD1 4.01Å; W14-F44 AromaticContact CH2-CD2 3.37Å; W14-F44 HydrophobicContact CH2-CD2 3.37Å; W14-F44 HydrophobicContact CH2-CE1 4.36Å; W14-F44 AromaticContact CH2-CE2 3.78Å; W14-F44 HydrophobicContact CH2-CE2 3.78Å; W14-F44 AromaticContact CH2-CG 3.47Å; W14-F44 HydrophobicContact CH2-CG 3.47Å; W14-F44 VanDerWaalsContact CH2-CG 3.47Å; W14-F44 HydrophobicContact CH2-CZ 4.25Å; W14-F44 HydrophobicContact CZ2-CD2 4.26Å; W14-F44 HydrophobicContact CZ2-CE2 4.25Å; W14-F44 HydrophobicContact CZ3-CB 3.88Å; W14-F44 AromaticContact CZ3-CD2 3.86Å; W14-F44 HydrophobicContact CZ3-CD2 3.86Å; W14-F44 AromaticContact CZ3-CG 3.97Å; W14-F44 HydrophobicContact CZ3-CG 3.97Å; V36-F44 PolarHBondContact N-O 2.89Å; V36-F44 PolarHBondContact O-N 3.1Å; F38-F44 HydrophobicContact CD2-CD2 4.07Å; F38-F44 HydrophobicContact CE2-CB 4.17Å; F38-F44 AromaticContact CE2-CD2 3.86Å; F38-F44 HydrophobicContact CE2-CD2 3.86Å; S42-F44 WeakPolarHBondContact OG-CE2 3.14Å; F44-V46 PolarHBondContact O-N 3.08Å; F44-R325 VanDerWaalsContact CD1-NH1 3.33Å; F44-R325 HydrophobicContact CE1-CB 4.42Å; F44-R325 HydrophobicContact CE1-CG 4.32Å
45W96.8Very high91.9Very high124 Ų12454 Ų5447%0.4726%0.264SS..EExtended strand (participates in β ladder)trans-70.9123.9166.6-70.198.7000109.5R26 D28 C33 C34 L35R26-W45 HydrophobicContact CB-CH2 4.3Å; D28-W45 HydrophobicContact CB-CH2 4.2Å; D28-W45 HydrophobicContact CB-CZ3 3.79Å; C33-W45 HydrophobicContact CB-CE3 4.3Å; C34-W45 VanDerWaalsContact C-CE3 3.5Å; C34-W45 CarbonylContact O-C 3.58Å; C34-W45 WeakPolarHBondContact O-CA 3.39Å; L35-W45 HydrophobicContact CB-CD2 4.25Å; L35-W45 HydrophobicContact CB-CE3 4.18Å; L35-W45 HydrophobicContact CB-CH2 4.2Å; L35-W45 HydrophobicContact CB-CZ2 4.23Å; L35-W45 HydrophobicContact CB-CZ3 4.17Å; L35-W45 HydrophobicContact CD1-CD2 4.35Å; L35-W45 HydrophobicContact CD1-CG 4.38Å
46V97Very high89.7Confident8 Ų858 Ų585%0.04830%0.3CS..EExtended strand (participates in β ladder)trans-119.2131.7178.6-175.50000108.1A12 C33 C34 V36 F38 F44 D50 I51A12-V46 HydrophobicContact CB-CG1 4.08Å; A12-V46 HydrophobicContact CB-CG2 4.24Å; C33-V46 CarbonylContact C-O 3.22Å; C33-V46 VanDerWaalsContact CA-O 3.24Å; C33-V46 WeakPolarHBondContact CA-O 3.47Å; C33-V46 VanDerWaalsContact CB-O 3.29Å; C33-V46 WeakPolarHBondContact CB-O 3.5Å; C34-V46 PolarHBondContact N-O 3.36Å; C34-V46 PolarHBondContact O-N 3.03Å; V36-V46 HydrophobicContact CB-CG2 4.09Å; V36-V46 HydrophobicContact CG2-CB 4.15Å; V36-V46 HydrophobicContact CG2-CG2 3.94Å; F38-V46 HydrophobicContact CZ-CG2 4.07Å; F44-V46 PolarHBondContact O-N 3.08Å; V46-D50 HydrophobicContact CG1-CB 3.89Å; V46-I51 HydrophobicContact CB-CD1 4.2Å; V46-I51 HydrophobicContact CB-CG1 4.15Å; V46-I51 HydrophobicContact CG1-CD1 4.3Å; V46-I51 HydrophobicContact CG1-CG1 3.72Å
47L95.8Very high87.4Confident51 Ų5161 Ų6127%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-63.7145.1176.5-65.5175.7000110.3C33 K49 D50 Q154C33-L47 HydrophobicContact CB-CD2 4.29Å; L47-K49 HydrophobicContact CB-CG 4.06Å; L47-K49 PolarHBondContact O-N 3.12Å; L47-D50 WeakPolarHBondContact O-CB 3.46Å; L47-D50 PolarHBondContact O-N 3.39Å; L47-Q154 HydrophobicContact CD1-CB 3.97Å; L47-Q154 HydrophobicContact CD1-CG 4.43Å
48R92.8Very high85.2Confident40 Ų4060.6 Ų60.615%0.15134%0.34CS..G310 helixtrans-58.3-36.3-177.5-178.751.1172.1-102.3-10.9112.8G2 Q32 D50 I51G2-R48 PolarHBondContact O-NH2 3.45Å; Q32-R48 VanDerWaalsContact O-CB 3.28Å; Q32-R48 WeakPolarHBondContact O-CB 3.15Å; Q32-R48 PolarHBondContact O-N 3.11Å; R48-D50 PolarHBondContact O-N 2.83Å; R48-D50 VanDerWaalsContact O-N 3.08Å; R48-I51 PolarHBondContact O-N 2.79Å; R48-I51 VanDerWaalsContact O-N 3.12Å
49K92.6Very high83.4Confident74 Ų7468.4 Ų68.432%0.32238%0.376SS..G310 helixtrans-59-19.5175.470.9176.1-176.763.40114.1L47 Q153 Q154 A160L47-K49 HydrophobicContact CB-CG 4.06Å; L47-K49 PolarHBondContact O-N 3.12Å; K49-Q153 WeakPolarHBondContact CE-O 3.44Å; K49-Q154 WeakPolarHBondContact CE-O 3.41Å; K49-Q154 PolarHBondContact NZ-O 3.38Å; K49-A160 PolarHBondContact NZ-O 2.94Å
50D95.3Very high82.5Confident2 Ų269.2 Ų69.21%0.01138%0.38CS..G310 helixtrans-103.92.7-176.5-65.3-51.5000112.9A12 R13 V46 L47 R48 G161 P162A12-D50 CarbonylContact C-O 3.48Å; A12-D50 WeakPolarHBondContact CA-O 3.46Å; R13-D50 HydrophobicContact CB-CB 4.13Å; R13-D50 PolarHBondContact N-O 3.46Å; R13-D50 IonicContact NH1-OD1 3.31Å; V46-D50 HydrophobicContact CG1-CB 3.89Å; L47-D50 WeakPolarHBondContact O-CB 3.46Å; L47-D50 PolarHBondContact O-N 3.39Å; R48-D50 PolarHBondContact O-N 2.83Å; R48-D50 VanDerWaalsContact O-N 3.08Å; D50-G161 WeakPolarHBondContact OD1-CA 3.1Å; D50-P162 WeakPolarHBondContact OD1-CD 3.42Å
51I93.1Very high82.3Confident9 Ų967.4 Ų67.45%0.04637%0.372CS..EExtended strand (participates in β ladder)trans-104.6127.7178.6-62.4175.6000109.4V4 V10 C34 V36 V46 R48V4-I51 HydrophobicContact CG1-CG2 4.47Å; V4-I51 HydrophobicContact CG2-CG2 3.93Å; V10-I51 HydrophobicContact CB-CG2 3.68Å; V10-I51 HydrophobicContact CG1-CG2 3.65Å; V10-I51 HydrophobicContact CG2-CG2 3.94Å; C34-I51 HydrophobicContact CB-CD1 3.54Å; V36-I51 HydrophobicContact CG2-CD1 4.19Å; V46-I51 HydrophobicContact CB-CD1 4.2Å; V46-I51 HydrophobicContact CB-CG1 4.15Å; V46-I51 HydrophobicContact CG1-CD1 4.3Å; V46-I51 HydrophobicContact CG1-CG1 3.72Å; R48-I51 PolarHBondContact O-N 2.79Å; R48-I51 VanDerWaalsContact O-N 3.12Å
52H88.1Confident82.1Confident24 Ų2461.7 Ų61.711%0.11134%0.341CS..EExtended strand (participates in β ladder)trans-111.8117.3173.2-47.571000107.8V10 L11 R13 L19 Q106V10-H52 WeakPolarHBondContact CA-O 3.36Å; V10-H52 WeakPolarHBondContact CB-O 3.42Å; L11-H52 HydrophobicContact CB-CB 4.22Å; L11-H52 PolarHBondContact N-O 3.41Å; L11-H52 PolarHBondContact O-N 2.92Å; L11-H52 PolarHBondContact O-ND1 2.58Å; R13-H52 VanDerWaalsContact CZ-CE1 3.47Å; R13-H52 PolarHBondContact NH1-CE1 2.96Å; R13-H52 PolarHBondContact NH2-CE1 3.31Å; R13-H52 PolarHBondContact NH2-NE2 2.95Å; L19-H52 WeakPolarHBondContact CD2-ND1 3.18Å; H52-Q106 VanDerWaalsContact CD2-CD 3.48Å
53S82.4Confident81.7Confident27 Ų2761.5 Ų61.519%0.18934%0.34CS..EExtended strand (participates in β ladder)trans-81148175.3-176.50000110.5A55S53-A55 VanDerWaalsContact C-N 3.29Å; S53-A55 WeakPolarHBondContact OG-CB 3.4Å; S53-A55 PolarHBondContact OG-N 2.87Å; S53-A55 VanDerWaalsContact OG-N 3.1Å
54F71.4Confident81.3Confident109 Ų10961.6 Ų61.648%0.47834%0.342SS..  trans-86.5-0.3169.3-58.6-73.7000113D9 L11 L21 A56D9-F54 HydrophobicContact CB-CD2 4.18Å; D9-F54 HydrophobicContact CB-CE2 4.22Å; D9-F54 WeakPolarHBondContact O-CD2 3.38Å; L11-F54 HydrophobicContact CD1-CE1 3.89Å; L11-F54 HydrophobicContact CD1-CZ 4.02Å; L11-F54 HydrophobicContact CD2-CE1 4.46Å; L11-F54 HydrophobicContact CD2-CZ 3.79Å; L11-F54 HydrophobicContact CG-CE1 3.83Å; L11-F54 HydrophobicContact CG-CE2 4.3Å; L11-F54 HydrophobicContact CG-CZ 3.44Å; L11-F54 VanDerWaalsContact CG-CZ 3.44Å; L21-F54 HydrophobicContact CD1-CE2 3.75Å; L21-F54 HydrophobicContact CD1-CZ 3.95Å; F54-A56 PolarHBondContact O-N 3.01Å
55A60Low80.9Confident69 Ų6962.3 Ų62.357%0.5735%0.352SS*.  trans-51.6101.7-171.200000111.4S53S53-A55 VanDerWaalsContact C-N 3.29Å; S53-A55 WeakPolarHBondContact OG-CB 3.4Å; S53-A55 PolarHBondContact OG-N 2.87Å; S53-A55 VanDerWaalsContact OG-N 3.1Å
56A49.4Very low80.5Confident104 Ų10460.3 Ų60.386%0.8635%0.35SS*.  trans-69.9124.4165.500000106.9F54F54-A56 PolarHBondContact O-N 3.01Å
57G49.5Very low80.1Confident63 Ų6361.6 Ų61.665%0.64936%0.362SS*.  trans116.271.8173.100000113.2
58V52.1Low79.9Confident92 Ų9263 Ų6356%0.55837%0.374SS*.  -148.199.8105-168.60000105.2E60 V61V58-E60 HydrophobicContact CG1-CB 4.07Å; V58-E60 PolarHBondContact O-N 2.86Å; V58-V61 HydrophobicContact CB-CG2 3.92Å; V58-V61 HydrophobicContact CG1-CG1 4.11Å; V58-V61 HydrophobicContact CG1-CG2 4.18Å
59E60Low79.6Confident169 Ų16963.7 Ų63.779%0.7938%0.384SS*.THydrogen-bonded Turntrans-64.56.7176.9-68.6-174.1155.400113
60E78.1Confident79.1Confident140 Ų14066.4 Ų66.465%0.65440%0.401SS*.THydrogen-bonded Turntrans-124.910.4-168.6-54.6-171.715800114.2V58 P68 P69V58-E60 HydrophobicContact CG1-CB 4.07Å; V58-E60 PolarHBondContact O-N 2.86Å; E60-P68 WeakPolarHBondContact O-CA 3.19Å; E60-P69 WeakPolarHBondContact O-CD 3.21Å
61V88.4Confident78.5Confident40 Ų4076.4 Ų76.424%0.24245%0.445CS..SBendtrans-134.3148.5175-59.30000112.7V58 C63 A67V58-V61 HydrophobicContact CB-CG2 3.92Å; V58-V61 HydrophobicContact CG1-CG1 4.11Å; V58-V61 HydrophobicContact CG1-CG2 4.18Å; V61-C63 PolarHBondContact O-N 3.23Å; V61-A67 WeakPolarHBondContact CA-O 3.45Å
62C90Very high78Confident0 Ų082.5 Ų82.50%047%0.473CS..BIsolated β-bridgetrans-69.7127174.6175.20000110.6I64 C65 D66 A67 L74 G83 H85C62-I64 PolarHBondContact O-N 3.13Å; C62-I64 VanDerWaalsContact O-N 3.1Å; C62-I64 PolarHBondContact SG-N 2.98Å; C62-C65 VanDerWaalsContact CB-SG 3.57Å; C62-D66 VanDerWaalsContact O-CA 3.31Å; C62-D66 WeakPolarHBondContact O-CA 3.49Å; C62-D66 PolarHBondContact O-N 3.01Å; C62-A67 PolarHBondContact N-O 2.84Å; C62-L74 HydrophobicContact CB-CD2 3.89Å; C62-G83 WeakPolarHBondContact CA-O 3.42Å; C62-H85 VanDerWaalsContact CB-CE1 3.45Å; C62-H85 WeakPolarHBondContact CB-CE1 3.36Å; C62-H85 WeakPolarHBondContact CB-ND1 3.31Å; C62-H85 PolarHBondContact SG-N 2.92Å
63C87.7Confident77.9Confident22 Ų2286.4 Ų86.415%0.14950%0.5CS..THydrogen-bonded Turntrans-66.6-15.2-177.665.20000114.6M1 V61 H82 G83 Y84M1-C63 WeakPolarHBondContact CG-O 3.42Å; M1-C63 PolarHBondContact N-O 3.43Å; V61-C63 PolarHBondContact O-N 3.23Å; C63-H82 HydrophobicContact CB-CB 4.12Å; C63-G83 PolarHBondContact N-O 2.88Å; C63-G83 PolarHBondContact SG-O 2.94Å; C63-G83 VanDerWaalsContact SG-O 3.38Å; C63-Y84 VanDerWaalsContact SG-CD1 3.57Å; C63-Y84 WeakPolarHBondContact SG-CE1 3.45Å
64I89.1Confident78.2Confident82 Ų8286 Ų8642%0.42150%0.496SS..THydrogen-bonded Turntrans-87.1-53.1178.6-57.2-60.4000111.4C62 Y84 C88C62-I64 PolarHBondContact O-N 3.13Å; C62-I64 VanDerWaalsContact O-N 3.1Å; C62-I64 PolarHBondContact SG-N 2.98Å; I64-Y84 HydrophobicContact CD1-CD1 4.47Å; I64-Y84 HydrophobicContact CD1-CE1 4.11Å; I64-Y84 HydrophobicContact CG1-CD1 3.93Å; I64-Y84 HydrophobicContact CG1-CE1 4.07Å; I64-C88 HydrophobicContact CB-CB 3.94Å; I64-C88 HydrophobicContact CG1-CB 4.22Å; I64-C88 HydrophobicContact CG2-CB 4.15Å
65C90.3Very high79.1Confident60 Ų6082.1 Ų82.141%0.40548%0.48SS..THydrogen-bonded Turntrans-104.4-4.6-172.566.60000114.9C62 A67 H85C62-C65 VanDerWaalsContact CB-SG 3.57Å; C65-A67 PolarHBondContact O-N 3.05Å; C65-A67 VanDerWaalsContact O-N 3.11Å; C65-H85 PolarHBondContact SG-ND1 2.84Å; C65-H85 VanDerWaalsContact SG-ND1 3.39Å
66D87.1Confident80.5Confident81 Ų8182.1 Ų82.143%0.43347%0.47SS..  trans58.813.3-174.3-65.6-50.3000115.4M1 C62M1-D66 PolarHBondContact N-OD1 3.27Å; M1-D66 PolarHBondContact N-OD2 3.26Å; C62-D66 VanDerWaalsContact O-CA 3.31Å; C62-D66 WeakPolarHBondContact O-CA 3.49Å; C62-D66 PolarHBondContact O-N 3.01Å
67A89.6Confident82.5Confident35 Ų3577.1 Ų77.129%0.28943%0.429SS..PPolyproline II helixtrans-88.8149176.900000111.4V61 C62 C65V61-A67 WeakPolarHBondContact CA-O 3.45Å; C62-A67 PolarHBondContact N-O 2.84Å; C65-A67 PolarHBondContact O-N 3.05Å; C65-A67 VanDerWaalsContact O-N 3.11Å
68P90.1Very high84.5Confident82 Ų8278 Ų7853%0.53242%0.418SS..PPolyproline II helixtrans-64.4168.5171.728.8-35.6000112.1E60 H85E60-P68 WeakPolarHBondContact O-CA 3.19Å; P68-H85 PolarHBondContact O-CE1 3.04Å; P68-H85 PolarHBondContact O-NE2 3.2Å
69P86.4Confident86.3Confident54 Ų5478.8 Ų78.835%0.35141%0.414SS..PPolyproline II helixtrans-50.4143.9168.7-13.313.1000111.4E60 L74E60-P69 WeakPolarHBondContact O-CD 3.21Å; P69-L74 HydrophobicContact CB-CG 4.27Å; P69-L74 HydrophobicContact CG-CD1 4.19Å; P69-L74 HydrophobicContact CG-CG 3.97Å
70L83.1Confident87.7Confident131 Ų13172.6 Ų72.669%0.68639%0.389SS*.  trans-86.8-123.7173.5-65.1176.2000109.1
71K81.6Confident88.2Confident212 Ų21272 Ų7292%0.92239%0.386SS*.SBendtrans-75.4-30.7171.7-72.4-176.2178.5179.40112.7
72E82.9Confident88.1Confident136 Ų13672.9 Ų72.964%0.63639%0.387SS*.SBendtrans-103.5146.9-178.5-67.7179.4-170.800110.4
73P86.3Confident88.1Confident106 Ų10673.2 Ų73.269%0.68839%0.391SS*.PPolyproline II helixtrans-65.4155.617729.3-35.1000111.2
74L89.5Confident88.3Confident19 Ų1972.3 Ų72.310%0.09938%0.384CS..PPolyproline II helixtrans-67.2144.3171.1-62.8173.8000110.3C62 P69C62-L74 HydrophobicContact CB-CD2 3.89Å; P69-L74 HydrophobicContact CB-CG 4.27Å; P69-L74 HydrophobicContact CG-CD1 4.19Å; P69-L74 HydrophobicContact CG-CG 3.97Å
75I90.3Very high88.5Confident27 Ų2768.9 Ų68.914%0.13837%0.366CS..EExtended strand (participates in β ladder)trans-90.4119172.5-58.9178.4000108.3Y84 P86 I93 W102I75-Y84 PolarHBondContact N-O 3.49Å; I75-Y84 PolarHBondContact O-N 3.22Å; I75-P86 HydrophobicContact CD1-CG 4Å; I75-I93 HydrophobicContact CB-CD1 3.97Å; I75-I93 HydrophobicContact CD1-CB 3.97Å; I75-I93 HydrophobicContact CD1-CD1 4.11Å; I75-I93 HydrophobicContact CD1-CG2 3.52Å; I75-I93 HydrophobicContact CG2-CD1 4.19Å; I75-I93 HydrophobicContact CG2-CG2 4.45Å; I75-W102 HydrophobicContact CG2-CD2 4.21Å; I75-W102 HydrophobicContact CG2-CE3 3.9Å; I75-W102 HydrophobicContact CG2-CZ3 4.4Å
76N89.8Confident88.6Confident69 Ų6967.1 Ų67.137%0.36935%0.354SS..EExtended strand (participates in β ladder)trans-89.5135.4-177.7-67.6-23.1000111.1L78 H82 G83N76-L78 PolarHBondContact O-N 2.99Å; N76-H82 WeakPolarHBondContact CA-O 3.16Å; N76-G83 WeakPolarHBondContact OD1-CA 3.49Å
77C91Very high88.8Confident0 Ų068.6 Ų68.60%036%0.359CS..PPolyproline II helixtrans-71.3128.6173.21780000111.2K79 C80 H81 H82 Y84 W102 C104C77-K79 PolarHBondContact O-N 2.9Å; C77-K79 PolarHBondContact SG-N 3.08Å; C77-K79 VanDerWaalsContact SG-N 3.36Å; C77-C80 VanDerWaalsContact CB-SG 3.57Å; C77-H81 WeakPolarHBondContact O-CA 3.22Å; C77-H81 PolarHBondContact O-N 3.41Å; C77-H82 PolarHBondContact N-O 2.77Å; C77-Y84 HydrophobicContact CB-CE2 4.2Å; C77-W102 HydrophobicContact CB-CE3 4.21Å; C77-W102 HydrophobicContact CB-CZ3 3.84Å; C77-C104 HydrophobicContact CB-CB 3.94Å; C77-C104 PolarHBondContact SG-N 2.99Å; C77-C104 VanDerWaalsContact SG-SG 3.68Å
78L90.9Very high89Confident80 Ų8068.5 Ų68.542%0.41936%0.356SS..THydrogen-bonded Turntrans-56.4-23.8176.1-17864.5000114.3N76 D100 W102N76-L78 PolarHBondContact O-N 2.99Å; L78-D100 WeakPolarHBondContact CD1-O 3.25Å; L78-D100 WeakPolarHBondContact CD2-O 3.47Å; L78-W102 WeakPolarHBondContact CB-O 3.49Å; L78-W102 PolarHBondContact N-O 2.96Å
79K90.2Very high89.3Confident110 Ų11065 Ų6548%0.47833%0.332SS..THydrogen-bonded Turntrans-96.1-42.9-176.1-80-146.9170.8-690115.1C77 I103 C107 V111 F124C77-K79 PolarHBondContact O-N 2.9Å; C77-K79 PolarHBondContact SG-N 3.08Å; C77-K79 VanDerWaalsContact SG-N 3.36Å; K79-I103 HydrophobicContact CB-CG2 4.49Å; K79-I103 HydrophobicContact CD-CG2 4.48Å; K79-I103 HydrophobicContact CG-CD1 4.42Å; K79-I103 HydrophobicContact CG-CG2 4.23Å; K79-C107 HydrophobicContact CB-CB 3.86Å; K79-C107 VanDerWaalsContact CB-SG 3.54Å; K79-C107 HydrophobicContact CD-CB 4.2Å; K79-C107 HydrophobicContact CG-CB 4.42Å; K79-V111 HydrophobicContact CD-CG2 4.38Å; K79-F124 HydrophobicContact CD-CZ 4.37Å
80C88.9Confident89.7Confident38 Ų3864.5 Ų64.526%0.25733%0.328SS..THydrogen-bonded Turntrans-114.8-1.8-174.666.10000113.1C77 H82 C107C77-C80 VanDerWaalsContact CB-SG 3.57Å; C80-H82 WeakPolarHBondContact CB-ND1 3.41Å; C80-H82 PolarHBondContact O-N 3.47Å; C80-H82 PolarHBondContact O-ND1 2.93Å; C80-H82 VanDerWaalsContact O-ND1 3.13Å; C80-H82 PolarHBondContact SG-ND1 2.98Å; C80-C107 VanDerWaalsContact SG-SG 3.69Å
81H88.5Confident90.3Very high128 Ų12859.2 Ų59.259%0.59330%0.302SS*.  trans57.47.8-179.9-56.1-71000115.8C77C77-H81 WeakPolarHBondContact O-CA 3.22Å; C77-H81 PolarHBondContact O-N 3.41Å
82H87.8Confident90.9Very high58 Ų5853.4 Ų53.427%0.26928%0.284SS..  trans-67.4136.8172.4-69.388.2000110.7C63 N76 C77 C80 Y84C63-H82 HydrophobicContact CB-CB 4.12Å; N76-H82 WeakPolarHBondContact CA-O 3.16Å; C77-H82 PolarHBondContact N-O 2.77Å; C80-H82 WeakPolarHBondContact CB-ND1 3.41Å; C80-H82 PolarHBondContact O-N 3.47Å; C80-H82 PolarHBondContact O-ND1 2.93Å; C80-H82 VanDerWaalsContact O-ND1 3.13Å; C80-H82 PolarHBondContact SG-ND1 2.98Å; H82-Y84 HydrophobicContact CB-CE2 3.88Å; H82-Y84 VanDerWaalsContact O-CD2 3.25Å; H82-Y84 WeakPolarHBondContact O-CD2 3.07Å; H82-Y84 WeakPolarHBondContact O-CE2 3.46Å
83G89.9Confident91.3Very high7 Ų747.2 Ų47.27%0.07226%0.255CS..EExtended strand (participates in β ladder)trans-85.1144.4175.100000113.3C62 C63 N76C62-G83 WeakPolarHBondContact CA-O 3.42Å; C63-G83 PolarHBondContact N-O 2.88Å; C63-G83 PolarHBondContact SG-O 2.94Å; C63-G83 VanDerWaalsContact SG-O 3.38Å; N76-G83 WeakPolarHBondContact OD1-CA 3.49Å
84Y91.5Very high91.3Very high4 Ų448 Ų482%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-133.4135.5179.1-62.6-98.4000110.3C63 I64 I75 C77 H82 H89 W102 C104C63-Y84 VanDerWaalsContact SG-CD1 3.57Å; C63-Y84 WeakPolarHBondContact SG-CE1 3.45Å; I64-Y84 HydrophobicContact CD1-CD1 4.47Å; I64-Y84 HydrophobicContact CD1-CE1 4.11Å; I64-Y84 HydrophobicContact CG1-CD1 3.93Å; I64-Y84 HydrophobicContact CG1-CE1 4.07Å; I75-Y84 PolarHBondContact N-O 3.49Å; I75-Y84 PolarHBondContact O-N 3.22Å; C77-Y84 HydrophobicContact CB-CE2 4.2Å; H82-Y84 HydrophobicContact CB-CE2 3.88Å; H82-Y84 VanDerWaalsContact O-CD2 3.25Å; H82-Y84 WeakPolarHBondContact O-CD2 3.07Å; H82-Y84 WeakPolarHBondContact O-CE2 3.46Å; Y84-H89 HydrophobicContact CD1-CB 4.24Å; Y84-H89 AromaticContact CD1-CD2 3.94Å; Y84-W102 HydrophobicContact CD1-CH2 4.5Å; Y84-W102 AromaticContact CD2-CH2 3.57Å; Y84-W102 HydrophobicContact CD2-CH2 3.57Å; Y84-W102 AromaticContact CD2-CZ3 3.59Å; Y84-W102 HydrophobicContact CD2-CZ3 3.59Å; Y84-W102 AromaticContact CE2-CH2 3.92Å; Y84-W102 HydrophobicContact CE2-CH2 3.92Å; Y84-W102 AromaticContact CE2-CZ3 3.92Å; Y84-W102 HydrophobicContact CE2-CZ3 3.92Å; Y84-W102 AromaticContact CG-CH2 3.91Å; Y84-W102 HydrophobicContact CG-CH2 3.91Å; Y84-W102 HydrophobicContact CG-CZ3 4.33Å; Y84-C104 HydrophobicContact CE1-CB 4.39Å; Y84-C104 HydrophobicContact CE2-CB 3.64Å; Y84-C104 WeakPolarHBondContact OH-CB 3.16Å; Y84-C104 PolarHBondContact OH-SG 2.96Å; Y84-C104 VanDerWaalsContact OH-SG 3.36Å
85H92.1Very high90.3Very high9 Ų952.9 Ų52.94%0.04228%0.282CS..  trans-67140.9155.4-60.4106.9000108.6C62 C65 P68 E87 C88 H89C62-H85 VanDerWaalsContact CB-CE1 3.45Å; C62-H85 WeakPolarHBondContact CB-CE1 3.36Å; C62-H85 WeakPolarHBondContact CB-ND1 3.31Å; C62-H85 PolarHBondContact SG-N 2.92Å; C65-H85 PolarHBondContact SG-ND1 2.84Å; C65-H85 VanDerWaalsContact SG-ND1 3.39Å; P68-H85 PolarHBondContact O-CE1 3.04Å; P68-H85 PolarHBondContact O-NE2 3.2Å; H85-E87 WeakPolarHBondContact CB-OE1 3.47Å; H85-E87 IonicContact CG-OE1 3.14Å; H85-E87 PolarHBondContact O-N 3.34Å; H85-C88 HydrophobicContact CB-CB 4.02Å; H85-C88 PolarHBondContact O-N 2.86Å; H85-H89 PolarHBondContact O-N 3.5Å
86P92.2Very high89.1Confident23 Ų2359.6 Ų59.615%0.14931%0.313CS..G310 helixtrans-50.9-42.7-179.9-28.635.3000113.7I75 T92 I93I75-P86 HydrophobicContact CD1-CG 4Å; P86-T92 WeakPolarHBondContact O-CA 3.5Å; P86-T92 WeakPolarHBondContact O-CG2 3.33Å; P86-I93 HydrophobicContact CB-CB 4.21Å; P86-I93 PolarHBondContact O-N 2.96Å
87E93.1Very high88Confident113 Ų11357.9 Ų57.953%0.52831%0.308SS..G310 helixtrans-77.4-20.8-17970.4-77.7-177.800114.3H85H85-E87 WeakPolarHBondContact CB-OE1 3.47Å; H85-E87 IonicContact CG-OE1 3.14Å; H85-E87 PolarHBondContact O-N 3.34Å
88C93.5Very high86.9Confident33 Ų3362.2 Ų62.222%0.22333%0.332CS..G310 helixtrans-78.4-22.2177.5-77.70000112.6I64 H85I64-C88 HydrophobicContact CB-CB 3.94Å; I64-C88 HydrophobicContact CG1-CB 4.22Å; I64-C88 HydrophobicContact CG2-CB 4.15Å; H85-C88 HydrophobicContact CB-CB 4.02Å; H85-C88 PolarHBondContact O-N 2.86Å
89H95.1Very high85.6Confident9 Ų961.6 Ų61.64%0.04233%0.334CS..SBendtrans-83.3152178.4-173.8-92.5000111.7Y84 H85 P91 T92 I93 W102 R105Y84-H89 HydrophobicContact CD1-CB 4.24Å; Y84-H89 AromaticContact CD1-CD2 3.94Å; H85-H89 PolarHBondContact O-N 3.5Å; H89-P91 CarbonylContact C-O 3.56Å; H89-P91 PolarHBondContact ND1-O 3.36Å; H89-P91 CarbonylContact O-C 3.59Å; H89-P91 VanDerWaalsContact O-C 3.22Å; H89-T92 PolarHBondContact O-N 3.36Å; H89-I93 HydrophobicContact CB-CD1 3.91Å; H89-I93 HydrophobicContact CB-CG1 3.65Å; H89-W102 AromaticContact CD2-CH2 3.7Å; H89-W102 AromaticContact CD2-CZ2 3.59Å; H89-W102 AromaticContact CE1-CZ2 3.72Å; H89-W102 AromaticContact CG-CZ2 3.74Å; H89-W102 AromaticContact ND1-CZ2 3.79Å; H89-W102 AromaticContact NE2-CH2 3.99Å; H89-W102 AromaticContact NE2-CZ2 3.6Å; H89-R105 WeakPolarHBondContact NE2-CB 3.22Å; H89-R105 PolarHBondContact NE2-N 2.99Å
90T95.8Very high84.7Confident42 Ų4262.2 Ų62.226%0.25834%0.343SS..SBendtrans-123.3116.7176.4-60.20000112R105 R134 P136T90-R105 PolarHBondContact O-NH1 3.21Å; T90-R134 HydrophobicContact CG2-CB 3.67Å; T90-P136 HydrophobicContact CG2-CB 4.34Å
91P95.1Very high84.6Confident21 Ų2162.6 Ų62.614%0.13635%0.345CS..SBendcis-67.2163.5-5.231.2-34.8000112.2H89 I93 F130 M131 R134H89-P91 CarbonylContact C-O 3.56Å; H89-P91 PolarHBondContact ND1-O 3.36Å; H89-P91 CarbonylContact O-C 3.59Å; H89-P91 VanDerWaalsContact O-C 3.22Å; P91-I93 PolarHBondContact O-N 3.24Å; P91-F130 HydrophobicContact CB-CE1 4.48Å; P91-F130 HydrophobicContact CG-CD1 3.99Å; P91-F130 HydrophobicContact CG-CE1 3.33Å; P91-F130 HydrophobicContact CG-CZ 3.77Å; P91-M131 WeakPolarHBondContact CD-SD 3.33Å; P91-M131 HydrophobicContact CG-SD 4.37Å; P91-R134 HydrophobicContact CB-CG 4.11Å
92T94.4Very high84.8Confident90 Ų9057.8 Ų57.855%0.55232%0.322SS*.PPolyproline II helixtrans-49.7139175.2-540000110.9P86 H89P86-T92 WeakPolarHBondContact O-CA 3.5Å; P86-T92 WeakPolarHBondContact O-CG2 3.33Å; H89-T92 PolarHBondContact O-N 3.36Å
93I92.5Very high85.1Confident6 Ų655.4 Ų55.43%0.03131%0.311CS..PPolyproline II helixtrans-74.8128.2177.4-46.1178000108.2I75 P86 H89 P91 A97 W102I75-I93 HydrophobicContact CB-CD1 3.97Å; I75-I93 HydrophobicContact CD1-CB 3.97Å; I75-I93 HydrophobicContact CD1-CD1 4.11Å; I75-I93 HydrophobicContact CD1-CG2 3.52Å; I75-I93 HydrophobicContact CG2-CD1 4.19Å; I75-I93 HydrophobicContact CG2-CG2 4.45Å; P86-I93 HydrophobicContact CB-CB 4.21Å; P86-I93 PolarHBondContact O-N 2.96Å; H89-I93 HydrophobicContact CB-CD1 3.91Å; H89-I93 HydrophobicContact CB-CG1 3.65Å; P91-I93 PolarHBondContact O-N 3.24Å; I93-A97 HydrophobicContact CG2-CB 3.97Å; I93-W102 HydrophobicContact CD1-CD2 4.45Å; I93-W102 HydrophobicContact CD1-CH2 3.57Å; I93-W102 HydrophobicContact CD1-CZ2 3.39Å; I93-W102 HydrophobicContact CD1-CZ3 4.18Å; I93-W102 HydrophobicContact CG1-CH2 4.35Å; I93-W102 HydrophobicContact CG1-CZ2 3.68Å
94E86.1Confident85.3Confident123 Ų12355 Ų5558%0.57531%0.308SS*.PPolyproline II helixtrans-72.7139.9176.7-69.5179.517200110.4E96 A97E94-E96 VanDerWaalsContact C-N 3.25Å; E94-E96 PolarHBondContact O-N 3.45Å; E94-A97 WeakPolarHBondContact O-CB 3.4Å; E94-A97 PolarHBondContact O-N 3.35Å
95P68.3Low85.6Confident120 Ų12055.9 Ų55.978%0.77931%0.311SS*.THydrogen-bonded Turntrans-61.2-28.9-177.2-23.133.4000114.3A97P95-A97 VanDerWaalsContact C-N 3.26Å; P95-A97 PolarHBondContact O-N 3.01Å
96E65.6Low85.7Confident168 Ų16858.7 Ų58.779%0.78532%0.324SS*.THydrogen-bonded Turntrans-84.14.5175.9-52.4101.1175.200113.7E94 D98E94-E96 VanDerWaalsContact C-N 3.25Å; E94-E96 PolarHBondContact O-N 3.45Å; E96-D98 PolarHBondContact O-N 3.06Å
97A64.9Low85.8Confident33 Ų3358.5 Ų58.527%0.27332%0.323SS..SBendtrans-6611217600000109.7I93 E94 P95 S99I93-A97 HydrophobicContact CG2-CB 3.97Å; E94-A97 WeakPolarHBondContact O-CB 3.4Å; E94-A97 PolarHBondContact O-N 3.35Å; P95-A97 VanDerWaalsContact C-N 3.26Å; P95-A97 PolarHBondContact O-N 3.01Å; A97-S99 PolarHBondContact O-N 3.45Å
98D67.8Low86Confident91 Ų9153.1 Ų53.149%0.48730%0.298SS..  trans-54.6112173.717612.4000109.8E96 D100 S101 W102E96-D98 PolarHBondContact O-N 3.06Å; D98-D100 PolarHBondContact O-N 3.43Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D98-D100 WeakPolarHBondContact OD1-CB 3.5Å; D98-D100 PolarHBondContact OD1-N 2.98Å; D98-S101 PolarHBondContact O-N 2.75Å; D98-S101 PolarHBondContact O-OG 3.23Å; D98-S101 VanDerWaalsContact O-OG 3.1Å; D98-W102 PolarHBondContact O-N 3.25Å; D98-W102 VanDerWaalsContact O-N 3.1Å
99S64Low86.2Confident67 Ų6752 Ų5247%0.46929%0.289SS..THydrogen-bonded Turntrans-55-29.5-17951.90000111.8A97 S101A97-S99 PolarHBondContact O-N 3.45Å; S99-S101 PolarHBondContact O-N 3.29Å
100D71.3Confident86.2Confident124 Ų12453.7 Ų53.766%0.66331%0.305SS*.THydrogen-bonded Turntrans-81.5-5.3-177.4-64-11.2000112.5L78 D98L78-D100 WeakPolarHBondContact CD1-O 3.25Å; L78-D100 WeakPolarHBondContact CD2-O 3.47Å; D98-D100 PolarHBondContact O-N 3.43Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D98-D100 WeakPolarHBondContact OD1-CB 3.5Å; D98-D100 PolarHBondContact OD1-N 2.98Å
101S86.4Confident86.3Confident45 Ų4554 Ų5432%0.31531%0.306SS..THydrogen-bonded Turntrans-121-18-179.684.50000113.7D98 S99 R123D98-S101 PolarHBondContact O-N 2.75Å; D98-S101 PolarHBondContact O-OG 3.23Å; D98-S101 VanDerWaalsContact O-OG 3.1Å; S99-S101 PolarHBondContact O-N 3.29Å; S101-R123 PolarHBondContact O-NH2 2.66Å
102W93.7Very high86.5Confident28 Ų2853 Ų5311%0.10630%0.3CS..  trans-71.2138.8-170.7-177.186.9000113.4I75 C77 L78 Y84 H89 I93 D98 C104I75-W102 HydrophobicContact CG2-CD2 4.21Å; I75-W102 HydrophobicContact CG2-CE3 3.9Å; I75-W102 HydrophobicContact CG2-CZ3 4.4Å; C77-W102 HydrophobicContact CB-CE3 4.21Å; C77-W102 HydrophobicContact CB-CZ3 3.84Å; L78-W102 WeakPolarHBondContact CB-O 3.49Å; L78-W102 PolarHBondContact N-O 2.96Å; Y84-W102 HydrophobicContact CD1-CH2 4.5Å; Y84-W102 AromaticContact CD2-CH2 3.57Å; Y84-W102 HydrophobicContact CD2-CH2 3.57Å; Y84-W102 AromaticContact CD2-CZ3 3.59Å; Y84-W102 HydrophobicContact CD2-CZ3 3.59Å; Y84-W102 AromaticContact CE2-CH2 3.92Å; Y84-W102 HydrophobicContact CE2-CH2 3.92Å; Y84-W102 AromaticContact CE2-CZ3 3.92Å; Y84-W102 HydrophobicContact CE2-CZ3 3.92Å; Y84-W102 AromaticContact CG-CH2 3.91Å; Y84-W102 HydrophobicContact CG-CH2 3.91Å; Y84-W102 HydrophobicContact CG-CZ3 4.33Å; H89-W102 AromaticContact CD2-CH2 3.7Å; H89-W102 AromaticContact CD2-CZ2 3.59Å; H89-W102 AromaticContact CE1-CZ2 3.72Å; H89-W102 AromaticContact CG-CZ2 3.74Å; H89-W102 AromaticContact ND1-CZ2 3.79Å; H89-W102 AromaticContact NE2-CH2 3.99Å; H89-W102 AromaticContact NE2-CZ2 3.6Å; I93-W102 HydrophobicContact CD1-CD2 4.45Å; I93-W102 HydrophobicContact CD1-CH2 3.57Å; I93-W102 HydrophobicContact CD1-CZ2 3.39Å; I93-W102 HydrophobicContact CD1-CZ3 4.18Å; I93-W102 HydrophobicContact CG1-CH2 4.35Å; I93-W102 HydrophobicContact CG1-CZ2 3.68Å; D98-W102 PolarHBondContact O-N 3.25Å; D98-W102 VanDerWaalsContact O-N 3.1Å; W102-C104 HydrophobicContact CH2-CB 3.44Å; W102-C104 VanDerWaalsContact CH2-CB 3.44Å; W102-C104 HydrophobicContact CZ2-CB 4.15Å; W102-C104 HydrophobicContact CZ3-CB 3.77Å
103I94.3Very high86.6Confident7 Ų749 Ų494%0.03628%0.276CS..  trans-127.7124.1-179.9-53.9179.1000109K79 C107 V108 F124 L127K79-I103 HydrophobicContact CB-CG2 4.49Å; K79-I103 HydrophobicContact CD-CG2 4.48Å; K79-I103 HydrophobicContact CG-CD1 4.42Å; K79-I103 HydrophobicContact CG-CG2 4.23Å; I103-C107 HydrophobicContact CG2-CB 3.5Å; I103-C107 VanDerWaalsContact CG2-CB 3.5Å; I103-V108 HydrophobicContact CB-CG2 4.18Å; I103-V108 HydrophobicContact CG2-CG2 3.87Å; I103-F124 HydrophobicContact CD1-CE1 3.7Å; I103-F124 HydrophobicContact CD1-CZ 3.6Å; I103-F124 HydrophobicContact CG2-CE1 4.31Å; I103-L127 HydrophobicContact CD1-CD1 4.47Å
104C94.4Very high86.9Confident0 Ų053.5 Ų53.50%030%0.295CS..  trans-65.4159.7-179.276.20000112.4C77 Y84 W102 Q106 C107 V108C77-C104 HydrophobicContact CB-CB 3.94Å; C77-C104 PolarHBondContact SG-N 2.99Å; C77-C104 VanDerWaalsContact SG-SG 3.68Å; Y84-C104 HydrophobicContact CE1-CB 4.39Å; Y84-C104 HydrophobicContact CE2-CB 3.64Å; Y84-C104 WeakPolarHBondContact OH-CB 3.16Å; Y84-C104 PolarHBondContact OH-SG 2.96Å; Y84-C104 VanDerWaalsContact OH-SG 3.36Å; W102-C104 HydrophobicContact CH2-CB 3.44Å; W102-C104 VanDerWaalsContact CH2-CB 3.44Å; W102-C104 HydrophobicContact CZ2-CB 4.15Å; W102-C104 HydrophobicContact CZ3-CB 3.77Å; C104-Q106 PolarHBondContact O-N 2.88Å; C104-C107 PolarHBondContact O-N 3.15Å; C104-C107 PolarHBondContact SG-N 3.27Å; C104-V108 WeakPolarHBondContact O-CG2 3.5Å; C104-V108 PolarHBondContact O-N 2.65Å
105R96.6Very high87.4Confident22 Ų2253.5 Ų53.58%0.08329%0.289CS..Hα-helixtrans-49.8-45.3177.2-175.5-173.4-165.982.31.6112.2H89 T90 V108 F109 M131 R134 Y158H89-R105 WeakPolarHBondContact NE2-CB 3.22Å; H89-R105 PolarHBondContact NE2-N 2.99Å; T90-R105 PolarHBondContact O-NH1 3.21Å; R105-V108 PolarHBondContact O-N 3.13Å; R105-F109 HydrophobicContact CG-CD2 3.88Å; R105-F109 HydrophobicContact CG-CE2 3.95Å; R105-F109 VanDerWaalsContact O-CD2 3.31Å; R105-F109 WeakPolarHBondContact O-CD2 3.27Å; R105-F109 PolarHBondContact O-N 3.1Å; R105-M131 HydrophobicContact CB-SD 3.97Å; R105-M131 HydrophobicContact CG-SD 4.3Å; R105-M131 PolarHBondContact NH1-O 3.19Å; R105-M131 PolarHBondContact NH2-O 2.76Å; R105-R134 PolarHBondContact NH1-O 3.1Å; R105-R134 PolarHBondContact NH2-O 3.02Å; R105-Y158 PolarHBondContact NE-O 3.47Å; R105-Y158 PolarHBondContact NH2-O 3.38Å
106Q94.1Very high88.8Confident67 Ų6748.7 Ų48.731%0.31326%0.262SS..Hα-helixtrans-61.5-48.8-176.6-67.1177.7-4.900111.4H52 C104 V108 F109 A110H52-Q106 VanDerWaalsContact CD2-CD 3.48Å; C104-Q106 PolarHBondContact O-N 2.88Å; Q106-V108 PolarHBondContact O-N 3.16Å; Q106-F109 PolarHBondContact O-N 2.91Å; Q106-A110 WeakPolarHBondContact O-CB 3.5Å; Q106-A110 PolarHBondContact O-N 3.26Å
107C94.9Very high90.3Very high19 Ų1941.3 Ų41.313%0.12823%0.231CC..Hα-helixtrans-66.7-36.2177.4-72.40000112.7K79 C80 I103 C104 A110 V111K79-C107 HydrophobicContact CB-CB 3.86Å; K79-C107 VanDerWaalsContact CB-SG 3.54Å; K79-C107 HydrophobicContact CD-CB 4.2Å; K79-C107 HydrophobicContact CG-CB 4.42Å; C80-C107 VanDerWaalsContact SG-SG 3.69Å; I103-C107 HydrophobicContact CG2-CB 3.5Å; I103-C107 VanDerWaalsContact CG2-CB 3.5Å; C104-C107 PolarHBondContact O-N 3.15Å; C104-C107 PolarHBondContact SG-N 3.27Å; C107-A110 PolarHBondContact O-N 3.23Å; C107-V111 WeakPolarHBondContact O-CG2 3.41Å; C107-V111 PolarHBondContact O-N 3.22Å; C107-V111 VanDerWaalsContact O-N 3.14Å
108V97.7Very high91.9Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-59.8-49.6173.7170.30000110.5I103 C104 R105 Q106 V111 A112 L127 M128 M131I103-V108 HydrophobicContact CB-CG2 4.18Å; I103-V108 HydrophobicContact CG2-CG2 3.87Å; C104-V108 WeakPolarHBondContact O-CG2 3.5Å; C104-V108 PolarHBondContact O-N 2.65Å; R105-V108 PolarHBondContact O-N 3.13Å; Q106-V108 PolarHBondContact O-N 3.16Å; V108-V111 PolarHBondContact O-N 2.93Å; V108-A112 WeakPolarHBondContact O-CB 3.47Å; V108-A112 PolarHBondContact O-N 3.46Å; V108-L127 HydrophobicContact CG1-CB 3.91Å; V108-L127 HydrophobicContact CG2-CB 3.92Å; V108-L127 HydrophobicContact CG2-CD1 4.1Å; V108-M128 HydrophobicContact CG1-CB 3.81Å; V108-M131 HydrophobicContact CG1-CG 4.25Å; V108-M131 HydrophobicContact CG2-CE 4.29Å
109F97.8Very high93.4Very high10 Ų1038.8 Ų38.84%0.04421%0.213CC..Hα-helixtrans-65.4-45178.5-86.9-107.4000111.6R105 Q106 V111 A112 T113 M128 M131 K132 C159R105-F109 HydrophobicContact CG-CD2 3.88Å; R105-F109 HydrophobicContact CG-CE2 3.95Å; R105-F109 VanDerWaalsContact O-CD2 3.31Å; R105-F109 WeakPolarHBondContact O-CD2 3.27Å; R105-F109 PolarHBondContact O-N 3.1Å; Q106-F109 PolarHBondContact O-N 2.91Å; F109-V111 PolarHBondContact O-N 3.11Å; F109-A112 PolarHBondContact O-N 3.45Å; F109-T113 HydrophobicContact CB-CG2 4.34Å; F109-T113 HydrophobicContact CD1-CG2 3.87Å; F109-T113 HydrophobicContact CG-CG2 4.5Å; F109-T113 WeakPolarHBondContact O-CB 3.44Å; F109-T113 WeakPolarHBondContact O-CG2 3.38Å; F109-T113 PolarHBondContact O-N 3.1Å; F109-T113 PolarHBondContact O-OG1 3.29Å; F109-M128 HydrophobicContact CD1-CE 3.89Å; F109-M128 HydrophobicContact CE1-CE 3.7Å; F109-M128 HydrophobicContact CE2-CG 4.39Å; F109-M128 HydrophobicContact CZ-CE 4.2Å; F109-M128 HydrophobicContact CZ-CG 4.42Å; F109-M131 HydrophobicContact CE2-CB 3.97Å; F109-K132 HydrophobicContact CZ-CG 3.98Å; F109-C159 HydrophobicContact CD1-CB 4.02Å; F109-C159 HydrophobicContact CE1-CB 4.11Å
110A95.8Very high95Very high44 Ų4440.8 Ų40.836%0.36421%0.214SC..Hα-helixtrans-54.2-38.8178.600000112.8L19 Q106 C107L19-A110 HydrophobicContact CD1-CB 3.74Å; Q106-A110 WeakPolarHBondContact O-CB 3.5Å; Q106-A110 PolarHBondContact O-N 3.26Å; C107-A110 PolarHBondContact O-N 3.23Å
111V96.9Very high96.3Very high48 Ų4845.6 Ų45.629%0.29122%0.223SC..Hα-helixtrans-80.6-43.7178.1177.20000111.9K79 C107 V108 F109 K114 F124K79-V111 HydrophobicContact CD-CG2 4.38Å; C107-V111 WeakPolarHBondContact O-CG2 3.41Å; C107-V111 PolarHBondContact O-N 3.22Å; C107-V111 VanDerWaalsContact O-N 3.14Å; V108-V111 PolarHBondContact O-N 2.93Å; F109-V111 PolarHBondContact O-N 3.11Å; V111-K114 VanDerWaalsContact O-CE 3.25Å; V111-K114 WeakPolarHBondContact O-CE 3.4Å; V111-K114 PolarHBondContact O-NZ 3Å; V111-F124 HydrophobicContact CB-CD1 3.76Å; V111-F124 HydrophobicContact CB-CE1 3.99Å; V111-F124 HydrophobicContact CB-CG 4.08Å; V111-F124 HydrophobicContact CG1-CB 4.17Å; V111-F124 HydrophobicContact CG1-CD1 3.81Å; V111-F124 HydrophobicContact CG1-CD2 3.7Å; V111-F124 HydrophobicContact CG1-CE1 4.14Å; V111-F124 HydrophobicContact CG1-CE2 4.05Å; V111-F124 HydrophobicContact CG1-CG 3.59Å; V111-F124 HydrophobicContact CG1-CZ 4.28Å; V111-F124 HydrophobicContact CG2-CD1 4.28Å; V111-F124 HydrophobicContact CG2-CE1 3.98Å; V111-F124 HydrophobicContact CG2-CZ 4.29Å
112A98.3Very high96.8Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-83.4-30.3-167.700000114.5V108 F109 A118 L119 F124 M128V108-A112 WeakPolarHBondContact O-CB 3.47Å; V108-A112 PolarHBondContact O-N 3.46Å; F109-A112 PolarHBondContact O-N 3.45Å; A112-A118 CarbonylContact O-C 3.55Å; A112-A118 VanDerWaalsContact O-CA 3.27Å; A112-A118 WeakPolarHBondContact O-CA 3.24Å; A112-A118 WeakPolarHBondContact O-CB 3.27Å; A112-L119 PolarHBondContact O-N 3.02Å; A112-F124 HydrophobicContact CB-CB 4.34Å; A112-M128 HydrophobicContact CB-CB 3.99Å; A112-M128 HydrophobicContact CB-CG 4.22Å; A112-M128 HydrophobicContact CB-SD 3.45Å; A112-M128 WeakPolarHBondContact CB-SD 3.13Å
113T98.3Very high97Very high8 Ų850.1 Ų50.15%0.04925%0.245CC..  trans-71.5133.818057.60000111.2F109 M128 A182F109-T113 HydrophobicContact CB-CG2 4.34Å; F109-T113 HydrophobicContact CD1-CG2 3.87Å; F109-T113 HydrophobicContact CG-CG2 4.5Å; F109-T113 WeakPolarHBondContact O-CB 3.44Å; F109-T113 WeakPolarHBondContact O-CG2 3.38Å; F109-T113 PolarHBondContact O-N 3.1Å; F109-T113 PolarHBondContact O-OG1 3.29Å; T113-M128 HydrophobicContact CG2-CE 3.74Å; T113-A182 VanDerWaalsContact CA-O 3.25Å; T113-A182 WeakPolarHBondContact CA-O 3.26Å; T113-A182 VanDerWaalsContact CB-O 3.31Å; T113-A182 WeakPolarHBondContact CB-O 3.42Å; T113-A182 WeakPolarHBondContact CG2-O 3.44Å
114K98.1Very high97.1Very high100 Ų10051.7 Ų51.744%0.43525%0.251SS..  trans-144.6150.6178.4-58.3-66.7168.5-159.30110.4V111 G116 G117 L119 A182V111-K114 VanDerWaalsContact O-CE 3.25Å; V111-K114 WeakPolarHBondContact O-CE 3.4Å; V111-K114 PolarHBondContact O-NZ 3Å; K114-G116 PolarHBondContact O-N 2.71Å; K114-G117 WeakPolarHBondContact CB-O 3.36Å; K114-G117 CarbonylContact O-C 3.59Å; K114-G117 PolarHBondContact O-N 3.5Å; K114-G117 VanDerWaalsContact O-N 3.14Å; K114-L119 HydrophobicContact CG-CD2 4.31Å; K114-A182 PolarHBondContact N-O 3.14Å; K114-A182 WeakPolarHBondContact O-CA 3.24Å; K114-A182 VanDerWaalsContact O-CB 3.32Å; K114-A182 WeakPolarHBondContact O-CB 3.37Å
115R97.2Very high97.3Very high122 Ų12251.8 Ų51.846%0.4625%0.252SS..THydrogen-bonded Turntrans-57.7135.9169.8-66.9-176.1177.2169-0.7109.8L18 Y20 G117 L329L18-R115 HydrophobicContact CD1-CG 3.62Å; Y20-R115 PolarHBondContact OH-NH2 2.88Å; Y20-R115 VanDerWaalsContact OH-NH2 3.08Å; R115-G117 VanDerWaalsContact C-N 3.32Å; R115-L329 PolarHBondContact NH1-O 3.4Å; R115-L329 VanDerWaalsContact NH2-C 3.28Å; R115-L329 PolarHBondContact NH2-O 3.14Å; R115-L329 VanDerWaalsContact NH2-O 3.09Å
116G96.6Very high97.4Very high19 Ų1960 Ų6020%0.19628%0.283CS..THydrogen-bonded Turntrans85.3-5.6-176.100000115.3K114 E181K114-G116 PolarHBondContact O-N 2.71Å; G116-E181 WeakPolarHBondContact CA-OE2 3.27Å; G116-E181 PolarHBondContact N-OE2 3.41Å
117G98.3Very high97.5Very high14 Ų1459 Ų5914%0.14428%0.28CS..SBendtrans131.9143.6-17900000112.2K114 R115 E181K114-G117 WeakPolarHBondContact CB-O 3.36Å; K114-G117 CarbonylContact O-C 3.59Å; K114-G117 PolarHBondContact O-N 3.5Å; K114-G117 VanDerWaalsContact O-N 3.14Å; R115-G117 VanDerWaalsContact C-N 3.32Å; G117-E181 WeakPolarHBondContact CA-O 3.47Å
118A98.7Very high97.7Very high5 Ų558 Ų584%0.04127%0.274CS..  trans-66.1164.3178.200000112.9A112 K120 M128 A182 T184 Q185A112-A118 CarbonylContact O-C 3.55Å; A112-A118 VanDerWaalsContact O-CA 3.27Å; A112-A118 WeakPolarHBondContact O-CA 3.24Å; A112-A118 WeakPolarHBondContact O-CB 3.27Å; A118-K120 PolarHBondContact O-N 2.67Å; A118-M128 HydrophobicContact CB-CE 3.8Å; A118-M128 HydrophobicContact CB-SD 3.54Å; A118-M128 VanDerWaalsContact CB-SD 3.54Å; A118-A182 WeakPolarHBondContact CB-O 3.08Å; A118-T184 VanDerWaalsContact CB-O 3.31Å; A118-T184 WeakPolarHBondContact CB-O 3.48Å; A118-T184 PolarHBondContact N-O 2.86Å; A118-Q185 HydrophobicContact CB-CG 3.82Å
119L98.4Very high97.7Very high66 Ų6659.7 Ų59.735%0.34628%0.281SS..  trans-54.4129.9175.8-63.8-178.4000111.3A112 K114 F124 A125 Q185A112-L119 PolarHBondContact O-N 3.02Å; K114-L119 HydrophobicContact CG-CD2 4.31Å; L119-F124 HydrophobicContact CD1-CB 4.42Å; L119-A125 HydrophobicContact CB-CB 4.18Å; L119-A125 WeakPolarHBondContact O-CB 3.23Å; L119-Q185 PolarHBondContact O-NE2 3.03Å
120K98.3Very high97.7Very high109 Ų10964 Ų6447%0.47430%0.3SS..  trans-98.2-14.8-179.3-58-171.1-178.1-171.50114.6A118 A125 Q185 L187A118-K120 PolarHBondContact O-N 2.67Å; K120-A125 VanDerWaalsContact C-CB 3.5Å; K120-Q185 WeakPolarHBondContact CD-O 3.27Å; K120-Q185 VanDerWaalsContact CE-O 3.24Å; K120-Q185 WeakPolarHBondContact CE-O 3.32Å; K120-L187 VanDerWaalsContact CE-O 3.29Å; K120-L187 WeakPolarHBondContact CE-O 3.23Å; K120-L187 PolarHBondContact NZ-O 3.19Å
121R97.8Very high97.8Very high225 Ų22562.1 Ų62.185%0.84928%0.284SS*.SBendtrans-135.3159.3-175.6-64.4-176.9179.1174.9-0.6111A125R121-A125 VanDerWaalsContact C-CB 3.48Å; R121-A125 VanDerWaalsContact N-CB 3.34Å; R121-A125 VanDerWaalsContact O-CB 3.28Å; R121-A125 WeakPolarHBondContact O-CB 3.32Å
122G97.8Very high97.9Very high39 Ų3959.8 Ų59.840%0.40227%0.27SS..SBendtrans88.1178.1179.700000114.3F124 A125 R126G122-F124 PolarHBondContact O-N 2.61Å; G122-A125 PolarHBondContact O-N 2.99Å; G122-R126 PolarHBondContact O-N 2.94Å
123R96.1Very high97.9Very high128 Ų12862.6 Ų62.648%0.48328%0.284SS..Hα-helixtrans-55.8-51.2-173.9-176.6179.5179.7-165.7-3.1112.6S101 A125 R126 L127S101-R123 PolarHBondContact O-NH2 2.66Å; R123-A125 VanDerWaalsContact C-N 3.33Å; R123-A125 PolarHBondContact O-N 3.43Å; R123-R126 PolarHBondContact O-N 3.3Å; R123-L127 HydrophobicContact CG-CD1 4.07Å; R123-L127 WeakPolarHBondContact O-CG 3.31Å; R123-L127 PolarHBondContact O-N 2.94Å
124F97.4Very high97.9Very high40 Ų4070.1 Ų70.118%0.17531%0.312CS..Hα-helixtrans-64.8-33.3-179-75.3-78.9000113.5K79 I103 V111 A112 L119 G122 M128K79-F124 HydrophobicContact CD-CZ 4.37Å; I103-F124 HydrophobicContact CD1-CE1 3.7Å; I103-F124 HydrophobicContact CD1-CZ 3.6Å; I103-F124 HydrophobicContact CG2-CE1 4.31Å; V111-F124 HydrophobicContact CB-CD1 3.76Å; V111-F124 HydrophobicContact CB-CE1 3.99Å; V111-F124 HydrophobicContact CB-CG 4.08Å; V111-F124 HydrophobicContact CG1-CB 4.17Å; V111-F124 HydrophobicContact CG1-CD1 3.81Å; V111-F124 HydrophobicContact CG1-CD2 3.7Å; V111-F124 HydrophobicContact CG1-CE1 4.14Å; V111-F124 HydrophobicContact CG1-CE2 4.05Å; V111-F124 HydrophobicContact CG1-CG 3.59Å; V111-F124 HydrophobicContact CG1-CZ 4.28Å; V111-F124 HydrophobicContact CG2-CD1 4.28Å; V111-F124 HydrophobicContact CG2-CE1 3.98Å; V111-F124 HydrophobicContact CG2-CZ 4.29Å; A112-F124 HydrophobicContact CB-CB 4.34Å; L119-F124 HydrophobicContact CD1-CB 4.42Å; G122-F124 PolarHBondContact O-N 2.61Å; F124-M128 VanDerWaalsContact O-CB 3.24Å; F124-M128 WeakPolarHBondContact O-CB 3.41Å; F124-M128 PolarHBondContact O-N 3.08Å
125A98.3Very high97.9Very high3 Ų366.7 Ų66.73%0.02530%0.298CS..Hα-helixtrans-65.2-41.7175.200000112L119 K120 R121 G122 R123 Q129 Q185L119-A125 HydrophobicContact CB-CB 4.18Å; L119-A125 WeakPolarHBondContact O-CB 3.23Å; K120-A125 VanDerWaalsContact C-CB 3.5Å; R121-A125 VanDerWaalsContact C-CB 3.48Å; R121-A125 VanDerWaalsContact N-CB 3.34Å; R121-A125 VanDerWaalsContact O-CB 3.28Å; R121-A125 WeakPolarHBondContact O-CB 3.32Å; G122-A125 PolarHBondContact O-N 2.99Å; R123-A125 VanDerWaalsContact C-N 3.33Å; R123-A125 PolarHBondContact O-N 3.43Å; A125-Q129 WeakPolarHBondContact O-CB 3.35Å; A125-Q129 PolarHBondContact O-N 3.39Å; A125-Q185 PolarHBondContact O-NE2 3.37Å
126R98.1Very high97.9Very high194 Ų19463.5 Ų63.573%0.73229%0.293SS*.Hα-helixtrans-68.4-45.4177.1-63.3178.6-164.5167.43111.5G122 R123 M128 Q129 F130G122-R126 PolarHBondContact O-N 2.94Å; R123-R126 PolarHBondContact O-N 3.3Å; R126-M128 VanDerWaalsContact C-N 3.34Å; R126-M128 PolarHBondContact O-N 3.25Å; R126-Q129 PolarHBondContact O-N 3.09Å; R126-F130 PolarHBondContact O-N 2.78Å
127L97.4Very high97.9Very high45 Ų4564.3 Ų64.324%0.23629%0.291CS..Hα-helixtrans-59.2-45.9175.2-71.7175.1000111.1I103 V108 R123 Q129 F130 M131I103-L127 HydrophobicContact CD1-CD1 4.47Å; V108-L127 HydrophobicContact CG1-CB 3.91Å; V108-L127 HydrophobicContact CG2-CB 3.92Å; V108-L127 HydrophobicContact CG2-CD1 4.1Å; R123-L127 HydrophobicContact CG-CD1 4.07Å; R123-L127 WeakPolarHBondContact O-CG 3.31Å; R123-L127 PolarHBondContact O-N 2.94Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 2.96Å; L127-F130 WeakPolarHBondContact O-CB 3.3Å; L127-F130 PolarHBondContact O-N 2.99Å; L127-M131 WeakPolarHBondContact O-CG 3.25Å; L127-M131 PolarHBondContact O-N 2.87Å
128M98.4Very high97.9Very high0 Ų070 Ų700%031%0.314CS..Hα-helixtrans-59.6-45.2176.8-173.8-178.8-169.100111.1V108 F109 A112 T113 A118 F124 R126 F130 M131 K132 C183 Q185V108-M128 HydrophobicContact CG1-CB 3.81Å; F109-M128 HydrophobicContact CD1-CE 3.89Å; F109-M128 HydrophobicContact CE1-CE 3.7Å; F109-M128 HydrophobicContact CE2-CG 4.39Å; F109-M128 HydrophobicContact CZ-CE 4.2Å; F109-M128 HydrophobicContact CZ-CG 4.42Å; A112-M128 HydrophobicContact CB-CB 3.99Å; A112-M128 HydrophobicContact CB-CG 4.22Å; A112-M128 HydrophobicContact CB-SD 3.45Å; A112-M128 WeakPolarHBondContact CB-SD 3.13Å; T113-M128 HydrophobicContact CG2-CE 3.74Å; A118-M128 HydrophobicContact CB-CE 3.8Å; A118-M128 HydrophobicContact CB-SD 3.54Å; A118-M128 VanDerWaalsContact CB-SD 3.54Å; F124-M128 VanDerWaalsContact O-CB 3.24Å; F124-M128 WeakPolarHBondContact O-CB 3.41Å; F124-M128 PolarHBondContact O-N 3.08Å; R126-M128 VanDerWaalsContact C-N 3.34Å; R126-M128 PolarHBondContact O-N 3.25Å; M128-F130 VanDerWaalsContact C-N 3.3Å; M128-F130 PolarHBondContact O-N 3.47Å; M128-M131 PolarHBondContact O-N 2.96Å; M128-K132 HydrophobicContact CE-CD 4.41Å; M128-K132 HydrophobicContact CG-CD 4.23Å; M128-K132 HydrophobicContact CG-CG 4.3Å; M128-K132 VanDerWaalsContact O-CG 3.24Å; M128-K132 WeakPolarHBondContact O-CG 3.41Å; M128-K132 PolarHBondContact O-N 3.18Å; M128-C183 HydrophobicContact CE-CB 4.27Å; M128-C183 VanDerWaalsContact CE-O 3.27Å; M128-C183 WeakPolarHBondContact CE-O 3.15Å; M128-Q185 HydrophobicContact SD-CG 4.44Å
129Q98.4Very high97.9Very high35 Ų3572.6 Ų72.616%0.16433%0.327CS..Hα-helixtrans-58.3-42.3177.2-17752.746.600112.4A125 R126 L127 K132 S203 G208A125-Q129 WeakPolarHBondContact O-CB 3.35Å; A125-Q129 PolarHBondContact O-N 3.39Å; R126-Q129 PolarHBondContact O-N 3.09Å; L127-Q129 VanDerWaalsContact C-N 3.32Å; L127-Q129 PolarHBondContact O-N 2.96Å; Q129-K132 PolarHBondContact O-N 3.45Å; Q129-S203 PolarHBondContact NE2-OG 2.79Å; Q129-S203 PolarHBondContact OE1-OG 2.9Å; Q129-G208 PolarHBondContact NE2-O 3.17Å
130F97.4Very high97.8Very high100 Ų10074.8 Ų74.844%0.43935%0.347SS..Hα-helixtrans-62.6-48.3173.4174.2-105.1000112.1P91 R126 L127 M128 K132 L133P91-F130 HydrophobicContact CB-CE1 4.48Å; P91-F130 HydrophobicContact CG-CD1 3.99Å; P91-F130 HydrophobicContact CG-CE1 3.33Å; P91-F130 HydrophobicContact CG-CZ 3.77Å; R126-F130 PolarHBondContact O-N 2.78Å; L127-F130 WeakPolarHBondContact O-CB 3.3Å; L127-F130 PolarHBondContact O-N 2.99Å; M128-F130 VanDerWaalsContact C-N 3.3Å; M128-F130 PolarHBondContact O-N 3.47Å; F130-K132 VanDerWaalsContact C-N 3.27Å; F130-K132 PolarHBondContact O-N 3.14Å; F130-L133 HydrophobicContact CD2-CD1 4.43Å; F130-L133 WeakPolarHBondContact O-CB 3.41Å; F130-L133 WeakPolarHBondContact O-CG 3.41Å; F130-L133 PolarHBondContact O-N 3.1Å; F130-L133 VanDerWaalsContact O-N 3.13Å
131M98.1Very high97.8Very high4 Ų472.6 Ų72.62%0.0235%0.346CS..Hα-helixtrans-59.3-37.1179.4-65.1-73.4173.700112.2P91 R105 V108 F109 L127 M128 L133 R134P91-M131 WeakPolarHBondContact CD-SD 3.33Å; P91-M131 HydrophobicContact CG-SD 4.37Å; R105-M131 HydrophobicContact CB-SD 3.97Å; R105-M131 HydrophobicContact CG-SD 4.3Å; R105-M131 PolarHBondContact NH1-O 3.19Å; R105-M131 PolarHBondContact NH2-O 2.76Å; V108-M131 HydrophobicContact CG1-CG 4.25Å; V108-M131 HydrophobicContact CG2-CE 4.29Å; F109-M131 HydrophobicContact CE2-CB 3.97Å; L127-M131 WeakPolarHBondContact O-CG 3.25Å; L127-M131 PolarHBondContact O-N 2.87Å; M128-M131 PolarHBondContact O-N 2.96Å; M131-L133 PolarHBondContact O-N 2.93Å; M131-R134 PolarHBondContact O-N 2.91Å
132K98.6Very high97.8Very high0 Ų062.6 Ų62.60%031%0.309CS..THydrogen-bonded Turntrans-69.4-10.2-179.9-71.8-176.4-43.6172.70114.5F109 M128 Q129 F130 R134 Y158 V204 E210F109-K132 HydrophobicContact CZ-CG 3.98Å; M128-K132 HydrophobicContact CE-CD 4.41Å; M128-K132 HydrophobicContact CG-CD 4.23Å; M128-K132 HydrophobicContact CG-CG 4.3Å; M128-K132 VanDerWaalsContact O-CG 3.24Å; M128-K132 WeakPolarHBondContact O-CG 3.41Å; M128-K132 PolarHBondContact O-N 3.18Å; Q129-K132 PolarHBondContact O-N 3.45Å; F130-K132 VanDerWaalsContact C-N 3.27Å; F130-K132 PolarHBondContact O-N 3.14Å; K132-R134 PolarHBondContact O-N 3.5Å; K132-Y158 HydrophobicContact CB-CD1 3.75Å; K132-Y158 HydrophobicContact CB-CD2 4.48Å; K132-Y158 HydrophobicContact CB-CE1 3.95Å; K132-Y158 HydrophobicContact CB-CG 4.02Å; K132-Y158 HydrophobicContact CD-CD1 4.37Å; K132-Y158 HydrophobicContact CD-CD2 3.6Å; K132-Y158 HydrophobicContact CD-CE1 4.38Å; K132-Y158 HydrophobicContact CD-CE2 3.61Å; K132-Y158 HydrophobicContact CD-CG 3.98Å; K132-Y158 HydrophobicContact CG-CD1 3.88Å; K132-Y158 HydrophobicContact CG-CD2 3.77Å; K132-Y158 HydrophobicContact CG-CE1 4.28Å; K132-Y158 HydrophobicContact CG-CE2 4.16Å; K132-Y158 HydrophobicContact CG-CG 3.59Å; K132-V204 VanDerWaalsContact O-CG2 3.23Å; K132-V204 WeakPolarHBondContact O-CG2 3.32Å; K132-E210 IonicContact NZ-OE1 2.88Å; K132-E210 PolarHBondContact NZ-OE1 2.84Å; K132-E210 IonicContact NZ-OE2 2.6Å
133L98.3Very high97.8Very high58 Ų5864.9 Ų64.930%0.30431%0.312SS..THydrogen-bonded Turntrans-70-16175-60.1178.2000112.4F130 M131F130-L133 HydrophobicContact CD2-CD1 4.43Å; F130-L133 WeakPolarHBondContact O-CB 3.41Å; F130-L133 WeakPolarHBondContact O-CG 3.41Å; F130-L133 PolarHBondContact O-N 3.1Å; F130-L133 VanDerWaalsContact O-N 3.13Å; M131-L133 PolarHBondContact O-N 2.93Å
134R98.1Very high97.9Very high167 Ų16761.6 Ų61.663%0.6330%0.3SS*.SBendtrans-130.9137.7177.1-60.1-66.4-173.81582.3110.6T90 P91 R105 M131 K132T90-R134 HydrophobicContact CG2-CB 3.67Å; P91-R134 HydrophobicContact CB-CG 4.11Å; R105-R134 PolarHBondContact NH1-O 3.1Å; R105-R134 PolarHBondContact NH2-O 3.02Å; M131-R134 PolarHBondContact O-N 2.91Å; K132-R134 PolarHBondContact O-N 3.5Å
135L98.4Very high97.9Very high28 Ų2862 Ų6215%0.14730%0.303CS..  trans-88.6138.4171.1-61.9176.9000109.2Y137 L139 Y158 V204L135-Y137 HydrophobicContact CB-CD1 4.03Å; L135-Y137 HydrophobicContact CB-CE1 3.93Å; L135-Y137 HydrophobicContact CB-CG 4.49Å; L135-Y137 WeakPolarHBondContact CB-O 3.39Å; L135-Y137 HydrophobicContact CD1-CE1 4.36Å; L135-Y137 HydrophobicContact CD1-CE2 4.12Å; L135-Y137 HydrophobicContact CD2-CE1 3.98Å; L135-Y137 HydrophobicContact CG-CE1 4.29Å; L135-Y137 PolarHBondContact O-N 2.93Å; L135-Y137 VanDerWaalsContact O-N 3.11Å; L135-L139 HydrophobicContact CD1-CD1 4.06Å; L135-L139 HydrophobicContact CD1-CD2 3.76Å; L135-L139 HydrophobicContact CD1-CG 3.76Å; L135-Y158 HydrophobicContact CD2-CD1 4.11Å; L135-V204 HydrophobicContact CD1-CG2 4.44Å; L135-V204 HydrophobicContact CD2-CG2 3.87Å; L135-V204 HydrophobicContact CG-CG2 3.81Å
136P97.1Very high97.8Very high55 Ų5568.6 Ų68.636%0.35735%0.346SS..SBendtrans-79.821.917535.5-35.9000112.4T90 A160T90-P136 HydrophobicContact CG2-CB 4.34Å; P136-A160 HydrophobicContact CG-CB 3.93Å
137Y97.5Very high97.6Very high35 Ų3566.3 Ų66.314%0.13734%0.344CS..SBendtrans-155.5162.3-179.262.7-82.6000109.3L135 L139 L142 C155 C157 A160 Q177L135-Y137 HydrophobicContact CB-CD1 4.03Å; L135-Y137 HydrophobicContact CB-CE1 3.93Å; L135-Y137 HydrophobicContact CB-CG 4.49Å; L135-Y137 WeakPolarHBondContact CB-O 3.39Å; L135-Y137 HydrophobicContact CD1-CE1 4.36Å; L135-Y137 HydrophobicContact CD1-CE2 4.12Å; L135-Y137 HydrophobicContact CD2-CE1 3.98Å; L135-Y137 HydrophobicContact CG-CE1 4.29Å; L135-Y137 PolarHBondContact O-N 2.93Å; L135-Y137 VanDerWaalsContact O-N 3.11Å; Y137-L139 HydrophobicContact CE2-CD2 3.94Å; Y137-L142 HydrophobicContact CD2-CD1 4.31Å; Y137-L142 HydrophobicContact CE2-CD1 3.94Å; Y137-C155 VanDerWaalsContact CG-SG 3.51Å; Y137-C157 WeakPolarHBondContact CE1-O 3.17Å; Y137-C157 PolarHBondContact OH-N 3.39Å; Y137-C157 PolarHBondContact OH-O 3.23Å; Y137-A160 HydrophobicContact CD1-CB 3.62Å; Y137-A160 HydrophobicContact CE1-CB 3.93Å; Y137-Q177 PolarHBondContact OH-NE2 3.19Å
138Q97.8Very high97.6Very high134 Ų13467 Ų6763%0.62635%0.346SS*.  trans-94.9133.4178.8-62.2-179.5600110.3S140 S141Q138-S140 VanDerWaalsContact C-N 3.32Å; Q138-S140 PolarHBondContact O-N 3.12Å; Q138-S141 PolarHBondContact O-N 3.07Å; Q138-S141 PolarHBondContact O-OG 2.69Å
139L97.7Very high97.5Very high60 Ų6068.2 Ų68.231%0.31435%0.352SS..G310 helixtrans-68.4-33.8178.8-71.7172.8000112.3L135 Y137 S141 L142 C175 Q177L135-L139 HydrophobicContact CD1-CD1 4.06Å; L135-L139 HydrophobicContact CD1-CD2 3.76Å; L135-L139 HydrophobicContact CD1-CG 3.76Å; Y137-L139 HydrophobicContact CE2-CD2 3.94Å; L139-S141 PolarHBondContact O-N 3.34Å; L139-L142 HydrophobicContact CD2-CD1 4.39Å; L139-L142 PolarHBondContact O-N 3.25Å; L139-C175 HydrophobicContact CD1-CB 3.95Å; L139-Q177 HydrophobicContact CD2-CB 3.96Å; L139-Q177 HydrophobicContact CD2-CG 4.07Å
140S97.4Very high97.4Very high111 Ų11169.4 Ų69.478%0.77636%0.362SS*.G310 helixtrans-69.9-13.8-179.9510000114Q138Q138-S140 VanDerWaalsContact C-N 3.32Å; Q138-S140 PolarHBondContact O-N 3.12Å
141S97.3Very high97.5Very high63 Ų6365 Ų6544%0.44134%0.343SS..G310 helixtrans-94.711179.373.40000113.2Q138 L139 Q153Q138-S141 PolarHBondContact O-N 3.07Å; Q138-S141 PolarHBondContact O-OG 2.69Å; L139-S141 PolarHBondContact O-N 3.34Å; S141-Q153 PolarHBondContact O-NE2 2.88Å
142L98.3Very high97.4Very high15 Ų1572.6 Ų72.68%0.07938%0.378CS..  trans-99.9126.6-178.5-62-177.9000110.7Y137 L139 W144 N151 Q153 C155 Q177Y137-L142 HydrophobicContact CD2-CD1 4.31Å; Y137-L142 HydrophobicContact CE2-CD1 3.94Å; L139-L142 HydrophobicContact CD2-CD1 4.39Å; L139-L142 PolarHBondContact O-N 3.25Å; L142-W144 HydrophobicContact CD1-CZ2 3.81Å; L142-W144 VanDerWaalsContact O-CD1 3.26Å; L142-W144 PolarHBondContact O-N 2.69Å; L142-N151 HydrophobicContact CB-CB 4.28Å; L142-Q153 HydrophobicContact CD2-CB 3.96Å; L142-Q153 HydrophobicContact CD2-CG 4.14Å; L142-C155 HydrophobicContact CD2-CB 3.81Å; L142-Q177 VanDerWaalsContact CD1-NE2 3.27Å
143D98.3Very high97.4Very high88 Ų8875.5 Ų75.547%0.47139%0.392SS..  trans-92.695178.9-60.7-50.1000109.5N151 Q152 Q153D143-N151 CarbonylContact O-C 3.59Å; D143-N151 WeakPolarHBondContact O-CA 3.43Å; D143-N151 WeakPolarHBondContact O-CB 3.34Å; D143-Q152 HydrophobicContact CB-CB 4.27Å; D143-Q152 HydrophobicContact CB-CG 4.06Å; D143-Q152 PolarHBondContact O-N 3.06Å; D143-Q153 PolarHBondContact OD2-NE2 3.06Å
144W98.4Very high97.3Very high58 Ų5877.3 Ų77.322%0.2240%0.399CS..BIsolated β-bridgetrans-83149.9-177.2-67.991.1000113L142 H148 T150 N151 Y156 W178L142-W144 HydrophobicContact CD1-CZ2 3.81Å; L142-W144 VanDerWaalsContact O-CD1 3.26Å; L142-W144 PolarHBondContact O-N 2.69Å; W144-H148 AromaticContact CD1-CE1 3.55Å; W144-H148 AromaticContact CD2-CD2 3.99Å; W144-H148 AromaticContact CD2-CE1 3.61Å; W144-H148 AromaticContact CD2-ND1 3.85Å; W144-H148 AromaticContact CD2-NE2 3.72Å; W144-H148 AromaticContact CE2-CE1 3.68Å; W144-H148 AromaticContact CE2-NE2 3.59Å; W144-H148 AromaticContact CE3-CD2 3.97Å; W144-H148 AromaticContact CG-CE1 3.54Å; W144-H148 AromaticContact CG-ND1 3.62Å; W144-H148 AromaticContact CZ2-NE2 3.92Å; W144-H148 AromaticContact NE1-CE1 3.61Å; W144-H148 AromaticContact NE1-NE2 3.9Å; W144-T150 WeakPolarHBondContact CA-O 3.37Å; W144-N151 HydrophobicContact CD2-CB 3.95Å; W144-N151 HydrophobicContact CE3-CB 4.06Å; W144-N151 HydrophobicContact CG-CB 4.33Å; W144-N151 WeakPolarHBondContact CH2-ND2 3.33Å; W144-N151 HydrophobicContact CZ3-CB 4.4Å; W144-Y156 AromaticContact CH2-CD1 3.97Å; W144-Y156 HydrophobicContact CH2-CD1 3.97Å; W144-Y156 AromaticContact CH2-CE1 3.89Å; W144-Y156 HydrophobicContact CH2-CE1 3.89Å; W144-Y156 HydrophobicContact CZ3-CD1 4.41Å; W144-Y156 AromaticContact CZ3-CE1 3.89Å; W144-Y156 HydrophobicContact CZ3-CE1 3.89Å; W144-W178 AromaticContact CH2-CD1 3.92Å; W144-W178 AromaticContact CZ3-CD1 3.83Å
145D97.4Very high97.4Very high48 Ų4869.9 Ų69.926%0.25737%0.372SS..  trans-65.7163.2162.865.726.2000111.7Q147 H148 L149 T150D145-Q147 PolarHBondContact O-N 3.04Å; D145-Q147 VanDerWaalsContact O-N 3.1Å; D145-Q147 PolarHBondContact OD1-N 2.95Å; D145-H148 PolarHBondContact O-N 2.9Å; D145-H148 WeakPolarHBondContact OD1-CA 3.3Å; D145-H148 PolarHBondContact OD1-N 2.79Å; D145-L149 PolarHBondContact OD1-N 2.83Å; D145-T150 PolarHBondContact N-O 3.43Å; D145-T150 PolarHBondContact OD2-N 3.31Å; D145-T150 PolarHBondContact OD2-OG1 3.5Å
146P95.9Very high97.4Very high142 Ų14268.9 Ų68.992%0.92237%0.367SS*.THydrogen-bonded Turntrans-60.2-23.6-177.2-2736000114.7
147Q93.8Very high97.5Very high146 Ų14666.2 Ų66.268%0.68235%0.35SS*.THydrogen-bonded Turntrans-91.5-1.5-179.6-65-179.4-12.300112.6D145 L149D145-Q147 PolarHBondContact O-N 3.04Å; D145-Q147 VanDerWaalsContact O-N 3.1Å; D145-Q147 PolarHBondContact OD1-N 2.95Å; Q147-L149 VanDerWaalsContact C-N 3.26Å; Q147-L149 HydrophobicContact CB-CD1 3.82Å; Q147-L149 HydrophobicContact CB-CG 3.71Å; Q147-L149 PolarHBondContact O-N 3.3Å; Q147-L149 VanDerWaalsContact OE1-CD1 3.24Å
148H96.4Very high97.5Very high60 Ų6064.6 Ų64.628%0.27834%0.343SS..SBendtrans5737-177.2-148.190.5000113.5W144 D145 G176 W178W144-H148 AromaticContact CD1-CE1 3.55Å; W144-H148 AromaticContact CD2-CD2 3.99Å; W144-H148 AromaticContact CD2-CE1 3.61Å; W144-H148 AromaticContact CD2-ND1 3.85Å; W144-H148 AromaticContact CD2-NE2 3.72Å; W144-H148 AromaticContact CE2-CE1 3.68Å; W144-H148 AromaticContact CE2-NE2 3.59Å; W144-H148 AromaticContact CE3-CD2 3.97Å; W144-H148 AromaticContact CG-CE1 3.54Å; W144-H148 AromaticContact CG-ND1 3.62Å; W144-H148 AromaticContact CZ2-NE2 3.92Å; W144-H148 AromaticContact NE1-CE1 3.61Å; W144-H148 AromaticContact NE1-NE2 3.9Å; D145-H148 PolarHBondContact O-N 2.9Å; D145-H148 WeakPolarHBondContact OD1-CA 3.3Å; D145-H148 PolarHBondContact OD1-N 2.79Å; H148-G176 PolarHBondContact CD2-O 3.38Å; H148-G176 VanDerWaalsContact CD2-O 3.22Å; H148-G176 PolarHBondContact NE2-O 3.4Å; H148-W178 PolarHBondContact O-NE1 2.96Å
149L96.5Very high97.6Very high26 Ų2658.7 Ų58.714%0.13632%0.316CS..SBendtrans-99-40-178-62.1-178.5000111.8D145 Q147 W165 W178D145-L149 PolarHBondContact OD1-N 2.83Å; Q147-L149 VanDerWaalsContact C-N 3.26Å; Q147-L149 HydrophobicContact CB-CD1 3.82Å; Q147-L149 HydrophobicContact CB-CG 3.71Å; Q147-L149 PolarHBondContact O-N 3.3Å; Q147-L149 VanDerWaalsContact OE1-CD1 3.24Å; L149-W165 HydrophobicContact CB-CG 4.16Å; L149-W165 HydrophobicContact CD1-CZ2 3.76Å; L149-W165 HydrophobicContact CD2-CD2 3.88Å; L149-W165 HydrophobicContact CD2-CE3 4.23Å; L149-W165 HydrophobicContact CD2-CG 4.22Å; L149-W165 HydrophobicContact CD2-CH2 4.48Å; L149-W165 HydrophobicContact CD2-CZ2 4.23Å; L149-W178 HydrophobicContact CD2-CZ2 3.82Å
150T97.8Very high97.6Very high60 Ų6056.8 Ų56.837%0.36831%0.309SS..  trans-135152.9-179.365.40000111.9W144 D145 Y156W144-T150 WeakPolarHBondContact CA-O 3.37Å; D145-T150 PolarHBondContact N-O 3.43Å; D145-T150 PolarHBondContact OD2-N 3.31Å; D145-T150 PolarHBondContact OD2-OG1 3.5Å; T150-Y156 VanDerWaalsContact CA-OH 3.3Å; T150-Y156 WeakPolarHBondContact CA-OH 3.2Å
151N98.4Very high97.6Very high7 Ų751.5 Ų51.54%0.03727%0.272CS..BIsolated β-bridgetrans-123.8151.1171.262.973.2000112.2L142 D143 W144 Q153 Q154 C155 Y156L142-N151 HydrophobicContact CB-CB 4.28Å; D143-N151 CarbonylContact O-C 3.59Å; D143-N151 WeakPolarHBondContact O-CA 3.43Å; D143-N151 WeakPolarHBondContact O-CB 3.34Å; W144-N151 HydrophobicContact CD2-CB 3.95Å; W144-N151 HydrophobicContact CE3-CB 4.06Å; W144-N151 HydrophobicContact CG-CB 4.33Å; W144-N151 WeakPolarHBondContact CH2-ND2 3.33Å; W144-N151 HydrophobicContact CZ3-CB 4.4Å; N151-Q153 PolarHBondContact O-N 3.1Å; N151-Q153 PolarHBondContact OD1-N 2.81Å; N151-Q154 PolarHBondContact O-N 3.1Å; N151-Q154 VanDerWaalsContact O-N 3.13Å; N151-Q154 PolarHBondContact OD1-N 3.38Å; N151-C155 PolarHBondContact ND2-O 3.29Å; N151-C155 PolarHBondContact OD1-N 2.67Å; N151-Y156 PolarHBondContact N-OH 3.03Å; N151-Y156 WeakPolarHBondContact ND2-CE1 3.47Å
152Q96.8Very high97.7Very high163 Ų16349.4 Ų49.476%0.76226%0.258SS*.THydrogen-bonded Turntrans-60.6-33.4-177.2-64.5-170.810.900112.9D143 Q154D143-Q152 HydrophobicContact CB-CB 4.27Å; D143-Q152 HydrophobicContact CB-CG 4.06Å; D143-Q152 PolarHBondContact O-N 3.06Å; Q152-Q154 PolarHBondContact O-N 2.82Å
153Q97.3Very high97.6Very high61 Ų6149.2 Ų49.229%0.28526%0.259SS..THydrogen-bonded Turntrans-71.5-12.3-179.1-65.975.310.500113.1K49 S141 L142 D143 N151 C155K49-Q153 WeakPolarHBondContact CE-O 3.44Å; S141-Q153 PolarHBondContact O-NE2 2.88Å; L142-Q153 HydrophobicContact CD2-CB 3.96Å; L142-Q153 HydrophobicContact CD2-CG 4.14Å; D143-Q153 PolarHBondContact OD2-NE2 3.06Å; N151-Q153 PolarHBondContact O-N 3.1Å; N151-Q153 PolarHBondContact OD1-N 2.81Å; Q153-C155 HydrophobicContact CB-CB 4Å; Q153-C155 PolarHBondContact O-N 2.87Å
154Q97.9Very high97.6Very high96 Ų9646.6 Ų46.645%0.44924%0.244SC..  trans47.546.6-170.8-58-171.2-14.400111.9L47 K49 N151 Q152 Y156 G161 P162L47-Q154 HydrophobicContact CD1-CB 3.97Å; L47-Q154 HydrophobicContact CD1-CG 4.43Å; K49-Q154 WeakPolarHBondContact CE-O 3.41Å; K49-Q154 PolarHBondContact NZ-O 3.38Å; N151-Q154 PolarHBondContact O-N 3.1Å; N151-Q154 VanDerWaalsContact O-N 3.13Å; N151-Q154 PolarHBondContact OD1-N 3.38Å; Q152-Q154 PolarHBondContact O-N 2.82Å; Q154-Y156 HydrophobicContact CB-CE2 4.4Å; Q154-G161 CarbonylContact O-C 3.55Å; Q154-P162 WeakPolarHBondContact O-CA 3.37Å
155C98.6Very high97.6Very high11 Ų1145.7 Ų45.77%0.07424%0.241CC..  trans-118.8109.4-174.8-173.30000109.9Y137 L142 N151 Q153Y137-C155 VanDerWaalsContact CG-SG 3.51Å; L142-C155 HydrophobicContact CD2-CB 3.81Å; N151-C155 PolarHBondContact ND2-O 3.29Å; N151-C155 PolarHBondContact OD1-N 2.67Å; Q153-C155 HydrophobicContact CB-CB 4Å; Q153-C155 PolarHBondContact O-N 2.87Å
156Y98.8Very high97.6Very high7 Ų743.7 Ų43.73%0.02723%0.23CC..BIsolated β-bridgetrans-134.3164-176-49.8-88.6000111.4W144 T150 N151 Q154 A160 G161 G163 M169 W178W144-Y156 AromaticContact CH2-CD1 3.97Å; W144-Y156 HydrophobicContact CH2-CD1 3.97Å; W144-Y156 AromaticContact CH2-CE1 3.89Å; W144-Y156 HydrophobicContact CH2-CE1 3.89Å; W144-Y156 HydrophobicContact CZ3-CD1 4.41Å; W144-Y156 AromaticContact CZ3-CE1 3.89Å; W144-Y156 HydrophobicContact CZ3-CE1 3.89Å; T150-Y156 VanDerWaalsContact CA-OH 3.3Å; T150-Y156 WeakPolarHBondContact CA-OH 3.2Å; N151-Y156 PolarHBondContact N-OH 3.03Å; N151-Y156 WeakPolarHBondContact ND2-CE1 3.47Å; Q154-Y156 HydrophobicContact CB-CE2 4.4Å; Y156-A160 CarbonylContact O-C 3.53Å; Y156-A160 VanDerWaalsContact O-CA 3.27Å; Y156-A160 WeakPolarHBondContact O-CA 3.36Å; Y156-A160 PolarHBondContact O-N 3.48Å; Y156-A160 VanDerWaalsContact O-N 3.1Å; Y156-G161 WeakPolarHBondContact CD2-O 3.49Å; Y156-G161 PolarHBondContact N-O 3.37Å; Y156-G161 PolarHBondContact O-N 2.72Å; Y156-G163 VanDerWaalsContact CD2-N 3.26Å; Y156-G163 WeakPolarHBondContact CE2-O 3.25Å; Y156-M169 HydrophobicContact CG-CE 4.3Å; Y156-W178 HydrophobicContact CD1-CB 4.19Å
157C98.9Very high97.7Very high0 Ų038.1 Ų38.10%019%0.192CC..THydrogen-bonded Turntrans60.3176.8169.4-166.70000114.6Y137 C159 A160 W178 F179 H180 C183Y137-C157 WeakPolarHBondContact CE1-O 3.17Å; Y137-C157 PolarHBondContact OH-N 3.39Å; Y137-C157 PolarHBondContact OH-O 3.23Å; C157-C159 PolarHBondContact O-N 2.86Å; C157-C159 VanDerWaalsContact O-N 3.1Å; C157-A160 PolarHBondContact O-N 3.32Å; C157-W178 VanDerWaalsContact CA-O 3.25Å; C157-W178 WeakPolarHBondContact CA-O 3.35Å; C157-W178 PolarHBondContact N-O 3.11Å; C157-F179 HydrophobicContact CB-CD1 4.28Å; C157-H180 VanDerWaalsContact CB-ND1 3.33Å; C157-H180 WeakPolarHBondContact CB-ND1 3.47Å; C157-H180 PolarHBondContact SG-N 3.17Å; C157-C183 WeakPolarHBondContact SG-CB 3.46Å
158Y98.8Very high97.9Very high0 Ų033.5 Ų33.50%017%0.17CC..THydrogen-bonded Turntrans-60.1-21.7174-44.5-74.6000113.4R105 K132 L135 F179 C183 C202 S203 V204 E210R105-Y158 PolarHBondContact NE-O 3.47Å; R105-Y158 PolarHBondContact NH2-O 3.38Å; K132-Y158 HydrophobicContact CB-CD1 3.75Å; K132-Y158 HydrophobicContact CB-CD2 4.48Å; K132-Y158 HydrophobicContact CB-CE1 3.95Å; K132-Y158 HydrophobicContact CB-CG 4.02Å; K132-Y158 HydrophobicContact CD-CD1 4.37Å; K132-Y158 HydrophobicContact CD-CD2 3.6Å; K132-Y158 HydrophobicContact CD-CE1 4.38Å; K132-Y158 HydrophobicContact CD-CE2 3.61Å; K132-Y158 HydrophobicContact CD-CG 3.98Å; K132-Y158 HydrophobicContact CG-CD1 3.88Å; K132-Y158 HydrophobicContact CG-CD2 3.77Å; K132-Y158 HydrophobicContact CG-CE1 4.28Å; K132-Y158 HydrophobicContact CG-CE2 4.16Å; K132-Y158 HydrophobicContact CG-CG 3.59Å; L135-Y158 HydrophobicContact CD2-CD1 4.11Å; Y158-F179 HydrophobicContact CD1-CD1 4.01Å; Y158-F179 AromaticContact CD1-CE1 3.59Å; Y158-F179 HydrophobicContact CD1-CE1 3.59Å; Y158-F179 AromaticContact CD2-CD1 3.64Å; Y158-F179 HydrophobicContact CD2-CD1 3.64Å; Y158-F179 HydrophobicContact CD2-CE1 4.11Å; Y158-F179 AromaticContact CE1-CD1 3.76Å; Y158-F179 HydrophobicContact CE1-CD1 3.76Å; Y158-F179 AromaticContact CE1-CE1 3.37Å; Y158-F179 HydrophobicContact CE1-CE1 3.37Å; Y158-F179 HydrophobicContact CE1-CZ 4.32Å; Y158-F179 AromaticContact CE2-CD1 3.38Å; Y158-F179 HydrophobicContact CE2-CD1 3.38Å; Y158-F179 AromaticContact CE2-CE1 3.93Å; Y158-F179 HydrophobicContact CE2-CE1 3.93Å; Y158-F179 HydrophobicContact CE2-CG 4.3Å; Y158-F179 AromaticContact CG-CD1 3.96Å; Y158-F179 HydrophobicContact CG-CD1 3.96Å; Y158-F179 AromaticContact CG-CE1 3.97Å; Y158-F179 HydrophobicContact CG-CE1 3.97Å; Y158-F179 AromaticContact CZ-CD1 3.46Å; Y158-F179 VanDerWaalsContact CZ-CD1 3.46Å; Y158-F179 AromaticContact CZ-CE1 3.58Å; Y158-C183 HydrophobicContact CD2-CB 4.23Å; Y158-C202 HydrophobicContact CE1-CB 4.01Å; Y158-C202 VanDerWaalsContact OH-CA 3.32Å; Y158-C202 WeakPolarHBondContact OH-CA 3.38Å; Y158-C202 VanDerWaalsContact OH-CB 3.31Å; Y158-C202 WeakPolarHBondContact OH-CB 3.33Å; Y158-S203 PolarHBondContact OH-N 3.12Å; Y158-V204 HydrophobicContact CD1-CG2 4.3Å; Y158-V204 HydrophobicContact CE1-CG2 4.19Å; Y158-E210 WeakPolarHBondContact CE2-OE1 3.29Å; Y158-E210 VanDerWaalsContact CZ-OE1 3.32Å; Y158-E210 VanDerWaalsContact OH-CG 3.25Å; Y158-E210 WeakPolarHBondContact OH-CG 3.33Å; Y158-E210 PolarHBondContact OH-OE1 3.21Å
159C98.3Very high98Very high10 Ų1031 Ų317%0.06816%0.158CC..THydrogen-bonded Turntrans-87.1-7.6-177.262.10000114.6F109 C157 G161 H180F109-C159 HydrophobicContact CD1-CB 4.02Å; F109-C159 HydrophobicContact CE1-CB 4.11Å; C157-C159 PolarHBondContact O-N 2.86Å; C157-C159 VanDerWaalsContact O-N 3.1Å; C159-G161 PolarHBondContact O-N 3.04Å; C159-G161 VanDerWaalsContact O-N 3.15Å; C159-H180 PolarHBondContact SG-ND1 3.45Å
160A98Very high98.1Very high20 Ų2030 Ų3017%0.16515%0.153CC..THydrogen-bonded Turntrans57.119.1-171.900000114.6K49 P136 Y137 Y156 C157K49-A160 PolarHBondContact NZ-O 2.94Å; P136-A160 HydrophobicContact CG-CB 3.93Å; Y137-A160 HydrophobicContact CD1-CB 3.62Å; Y137-A160 HydrophobicContact CE1-CB 3.93Å; Y156-A160 CarbonylContact O-C 3.53Å; Y156-A160 VanDerWaalsContact O-CA 3.27Å; Y156-A160 WeakPolarHBondContact O-CA 3.36Å; Y156-A160 PolarHBondContact O-N 3.48Å; Y156-A160 VanDerWaalsContact O-N 3.1Å; C157-A160 PolarHBondContact O-N 3.32Å
161G97.9Very high98.2Very high0 Ų030.2 Ų30.20%015%0.15CC..BIsolated β-bridgetrans-77172.5-179.400000113R13 D50 Q154 Y156 C159R13-G161 VanDerWaalsContact CD-CA 3.49Å; D50-G161 WeakPolarHBondContact OD1-CA 3.1Å; Q154-G161 CarbonylContact O-C 3.55Å; Y156-G161 WeakPolarHBondContact CD2-O 3.49Å; Y156-G161 PolarHBondContact N-O 3.37Å; Y156-G161 PolarHBondContact O-N 2.72Å; C159-G161 PolarHBondContact O-N 3.04Å; C159-G161 VanDerWaalsContact O-N 3.15Å
162P98.3Very high98.2Very high20 Ų2030 Ų3013%0.1315%0.149CC..  trans-70.7164.9167.635.3-33.8000109.2S15 D50 Q154 H180S15-P162 WeakPolarHBondContact CA-O 3.48Å; D50-P162 WeakPolarHBondContact OD1-CD 3.42Å; Q154-P162 WeakPolarHBondContact O-CA 3.37Å; P162-H180 PolarHBondContact O-CE1 3.41Å; P162-H180 PolarHBondContact O-NE2 3.27Å
163G97.9Very high98.2Very high11 Ų1125.5 Ų25.511%0.11315%0.147CC..  trans-165.9150.9-179.100000111.7Y156Y156-G163 VanDerWaalsContact CD2-N 3.26Å; Y156-G163 WeakPolarHBondContact CE2-O 3.25Å
164E97.8Very high98.3Very high32 Ų3226.2 Ų26.215%0.1516%0.158CC..  trans-114.2113.8167.4-72.4-177.7-129.700107.2N166 L167 M169 H324E164-N166 PolarHBondContact O-N 3.5Å; E164-N166 VanDerWaalsContact O-N 3.1Å; E164-L167 HydrophobicContact CB-CB 3.93Å; E164-L167 HydrophobicContact CB-CD1 3.82Å; E164-L167 HydrophobicContact CB-CG 3.71Å; E164-L167 VanDerWaalsContact CD-CD1 3.44Å; E164-L167 HydrophobicContact CG-CD1 4.19Å; E164-L167 WeakPolarHBondContact O-CA 3.44Å; E164-L167 PolarHBondContact O-N 2.92Å; E164-L167 WeakPolarHBondContact OE2-CD1 3.43Å; E164-M169 VanDerWaalsContact C-SD 3.58Å; E164-M169 VanDerWaalsContact O-SD 3.41Å; E164-H324 IonicContact OE2-ND1 2.88Å
165W98Very high98.3Very high40 Ų4023.4 Ų23.415%0.15215%0.149CC..THydrogen-bonded Turntrans-54.2-35.8-170.367.5-92.4000113.9L149 L167 W178 R196 P304L149-W165 HydrophobicContact CB-CG 4.16Å; L149-W165 HydrophobicContact CD1-CZ2 3.76Å; L149-W165 HydrophobicContact CD2-CD2 3.88Å; L149-W165 HydrophobicContact CD2-CE3 4.23Å; L149-W165 HydrophobicContact CD2-CG 4.22Å; L149-W165 HydrophobicContact CD2-CH2 4.48Å; L149-W165 HydrophobicContact CD2-CZ2 4.23Å; W165-L167 VanDerWaalsContact C-N 3.28Å; W165-L167 PolarHBondContact O-N 2.76Å; W165-W178 HydrophobicContact CB-CD2 3.59Å; W165-W178 HydrophobicContact CB-CE3 3.73Å; W165-W178 HydrophobicContact CB-CG 4.19Å; W165-W178 HydrophobicContact CB-CH2 3.93Å; W165-W178 HydrophobicContact CB-CZ2 3.8Å; W165-W178 HydrophobicContact CB-CZ3 3.9Å; W165-W178 HydrophobicContact CD2-CH2 4.24Å; W165-W178 HydrophobicContact CD2-CZ2 4.36Å; W165-W178 AromaticContact CE3-CH2 3.59Å; W165-W178 HydrophobicContact CE3-CH2 3.59Å; W165-W178 HydrophobicContact CE3-CZ2 4.1Å; W165-W178 HydrophobicContact CE3-CZ3 4.13Å; W165-W178 HydrophobicContact CG-CH2 4.44Å; W165-W178 HydrophobicContact CG-CZ2 4.3Å; W165-W178 HydrophobicContact CZ3-CH2 4.43Å; W165-W178 WeakPolarHBondContact O-CZ3 3.45Å; W165-R196 HydrophobicContact CZ3-CG 4.5Å; W165-P304 HydrophobicContact CH2-CB 4.31Å; W165-P304 HydrophobicContact CH2-CG 3.47Å; W165-P304 VanDerWaalsContact CH2-CG 3.47Å; W165-P304 HydrophobicContact CZ2-CG 4.37Å; W165-P304 HydrophobicContact CZ3-CB 4.37Å; W165-P304 HydrophobicContact CZ3-CG 3.73Å
166N97.5Very high98.3Very high6 Ų623.7 Ų23.73%0.03215%0.153CC..THydrogen-bonded Turntrans-82.4-4.8179.562.7-46.9000112.8E164 Y193 G194 Y228 P304E164-N166 PolarHBondContact O-N 3.5Å; E164-N166 VanDerWaalsContact O-N 3.1Å; N166-Y193 CarbonylContact O-C 3.6Å; N166-Y193 WeakPolarHBondContact O-CA 3.21Å; N166-G194 PolarHBondContact O-N 3.36Å; N166-Y228 PolarHBondContact ND2-OH 3.34Å; N166-P304 HydrophobicContact CB-CG 4.07Å
167L97.8Very high98.3Very high24 Ų2423.3 Ų23.313%0.12615%0.152CC..THydrogen-bonded Turntrans-107.680.1179.5-57.6-168.2000111.5E164 W165 M169 Y193 L232E164-L167 HydrophobicContact CB-CB 3.93Å; E164-L167 HydrophobicContact CB-CD1 3.82Å; E164-L167 HydrophobicContact CB-CG 3.71Å; E164-L167 VanDerWaalsContact CD-CD1 3.44Å; E164-L167 HydrophobicContact CG-CD1 4.19Å; E164-L167 WeakPolarHBondContact O-CA 3.44Å; E164-L167 PolarHBondContact O-N 2.92Å; E164-L167 WeakPolarHBondContact OE2-CD1 3.43Å; W165-L167 VanDerWaalsContact C-N 3.28Å; W165-L167 PolarHBondContact O-N 2.76Å; L167-M169 PolarHBondContact O-N 3.24Å; L167-Y193 HydrophobicContact CB-CD1 4.22Å; L167-Y193 HydrophobicContact CB-CE1 4.28Å; L167-Y193 HydrophobicContact CD2-CD1 3.77Å; L167-Y193 HydrophobicContact CD2-CE1 4.11Å; L167-Y193 HydrophobicContact CD2-CG 4.08Å; L167-L232 HydrophobicContact CD2-CD1 3.75Å
168K98.4Very high98.3Very high50 Ų5023.5 Ų23.522%0.21715%0.153CC..THydrogen-bonded Turntrans57.748174.4-64.7171.4163.6-70.70112.9E181 L191 Y193K168-E181 HydrophobicContact CB-CB 3.93Å; K168-E181 IonicContact NZ-OE1 3.05Å; K168-E181 PolarHBondContact NZ-OE1 2.6Å; K168-E181 IonicContact NZ-OE2 3.28Å; K168-E181 WeakPolarHBondContact O-CB 3.32Å; K168-E181 PolarHBondContact O-N 3.05Å; K168-L191 HydrophobicContact CB-CB 4.36Å; K168-L191 HydrophobicContact CG-CB 4.23Å; K168-L191 PolarHBondContact NZ-O 3.39Å; K168-Y193 HydrophobicContact CD-CD1 4.36Å; K168-Y193 HydrophobicContact CD-CE1 3.8Å; K168-Y193 HydrophobicContact CG-CD1 3.78Å; K168-Y193 HydrophobicContact CG-CE1 3.71Å
169M98.8Very high98.3Very high7 Ų723.5 Ų23.53%0.03415%0.153CC..EExtended strand (participates in β ladder)trans-121.6150.4170.6-56.8-172.576.600110.9Y156 E164 L167 W178 F179 H180Y156-M169 HydrophobicContact CG-CE 4.3Å; E164-M169 VanDerWaalsContact C-SD 3.58Å; E164-M169 VanDerWaalsContact O-SD 3.41Å; L167-M169 PolarHBondContact O-N 3.24Å; M169-W178 HydrophobicContact CB-CB 4.46Å; M169-W178 HydrophobicContact CB-CE3 3.87Å; M169-W178 HydrophobicContact CE-CB 3.61Å; M169-W178 HydrophobicContact SD-CB 4.27Å; M169-F179 CarbonylContact C-O 3.56Å; M169-F179 WeakPolarHBondContact CA-O 3.18Å; M169-H180 WeakPolarHBondContact CE-NE2 3.48Å
170L98.8Very high98.3Very high5 Ų523.1 Ų23.13%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-109.1138172-66174.8000110W178 F179 T184 L187 L191 Y198 F200 V212L170-W178 CarbonylContact O-C 3.5Å; L170-W178 WeakPolarHBondContact O-CA 3.27Å; L170-F179 PolarHBondContact N-O 3.37Å; L170-F179 PolarHBondContact O-N 3.42Å; L170-T184 HydrophobicContact CD1-CG2 4.4Å; L170-L187 HydrophobicContact CD1-CD2 4.08Å; L170-L187 HydrophobicContact CD1-CG 4.42Å; L170-L191 HydrophobicContact CD2-CD1 3.95Å; L170-L191 HydrophobicContact CD2-CD2 4.05Å; L170-L191 HydrophobicContact CG-CD1 3.88Å; L170-Y198 HydrophobicContact CD2-CD2 3.77Å; L170-Y198 HydrophobicContact CD2-CG 3.83Å; L170-F200 HydrophobicContact CB-CB 4.16Å; L170-F200 HydrophobicContact CB-CD1 3.69Å; L170-F200 HydrophobicContact CB-CD2 4.48Å; L170-F200 HydrophobicContact CB-CE1 4.19Å; L170-F200 HydrophobicContact CB-CG 3.86Å; L170-F200 HydrophobicContact CD1-CB 4.25Å; L170-F200 HydrophobicContact CD1-CD1 4.43Å; L170-F200 HydrophobicContact CD1-CD2 3.74Å; L170-F200 HydrophobicContact CD1-CE2 4.16Å; L170-F200 HydrophobicContact CD1-CG 3.88Å; L170-F200 HydrophobicContact CG-CG 4.48Å; L170-V212 HydrophobicContact CD1-CG2 4.5Å
171Q98.7Very high98.3Very high65 Ų6522.5 Ų22.530%0.30414%0.144SC..EExtended strand (participates in β ladder)trans-90130.6172.6-163.4177.126.300110.2G176 W178Q171-G176 VanDerWaalsContact CG-O 3.26Å; Q171-G176 WeakPolarHBondContact CG-O 3.25Å; Q171-G176 PolarHBondContact NE2-O 3.31Å; Q171-G176 VanDerWaalsContact NE2-O 3.08Å; Q171-W178 HydrophobicContact CB-CD2 4.05Å; Q171-W178 HydrophobicContact CB-CE3 3.95Å; Q171-W178 HydrophobicContact CB-CH2 3.94Å; Q171-W178 HydrophobicContact CB-CZ2 4.02Å; Q171-W178 HydrophobicContact CB-CZ3 3.91Å; Q171-W178 HydrophobicContact CG-CD2 4.23Å; Q171-W178 HydrophobicContact CG-CZ2 4.11Å
172C98.8Very high98.4Very high1 Ų122.7 Ų22.71%0.00715%0.145CC..BIsolated β-bridgetrans-75.9124174.2179.50000110.3S174 C175 G176 Q177 F179 F200 C202C172-S174 PolarHBondContact O-N 2.84Å; C172-S174 VanDerWaalsContact O-N 3.17Å; C172-C175 VanDerWaalsContact CB-SG 3.59Å; C172-C175 VanDerWaalsContact SG-SG 3.63Å; C172-G176 WeakPolarHBondContact O-CA 3.45Å; C172-G176 PolarHBondContact O-N 3.41Å; C172-Q177 PolarHBondContact N-O 2.94Å; C172-F179 HydrophobicContact CB-CD2 4.16Å; C172-F179 HydrophobicContact CB-CE2 3.63Å; C172-F200 WeakPolarHBondContact CA-O 3.31Å; C172-F200 HydrophobicContact CB-CD1 4.26Å; C172-F200 HydrophobicContact CB-CE1 4.36Å; C172-C202 HydrophobicContact CB-CB 4.14Å; C172-C202 PolarHBondContact SG-N 2.84Å; C172-C202 VanDerWaalsContact SG-N 3.39Å; C172-C202 VanDerWaalsContact SG-SG 3.65Å
173G97.6Very high98.4Very high70 Ų7021.8 Ų21.872%0.72214%0.139SC*.THydrogen-bonded Turntrans-66.3-15.2-179.200000114.9F200G173-F200 PolarHBondContact N-O 3.13Å
174S98.1Very high98.4Very high76 Ų7621.2 Ų21.253%0.53113%0.134SC..THydrogen-bonded Turntrans-95.3-40.4179.5-55.70000113.6C172C172-S174 PolarHBondContact O-N 2.84Å; C172-S174 VanDerWaalsContact O-N 3.17Å
175C98.3Very high98.5Very high36 Ų3621 Ų2124%0.24313%0.132CC..THydrogen-bonded Turntrans-114.8-1.9-173.167.90000114.9L139 C172 Q177L139-C175 HydrophobicContact CD1-CB 3.95Å; C172-C175 VanDerWaalsContact CB-SG 3.59Å; C172-C175 VanDerWaalsContact SG-SG 3.63Å; C175-Q177 PolarHBondContact O-N 3.47Å
176G98Very high98.5Very high17 Ų1720.4 Ų20.418%0.17513%0.134CC..  trans73.3-15.6178.900000115.4H148 Q171 C172H148-G176 PolarHBondContact CD2-O 3.38Å; H148-G176 VanDerWaalsContact CD2-O 3.22Å; H148-G176 PolarHBondContact NE2-O 3.4Å; Q171-G176 VanDerWaalsContact CG-O 3.26Å; Q171-G176 WeakPolarHBondContact CG-O 3.25Å; Q171-G176 PolarHBondContact NE2-O 3.31Å; Q171-G176 VanDerWaalsContact NE2-O 3.08Å; C172-G176 WeakPolarHBondContact O-CA 3.45Å; C172-G176 PolarHBondContact O-N 3.41Å
177Q98.7Very high98.5Very high0 Ų020.4 Ų20.40%013%0.134CC..  trans-65150.1179.8-179.358.5-95.800112.8Y137 L139 L142 C172 C175 F179Y137-Q177 PolarHBondContact OH-NE2 3.19Å; L139-Q177 HydrophobicContact CD2-CB 3.96Å; L139-Q177 HydrophobicContact CD2-CG 4.07Å; L142-Q177 VanDerWaalsContact CD1-NE2 3.27Å; C172-Q177 PolarHBondContact N-O 2.94Å; C175-Q177 PolarHBondContact O-N 3.47Å; Q177-F179 HydrophobicContact CB-CE2 3.74Å; Q177-F179 HydrophobicContact CB-CZ 4.05Å; Q177-F179 HydrophobicContact CG-CD2 4.46Å; Q177-F179 HydrophobicContact CG-CE2 3.75Å; Q177-F179 HydrophobicContact CG-CZ 3.78Å; Q177-F179 VanDerWaalsContact O-CD2 3.32Å; Q177-F179 WeakPolarHBondContact O-CD2 3.45Å; Q177-F179 VanDerWaalsContact O-CE2 3.27Å; Q177-F179 WeakPolarHBondContact O-CE2 3.24Å
178W98.9Very high98.4Very high3 Ų325.6 Ų25.61%0.01116%0.162CC..EExtended strand (participates in β ladder)trans-97.1141.6177.9-66.888.7000112.5W144 H148 L149 Y156 C157 W165 M169 L170 Q171W144-W178 AromaticContact CH2-CD1 3.92Å; W144-W178 AromaticContact CZ3-CD1 3.83Å; H148-W178 PolarHBondContact O-NE1 2.96Å; L149-W178 HydrophobicContact CD2-CZ2 3.82Å; Y156-W178 HydrophobicContact CD1-CB 4.19Å; C157-W178 VanDerWaalsContact CA-O 3.25Å; C157-W178 WeakPolarHBondContact CA-O 3.35Å; C157-W178 PolarHBondContact N-O 3.11Å; W165-W178 HydrophobicContact CB-CD2 3.59Å; W165-W178 HydrophobicContact CB-CE3 3.73Å; W165-W178 HydrophobicContact CB-CG 4.19Å; W165-W178 HydrophobicContact CB-CH2 3.93Å; W165-W178 HydrophobicContact CB-CZ2 3.8Å; W165-W178 HydrophobicContact CB-CZ3 3.9Å; W165-W178 HydrophobicContact CD2-CH2 4.24Å; W165-W178 HydrophobicContact CD2-CZ2 4.36Å; W165-W178 AromaticContact CE3-CH2 3.59Å; W165-W178 HydrophobicContact CE3-CH2 3.59Å; W165-W178 HydrophobicContact CE3-CZ2 4.1Å; W165-W178 HydrophobicContact CE3-CZ3 4.13Å; W165-W178 HydrophobicContact CG-CH2 4.44Å; W165-W178 HydrophobicContact CG-CZ2 4.3Å; W165-W178 HydrophobicContact CZ3-CH2 4.43Å; W165-W178 WeakPolarHBondContact O-CZ3 3.45Å; M169-W178 HydrophobicContact CB-CB 4.46Å; M169-W178 HydrophobicContact CB-CE3 3.87Å; M169-W178 HydrophobicContact CE-CB 3.61Å; M169-W178 HydrophobicContact SD-CB 4.27Å; L170-W178 CarbonylContact O-C 3.5Å; L170-W178 WeakPolarHBondContact O-CA 3.27Å; Q171-W178 HydrophobicContact CB-CD2 4.05Å; Q171-W178 HydrophobicContact CB-CE3 3.95Å; Q171-W178 HydrophobicContact CB-CH2 3.94Å; Q171-W178 HydrophobicContact CB-CZ2 4.02Å; Q171-W178 HydrophobicContact CB-CZ3 3.91Å; Q171-W178 HydrophobicContact CG-CD2 4.23Å; Q171-W178 HydrophobicContact CG-CZ2 4.11Å
179F98.9Very high98.4Very high0 Ų026.5 Ų26.50%017%0.165CC..EExtended strand (participates in β ladder)trans-131.2126.2-175-64.4-94.5000111.7C157 Y158 M169 L170 C172 Q177 T184 F200 C202C157-F179 HydrophobicContact CB-CD1 4.28Å; Y158-F179 HydrophobicContact CD1-CD1 4.01Å; Y158-F179 AromaticContact CD1-CE1 3.59Å; Y158-F179 HydrophobicContact CD1-CE1 3.59Å; Y158-F179 AromaticContact CD2-CD1 3.64Å; Y158-F179 HydrophobicContact CD2-CD1 3.64Å; Y158-F179 HydrophobicContact CD2-CE1 4.11Å; Y158-F179 AromaticContact CE1-CD1 3.76Å; Y158-F179 HydrophobicContact CE1-CD1 3.76Å; Y158-F179 AromaticContact CE1-CE1 3.37Å; Y158-F179 HydrophobicContact CE1-CE1 3.37Å; Y158-F179 HydrophobicContact CE1-CZ 4.32Å; Y158-F179 AromaticContact CE2-CD1 3.38Å; Y158-F179 HydrophobicContact CE2-CD1 3.38Å; Y158-F179 AromaticContact CE2-CE1 3.93Å; Y158-F179 HydrophobicContact CE2-CE1 3.93Å; Y158-F179 HydrophobicContact CE2-CG 4.3Å; Y158-F179 AromaticContact CG-CD1 3.96Å; Y158-F179 HydrophobicContact CG-CD1 3.96Å; Y158-F179 AromaticContact CG-CE1 3.97Å; Y158-F179 HydrophobicContact CG-CE1 3.97Å; Y158-F179 AromaticContact CZ-CD1 3.46Å; Y158-F179 VanDerWaalsContact CZ-CD1 3.46Å; Y158-F179 AromaticContact CZ-CE1 3.58Å; M169-F179 CarbonylContact C-O 3.56Å; M169-F179 WeakPolarHBondContact CA-O 3.18Å; L170-F179 PolarHBondContact N-O 3.37Å; L170-F179 PolarHBondContact O-N 3.42Å; C172-F179 HydrophobicContact CB-CD2 4.16Å; C172-F179 HydrophobicContact CB-CE2 3.63Å; Q177-F179 HydrophobicContact CB-CE2 3.74Å; Q177-F179 HydrophobicContact CB-CZ 4.05Å; Q177-F179 HydrophobicContact CG-CD2 4.46Å; Q177-F179 HydrophobicContact CG-CE2 3.75Å; Q177-F179 HydrophobicContact CG-CZ 3.78Å; Q177-F179 VanDerWaalsContact O-CD2 3.32Å; Q177-F179 WeakPolarHBondContact O-CD2 3.45Å; Q177-F179 VanDerWaalsContact O-CE2 3.27Å; Q177-F179 WeakPolarHBondContact O-CE2 3.24Å; F179-T184 HydrophobicContact CB-CG2 4.45Å; F179-F200 HydrophobicContact CB-CE1 3.94Å; F179-F200 HydrophobicContact CB-CZ 4.28Å; F179-F200 HydrophobicContact CD2-CD1 4.46Å; F179-F200 AromaticContact CD2-CE1 3.6Å; F179-F200 HydrophobicContact CD2-CE1 3.6Å; F179-F200 HydrophobicContact CD2-CZ 4.47Å; F179-F200 HydrophobicContact CE2-CE1 4.33Å; F179-F200 AromaticContact CG-CE1 3.84Å; F179-F200 HydrophobicContact CG-CE1 3.84Å; F179-F200 HydrophobicContact CG-CZ 4.32Å; F179-C202 HydrophobicContact CD1-CB 4.26Å; F179-C202 HydrophobicContact CD2-CB 4.11Å; F179-C202 HydrophobicContact CE1-CB 3.76Å; F179-C202 HydrophobicContact CE2-CB 3.58Å; F179-C202 HydrophobicContact CG-CB 4.43Å; F179-C202 HydrophobicContact CZ-CB 3.39Å; F179-C202 VanDerWaalsContact CZ-SG 3.56Å
180H98.9Very high98.3Very high2 Ų229.2 Ų29.21%0.00918%0.184CC..EExtended strand (participates in β ladder)trans-61.2138.9178.6-57.1111.1000112.5S15 C157 C159 P162 M169 A182 C183 T184S15-H180 PolarHBondContact O-CD2 2.83Å; S15-H180 PolarHBondContact O-NE2 3.49Å; C157-H180 VanDerWaalsContact CB-ND1 3.33Å; C157-H180 WeakPolarHBondContact CB-ND1 3.47Å; C157-H180 PolarHBondContact SG-N 3.17Å; C159-H180 PolarHBondContact SG-ND1 3.45Å; P162-H180 PolarHBondContact O-CE1 3.41Å; P162-H180 PolarHBondContact O-NE2 3.27Å; M169-H180 WeakPolarHBondContact CE-NE2 3.48Å; H180-A182 PolarHBondContact O-N 3.17Å; H180-C183 HydrophobicContact CB-CB 4.19Å; H180-C183 PolarHBondContact O-N 3.45Å; H180-T184 WeakPolarHBondContact O-CG2 3.14Å; H180-T184 PolarHBondContact O-N 2.89Å
181E98.8Very high98.3Very high8 Ų829.1 Ų29.14%0.03718%0.183CC..G310 helixtrans-43.5-50.8166.9176.4-167.1-98.400110.5G116 G117 K168 C183 T184 L187 P190 L191G116-E181 WeakPolarHBondContact CA-OE2 3.27Å; G116-E181 PolarHBondContact N-OE2 3.41Å; G117-E181 WeakPolarHBondContact CA-O 3.47Å; K168-E181 HydrophobicContact CB-CB 3.93Å; K168-E181 IonicContact NZ-OE1 3.05Å; K168-E181 PolarHBondContact NZ-OE1 2.6Å; K168-E181 IonicContact NZ-OE2 3.28Å; K168-E181 WeakPolarHBondContact O-CB 3.32Å; K168-E181 PolarHBondContact O-N 3.05Å; E181-C183 PolarHBondContact O-N 2.92Å; E181-C183 VanDerWaalsContact O-N 3.11Å; E181-T184 PolarHBondContact O-N 3.21Å; E181-T184 VanDerWaalsContact O-N 3.1Å; E181-T184 PolarHBondContact O-OG1 3.47Å; E181-L187 HydrophobicContact CB-CD1 4.34Å; E181-L187 HydrophobicContact CG-CD1 3.84Å; E181-P190 WeakPolarHBondContact OE1-CA 3.36Å; E181-L191 HydrophobicContact CB-CD1 4.06Å; E181-L191 HydrophobicContact CB-CG 4.46Å; E181-L191 HydrophobicContact CG-CG 4.39Å; E181-L191 PolarHBondContact OE1-N 3.26Å
182A98.8Very high98.3Very high4 Ų426.7 Ų26.73%0.03317%0.172CC..G310 helixtrans-66.6-16.1-174.800000114.7D16 L18 T113 K114 A118 H180D16-A182 WeakPolarHBondContact O-CB 3.45Å; L18-A182 HydrophobicContact CD2-CB 3.79Å; L18-A182 HydrophobicContact CG-CB 4.11Å; T113-A182 VanDerWaalsContact CA-O 3.25Å; T113-A182 WeakPolarHBondContact CA-O 3.26Å; T113-A182 VanDerWaalsContact CB-O 3.31Å; T113-A182 WeakPolarHBondContact CB-O 3.42Å; T113-A182 WeakPolarHBondContact CG2-O 3.44Å; K114-A182 PolarHBondContact N-O 3.14Å; K114-A182 WeakPolarHBondContact O-CA 3.24Å; K114-A182 VanDerWaalsContact O-CB 3.32Å; K114-A182 WeakPolarHBondContact O-CB 3.37Å; A118-A182 WeakPolarHBondContact CB-O 3.08Å; H180-A182 PolarHBondContact O-N 3.17Å
183C98.9Very high98.3Very high0 Ų029.2 Ų29.20%018%0.182CC..G310 helixtrans-100.4-8.1178.4-61.60000113.6M128 C157 Y158 H180 E181M128-C183 HydrophobicContact CE-CB 4.27Å; M128-C183 VanDerWaalsContact CE-O 3.27Å; M128-C183 WeakPolarHBondContact CE-O 3.15Å; C157-C183 WeakPolarHBondContact SG-CB 3.46Å; Y158-C183 HydrophobicContact CD2-CB 4.23Å; H180-C183 HydrophobicContact CB-CB 4.19Å; H180-C183 PolarHBondContact O-N 3.45Å; E181-C183 PolarHBondContact O-N 2.92Å; E181-C183 VanDerWaalsContact O-N 3.11Å
184T98.8Very high98.2Very high0 Ų026 Ų260%015%0.149CC..  trans-88.3151.5177.764.10000112A118 L170 F179 H180 E181 L187 F200 E210A118-T184 VanDerWaalsContact CB-O 3.31Å; A118-T184 WeakPolarHBondContact CB-O 3.48Å; A118-T184 PolarHBondContact N-O 2.86Å; L170-T184 HydrophobicContact CD1-CG2 4.4Å; F179-T184 HydrophobicContact CB-CG2 4.45Å; H180-T184 WeakPolarHBondContact O-CG2 3.14Å; H180-T184 PolarHBondContact O-N 2.89Å; E181-T184 PolarHBondContact O-N 3.21Å; E181-T184 VanDerWaalsContact O-N 3.1Å; E181-T184 PolarHBondContact O-OG1 3.47Å; T184-L187 WeakPolarHBondContact OG1-CD1 3.41Å; T184-F200 HydrophobicContact CG2-CE2 4.25Å; T184-F200 HydrophobicContact CG2-CZ 4.12Å; T184-E210 WeakPolarHBondContact CA-OE2 3.18Å; T184-E210 WeakPolarHBondContact CB-OE2 3.22Å
185Q98.8Very high98.2Very high26 Ų2622.8 Ų22.812%0.12113%0.126CC..SBendtrans-115.30.5176.8-68.7173.6-84.700112.9A118 L119 K120 A125 M128 E210A118-Q185 HydrophobicContact CB-CG 3.82Å; L119-Q185 PolarHBondContact O-NE2 3.03Å; K120-Q185 WeakPolarHBondContact CD-O 3.27Å; K120-Q185 VanDerWaalsContact CE-O 3.24Å; K120-Q185 WeakPolarHBondContact CE-O 3.32Å; A125-Q185 PolarHBondContact O-NE2 3.37Å; M128-Q185 HydrophobicContact SD-CG 4.44Å; Q185-E210 PolarHBondContact N-OE2 2.97Å
186C98.3Very high98.2Very high28 Ų2823.9 Ų23.919%0.18913%0.125CC..  trans-92.8-23.9-176.557.80000115E210 V212C186-E210 HydrophobicContact CB-CB 3.8Å; C186-E210 PolarHBondContact N-OE2 3.14Å; C186-E210 PolarHBondContact SG-OE2 2.93Å; C186-V212 HydrophobicContact CB-CB 4.17Å; C186-V212 HydrophobicContact CB-CG1 3.61Å
187L98Very high98.2Very high7 Ų723.5 Ų23.54%0.03712%0.118CC..  trans-67.8130.8-171.6-72.1176.3000114.3K120 L170 E181 T184 L191 Y198 V212K120-L187 VanDerWaalsContact CE-O 3.29Å; K120-L187 WeakPolarHBondContact CE-O 3.23Å; K120-L187 PolarHBondContact NZ-O 3.19Å; L170-L187 HydrophobicContact CD1-CD2 4.08Å; L170-L187 HydrophobicContact CD1-CG 4.42Å; E181-L187 HydrophobicContact CB-CD1 4.34Å; E181-L187 HydrophobicContact CG-CD1 3.84Å; T184-L187 WeakPolarHBondContact OG1-CD1 3.41Å; L187-L191 HydrophobicContact CD1-CD1 4.08Å; L187-L191 HydrophobicContact CD1-CD2 4.09Å; L187-L191 HydrophobicContact CD1-CG 3.78Å; L187-L191 HydrophobicContact CD2-CD2 3.85Å; L187-L191 HydrophobicContact CD2-CG 4.47Å; L187-Y198 HydrophobicContact CD2-CE1 4.39Å; L187-V212 HydrophobicContact CD2-CG2 4.44Å
188L96.1Very high98.1Very high133 Ų13324.8 Ų24.870%0.69612%0.123SC*.SBendtrans-80-35174.7-177.561.5000112.7L257L188-L257 HydrophobicContact CD2-CD2 4.26Å
189K97.6Very high98.1Very high68 Ų6829.5 Ų29.530%0.29615%0.145SC..SBendtrans-134.5153.2-177.4-60.2-69.1-173.31720109.2L257K189-L257 HydrophobicContact CB-CD1 4.2Å; K189-L257 HydrophobicContact CB-CG 4.41Å; K189-L257 HydrophobicContact CG-CD1 4.19Å; K189-L257 HydrophobicContact CG-CD2 3.9Å; K189-L257 HydrophobicContact CG-CG 4.09Å
190P97.4Very high98.1Very high64 Ų6429.6 Ų29.642%0.41615%0.146SC..PPolyproline II helixtrans-59.1146.9173.9-2233.3000112.1E181E181-P190 WeakPolarHBondContact OE1-CA 3.36Å
191L98.1Very high98.1Very high3 Ų332.7 Ų32.72%0.01616%0.16CC..PPolyproline II helixtrans-73.4146.5176.9-62.1177.2000111.2K168 L170 E181 L187 Y198K168-L191 HydrophobicContact CB-CB 4.36Å; K168-L191 HydrophobicContact CG-CB 4.23Å; K168-L191 PolarHBondContact NZ-O 3.39Å; L170-L191 HydrophobicContact CD2-CD1 3.95Å; L170-L191 HydrophobicContact CD2-CD2 4.05Å; L170-L191 HydrophobicContact CG-CD1 3.88Å; E181-L191 HydrophobicContact CB-CD1 4.06Å; E181-L191 HydrophobicContact CB-CG 4.46Å; E181-L191 HydrophobicContact CG-CG 4.39Å; E181-L191 PolarHBondContact OE1-N 3.26Å; L187-L191 HydrophobicContact CD1-CD1 4.08Å; L187-L191 HydrophobicContact CD1-CD2 4.09Å; L187-L191 HydrophobicContact CD1-CG 3.78Å; L187-L191 HydrophobicContact CD2-CD2 3.85Å; L187-L191 HydrophobicContact CD2-CG 4.47Å; L191-Y198 HydrophobicContact CD2-CD2 4.05Å; L191-Y198 HydrophobicContact CD2-CE2 3.37Å
192L98.3Very high98.1Very high15 Ų1532.3 Ų32.38%0.07916%0.159CC..PPolyproline II helixtrans-81.1150.4160.9-83.766.6000109.2G194 D195 L225 H229 F248 L256L192-G194 PolarHBondContact O-N 3Å; L192-D195 HydrophobicContact CB-CB 4.14Å; L192-D195 VanDerWaalsContact O-CB 3.28Å; L192-D195 WeakPolarHBondContact O-CB 3.34Å; L192-D195 PolarHBondContact O-N 3.45Å; L192-D195 VanDerWaalsContact O-N 3.17Å; L192-L225 HydrophobicContact CB-CD1 4.14Å; L192-L225 HydrophobicContact CB-CD2 4.33Å; L192-L225 HydrophobicContact CB-CG 4.24Å; L192-L225 HydrophobicContact CD2-CD2 4.07Å; L192-L225 HydrophobicContact CD2-CG 3.95Å; L192-H229 HydrophobicContact CB-CB 4.42Å; L192-H229 HydrophobicContact CD2-CB 4.19Å; L192-H229 HydrophobicContact CG-CB 4.4Å; L192-F248 HydrophobicContact CD2-CE1 4.08Å; L192-F248 HydrophobicContact CD2-CZ 4.24Å; L192-L256 HydrophobicContact CD1-CD2 3.89Å; L192-L256 HydrophobicContact CD2-CD2 3.49Å; L192-L256 VanDerWaalsContact CD2-CD2 3.49Å; L192-L256 HydrophobicContact CG-CD2 4.36Å
193Y98.5Very high98.1Very high54 Ų5432.1 Ų32.121%0.21216%0.157CC..THydrogen-bonded Turntrans-55.5136.2166.7-58-45.1000111.2N166 L167 K168 D195 L225 Y228 H229 L232 C233N166-Y193 CarbonylContact O-C 3.6Å; N166-Y193 WeakPolarHBondContact O-CA 3.21Å; L167-Y193 HydrophobicContact CB-CD1 4.22Å; L167-Y193 HydrophobicContact CB-CE1 4.28Å; L167-Y193 HydrophobicContact CD2-CD1 3.77Å; L167-Y193 HydrophobicContact CD2-CE1 4.11Å; L167-Y193 HydrophobicContact CD2-CG 4.08Å; K168-Y193 HydrophobicContact CD-CD1 4.36Å; K168-Y193 HydrophobicContact CD-CE1 3.8Å; K168-Y193 HydrophobicContact CG-CD1 3.78Å; K168-Y193 HydrophobicContact CG-CE1 3.71Å; Y193-D195 PolarHBondContact O-N 2.93Å; Y193-L225 WeakPolarHBondContact O-CD1 3.23Å; Y193-Y228 WeakPolarHBondContact O-CD1 3.46Å; Y193-H229 AromaticContact CD2-CE1 4Å; Y193-H229 AromaticContact CD2-ND1 3.82Å; Y193-H229 PolarHBondContact N-ND1 3.14Å; Y193-L232 HydrophobicContact CD2-CB 3.85Å; Y193-L232 HydrophobicContact CD2-CD1 4.28Å; Y193-L232 HydrophobicContact CE2-CB 4.44Å; Y193-L232 HydrophobicContact CG-CD1 4.12Å; Y193-C233 WeakPolarHBondContact CE2-SG 3.31Å
194G96.9Very high98.1Very high2 Ų234.2 Ų34.22%0.02117%0.169CC..THydrogen-bonded Turntrans71.94.8-177.700000115.1N166 L192 R196N166-G194 PolarHBondContact O-N 3.36Å; L192-G194 PolarHBondContact O-N 3Å; G194-R196 PolarHBondContact O-N 2.94Å
195D98.1Very high98.1Very high9 Ų936.4 Ų36.45%0.04818%0.184CC..  trans-75.994.1-177.8-162.4-17.3000111.9L192 Y193 F197 Y198 R214 L225L192-D195 HydrophobicContact CB-CB 4.14Å; L192-D195 VanDerWaalsContact O-CB 3.28Å; L192-D195 WeakPolarHBondContact O-CB 3.34Å; L192-D195 PolarHBondContact O-N 3.45Å; L192-D195 VanDerWaalsContact O-N 3.17Å; Y193-D195 PolarHBondContact O-N 2.93Å; D195-F197 WeakPolarHBondContact OD1-CB 3.45Å; D195-F197 PolarHBondContact OD1-N 3.1Å; D195-Y198 HydrophobicContact CB-CE2 4.42Å; D195-R214 IonicContact OD1-CZ 3.33Å; D195-R214 IonicContact OD1-NH1 2.74Å; D195-R214 PolarHBondContact OD1-NH1 3.47Å; D195-R214 IonicContact OD1-NH2 3.71Å; D195-R214 IonicContact OD2-CZ 3.69Å; D195-R214 VanDerWaalsContact OD2-CZ 3.31Å; D195-R214 IonicContact OD2-NH1 2.77Å; D195-R214 PolarHBondContact OD2-NH1 3.22Å; D195-R214 IonicContact OD2-NH2 3.71Å; D195-R214 PolarHBondContact OD2-NH2 2.87Å; D195-L225 HydrophobicContact CB-CD1 3.8Å; D195-L225 HydrophobicContact CB-CD2 4.05Å; D195-L225 WeakPolarHBondContact OD2-CD2 3.4Å
196R97.2Very high98.1Very high59 Ų5937.2 Ų37.222%0.22319%0.191CC..  trans-92.94.1175.3-69.2176.663-148.80.8113.4W165 G194 Y198 L307 D310W165-R196 HydrophobicContact CZ3-CG 4.5Å; G194-R196 PolarHBondContact O-N 2.94Å; R196-Y198 PolarHBondContact O-N 3.08Å; R196-L307 HydrophobicContact CB-CD1 3.98Å; R196-L307 HydrophobicContact CB-CD2 4.03Å; R196-L307 HydrophobicContact CB-CG 4.04Å; R196-D310 IonicContact CZ-OD1 3.57Å; R196-D310 IonicContact CZ-OD2 2.75Å; R196-D310 IonicContact NH1-OD1 3.13Å; R196-D310 IonicContact NH1-OD2 2.84Å; R196-D310 PolarHBondContact NH1-OD2 2.99Å; R196-D310 IonicContact NH2-OD1 2.82Å; R196-D310 PolarHBondContact NH2-OD1 3.26Å; R196-D310 IonicContact NH2-OD2 3.79Å
197F97.8Very high98Very high9 Ų944.7 Ų44.74%0.03922%0.22CC..  trans-78.155.8-176.9-68.6-94.8000111.5D195 R214 L215 M217 D221 P305 L307D195-F197 WeakPolarHBondContact OD1-CB 3.45Å; D195-F197 PolarHBondContact OD1-N 3.1Å; F197-R214 VanDerWaalsContact O-CD 3.31Å; F197-R214 WeakPolarHBondContact O-CD 3.37Å; F197-R214 PolarHBondContact O-NH1 2.9Å; F197-R214 VanDerWaalsContact O-NH1 3.15Å; F197-L215 HydrophobicContact CB-CB 4.13Å; F197-L215 HydrophobicContact CD1-CB 4.43Å; F197-L215 PolarHBondContact O-N 3.16Å; F197-M217 HydrophobicContact CD1-CB 3.98Å; F197-M217 HydrophobicContact CD2-CE 3.97Å; F197-M217 HydrophobicContact CE1-CB 4.11Å; F197-M217 HydrophobicContact CE2-CE 4.25Å; F197-M217 HydrophobicContact CG-CB 4.45Å; F197-M217 HydrophobicContact CG-CE 4.21Å; F197-D221 HydrophobicContact CE1-CB 4.02Å; F197-D221 HydrophobicContact CE2-CB 4.14Å; F197-D221 HydrophobicContact CZ-CB 3.5Å; F197-P305 HydrophobicContact CE2-CB 3.91Å; F197-P305 HydrophobicContact CE2-CG 4.27Å; F197-P305 HydrophobicContact CZ-CB 4.28Å; F197-L307 HydrophobicContact CD1-CD2 4.01Å; F197-L307 HydrophobicContact CD2-CD2 4.33Å; F197-L307 HydrophobicContact CE1-CD2 4.03Å; F197-L307 HydrophobicContact CE2-CD2 4.34Å; F197-L307 HydrophobicContact CG-CD2 4.14Å; F197-L307 HydrophobicContact CZ-CD2 4.17Å
198Y97.8Very high98Very high26 Ų2645.1 Ų45.110%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-142.2136.5179.2-70.1-83.5000110.5L170 L187 L191 D195 R196 V212 Q213 R214L170-Y198 HydrophobicContact CD2-CD2 3.77Å; L170-Y198 HydrophobicContact CD2-CG 3.83Å; L187-Y198 HydrophobicContact CD2-CE1 4.39Å; L191-Y198 HydrophobicContact CD2-CD2 4.05Å; L191-Y198 HydrophobicContact CD2-CE2 3.37Å; D195-Y198 HydrophobicContact CB-CE2 4.42Å; R196-Y198 PolarHBondContact O-N 3.08Å; Y198-V212 HydrophobicContact CD1-CG2 3.63Å; Y198-V212 HydrophobicContact CE1-CG2 4.29Å; Y198-V212 HydrophobicContact CG-CG2 4.42Å; Y198-Q213 CarbonylContact C-O 3.53Å; Y198-Q213 VanDerWaalsContact CA-O 3.28Å; Y198-Q213 WeakPolarHBondContact CA-O 3.33Å; Y198-R214 HydrophobicContact CE1-CB 4.35Å; Y198-R214 VanDerWaalsContact CZ-NH1 3.34Å
199Q97.8Very high98.2Very high103 Ų10343.4 Ų43.448%0.48122%0.223SC..EExtended strand (participates in β ladder)trans-95.6113.8159.7-174.4176.29.800107.7V212 Q213 L215Q199-V212 CarbonylContact O-C 3.37Å; Q199-V212 WeakPolarHBondContact O-CA 3.4Å; Q199-Q213 HydrophobicContact CB-CB 4.34Å; Q199-Q213 PolarHBondContact N-O 3.13Å; Q199-Q213 PolarHBondContact O-N 3.34Å; Q199-L215 HydrophobicContact CB-CD2 4.27Å
200F98.8Very high98.2Very high2 Ų241 Ų411%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-123.7137-174.6171.4-108.5000111L170 C172 G173 F179 T184 C202 E210 T211 V212L170-F200 HydrophobicContact CB-CB 4.16Å; L170-F200 HydrophobicContact CB-CD1 3.69Å; L170-F200 HydrophobicContact CB-CD2 4.48Å; L170-F200 HydrophobicContact CB-CE1 4.19Å; L170-F200 HydrophobicContact CB-CG 3.86Å; L170-F200 HydrophobicContact CD1-CB 4.25Å; L170-F200 HydrophobicContact CD1-CD1 4.43Å; L170-F200 HydrophobicContact CD1-CD2 3.74Å; L170-F200 HydrophobicContact CD1-CE2 4.16Å; L170-F200 HydrophobicContact CD1-CG 3.88Å; L170-F200 HydrophobicContact CG-CG 4.48Å; C172-F200 WeakPolarHBondContact CA-O 3.31Å; C172-F200 HydrophobicContact CB-CD1 4.26Å; C172-F200 HydrophobicContact CB-CE1 4.36Å; G173-F200 PolarHBondContact N-O 3.13Å; F179-F200 HydrophobicContact CB-CE1 3.94Å; F179-F200 HydrophobicContact CB-CZ 4.28Å; F179-F200 HydrophobicContact CD2-CD1 4.46Å; F179-F200 AromaticContact CD2-CE1 3.6Å; F179-F200 HydrophobicContact CD2-CE1 3.6Å; F179-F200 HydrophobicContact CD2-CZ 4.47Å; F179-F200 HydrophobicContact CE2-CE1 4.33Å; F179-F200 AromaticContact CG-CE1 3.84Å; F179-F200 HydrophobicContact CG-CE1 3.84Å; F179-F200 HydrophobicContact CG-CZ 4.32Å; T184-F200 HydrophobicContact CG2-CE2 4.25Å; T184-F200 HydrophobicContact CG2-CZ 4.12Å; F200-C202 HydrophobicContact CE1-CB 3.9Å; F200-C202 HydrophobicContact CZ-CB 4.04Å; F200-E210 HydrophobicContact CE2-CB 3.9Å; F200-E210 HydrophobicContact CE2-CG 3.73Å; F200-E210 HydrophobicContact CZ-CG 3.97Å; F200-T211 WeakPolarHBondContact CA-O 3.39Å; F200-T211 WeakPolarHBondContact CD2-O 3.45Å; F200-V212 HydrophobicContact CD2-CB 4.37Å
201Q98.8Very high98.3Very high67 Ų6741.3 Ų41.331%0.31321%0.214SC..EExtended strand (participates in β ladder)trans-123.8128.4166.5-55.6-174.724.300110.2T206 E210 T211Q201-T206 HydrophobicContact CB-CG2 3.58Å; Q201-E210 WeakPolarHBondContact O-CA 3.21Å; Q201-T211 WeakPolarHBondContact CB-OG1 3.28Å; Q201-T211 PolarHBondContact N-O 2.73Å; Q201-T211 PolarHBondContact O-N 3.48Å; Q201-T211 VanDerWaalsContact O-N 3.16Å
202C98.9Very high98.3Very high0 Ų043.5 Ų43.50%023%0.227CC..  trans-77.1160.3-177.876.60000112.2Y158 C172 F179 F200 V204 C205 T206Y158-C202 HydrophobicContact CE1-CB 4.01Å; Y158-C202 VanDerWaalsContact OH-CA 3.32Å; Y158-C202 WeakPolarHBondContact OH-CA 3.38Å; Y158-C202 VanDerWaalsContact OH-CB 3.31Å; Y158-C202 WeakPolarHBondContact OH-CB 3.33Å; C172-C202 HydrophobicContact CB-CB 4.14Å; C172-C202 PolarHBondContact SG-N 2.84Å; C172-C202 VanDerWaalsContact SG-N 3.39Å; C172-C202 VanDerWaalsContact SG-SG 3.65Å; F179-C202 HydrophobicContact CD1-CB 4.26Å; F179-C202 HydrophobicContact CD2-CB 4.11Å; F179-C202 HydrophobicContact CE1-CB 3.76Å; F179-C202 HydrophobicContact CE2-CB 3.58Å; F179-C202 HydrophobicContact CG-CB 4.43Å; F179-C202 HydrophobicContact CZ-CB 3.39Å; F179-C202 VanDerWaalsContact CZ-SG 3.56Å; F200-C202 HydrophobicContact CE1-CB 3.9Å; F200-C202 HydrophobicContact CZ-CB 4.04Å; C202-V204 PolarHBondContact O-N 3.3Å; C202-V204 VanDerWaalsContact O-N 3.14Å; C202-C205 PolarHBondContact O-N 2.84Å; C202-C205 VanDerWaalsContact O-N 3.1Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C202-T206 PolarHBondContact O-N 3.2Å; C202-T206 PolarHBondContact O-OG1 2.87Å
203S98.8Very high98.2Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-60.8-24.1-178.6-720000115Q129 Y158 K207 G208Q129-S203 PolarHBondContact NE2-OG 2.79Å; Q129-S203 PolarHBondContact OE1-OG 2.9Å; Y158-S203 PolarHBondContact OH-N 3.12Å; S203-K207 WeakPolarHBondContact O-CA 3.25Å; S203-K207 PolarHBondContact O-N 2.78Å; S203-K207 VanDerWaalsContact O-N 3.11Å; S203-G208 WeakPolarHBondContact CA-O 3.2Å; S203-G208 WeakPolarHBondContact CB-O 3.09Å; S203-G208 PolarHBondContact O-N 3.34Å; S203-G208 PolarHBondContact OG-O 2.88Å
204V98.7Very high98.2Very high43 Ų4348 Ų4826%0.26125%0.247SC..Hα-helixtrans-70.5-45.7176.4-1770000110K132 L135 Y158 C202 K207K132-V204 VanDerWaalsContact O-CG2 3.23Å; K132-V204 WeakPolarHBondContact O-CG2 3.32Å; L135-V204 HydrophobicContact CD1-CG2 4.44Å; L135-V204 HydrophobicContact CD2-CG2 3.87Å; L135-V204 HydrophobicContact CG-CG2 3.81Å; Y158-V204 HydrophobicContact CD1-CG2 4.3Å; Y158-V204 HydrophobicContact CE1-CG2 4.19Å; C202-V204 PolarHBondContact O-N 3.3Å; C202-V204 VanDerWaalsContact O-N 3.14Å; V204-K207 PolarHBondContact O-N 2.71Å
205C98.7Very high98.1Very high46 Ų4650.2 Ų50.231%0.31126%0.259SS..Hα-helixtrans-74.3-38.9-178.7-660000112.2C202 K207C202-C205 PolarHBondContact O-N 2.84Å; C202-C205 VanDerWaalsContact O-N 3.1Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C205-K207 PolarHBondContact O-N 3.35Å
206T98.6Very high97.9Very high43 Ų4355.2 Ų55.226%0.26429%0.292SS..Hα-helixtrans-76.8-11.7176.564.10000113.1Q201 C202 G208 P209 T211Q201-T206 HydrophobicContact CB-CG2 3.58Å; C202-T206 PolarHBondContact O-N 3.2Å; C202-T206 PolarHBondContact O-OG1 2.87Å; T206-G208 PolarHBondContact O-N 3.25Å; T206-G208 PolarHBondContact OG1-N 3.38Å; T206-G208 PolarHBondContact OG1-O 3.43Å; T206-G208 VanDerWaalsContact OG1-O 3.09Å; T206-P209 PolarHBondContact OG1-O 2.84Å; T206-T211 HydrophobicContact CG2-CG2 4.39Å
207K98.3Very high97.8Very high186 Ų18653.1 Ų53.181%0.80929%0.285SS*.THydrogen-bonded Turntrans52.533.6-170.9-55176.2-176.6176.10112S203 V204 C205S203-K207 WeakPolarHBondContact O-CA 3.25Å; S203-K207 PolarHBondContact O-N 2.78Å; S203-K207 VanDerWaalsContact O-N 3.11Å; V204-K207 PolarHBondContact O-N 2.71Å; C205-K207 PolarHBondContact O-N 3.35Å
208G97.9Very high97.8Very high15 Ų1556.1 Ų56.116%0.15530%0.304CS..SBendtrans-177.8-156.6-170.300000112.5Q129 S203 T206Q129-G208 PolarHBondContact NE2-O 3.17Å; S203-G208 WeakPolarHBondContact CA-O 3.2Å; S203-G208 WeakPolarHBondContact CB-O 3.09Å; S203-G208 PolarHBondContact O-N 3.34Å; S203-G208 PolarHBondContact OG-O 2.88Å; T206-G208 PolarHBondContact O-N 3.25Å; T206-G208 PolarHBondContact OG1-N 3.38Å; T206-G208 PolarHBondContact OG1-O 3.43Å; T206-G208 VanDerWaalsContact OG1-O 3.09Å
209P98.4Very high97.8Very high98 Ų9856.9 Ų56.964%0.63631%0.306SS*.SBendtrans-54.2147173.3-25.936000112.4T206T206-P209 PolarHBondContact OG1-O 2.84Å
210E98.8Very high97.8Very high17 Ų1752.9 Ų52.98%0.07929%0.289CS..  trans-61.5147.5171.7-73.6151.8-168.400111.2K132 Y158 T184 Q185 C186 F200 Q201K132-E210 IonicContact NZ-OE1 2.88Å; K132-E210 PolarHBondContact NZ-OE1 2.84Å; K132-E210 IonicContact NZ-OE2 2.6Å; Y158-E210 WeakPolarHBondContact CE2-OE1 3.29Å; Y158-E210 VanDerWaalsContact CZ-OE1 3.32Å; Y158-E210 VanDerWaalsContact OH-CG 3.25Å; Y158-E210 WeakPolarHBondContact OH-CG 3.33Å; Y158-E210 PolarHBondContact OH-OE1 3.21Å; T184-E210 WeakPolarHBondContact CA-OE2 3.18Å; T184-E210 WeakPolarHBondContact CB-OE2 3.22Å; Q185-E210 PolarHBondContact N-OE2 2.97Å; C186-E210 HydrophobicContact CB-CB 3.8Å; C186-E210 PolarHBondContact N-OE2 3.14Å; C186-E210 PolarHBondContact SG-OE2 2.93Å; F200-E210 HydrophobicContact CE2-CB 3.9Å; F200-E210 HydrophobicContact CE2-CG 3.73Å; F200-E210 HydrophobicContact CZ-CG 3.97Å; Q201-E210 WeakPolarHBondContact O-CA 3.21Å
211T98.6Very high97.7Very high70 Ų7053.4 Ų53.443%0.42929%0.292SS..EExtended strand (participates in β ladder)trans-110.8139.3165.663.30000109.5F200 Q201 T206F200-T211 WeakPolarHBondContact CA-O 3.39Å; F200-T211 WeakPolarHBondContact CD2-O 3.45Å; Q201-T211 WeakPolarHBondContact CB-OG1 3.28Å; Q201-T211 PolarHBondContact N-O 2.73Å; Q201-T211 PolarHBondContact O-N 3.48Å; Q201-T211 VanDerWaalsContact O-N 3.16Å; T206-T211 HydrophobicContact CG2-CG2 4.39Å
212V98.4Very high97.7Very high49 Ų4950.2 Ų50.230%0.29728%0.277SS..EExtended strand (participates in β ladder)trans-141.9132.5177.268.90000109.5L170 C186 L187 Y198 Q199 F200L170-V212 HydrophobicContact CD1-CG2 4.5Å; C186-V212 HydrophobicContact CB-CB 4.17Å; C186-V212 HydrophobicContact CB-CG1 3.61Å; L187-V212 HydrophobicContact CD2-CG2 4.44Å; Y198-V212 HydrophobicContact CD1-CG2 3.63Å; Y198-V212 HydrophobicContact CE1-CG2 4.29Å; Y198-V212 HydrophobicContact CG-CG2 4.42Å; Q199-V212 CarbonylContact O-C 3.37Å; Q199-V212 WeakPolarHBondContact O-CA 3.4Å; F200-V212 HydrophobicContact CD2-CB 4.37Å
213Q97.6Very high97.7Very high116 Ų11650.2 Ų50.254%0.54228%0.277SS..EExtended strand (participates in β ladder)trans-128.8127.8173.9178.3177.2-8.700108.8Y198 Q199Y198-Q213 CarbonylContact C-O 3.53Å; Y198-Q213 VanDerWaalsContact CA-O 3.28Å; Y198-Q213 WeakPolarHBondContact CA-O 3.33Å; Q199-Q213 HydrophobicContact CB-CB 4.34Å; Q199-Q213 PolarHBondContact N-O 3.13Å; Q199-Q213 PolarHBondContact O-N 3.34Å
214R97.1Very high97.6Very high47 Ų4750.8 Ų50.818%0.17728%0.28CS..EExtended strand (participates in β ladder)trans-71.4126.9172.4-179.558.7170.1175.4-9108.9D195 F197 Y198 L256 L257D195-R214 IonicContact OD1-CZ 3.33Å; D195-R214 IonicContact OD1-NH1 2.74Å; D195-R214 PolarHBondContact OD1-NH1 3.47Å; D195-R214 IonicContact OD1-NH2 3.71Å; D195-R214 IonicContact OD2-CZ 3.69Å; D195-R214 VanDerWaalsContact OD2-CZ 3.31Å; D195-R214 IonicContact OD2-NH1 2.77Å; D195-R214 PolarHBondContact OD2-NH1 3.22Å; D195-R214 IonicContact OD2-NH2 3.71Å; D195-R214 PolarHBondContact OD2-NH2 2.87Å; F197-R214 VanDerWaalsContact O-CD 3.31Å; F197-R214 WeakPolarHBondContact O-CD 3.37Å; F197-R214 PolarHBondContact O-NH1 2.9Å; F197-R214 VanDerWaalsContact O-NH1 3.15Å; Y198-R214 HydrophobicContact CE1-CB 4.35Å; Y198-R214 VanDerWaalsContact CZ-NH1 3.34Å; R214-L256 PolarHBondContact NH2-O 3.25Å; R214-L257 HydrophobicContact CG-CB 4Å; R214-L257 VanDerWaalsContact CG-O 3.25Å; R214-L257 WeakPolarHBondContact CG-O 3.34Å; R214-L257 PolarHBondContact NE-O 2.87Å; R214-L257 VanDerWaalsContact NE-O 3.14Å
215L95.9Very high97.6Very high50 Ų5048.8 Ų48.826%0.26227%0.267SS..PPolyproline II helixtrans-81.2147.6176-62.8176.9000110.3F197 Q199F197-L215 HydrophobicContact CB-CB 4.13Å; F197-L215 HydrophobicContact CD1-CB 4.43Å; F197-L215 PolarHBondContact O-N 3.16Å; Q199-L215 HydrophobicContact CB-CD2 4.27Å
216P94.1Very high97.6Very high114 Ų11446.6 Ų46.674%0.7425%0.253SS*.PPolyproline II helixtrans-62.2148.4173.828.4-34.8000110.1
217M94.8Very high97.6Very high14 Ų1444.6 Ų44.67%0.06924%0.24CC..  trans-136.7149.117976.1-167.1-34.100110.8F197 D221 L225 L258 L261F197-M217 HydrophobicContact CD1-CB 3.98Å; F197-M217 HydrophobicContact CD2-CE 3.97Å; F197-M217 HydrophobicContact CE1-CB 4.11Å; F197-M217 HydrophobicContact CE2-CE 4.25Å; F197-M217 HydrophobicContact CG-CB 4.45Å; F197-M217 HydrophobicContact CG-CE 4.21Å; M217-D221 HydrophobicContact CB-CB 4.05Å; M217-D221 HydrophobicContact CE-CB 4.42Å; M217-L225 HydrophobicContact CE-CD2 3.86Å; M217-L258 HydrophobicContact CG-CD2 4.36Å; M217-L258 HydrophobicContact SD-CD2 3.46Å; M217-L258 WeakPolarHBondContact SD-CD2 3.37Å; M217-L261 WeakPolarHBondContact O-CD1 3.34Å
218T96.4Very high97.6Very high72 Ų7236 Ų3644%0.44220%0.203SC..  trans-88.7170.3175.469.80000111.2V220 D221 L222T218-V220 PolarHBondContact O-N 2.74Å; T218-V220 PolarHBondContact OG1-N 2.69Å; T218-D221 WeakPolarHBondContact CB-OD2 3.37Å; T218-D221 PolarHBondContact N-OD2 2.84Å; T218-D221 PolarHBondContact O-N 2.77Å; T218-D221 PolarHBondContact OG1-N 2.75Å; T218-D221 PolarHBondContact OG1-OD2 3.1Å; T218-L222 PolarHBondContact O-N 3.3Å
219W97.9Very high97.7Very high42 Ų4236.4 Ų36.416%0.15920%0.201CC..Hα-helixtrans-58.7-30.6170.4-75.5103.8000113.3L222 A223 W253 L261 T264 R269 N272 L273 A276W219-L222 HydrophobicContact CE3-CD2 4Å; W219-L222 HydrophobicContact CZ3-CD2 3.98Å; W219-A223 WeakPolarHBondContact O-CB 3.39Å; W219-A223 PolarHBondContact O-N 2.82Å; W219-W253 AromaticContact CH2-CH2 3.48Å; W219-W253 HydrophobicContact CH2-CH2 3.48Å; W219-W253 VanDerWaalsContact CH2-CH2 3.48Å; W219-W253 HydrophobicContact CH2-CZ2 4.41Å; W219-W253 HydrophobicContact CH2-CZ3 4.23Å; W219-W253 HydrophobicContact CZ2-CH2 4.32Å; W219-W253 AromaticContact CZ3-CH2 3.94Å; W219-W253 HydrophobicContact CZ3-CH2 3.94Å; W219-W253 HydrophobicContact CZ3-CZ3 4.29Å; W219-L261 HydrophobicContact CD2-CD1 4.32Å; W219-L261 HydrophobicContact CG-CD1 4.39Å; W219-T264 HydrophobicContact CH2-CG2 4.11Å; W219-T264 HydrophobicContact CZ2-CG2 3.75Å; W219-R269 HydrophobicContact CH2-CB 4.11Å; W219-R269 HydrophobicContact CH2-CG 4.11Å; W219-N272 HydrophobicContact CD2-CB 3.51Å; W219-N272 VanDerWaalsContact CE2-CB 3.41Å; W219-N272 HydrophobicContact CE3-CB 3.82Å; W219-N272 HydrophobicContact CG-CB 4.03Å; W219-N272 HydrophobicContact CH2-CB 3.92Å; W219-N272 HydrophobicContact CZ2-CB 3.66Å; W219-N272 WeakPolarHBondContact CZ2-ND2 3.28Å; W219-N272 HydrophobicContact CZ3-CB 4.01Å; W219-L273 HydrophobicContact CE3-CB 4.26Å; W219-L273 HydrophobicContact CE3-CD1 4.17Å; W219-L273 HydrophobicContact CZ3-CB 4.24Å; W219-L273 HydrophobicContact CZ3-CD1 4.48Å; W219-A276 HydrophobicContact CB-CB 4.03Å
220V97.8Very high97.6Very high19 Ų1932.1 Ų32.112%0.11517%0.172CC..Hα-helixtrans-68.7-44.9177.2-169.70000110.3T218 A223 H224 A276 H280 F284T218-V220 PolarHBondContact O-N 2.74Å; T218-V220 PolarHBondContact OG1-N 2.69Å; V220-A223 PolarHBondContact O-N 2.77Å; V220-H224 WeakPolarHBondContact O-CB 3.45Å; V220-H224 PolarHBondContact O-N 2.79Å; V220-A276 HydrophobicContact CG2-CB 4.31Å; V220-H280 HydrophobicContact CG1-CB 4.19Å; V220-H280 WeakPolarHBondContact CG2-CE1 3.25Å; V220-H280 WeakPolarHBondContact CG2-NE2 3.4Å; V220-F284 HydrophobicContact CG1-CE2 4.06Å; V220-F284 HydrophobicContact CG1-CZ 4.31Å
221D97.7Very high97.6Very high14 Ų1431.5 Ų31.58%0.07517%0.17CC..Hα-helixtrans-65.7-41.6177.7-56.8-42.2000111.2F197 M217 T218 H224 L225 R283F197-D221 HydrophobicContact CE1-CB 4.02Å; F197-D221 HydrophobicContact CE2-CB 4.14Å; F197-D221 HydrophobicContact CZ-CB 3.5Å; M217-D221 HydrophobicContact CB-CB 4.05Å; M217-D221 HydrophobicContact CE-CB 4.42Å; T218-D221 WeakPolarHBondContact CB-OD2 3.37Å; T218-D221 PolarHBondContact N-OD2 2.84Å; T218-D221 PolarHBondContact O-N 2.77Å; T218-D221 PolarHBondContact OG1-N 2.75Å; T218-D221 PolarHBondContact OG1-OD2 3.1Å; D221-H224 PolarHBondContact O-N 2.99Å; D221-L225 VanDerWaalsContact O-CB 3.27Å; D221-L225 WeakPolarHBondContact O-CB 3.46Å; D221-L225 PolarHBondContact O-N 3.33Å; D221-R283 IonicContact OD1-NH1 3.72Å; D221-R283 PolarHBondContact OD1-NH1 3.1Å
222L98.3Very high97.4Very high0 Ų028.7 Ų28.70%015%0.152CC..Hα-helixtrans-60-50.3174.2174.954.9000111.5T218 W219 H224 L225 V226 T249 W253 L256 L258 L273T218-L222 PolarHBondContact O-N 3.3Å; W219-L222 HydrophobicContact CE3-CD2 4Å; W219-L222 HydrophobicContact CZ3-CD2 3.98Å; L222-H224 VanDerWaalsContact C-N 3.31Å; L222-H224 PolarHBondContact O-N 3.23Å; L222-L225 PolarHBondContact O-N 2.91Å; L222-V226 HydrophobicContact CD1-CG2 3.83Å; L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 WeakPolarHBondContact O-CG2 3.4Å; L222-V226 PolarHBondContact O-N 2.78Å; L222-T249 HydrophobicContact CD2-CG2 4.31Å; L222-W253 HydrophobicContact CD2-CH2 4.39Å; L222-W253 HydrophobicContact CD2-CZ3 4.08Å; L222-L256 HydrophobicContact CD1-CD1 4.03Å; L222-L258 HydrophobicContact CD1-CD2 3.76Å; L222-L258 HydrophobicContact CD2-CD1 4.02Å; L222-L258 HydrophobicContact CD2-CD2 3.98Å; L222-L258 HydrophobicContact CG-CD2 4.38Å; L222-L273 HydrophobicContact CD2-CD1 4.49Å; L222-L273 HydrophobicContact CG-CD1 4.28Å
223A98.3Very high97.2Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-58.2-44.1177.500000111.9W219 V220 L227 L273 A276 L277 F284W219-A223 WeakPolarHBondContact O-CB 3.39Å; W219-A223 PolarHBondContact O-N 2.82Å; V220-A223 PolarHBondContact O-N 2.77Å; A223-L227 WeakPolarHBondContact O-CB 3.41Å; A223-L227 PolarHBondContact O-N 3.22Å; A223-L273 HydrophobicContact CB-CD1 3.81Å; A223-A276 HydrophobicContact CB-CB 4.3Å; A223-L277 HydrophobicContact CB-CD2 3.92Å; A223-L277 HydrophobicContact CB-CG 4.08Å; A223-F284 HydrophobicContact CB-CE1 4.49Å; A223-F284 HydrophobicContact CB-CE2 4.39Å; A223-F284 HydrophobicContact CB-CZ 3.9Å
224H98.6Very high97.1Very high12 Ų1223.8 Ų23.86%0.05613%0.133CC..Hα-helixtrans-63.6-48.1177.5-162.3143000111.5V220 D221 L222 V226 L227 Y228 F284 A303 P305V220-H224 WeakPolarHBondContact O-CB 3.45Å; V220-H224 PolarHBondContact O-N 2.79Å; D221-H224 PolarHBondContact O-N 2.99Å; L222-H224 VanDerWaalsContact C-N 3.31Å; L222-H224 PolarHBondContact O-N 3.23Å; H224-V226 PolarHBondContact O-N 3.02Å; H224-L227 PolarHBondContact O-N 3.23Å; H224-Y228 WeakPolarHBondContact O-CB 3.46Å; H224-Y228 PolarHBondContact O-N 3.03Å; H224-F284 HydrophobicContact CB-CE1 3.92Å; H224-F284 HydrophobicContact CB-CZ 3.92Å; H224-A303 PolarHBondContact NE2-O 3.41Å; H224-P305 HydrophobicContact CB-CB 4.07Å; H224-P305 HydrophobicContact CB-CG 3.95Å
225L98.5Very high96.9Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-61.7-46-178.8-178.960.6000111.6L192 Y193 D195 M217 D221 L222 Y228 H229 P305L192-L225 HydrophobicContact CB-CD1 4.14Å; L192-L225 HydrophobicContact CB-CD2 4.33Å; L192-L225 HydrophobicContact CB-CG 4.24Å; L192-L225 HydrophobicContact CD2-CD2 4.07Å; L192-L225 HydrophobicContact CD2-CG 3.95Å; Y193-L225 WeakPolarHBondContact O-CD1 3.23Å; D195-L225 HydrophobicContact CB-CD1 3.8Å; D195-L225 HydrophobicContact CB-CD2 4.05Å; D195-L225 WeakPolarHBondContact OD2-CD2 3.4Å; M217-L225 HydrophobicContact CE-CD2 3.86Å; D221-L225 VanDerWaalsContact O-CB 3.27Å; D221-L225 WeakPolarHBondContact O-CB 3.46Å; D221-L225 PolarHBondContact O-N 3.33Å; L222-L225 PolarHBondContact O-N 2.91Å; L225-Y228 PolarHBondContact O-N 2.88Å; L225-H229 VanDerWaalsContact O-CB 3.3Å; L225-H229 WeakPolarHBondContact O-CB 3.31Å; L225-H229 PolarHBondContact O-N 2.81Å; L225-P305 HydrophobicContact CB-CG 3.88Å; L225-P305 HydrophobicContact CD1-CG 4.26Å
226V98.5Very high96.8Very high0 Ų028.2 Ų28.20%015%0.149CC..Hα-helixtrans-60.9-48.5177.6169.20000110.6L222 H224 Y228 H229 L230 I245 F248L222-V226 HydrophobicContact CD1-CG2 3.83Å; L222-V226 WeakPolarHBondContact O-CB 3.32Å; L222-V226 WeakPolarHBondContact O-CG2 3.4Å; L222-V226 PolarHBondContact O-N 2.78Å; H224-V226 PolarHBondContact O-N 3.02Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 2.86Å; V226-H229 PolarHBondContact O-N 2.96Å; V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 HydrophobicContact CG1-CG 4.31Å; V226-L230 WeakPolarHBondContact O-CB 3.28Å; V226-L230 VanDerWaalsContact O-CG 3.28Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 2.97Å; V226-I245 HydrophobicContact CG1-CG2 3.94Å; V226-F248 HydrophobicContact CB-CD1 4.48Å; V226-F248 HydrophobicContact CG1-CD1 3.7Å; V226-F248 HydrophobicContact CG1-CE1 4.25Å; V226-F248 HydrophobicContact CG2-CD1 4.14Å; V226-F248 HydrophobicContact CG2-CE1 4.14Å
227L98.3Very high96.7Very high1 Ų127.4 Ų27.41%0.00513%0.134CC..Hα-helixtrans-61.8-41.5177.3-84.7177.4000112.2A223 H224 S231 F239 I245 L277 F284 F297 L299A223-L227 WeakPolarHBondContact O-CB 3.41Å; A223-L227 PolarHBondContact O-N 3.22Å; H224-L227 PolarHBondContact O-N 3.23Å; L227-S231 VanDerWaalsContact O-CB 3.23Å; L227-S231 WeakPolarHBondContact O-CB 3.44Å; L227-S231 PolarHBondContact O-N 3.42Å; L227-F239 HydrophobicContact CD2-CB 4.21Å; L227-F239 HydrophobicContact CD2-CD2 3.88Å; L227-F239 HydrophobicContact CD2-CG 4.36Å; L227-I245 HydrophobicContact CD2-CD1 3.6Å; L227-I245 HydrophobicContact CD2-CG1 4.08Å; L227-I245 HydrophobicContact CG-CD1 4.26Å; L227-L277 HydrophobicContact CD1-CD2 3.53Å; L227-L277 HydrophobicContact CG-CD2 4.43Å; L227-F284 HydrophobicContact CD1-CD1 3.7Å; L227-F284 HydrophobicContact CD1-CE1 3.98Å; L227-F297 HydrophobicContact CD1-CB 4.39Å; L227-L299 HydrophobicContact CB-CD2 3.92Å; L227-L299 HydrophobicContact CB-CG 4.02Å; L227-L299 HydrophobicContact CD1-CD2 4.19Å
228Y98.5Very high96.7Very high6 Ų628.5 Ų28.52%0.02414%0.138CC..Hα-helixtrans-62.5-49.2177.9-174-101.7000110.9N166 Y193 H224 L225 V226 S231 L232 L299 R302 A303 P304N166-Y228 PolarHBondContact ND2-OH 3.34Å; Y193-Y228 WeakPolarHBondContact O-CD1 3.46Å; H224-Y228 WeakPolarHBondContact O-CB 3.46Å; H224-Y228 PolarHBondContact O-N 3.03Å; L225-Y228 PolarHBondContact O-N 2.88Å; V226-Y228 VanDerWaalsContact C-N 3.34Å; V226-Y228 PolarHBondContact O-N 2.86Å; Y228-S231 WeakPolarHBondContact O-CB 3.44Å; Y228-S231 PolarHBondContact O-N 3.2Å; Y228-S231 PolarHBondContact O-OG 3Å; Y228-L232 HydrophobicContact CD1-CD1 3.99Å; Y228-L232 HydrophobicContact CE1-CD1 3.31Å; Y228-L232 HydrophobicContact CE1-CG 4.24Å; Y228-L232 HydrophobicContact CE2-CD1 4.37Å; Y228-L232 PolarHBondContact O-N 3.12Å; Y228-L232 VanDerWaalsContact O-N 3.12Å; Y228-L299 HydrophobicContact CD2-CD1 3.84Å; Y228-L299 HydrophobicContact CG-CD1 4.37Å; Y228-R302 HydrophobicContact CE2-CG 4.34Å; Y228-A303 WeakPolarHBondContact CD2-O 3.12Å; Y228-P304 HydrophobicContact CD1-CG 4.39Å; Y228-P304 HydrophobicContact CE1-CB 4.34Å; Y228-P304 HydrophobicContact CE1-CG 3.71Å; Y228-P304 HydrophobicContact CE2-CG 4.07Å
229H98.4Very high96.7Very high23 Ų2325.1 Ų25.111%0.10612%0.117CC..Hα-helixtrans-55.6-54.6176.3-178.489.5000111.9L192 Y193 L225 V226 S231 L232 C233 F248L192-H229 HydrophobicContact CB-CB 4.42Å; L192-H229 HydrophobicContact CD2-CB 4.19Å; L192-H229 HydrophobicContact CG-CB 4.4Å; Y193-H229 AromaticContact CD2-CE1 4Å; Y193-H229 AromaticContact CD2-ND1 3.82Å; Y193-H229 PolarHBondContact N-ND1 3.14Å; L225-H229 VanDerWaalsContact O-CB 3.3Å; L225-H229 WeakPolarHBondContact O-CB 3.31Å; L225-H229 PolarHBondContact O-N 2.81Å; V226-H229 PolarHBondContact O-N 2.96Å; H229-S231 VanDerWaalsContact C-N 3.27Å; H229-S231 PolarHBondContact O-N 3.35Å; H229-L232 PolarHBondContact O-N 3.35Å; H229-C233 PolarHBondContact NE2-SG 2.94Å; H229-C233 WeakPolarHBondContact O-CB 3.43Å; H229-C233 PolarHBondContact O-N 3.04Å; H229-C233 PolarHBondContact O-SG 2.84Å; H229-F248 AromaticContact CD2-CE2 3.89Å; H229-F248 AromaticContact CD2-CZ 3.61Å; H229-F248 AromaticContact NE2-CE2 4Å; H229-F248 AromaticContact NE2-CZ 3.91Å
230L98.1Very high96.6Very high8 Ų824.3 Ų24.34%0.04212%0.115CC..Hα-helixtrans-59.9-39.5178.4-71.4177000111.3V226 L232 C233 C234 F239 I245 F248V226-L230 HydrophobicContact CG1-CD1 3.82Å; V226-L230 HydrophobicContact CG1-CG 4.31Å; V226-L230 WeakPolarHBondContact O-CB 3.28Å; V226-L230 VanDerWaalsContact O-CG 3.28Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 2.97Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.82Å; L230-C233 PolarHBondContact O-N 3.17Å; L230-C234 WeakPolarHBondContact O-CB 3.42Å; L230-C234 PolarHBondContact O-N 2.99Å; L230-F239 HydrophobicContact CB-CD1 3.9Å; L230-F239 HydrophobicContact CB-CD2 4.42Å; L230-F239 HydrophobicContact CB-CE1 3.59Å; L230-F239 HydrophobicContact CB-CE2 4.17Å; L230-F239 HydrophobicContact CB-CG 4.32Å; L230-F239 HydrophobicContact CB-CZ 3.77Å; L230-F239 HydrophobicContact CD1-CD1 4.13Å; L230-F239 HydrophobicContact CD1-CG 4.38Å; L230-F239 WeakPolarHBondContact O-CZ 3.36Å; L230-I245 HydrophobicContact CD1-CG1 4.35Å; L230-F248 HydrophobicContact CD2-CB 4.39Å; L230-F248 HydrophobicContact CD2-CD2 4.05Å; L230-F248 HydrophobicContact CD2-CG 4.15Å
231S97.4Very high96.6Very high4 Ų423.6 Ų23.63%0.02811%0.111CC..Hα-helixtrans-56.6-47.9177.986.30000110.7L227 Y228 H229 K235 R236 R302L227-S231 VanDerWaalsContact O-CB 3.23Å; L227-S231 WeakPolarHBondContact O-CB 3.44Å; L227-S231 PolarHBondContact O-N 3.42Å; Y228-S231 WeakPolarHBondContact O-CB 3.44Å; Y228-S231 PolarHBondContact O-N 3.2Å; Y228-S231 PolarHBondContact O-OG 3Å; H229-S231 VanDerWaalsContact C-N 3.27Å; H229-S231 PolarHBondContact O-N 3.35Å; S231-K235 VanDerWaalsContact O-CA 3.24Å; S231-K235 WeakPolarHBondContact O-CA 3.32Å; S231-K235 PolarHBondContact O-N 2.88Å; S231-R236 WeakPolarHBondContact CA-O 3.4Å; S231-R236 PolarHBondContact O-N 3.39Å; S231-R302 PolarHBondContact O-NH2 3.21Å; S231-R302 PolarHBondContact OG-NE 3.27Å
232L95.3Very high96.3Very high11 Ų1127 Ų276%0.05813%0.129CC..Hα-helixtrans-72-44-178.4-67.9179000111.9L167 Y193 Y228 H229 L230 C234 H324L167-L232 HydrophobicContact CD2-CD1 3.75Å; Y193-L232 HydrophobicContact CD2-CB 3.85Å; Y193-L232 HydrophobicContact CD2-CD1 4.28Å; Y193-L232 HydrophobicContact CE2-CB 4.44Å; Y193-L232 HydrophobicContact CG-CD1 4.12Å; Y228-L232 HydrophobicContact CD1-CD1 3.99Å; Y228-L232 HydrophobicContact CE1-CD1 3.31Å; Y228-L232 HydrophobicContact CE1-CG 4.24Å; Y228-L232 HydrophobicContact CE2-CD1 4.37Å; Y228-L232 PolarHBondContact O-N 3.12Å; Y228-L232 VanDerWaalsContact O-N 3.12Å; H229-L232 PolarHBondContact O-N 3.35Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 2.82Å; L232-C234 PolarHBondContact O-N 3.2Å; L232-H324 WeakPolarHBondContact CD2-CE1 3.46Å; L232-H324 VanDerWaalsContact CD2-NE2 3.34Å; L232-H324 WeakPolarHBondContact CD2-NE2 3.32Å
233C94.4Very high96.2Very high24 Ų2434.1 Ų34.116%0.16216%0.162CC..Hα-helixtrans-56.5-50175.1-77.90000111.5Y193 H229 L230 R326Y193-C233 WeakPolarHBondContact CE2-SG 3.31Å; H229-C233 PolarHBondContact NE2-SG 2.94Å; H229-C233 WeakPolarHBondContact O-CB 3.43Å; H229-C233 PolarHBondContact O-N 3.04Å; H229-C233 PolarHBondContact O-SG 2.84Å; L230-C233 PolarHBondContact O-N 3.17Å; C233-R326 PolarHBondContact O-NH2 3.23Å
234C94.6Very high96.1Very high39 Ų3936 Ų3626%0.26417%0.171SC..Hα-helixtrans-94.7-4.4-173.2-60.40000114.3L230 L232 R236 F239L230-C234 WeakPolarHBondContact O-CB 3.42Å; L230-C234 PolarHBondContact O-N 2.99Å; L232-C234 PolarHBondContact O-N 3.2Å; C234-R236 HydrophobicContact CB-CG 3.91Å; C234-R236 PolarHBondContact O-N 3.01Å; C234-F239 HydrophobicContact CB-CE1 3.81Å; C234-F239 HydrophobicContact CB-CZ 4.01Å
235K93.1Very high96.1Very high121 Ų12135.5 Ų35.553%0.52617%0.168SC..THydrogen-bonded Turntrans51.139-175.8-58.6-175.2177.1-173.20113.5S231S231-K235 VanDerWaalsContact O-CA 3.24Å; S231-K235 WeakPolarHBondContact O-CA 3.32Å; S231-K235 PolarHBondContact O-N 2.88Å
236R93.5Very high96Very high68 Ų6836.4 Ų36.426%0.25717%0.173SC..  trans-140162.4177.269.1176.6166.3146.5-2.6111.8S231 C234 Y238 F239 E244S231-R236 WeakPolarHBondContact CA-O 3.4Å; S231-R236 PolarHBondContact O-N 3.39Å; C234-R236 HydrophobicContact CB-CG 3.91Å; C234-R236 PolarHBondContact O-N 3.01Å; R236-Y238 PolarHBondContact NH1-O 3.18Å; R236-F239 HydrophobicContact CG-CE1 3.87Å; R236-F239 HydrophobicContact CG-CE2 4.12Å; R236-F239 HydrophobicContact CG-CZ 3.49Å; R236-F239 VanDerWaalsContact CG-CZ 3.49Å; R236-F239 VanDerWaalsContact CZ-CD1 3.47Å; R236-F239 VanDerWaalsContact CZ-CE1 3.48Å; R236-F239 VanDerWaalsContact NH2-CE1 3.25Å; R236-F239 VanDerWaalsContact O-CE2 3.29Å; R236-F239 WeakPolarHBondContact O-CE2 3.3Å; R236-F239 WeakPolarHBondContact O-CZ 3.27Å; R236-E244 IonicContact CZ-OE1 2.78Å; R236-E244 VanDerWaalsContact CZ-OE1 3.28Å; R236-E244 IonicContact CZ-OE2 2.67Å; R236-E244 VanDerWaalsContact CZ-OE2 3.31Å; R236-E244 IonicContact NH1-OE1 3.31Å; R236-E244 PolarHBondContact NH1-OE1 3.1Å; R236-E244 VanDerWaalsContact NH1-OE1 3.13Å; R236-E244 IonicContact NH1-OE2 3.9Å; R236-E244 PolarHBondContact NH1-OE2 3.42Å; R236-E244 IonicContact NH2-OE1 3.62Å; R236-E244 PolarHBondContact NH2-OE1 3.48Å; R236-E244 IonicContact NH2-OE2 3.84Å; R236-E244 PolarHBondContact NH2-OE2 3.46Å
237K92.9Very high96Very high97 Ų9738.2 Ų38.242%0.42219%0.186SC..SBendtrans-88.7-37.8-175.5-175.4171.4-177.9173.90114.6G298 L299K237-G298 WeakPolarHBondContact O-CA 3.45Å; K237-L299 WeakPolarHBondContact CE-O 3.36Å
238Y94.8Very high96Very high38 Ų3839.7 Ų39.715%0.14919%0.192CC..  trans-112.5137.1-169.6-62.8-81.2000112.5R236 V285 I290 F297R236-Y238 PolarHBondContact NH1-O 3.18Å; Y238-V285 HydrophobicContact CE1-CB 4.46Å; Y238-V285 HydrophobicContact CE1-CG1 4.22Å; Y238-I290 HydrophobicContact CD1-CD1 4.18Å; Y238-I290 HydrophobicContact CD2-CD1 4.31Å; Y238-I290 HydrophobicContact CE1-CD1 3.52Å; Y238-I290 HydrophobicContact CE1-CG1 4.38Å; Y238-I290 HydrophobicContact CE2-CD1 3.66Å; Y238-I290 WeakPolarHBondContact OH-CD1 3.15Å; Y238-F297 CarbonylContact C-O 3.51Å; Y238-F297 WeakPolarHBondContact CA-O 3.47Å
239F96.6Very high96Very high1 Ų139.5 Ų39.50%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-131.8140.5-176.5-63.5-89.2000110.5L227 L230 C234 R236 E244 I245 L296 F297L227-F239 HydrophobicContact CD2-CB 4.21Å; L227-F239 HydrophobicContact CD2-CD2 3.88Å; L227-F239 HydrophobicContact CD2-CG 4.36Å; L230-F239 HydrophobicContact CB-CD1 3.9Å; L230-F239 HydrophobicContact CB-CD2 4.42Å; L230-F239 HydrophobicContact CB-CE1 3.59Å; L230-F239 HydrophobicContact CB-CE2 4.17Å; L230-F239 HydrophobicContact CB-CG 4.32Å; L230-F239 HydrophobicContact CB-CZ 3.77Å; L230-F239 HydrophobicContact CD1-CD1 4.13Å; L230-F239 HydrophobicContact CD1-CG 4.38Å; L230-F239 WeakPolarHBondContact O-CZ 3.36Å; C234-F239 HydrophobicContact CB-CE1 3.81Å; C234-F239 HydrophobicContact CB-CZ 4.01Å; R236-F239 HydrophobicContact CG-CE1 3.87Å; R236-F239 HydrophobicContact CG-CE2 4.12Å; R236-F239 HydrophobicContact CG-CZ 3.49Å; R236-F239 VanDerWaalsContact CG-CZ 3.49Å; R236-F239 VanDerWaalsContact CZ-CD1 3.47Å; R236-F239 VanDerWaalsContact CZ-CE1 3.48Å; R236-F239 VanDerWaalsContact NH2-CE1 3.25Å; R236-F239 VanDerWaalsContact O-CE2 3.29Å; R236-F239 WeakPolarHBondContact O-CE2 3.3Å; R236-F239 WeakPolarHBondContact O-CZ 3.27Å; F239-E244 WeakPolarHBondContact CA-OE2 3.13Å; F239-E244 HydrophobicContact CB-CB 4.37Å; F239-E244 HydrophobicContact CD1-CB 4.45Å; F239-I245 HydrophobicContact CB-CD1 4.08Å; F239-I245 HydrophobicContact CB-CG1 3.82Å; F239-L296 CarbonylContact O-C 3.56Å; F239-L296 WeakPolarHBondContact O-CA 3.48Å; F239-F297 PolarHBondContact N-O 3.37Å; F239-F297 PolarHBondContact O-N 3.01Å
240D95.6Very high95.9Very high24 Ų2439.8 Ų39.813%0.12819%0.194CC..EExtended strand (participates in β ladder)trans-71.8131.3173.5-172.1-86.7000110.8D242 H243 E244 I245 C295 L296D240-D242 PolarHBondContact OD1-N 2.75Å; D240-H243 HydrophobicContact CB-CB 4.41Å; D240-H243 IonicContact OD1-CD2 2.81Å; D240-H243 PolarHBondContact OD1-CD2 3.44Å; D240-H243 IonicContact OD1-CG 3.56Å; D240-H243 PolarHBondContact OD1-N 2.83Å; D240-E244 HydrophobicContact CB-CG 4.14Å; D240-E244 PolarHBondContact N-OE2 3.19Å; D240-E244 WeakPolarHBondContact O-CA 3.5Å; D240-E244 VanDerWaalsContact O-CB 3.31Å; D240-E244 WeakPolarHBondContact O-CB 3.38Å; D240-E244 PolarHBondContact O-N 2.9Å; D240-E244 VanDerWaalsContact O-N 3.09Å; D240-I245 PolarHBondContact O-N 3.31Å; D240-C295 PolarHBondContact OD2-SG 3.01Å; D240-L296 HydrophobicContact CB-CD2 4.1Å
241F96.3Very high95.9Very high5 Ų546.2 Ų46.22%0.02222%0.224CC..Iπ-helixtrans-61.1-54.1-176176.7-103.2000112.3I245 L246 L273 L274 L277 C295 F297F241-I245 HydrophobicContact CD2-CB 4.43Å; F241-I245 PolarHBondContact O-N 3.34Å; F241-L246 HydrophobicContact CE1-CB 4.38Å; F241-L246 HydrophobicContact CE1-CD2 4.03Å; F241-L246 HydrophobicContact CZ-CB 4.3Å; F241-L246 HydrophobicContact CZ-CD2 4.34Å; F241-L246 WeakPolarHBondContact O-CB 3.39Å; F241-L246 PolarHBondContact O-N 3.04Å; F241-L273 HydrophobicContact CE2-CB 4.22Å; F241-L273 HydrophobicContact CE2-CD2 4.11Å; F241-L273 HydrophobicContact CE2-CG 4.13Å; F241-L273 HydrophobicContact CZ-CB 4.42Å; F241-L274 HydrophobicContact CD1-CD1 4.19Å; F241-L274 HydrophobicContact CD2-CD1 4.09Å; F241-L274 HydrophobicContact CE1-CB 4.1Å; F241-L274 HydrophobicContact CE1-CD1 4.26Å; F241-L274 HydrophobicContact CE1-CD2 4.41Å; F241-L274 HydrophobicContact CE1-CG 4.49Å; F241-L274 HydrophobicContact CE2-CB 3.98Å; F241-L274 HydrophobicContact CE2-CD1 4.16Å; F241-L274 HydrophobicContact CG-CD1 4.11Å; F241-L274 HydrophobicContact CZ-CB 3.63Å; F241-L274 HydrophobicContact CZ-CD1 4.26Å; F241-L274 HydrophobicContact CZ-CG 4.4Å; F241-L277 HydrophobicContact CD2-CD1 3.56Å; F241-L277 HydrophobicContact CE2-CD1 3.79Å; F241-C295 WeakPolarHBondContact CB-O 3.38Å; F241-C295 PolarHBondContact N-O 3.32Å; F241-F297 HydrophobicContact CB-CD2 3.99Å; F241-F297 HydrophobicContact CB-CE2 3.92Å; F241-F297 HydrophobicContact CD2-CE2 4.42Å; F241-F297 HydrophobicContact CG-CE2 4.36Å
242D93.3Very high95.9Very high86 Ų8648.4 Ų48.446%0.4624%0.235SC..Iπ-helixtrans-72.9-47.9-173.1-65.1-52.9000111.3D240 S247D240-D242 PolarHBondContact OD1-N 2.75Å; D242-S247 PolarHBondContact O-N 2.95Å
243H94.3Very high96Very high148 Ų14848.4 Ų48.469%0.68523%0.234SC*.Iπ-helixtrans-84.5-16.6-170.3-65.6-59.8000114.6D240D240-H243 HydrophobicContact CB-CB 4.41Å; D240-H243 IonicContact OD1-CD2 2.81Å; D240-H243 PolarHBondContact OD1-CD2 3.44Å; D240-H243 IonicContact OD1-CG 3.56Å; D240-H243 PolarHBondContact OD1-N 2.83Å
244E97.3Very high96.1Very high41 Ų4153.3 Ų53.319%0.19226%0.259CS..Iπ-helixtrans-128.2-53.7-172.9-52.2-177.3126.200111.6R236 F239 D240 F248R236-E244 IonicContact CZ-OE1 2.78Å; R236-E244 VanDerWaalsContact CZ-OE1 3.28Å; R236-E244 IonicContact CZ-OE2 2.67Å; R236-E244 VanDerWaalsContact CZ-OE2 3.31Å; R236-E244 IonicContact NH1-OE1 3.31Å; R236-E244 PolarHBondContact NH1-OE1 3.1Å; R236-E244 VanDerWaalsContact NH1-OE1 3.13Å; R236-E244 IonicContact NH1-OE2 3.9Å; R236-E244 PolarHBondContact NH1-OE2 3.42Å; R236-E244 IonicContact NH2-OE1 3.62Å; R236-E244 PolarHBondContact NH2-OE1 3.48Å; R236-E244 IonicContact NH2-OE2 3.84Å; R236-E244 PolarHBondContact NH2-OE2 3.46Å; F239-E244 WeakPolarHBondContact CA-OE2 3.13Å; F239-E244 HydrophobicContact CB-CB 4.37Å; F239-E244 HydrophobicContact CD1-CB 4.45Å; D240-E244 HydrophobicContact CB-CG 4.14Å; D240-E244 PolarHBondContact N-OE2 3.19Å; D240-E244 WeakPolarHBondContact O-CA 3.5Å; D240-E244 VanDerWaalsContact O-CB 3.31Å; D240-E244 WeakPolarHBondContact O-CB 3.38Å; D240-E244 PolarHBondContact O-N 2.9Å; D240-E244 VanDerWaalsContact O-N 3.09Å; E244-F248 WeakPolarHBondContact O-CB 3.48Å; E244-F248 PolarHBondContact O-N 2.82Å; E244-F248 VanDerWaalsContact O-N 3.11Å
245I98Very high96.1Very high0 Ų053.2 Ų53.20%026%0.259CS..Iπ-helixtrans-73.1-56.3-176.8-55.3174.6000110.8V226 L227 L230 F239 D240 F241 T249 L273 L277 F297V226-I245 HydrophobicContact CG1-CG2 3.94Å; L227-I245 HydrophobicContact CD2-CD1 3.6Å; L227-I245 HydrophobicContact CD2-CG1 4.08Å; L227-I245 HydrophobicContact CG-CD1 4.26Å; L230-I245 HydrophobicContact CD1-CG1 4.35Å; F239-I245 HydrophobicContact CB-CD1 4.08Å; F239-I245 HydrophobicContact CB-CG1 3.82Å; D240-I245 PolarHBondContact O-N 3.31Å; F241-I245 HydrophobicContact CD2-CB 4.43Å; F241-I245 PolarHBondContact O-N 3.34Å; I245-T249 WeakPolarHBondContact O-CB 3.4Å; I245-T249 PolarHBondContact O-N 3.07Å; I245-T249 PolarHBondContact O-OG1 3.31Å; I245-L273 HydrophobicContact CG2-CD2 3.96Å; I245-L277 HydrophobicContact CD1-CD1 4.22Å; I245-L277 HydrophobicContact CG2-CD1 4.5Å; I245-F297 HydrophobicContact CD1-CB 3.92Å; I245-F297 HydrophobicContact CD1-CD2 4.38Å
246L97.4Very high96.3Very high20 Ų2047.6 Ų47.611%0.10523%0.234CC..Iπ-helixtrans-69.5-40.4-177.7-177.362.7000111.9F241 T249 N250 C270 L273F241-L246 HydrophobicContact CE1-CB 4.38Å; F241-L246 HydrophobicContact CE1-CD2 4.03Å; F241-L246 HydrophobicContact CZ-CB 4.3Å; F241-L246 HydrophobicContact CZ-CD2 4.34Å; F241-L246 WeakPolarHBondContact O-CB 3.39Å; F241-L246 PolarHBondContact O-N 3.04Å; L246-T249 PolarHBondContact O-N 3.16Å; L246-N250 WeakPolarHBondContact CD1-ND2 3.31Å; L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 3.09Å; L246-N250 PolarHBondContact O-ND2 3.47Å; L246-N250 VanDerWaalsContact O-ND2 3.1Å; L246-C270 HydrophobicContact CD1-CB 4.39Å; L246-C270 HydrophobicContact CD2-CB 3.92Å; L246-L273 HydrophobicContact CD1-CD2 4.36Å
247S97.5Very high96.4Very high38 Ų3846.4 Ų46.427%0.26623%0.233SC..Hα-helixtrans-58.2-53.6172.6152.80000111D242 T249 N250 E251D242-S247 PolarHBondContact O-N 2.95Å; S247-T249 VanDerWaalsContact C-N 3.31Å; S247-T249 PolarHBondContact O-N 2.79Å; S247-N250 PolarHBondContact O-N 3.39Å; S247-E251 WeakPolarHBondContact O-CB 3.08Å; S247-E251 VanDerWaalsContact O-CG 3.27Å; S247-E251 WeakPolarHBondContact O-CG 3.33Å; S247-E251 PolarHBondContact O-N 3Å; S247-E251 PolarHBondContact OG-OE1 3.31Å
248F98.3Very high96.5Very high32 Ų3241.9 Ų41.914%0.1421%0.214CC..Hα-helixtrans-56.7-45.9176.9175.4-91000111.9L192 V226 H229 L230 E244 N250 E251 N252L192-F248 HydrophobicContact CD2-CE1 4.08Å; L192-F248 HydrophobicContact CD2-CZ 4.24Å; V226-F248 HydrophobicContact CB-CD1 4.48Å; V226-F248 HydrophobicContact CG1-CD1 3.7Å; V226-F248 HydrophobicContact CG1-CE1 4.25Å; V226-F248 HydrophobicContact CG2-CD1 4.14Å; V226-F248 HydrophobicContact CG2-CE1 4.14Å; H229-F248 AromaticContact CD2-CE2 3.89Å; H229-F248 AromaticContact CD2-CZ 3.61Å; H229-F248 AromaticContact NE2-CE2 4Å; H229-F248 AromaticContact NE2-CZ 3.91Å; L230-F248 HydrophobicContact CD2-CB 4.39Å; L230-F248 HydrophobicContact CD2-CD2 4.05Å; L230-F248 HydrophobicContact CD2-CG 4.15Å; E244-F248 WeakPolarHBondContact O-CB 3.48Å; E244-F248 PolarHBondContact O-N 2.82Å; E244-F248 VanDerWaalsContact O-N 3.11Å; F248-N250 PolarHBondContact O-N 2.88Å; F248-E251 PolarHBondContact O-N 2.88Å; F248-N252 WeakPolarHBondContact CD2-ND2 3.21Å; F248-N252 WeakPolarHBondContact O-CB 3.37Å; F248-N252 PolarHBondContact O-N 2.77Å; F248-N252 PolarHBondContact O-ND2 3.11Å
249T98.3Very high96.4Very high1 Ų142.3 Ų42.31%0.00623%0.23CC..Hα-helixtrans-62.2-43.7-177.3-58.60000111.3L222 I245 L246 S247 W253 L256 L273L222-T249 HydrophobicContact CD2-CG2 4.31Å; I245-T249 WeakPolarHBondContact O-CB 3.4Å; I245-T249 PolarHBondContact O-N 3.07Å; I245-T249 PolarHBondContact O-OG1 3.31Å; L246-T249 PolarHBondContact O-N 3.16Å; S247-T249 VanDerWaalsContact C-N 3.31Å; S247-T249 PolarHBondContact O-N 2.79Å; T249-W253 HydrophobicContact CG2-CE3 3.77Å; T249-W253 HydrophobicContact CG2-CZ3 3.64Å; T249-W253 WeakPolarHBondContact O-CA 3.29Å; T249-W253 PolarHBondContact O-N 3.08Å; T249-L256 HydrophobicContact CG2-CD1 4.18Å; T249-L273 HydrophobicContact CG2-CD2 4.25Å
250N97.6Very high96.1Very high29 Ų2946.8 Ų46.816%0.15527%0.266CS..Hα-helixtrans-71.7-40.8178.9-78.6-45.9000112.9L246 S247 F248 N252 W253 R269L246-N250 WeakPolarHBondContact CD1-ND2 3.31Å; L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 3.09Å; L246-N250 PolarHBondContact O-ND2 3.47Å; L246-N250 VanDerWaalsContact O-ND2 3.1Å; S247-N250 PolarHBondContact O-N 3.39Å; F248-N250 PolarHBondContact O-N 2.88Å; N250-N252 PolarHBondContact O-N 2.88Å; N250-W253 PolarHBondContact O-N 2.9Å; N250-R269 WeakPolarHBondContact OD1-CD 3.4Å; N250-R269 PolarHBondContact OD1-NH1 3.48Å
251E97.8Very high96.1Very high144 Ų14446.9 Ų46.967%0.67327%0.267SS*.Hα-helixtrans-64.9-27.8178-73.4167.6-155.900112.3S247 F248S247-E251 WeakPolarHBondContact O-CB 3.08Å; S247-E251 VanDerWaalsContact O-CG 3.27Å; S247-E251 WeakPolarHBondContact O-CG 3.33Å; S247-E251 PolarHBondContact O-N 3Å; S247-E251 PolarHBondContact OG-OE1 3.31Å; F248-E251 PolarHBondContact O-N 2.88Å
252N97.5Very high96.1Very high50 Ų5048.9 Ų48.927%0.26728%0.282SS..THydrogen-bonded Turntrans-109.810.8-177.1-63.5-86.2000113.5F248 N250 D254 S255 L256F248-N252 WeakPolarHBondContact CD2-ND2 3.21Å; F248-N252 WeakPolarHBondContact O-CB 3.37Å; F248-N252 PolarHBondContact O-N 2.77Å; F248-N252 PolarHBondContact O-ND2 3.11Å; N250-N252 PolarHBondContact O-N 2.88Å; N252-D254 PolarHBondContact O-N 2.88Å; N252-S255 WeakPolarHBondContact O-CA 3.42Å; N252-S255 WeakPolarHBondContact O-CB 3.45Å; N252-S255 PolarHBondContact O-N 3.21Å; N252-L256 HydrophobicContact CB-CG 4.38Å; N252-L256 WeakPolarHBondContact O-CG 3.27Å; N252-L256 PolarHBondContact O-N 3.22Å; N252-L256 VanDerWaalsContact O-N 3.09Å
253W97.2Very high96.2Very high10 Ų1051.6 Ų51.64%0.03830%0.296CS..G310 helixtrans-47.9-51.5-169.3-167.2-103000113.8W219 L222 T249 N250 S255 L256 L258 L261 S262 R269W219-W253 AromaticContact CH2-CH2 3.48Å; W219-W253 HydrophobicContact CH2-CH2 3.48Å; W219-W253 VanDerWaalsContact CH2-CH2 3.48Å; W219-W253 HydrophobicContact CH2-CZ2 4.41Å; W219-W253 HydrophobicContact CH2-CZ3 4.23Å; W219-W253 HydrophobicContact CZ2-CH2 4.32Å; W219-W253 AromaticContact CZ3-CH2 3.94Å; W219-W253 HydrophobicContact CZ3-CH2 3.94Å; W219-W253 HydrophobicContact CZ3-CZ3 4.29Å; L222-W253 HydrophobicContact CD2-CH2 4.39Å; L222-W253 HydrophobicContact CD2-CZ3 4.08Å; T249-W253 HydrophobicContact CG2-CE3 3.77Å; T249-W253 HydrophobicContact CG2-CZ3 3.64Å; T249-W253 WeakPolarHBondContact O-CA 3.29Å; T249-W253 PolarHBondContact O-N 3.08Å; N250-W253 PolarHBondContact O-N 2.9Å; W253-S255 VanDerWaalsContact C-N 3.29Å; W253-S255 PolarHBondContact O-N 3.35Å; W253-L256 PolarHBondContact O-N 3.22Å; W253-L258 HydrophobicContact CD2-CD1 3.69Å; W253-L258 HydrophobicContact CE3-CD1 3.6Å; W253-L258 HydrophobicContact CH2-CD1 3.38Å; W253-L258 HydrophobicContact CZ2-CD1 3.51Å; W253-L258 HydrophobicContact CZ3-CD1 3.44Å; W253-L258 VanDerWaalsContact CZ3-CD1 3.44Å; W253-L261 WeakPolarHBondContact CZ2-O 3.24Å; W253-S262 PolarHBondContact NE1-O 3.04Å; W253-S262 VanDerWaalsContact NE1-O 3.09Å; W253-R269 VanDerWaalsContact CD1-NH2 3.32Å; W253-R269 VanDerWaalsContact CD2-CZ 3.43Å; W253-R269 HydrophobicContact CH2-CG 3.89Å; W253-R269 HydrophobicContact CZ2-CG 4.15Å; W253-R269 HydrophobicContact CZ3-CG 4.18Å; W253-R269 VanDerWaalsContact NE1-NH2 3.11Å
254D95.7Very high96.3Very high127 Ų12745.6 Ų45.668%0.67927%0.27SS*.G310 helixtrans-70.2-26.8-179.7-57.7-21.7000113N252 L256N252-D254 PolarHBondContact O-N 2.88Å; D254-L256 VanDerWaalsContact C-N 3.33Å
255S96.1Very high96.2Very high38 Ų3846.8 Ų46.827%0.26628%0.281SS..G310 helixtrans-79-19.6179.2-61.60000112.6N252 W253 L257N252-S255 WeakPolarHBondContact O-CA 3.42Å; N252-S255 WeakPolarHBondContact O-CB 3.45Å; N252-S255 PolarHBondContact O-N 3.21Å; W253-S255 VanDerWaalsContact C-N 3.29Å; W253-S255 PolarHBondContact O-N 3.35Å; S255-L257 VanDerWaalsContact C-N 3.28Å; S255-L257 PolarHBondContact O-N 3.09Å
256L96.1Very high96Very high2 Ų255.4 Ų55.41%0.0131%0.314CS..G310 helixtrans-77.2-13179.8-65.6165.6000113.4L192 R214 L222 T249 N252 W253 D254 L258L192-L256 HydrophobicContact CD1-CD2 3.89Å; L192-L256 HydrophobicContact CD2-CD2 3.49Å; L192-L256 VanDerWaalsContact CD2-CD2 3.49Å; L192-L256 HydrophobicContact CG-CD2 4.36Å; R214-L256 PolarHBondContact NH2-O 3.25Å; L222-L256 HydrophobicContact CD1-CD1 4.03Å; T249-L256 HydrophobicContact CG2-CD1 4.18Å; N252-L256 HydrophobicContact CB-CG 4.38Å; N252-L256 WeakPolarHBondContact O-CG 3.27Å; N252-L256 PolarHBondContact O-N 3.22Å; N252-L256 VanDerWaalsContact O-N 3.09Å; W253-L256 PolarHBondContact O-N 3.22Å; D254-L256 VanDerWaalsContact C-N 3.33Å; L256-L258 HydrophobicContact CB-CD1 4.26Å; L256-L258 HydrophobicContact CB-CD2 3.51Å; L256-L258 HydrophobicContact CB-CG 3.7Å; L256-L258 HydrophobicContact CD1-CD1 4.42Å; L256-L258 HydrophobicContact CD1-CD2 4.43Å; L256-L258 PolarHBondContact O-N 3.33Å
257L95.6Very high95.8Very high43 Ų4362.1 Ų62.123%0.22534%0.344CS..  trans49.161.5176.7-57.6176.1000111.6L188 K189 R214 S255 G259L188-L257 HydrophobicContact CD2-CD2 4.26Å; K189-L257 HydrophobicContact CB-CD1 4.2Å; K189-L257 HydrophobicContact CB-CG 4.41Å; K189-L257 HydrophobicContact CG-CD1 4.19Å; K189-L257 HydrophobicContact CG-CD2 3.9Å; K189-L257 HydrophobicContact CG-CG 4.09Å; R214-L257 HydrophobicContact CG-CB 4Å; R214-L257 VanDerWaalsContact CG-O 3.25Å; R214-L257 WeakPolarHBondContact CG-O 3.34Å; R214-L257 PolarHBondContact NE-O 2.87Å; R214-L257 VanDerWaalsContact NE-O 3.14Å; S255-L257 VanDerWaalsContact C-N 3.28Å; S255-L257 PolarHBondContact O-N 3.09Å; L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 3.37Å
258L94.9Very high95.7Very high3 Ų363.5 Ų63.52%0.01635%0.349CS..  trans-83.97.1-165.1-57.6174.7000115M217 L222 W253 L256 A260 L261M217-L258 HydrophobicContact CG-CD2 4.36Å; M217-L258 HydrophobicContact SD-CD2 3.46Å; M217-L258 WeakPolarHBondContact SD-CD2 3.37Å; L222-L258 HydrophobicContact CD1-CD2 3.76Å; L222-L258 HydrophobicContact CD2-CD1 4.02Å; L222-L258 HydrophobicContact CD2-CD2 3.98Å; L222-L258 HydrophobicContact CG-CD2 4.38Å; W253-L258 HydrophobicContact CD2-CD1 3.69Å; W253-L258 HydrophobicContact CE3-CD1 3.6Å; W253-L258 HydrophobicContact CH2-CD1 3.38Å; W253-L258 HydrophobicContact CZ2-CD1 3.51Å; W253-L258 HydrophobicContact CZ3-CD1 3.44Å; W253-L258 VanDerWaalsContact CZ3-CD1 3.44Å; L256-L258 HydrophobicContact CB-CD1 4.26Å; L256-L258 HydrophobicContact CB-CD2 3.51Å; L256-L258 HydrophobicContact CB-CG 3.7Å; L256-L258 HydrophobicContact CD1-CD1 4.42Å; L256-L258 HydrophobicContact CD1-CD2 4.43Å; L256-L258 PolarHBondContact O-N 3.33Å; L258-A260 PolarHBondContact O-N 2.99Å; L258-L261 HydrophobicContact CB-CB 3.96Å; L258-L261 PolarHBondContact O-N 3.19Å; L258-L261 VanDerWaalsContact O-N 3.11Å
259G92.8Very high95.6Very high47 Ų4763.6 Ų63.649%0.48535%0.348SS..G310 helixtrans54.3-126.3-178.400000111.4L257 L261 S262L257-G259 VanDerWaalsContact C-N 3.28Å; L257-G259 PolarHBondContact O-N 3.37Å; G259-L261 PolarHBondContact O-N 3.41Å; G259-L261 VanDerWaalsContact O-N 3.14Å; G259-S262 PolarHBondContact N-OG 2.78Å; G259-S262 WeakPolarHBondContact O-CB 3.35Å; G259-S262 PolarHBondContact O-N 3.32Å; G259-S262 PolarHBondContact O-OG 3.11Å
260A91.6Very high95.5Very high94 Ų9465.6 Ų65.678%0.77736%0.362SS*.G310 helixtrans-58.5-24.8-179.200000114.4L258 S262L258-A260 PolarHBondContact O-N 2.99Å; A260-S262 VanDerWaalsContact C-N 3.25Å; A260-S262 PolarHBondContact O-N 2.98Å
261L95.6Very high95.5Very high27 Ų2769.8 Ų69.814%0.14138%0.38CS..G310 helixtrans-74.9-16.9177.1-56.7-177.7000112.5M217 W219 W253 L258 G259 D263 T264M217-L261 WeakPolarHBondContact O-CD1 3.34Å; W219-L261 HydrophobicContact CD2-CD1 4.32Å; W219-L261 HydrophobicContact CG-CD1 4.39Å; W253-L261 WeakPolarHBondContact CZ2-O 3.24Å; L258-L261 HydrophobicContact CB-CB 3.96Å; L258-L261 PolarHBondContact O-N 3.19Å; L258-L261 VanDerWaalsContact O-N 3.11Å; G259-L261 PolarHBondContact O-N 3.41Å; G259-L261 VanDerWaalsContact O-N 3.14Å; L261-D263 PolarHBondContact O-N 2.82Å; L261-D263 VanDerWaalsContact O-N 3.17Å; L261-T264 VanDerWaalsContact O-CB 3.26Å; L261-T264 WeakPolarHBondContact O-CB 3.39Å; L261-T264 PolarHBondContact O-N 3.03Å; L261-T264 PolarHBondContact O-OG1 3.41Å
262S95.5Very high95.5Very high47 Ų4765.1 Ų65.133%0.32936%0.36SS..G310 helixtrans-58.9-32.1-173.4-50.60000112.7W253 G259 A260 T264W253-S262 PolarHBondContact NE1-O 3.04Å; W253-S262 VanDerWaalsContact NE1-O 3.09Å; G259-S262 PolarHBondContact N-OG 2.78Å; G259-S262 WeakPolarHBondContact O-CB 3.35Å; G259-S262 PolarHBondContact O-N 3.32Å; G259-S262 PolarHBondContact O-OG 3.11Å; A260-S262 VanDerWaalsContact C-N 3.25Å; A260-S262 PolarHBondContact O-N 2.98Å; S262-T264 PolarHBondContact O-N 3.44Å
263D95.1Very high95.5Very high143 Ų14362.7 Ų62.777%0.76535%0.347SS*.G310 helixtrans-75.9-4.2-179.7-60.4-32.6000113.4L261 P265L261-D263 PolarHBondContact O-N 2.82Å; L261-D263 VanDerWaalsContact O-N 3.17Å; D263-P265 WeakPolarHBondContact O-CD 3.12Å
264T96.9Very high95.4Very high22 Ų2264.9 Ų64.914%0.13536%0.359CS..  trans-63.2122.1179.5-53.80000110.8W219 L261 S262 D268 R269W219-T264 HydrophobicContact CH2-CG2 4.11Å; W219-T264 HydrophobicContact CZ2-CG2 3.75Å; L261-T264 VanDerWaalsContact O-CB 3.26Å; L261-T264 WeakPolarHBondContact O-CB 3.39Å; L261-T264 PolarHBondContact O-N 3.03Å; L261-T264 PolarHBondContact O-OG1 3.41Å; S262-T264 PolarHBondContact O-N 3.44Å; T264-D268 HydrophobicContact CG2-CB 3.99Å; T264-R269 HydrophobicContact CG2-CG 4.02Å; T264-R269 PolarHBondContact O-NE 3.26Å; T264-R269 PolarHBondContact O-NH2 3.01Å
265P95.6Very high95.5Very high66 Ų6661.9 Ų61.943%0.42934%0.343SS..  trans-57.5142.5175.7-24.334.4000111.8D263 Q267 D268 R269D263-P265 WeakPolarHBondContact O-CD 3.12Å; P265-Q267 HydrophobicContact CB-CG 4.17Å; P265-Q267 PolarHBondContact O-N 3.46Å; P265-Q267 VanDerWaalsContact O-N 3.09Å; P265-D268 WeakPolarHBondContact CB-OD2 3.35Å; P265-D268 WeakPolarHBondContact CG-OD2 3.38Å; P265-D268 PolarHBondContact O-N 2.68Å; P265-R269 WeakPolarHBondContact O-CG 3.39Å; P265-R269 PolarHBondContact O-N 2.91Å
266R93.2Very high95.5Very high181 Ų18160.3 Ų60.368%0.68333%0.333SS*.Hα-helixtrans-54.9-35.7-174.5-171.6175.7179.5178.10.5113.6D268 R269R266-D268 VanDerWaalsContact C-N 3.29Å; R266-D268 PolarHBondContact O-N 2.75Å; R266-R269 PolarHBondContact O-N 3.35Å
267Q92.6Very high95.5Very high160 Ų16060.2 Ų60.275%0.74833%0.332SS*.Hα-helixtrans-64-31.2178.966.6-161.328.100113.3P265P265-Q267 HydrophobicContact CB-CG 4.17Å; P265-Q267 PolarHBondContact O-N 3.46Å; P265-Q267 VanDerWaalsContact O-N 3.09Å
268D95.8Very high95.5Very high67 Ų6761.1 Ų61.136%0.35834%0.337SS..Hα-helixtrans-87.8-19.8-176.2-56-38.9000112.4T264 P265 R266 C270 H271 N272T264-D268 HydrophobicContact CG2-CB 3.99Å; P265-D268 WeakPolarHBondContact CB-OD2 3.35Å; P265-D268 WeakPolarHBondContact CG-OD2 3.38Å; P265-D268 PolarHBondContact O-N 2.68Å; R266-D268 VanDerWaalsContact C-N 3.29Å; R266-D268 PolarHBondContact O-N 2.75Å; D268-C270 VanDerWaalsContact C-N 3.28Å; D268-C270 PolarHBondContact O-N 2.9Å; D268-H271 PolarHBondContact O-N 3.15Å; D268-N272 PolarHBondContact O-N 3.01Å; D268-N272 VanDerWaalsContact O-N 3.08Å; D268-N272 PolarHBondContact O-ND2 3.17Å
269R96.9Very high95.6Very high34 Ų3465.3 Ų65.313%0.12837%0.367CS..Hα-helixtrans-59.5-38.5-178.6-58.2177.5-170.1174.5-2.2112.4W219 N250 W253 T264 P265 R266 L273W219-R269 HydrophobicContact CH2-CB 4.11Å; W219-R269 HydrophobicContact CH2-CG 4.11Å; N250-R269 WeakPolarHBondContact OD1-CD 3.4Å; N250-R269 PolarHBondContact OD1-NH1 3.48Å; W253-R269 VanDerWaalsContact CD1-NH2 3.32Å; W253-R269 VanDerWaalsContact CD2-CZ 3.43Å; W253-R269 HydrophobicContact CH2-CG 3.89Å; W253-R269 HydrophobicContact CZ2-CG 4.15Å; W253-R269 HydrophobicContact CZ3-CG 4.18Å; W253-R269 VanDerWaalsContact NE1-NH2 3.11Å; T264-R269 HydrophobicContact CG2-CG 4.02Å; T264-R269 PolarHBondContact O-NE 3.26Å; T264-R269 PolarHBondContact O-NH2 3.01Å; P265-R269 WeakPolarHBondContact O-CG 3.39Å; P265-R269 PolarHBondContact O-N 2.91Å; R266-R269 PolarHBondContact O-N 3.35Å; R269-L273 WeakPolarHBondContact O-CB 3.34Å; R269-L273 PolarHBondContact O-N 2.74Å
270C96.3Very high95.7Very high44 Ų4466 Ų6630%0.29736%0.357SS..Hα-helixtrans-58.5-52.6177.6176.80000110.8L246 D268 L274L246-C270 HydrophobicContact CD1-CB 4.39Å; L246-C270 HydrophobicContact CD2-CB 3.92Å; D268-C270 VanDerWaalsContact C-N 3.28Å; D268-C270 PolarHBondContact O-N 2.9Å; C270-L274 WeakPolarHBondContact O-CB 3.32Å; C270-L274 PolarHBondContact O-N 3.27Å
271H96.4Very high95.7Very high116 Ų11666.1 Ų66.154%0.53734%0.34SS..Hα-helixtrans-60.2-50.3-179.7-179.171.3000111.7D268 L273 L274 N275D268-H271 PolarHBondContact O-N 3.15Å; H271-L273 PolarHBondContact O-N 2.96Å; H271-L274 PolarHBondContact O-N 2.78Å; H271-N275 PolarHBondContact CD2-ND2 3.12Å; H271-N275 PolarHBondContact CE1-ND2 2.93Å; H271-N275 PolarHBondContact NE2-ND2 2.94Å; H271-N275 WeakPolarHBondContact O-CB 3.47Å; H271-N275 PolarHBondContact O-N 3.39Å; H271-N275 PolarHBondContact O-ND2 3.35Å; H271-N275 PolarHBondContact O-OD1 3.4Å
272N97.8Very high95.6Very high46 Ų4670.2 Ų70.225%0.24636%0.362CS..Hα-helixtrans-64.2-43.3-176.6-66.8-27.6000112.8W219 D268 N275 A276W219-N272 HydrophobicContact CD2-CB 3.51Å; W219-N272 VanDerWaalsContact CE2-CB 3.41Å; W219-N272 HydrophobicContact CE3-CB 3.82Å; W219-N272 HydrophobicContact CG-CB 4.03Å; W219-N272 HydrophobicContact CH2-CB 3.92Å; W219-N272 HydrophobicContact CZ2-CB 3.66Å; W219-N272 WeakPolarHBondContact CZ2-ND2 3.28Å; W219-N272 HydrophobicContact CZ3-CB 4.01Å; D268-N272 PolarHBondContact O-N 3.01Å; D268-N272 VanDerWaalsContact O-N 3.08Å; D268-N272 PolarHBondContact O-ND2 3.17Å; N272-N275 PolarHBondContact O-N 3.41Å; N272-A276 PolarHBondContact O-N 3.37Å
273L97.3Very high95.6Very high0 Ų070.7 Ų70.70%036%0.357CS..Hα-helixtrans-68.6-41.2179.8-165.667.1000111.6W219 L222 A223 F241 I245 L246 T249 R269 H271 A276 L277W219-L273 HydrophobicContact CE3-CB 4.26Å; W219-L273 HydrophobicContact CE3-CD1 4.17Å; W219-L273 HydrophobicContact CZ3-CB 4.24Å; W219-L273 HydrophobicContact CZ3-CD1 4.48Å; L222-L273 HydrophobicContact CD2-CD1 4.49Å; L222-L273 HydrophobicContact CG-CD1 4.28Å; A223-L273 HydrophobicContact CB-CD1 3.81Å; F241-L273 HydrophobicContact CE2-CB 4.22Å; F241-L273 HydrophobicContact CE2-CD2 4.11Å; F241-L273 HydrophobicContact CE2-CG 4.13Å; F241-L273 HydrophobicContact CZ-CB 4.42Å; I245-L273 HydrophobicContact CG2-CD2 3.96Å; L246-L273 HydrophobicContact CD1-CD2 4.36Å; T249-L273 HydrophobicContact CG2-CD2 4.25Å; R269-L273 WeakPolarHBondContact O-CB 3.34Å; R269-L273 PolarHBondContact O-N 2.74Å; H271-L273 PolarHBondContact O-N 2.96Å; L273-A276 PolarHBondContact O-N 3.4Å; L273-L277 WeakPolarHBondContact O-CG 3.28Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.12Å
274L96.1Very high95.6Very high55 Ų5563.9 Ų63.929%0.28832%0.321SS..Hα-helixtrans-66.4-39.3176.9-17358.3000111.8F241 C270 H271 L277 N278 F297F241-L274 HydrophobicContact CD1-CD1 4.19Å; F241-L274 HydrophobicContact CD2-CD1 4.09Å; F241-L274 HydrophobicContact CE1-CB 4.1Å; F241-L274 HydrophobicContact CE1-CD1 4.26Å; F241-L274 HydrophobicContact CE1-CD2 4.41Å; F241-L274 HydrophobicContact CE1-CG 4.49Å; F241-L274 HydrophobicContact CE2-CB 3.98Å; F241-L274 HydrophobicContact CE2-CD1 4.16Å; F241-L274 HydrophobicContact CG-CD1 4.11Å; F241-L274 HydrophobicContact CZ-CB 3.63Å; F241-L274 HydrophobicContact CZ-CD1 4.26Å; F241-L274 HydrophobicContact CZ-CG 4.4Å; C270-L274 WeakPolarHBondContact O-CB 3.32Å; C270-L274 PolarHBondContact O-N 3.27Å; H271-L274 PolarHBondContact O-N 2.78Å; L274-L277 PolarHBondContact O-N 3.15Å; L274-N278 WeakPolarHBondContact CD1-ND2 3.41Å; L274-N278 WeakPolarHBondContact CG-ND2 3.35Å; L274-N278 WeakPolarHBondContact O-CB 3.31Å; L274-N278 PolarHBondContact O-N 2.84Å; L274-N278 PolarHBondContact O-ND2 2.93Å; L274-F297 HydrophobicContact CD1-CE2 3.83Å; L274-F297 HydrophobicContact CD1-CZ 3.7Å
275N96.8Very high95.4Very high64 Ų6463.4 Ų63.434%0.34232%0.317SS..Hα-helixtrans-61.4-45.9174.3-72.2-12.9000111.1H271 N272 L277 N278 S279H271-N275 PolarHBondContact CD2-ND2 3.12Å; H271-N275 PolarHBondContact CE1-ND2 2.93Å; H271-N275 PolarHBondContact NE2-ND2 2.94Å; H271-N275 WeakPolarHBondContact O-CB 3.47Å; H271-N275 PolarHBondContact O-N 3.39Å; H271-N275 PolarHBondContact O-ND2 3.35Å; H271-N275 PolarHBondContact O-OD1 3.4Å; N272-N275 PolarHBondContact O-N 3.41Å; N275-L277 VanDerWaalsContact C-N 3.33Å; N275-L277 PolarHBondContact O-N 2.91Å; N275-N278 PolarHBondContact O-N 2.87Å; N275-S279 WeakPolarHBondContact O-CB 3.46Å; N275-S279 PolarHBondContact O-N 2.7Å; N275-S279 PolarHBondContact O-OG 3.03Å; N275-S279 VanDerWaalsContact O-OG 3.07Å
276A97.4Very high95.1Very high6 Ų660.5 Ų60.55%0.0530%0.299CS..Hα-helixtrans-57.4-46.2177.500000112W219 V220 A223 N272 L273 N278 H280W219-A276 HydrophobicContact CB-CB 4.03Å; V220-A276 HydrophobicContact CG2-CB 4.31Å; A223-A276 HydrophobicContact CB-CB 4.3Å; N272-A276 PolarHBondContact O-N 3.37Å; L273-A276 PolarHBondContact O-N 3.4Å; A276-N278 VanDerWaalsContact C-N 3.34Å; A276-N278 PolarHBondContact O-N 2.95Å; A276-H280 PolarHBondContact O-N 3.48Å; A276-H280 PolarHBondContact O-ND1 3.14Å
277L96.6Very high94.3Very high0 Ų051.9 Ų51.90%027%0.266CS..Hα-helixtrans-63.7-35.2177.7-72.7169.6000113.5A223 L227 F241 I245 L273 L274 N275 F284 F297A223-L277 HydrophobicContact CB-CD2 3.92Å; A223-L277 HydrophobicContact CB-CG 4.08Å; L227-L277 HydrophobicContact CD1-CD2 3.53Å; L227-L277 HydrophobicContact CG-CD2 4.43Å; F241-L277 HydrophobicContact CD2-CD1 3.56Å; F241-L277 HydrophobicContact CE2-CD1 3.79Å; I245-L277 HydrophobicContact CD1-CD1 4.22Å; I245-L277 HydrophobicContact CG2-CD1 4.5Å; L273-L277 WeakPolarHBondContact O-CG 3.28Å; L273-L277 PolarHBondContact O-N 2.94Å; L273-L277 VanDerWaalsContact O-N 3.12Å; L274-L277 PolarHBondContact O-N 3.15Å; N275-L277 VanDerWaalsContact C-N 3.33Å; N275-L277 PolarHBondContact O-N 2.91Å; L277-F284 HydrophobicContact CD2-CD1 3.94Å; L277-F284 HydrophobicContact CD2-CD2 4.19Å; L277-F284 HydrophobicContact CD2-CE1 4.18Å; L277-F284 HydrophobicContact CD2-CE2 4.39Å; L277-F284 HydrophobicContact CD2-CG 3.95Å; L277-F284 HydrophobicContact CD2-CZ 4.39Å; L277-F297 HydrophobicContact CB-CD1 3.8Å; L277-F297 HydrophobicContact CB-CE1 3.77Å; L277-F297 HydrophobicContact CB-CG 4.31Å; L277-F297 HydrophobicContact CB-CZ 4.26Å; L277-F297 HydrophobicContact CD1-CB 4.48Å; L277-F297 HydrophobicContact CD1-CD1 4.39Å; L277-F297 HydrophobicContact CD1-CD2 4.05Å; L277-F297 HydrophobicContact CD1-CE2 4.37Å; L277-F297 HydrophobicContact CD1-CG 4.05Å; L277-F297 HydrophobicContact CD2-CB 4.26Å; L277-F297 HydrophobicContact CD2-CD1 4.36Å; L277-F297 HydrophobicContact CD2-CG 4.35Å; L277-F297 HydrophobicContact CG-CD1 4.42Å; L277-F297 HydrophobicContact CG-CG 4.49Å
278N94.8Very high93.2Very high62 Ų6251.7 Ų51.733%0.33226%0.263SS..Hα-helixtrans-83.5-33.6-178.2-77.4-48.7000113.5L274 N275 A276 K281L274-N278 WeakPolarHBondContact CD1-ND2 3.41Å; L274-N278 WeakPolarHBondContact CG-ND2 3.35Å; L274-N278 WeakPolarHBondContact O-CB 3.31Å; L274-N278 PolarHBondContact O-N 2.84Å; L274-N278 PolarHBondContact O-ND2 2.93Å; N275-N278 PolarHBondContact O-N 2.87Å; A276-N278 VanDerWaalsContact C-N 3.34Å; A276-N278 PolarHBondContact O-N 2.95Å; N278-K281 WeakPolarHBondContact O-CE 3.38Å
279S95.9Very high91.7Very high91 Ų9153.4 Ų53.464%0.63627%0.269SS*.Hα-helixtrans-83.2-20.2-173.3-60.50000114.2N275N275-S279 WeakPolarHBondContact O-CB 3.46Å; N275-S279 PolarHBondContact O-N 2.7Å; N275-S279 PolarHBondContact O-OG 3.03Å; N275-S279 VanDerWaalsContact O-OG 3.07Å
280H95.4Very high90.1Very high61 Ų6154.8 Ų54.828%0.28228%0.278SS..  trans-109.175.2-174.5-6081.2000111.8V220 A276 D282 R283 F284V220-H280 HydrophobicContact CG1-CB 4.19Å; V220-H280 WeakPolarHBondContact CG2-CE1 3.25Å; V220-H280 WeakPolarHBondContact CG2-NE2 3.4Å; A276-H280 PolarHBondContact O-N 3.48Å; A276-H280 PolarHBondContact O-ND1 3.14Å; H280-D282 PolarHBondContact O-N 2.94Å; H280-R283 PolarHBondContact O-N 3.27Å; H280-R283 VanDerWaalsContact O-N 3.15Å; H280-F284 HydrophobicContact CB-CD2 3.81Å; H280-F284 HydrophobicContact CB-CE2 3.85Å; H280-F284 WeakPolarHBondContact O-CD2 3.35Å; H280-F284 PolarHBondContact O-N 3.04Å
281K92.7Very high88.8Confident96 Ų9662.7 Ų62.742%0.41731%0.307SS..THydrogen-bonded Turntrans-69.4-18.3-177.4-61.5-57.6-172.6-178.60114.3N278 R283 E289N278-K281 WeakPolarHBondContact O-CE 3.38Å; K281-R283 VanDerWaalsContact C-N 3.3Å; K281-E289 WeakPolarHBondContact CE-OE1 3.35Å; K281-E289 IonicContact NZ-OE1 3.27Å; K281-E289 PolarHBondContact NZ-OE1 3.38Å
282D92.4Very high87.5Confident113 Ų11362.5 Ų62.560%0.60431%0.305SS*.THydrogen-bonded Turntrans-68.7-29.7171.363.1-52.2000112.1H280H280-D282 PolarHBondContact O-N 2.94Å
283R95.3Very high86.2Confident58 Ų5867.8 Ų67.822%0.21933%0.326CS..THydrogen-bonded Turntrans-102-35.4-179.2-58.1-171.6-178.6-165.23.2113.5D221 H280 K281 Q300D221-R283 IonicContact OD1-NH1 3.72Å; D221-R283 PolarHBondContact OD1-NH1 3.1Å; H280-R283 PolarHBondContact O-N 3.27Å; H280-R283 VanDerWaalsContact O-N 3.15Å; K281-R283 VanDerWaalsContact C-N 3.3Å; R283-Q300 PolarHBondContact O-N 3.47Å
284F95.8Very high84.9Confident0 Ų075.6 Ų75.60%036%0.36CS..EExtended strand (participates in β ladder)trans-122.7136.5-167.8-49-57.9000113.5V220 A223 H224 L227 L277 H280 G298 L299V220-F284 HydrophobicContact CG1-CE2 4.06Å; V220-F284 HydrophobicContact CG1-CZ 4.31Å; A223-F284 HydrophobicContact CB-CE1 4.49Å; A223-F284 HydrophobicContact CB-CE2 4.39Å; A223-F284 HydrophobicContact CB-CZ 3.9Å; H224-F284 HydrophobicContact CB-CE1 3.92Å; H224-F284 HydrophobicContact CB-CZ 3.92Å; L227-F284 HydrophobicContact CD1-CD1 3.7Å; L227-F284 HydrophobicContact CD1-CE1 3.98Å; L277-F284 HydrophobicContact CD2-CD1 3.94Å; L277-F284 HydrophobicContact CD2-CD2 4.19Å; L277-F284 HydrophobicContact CD2-CE1 4.18Å; L277-F284 HydrophobicContact CD2-CE2 4.39Å; L277-F284 HydrophobicContact CD2-CG 3.95Å; L277-F284 HydrophobicContact CD2-CZ 4.39Å; H280-F284 HydrophobicContact CB-CD2 3.81Å; H280-F284 HydrophobicContact CB-CE2 3.85Å; H280-F284 WeakPolarHBondContact O-CD2 3.35Å; H280-F284 PolarHBondContact O-N 3.04Å; F284-G298 WeakPolarHBondContact CA-O 3.33Å; F284-L299 HydrophobicContact CD1-CD2 4Å; F284-L299 HydrophobicContact CE1-CD2 3.89Å
285V93.1Very high84.5Confident11 Ų1174.9 Ų74.97%0.06736%0.359CS..EExtended strand (participates in β ladder)trans-105.4128.5172.5-177.80000109.5Y238 I290 F297 G298 Q300Y238-V285 HydrophobicContact CE1-CB 4.46Å; Y238-V285 HydrophobicContact CE1-CG1 4.22Å; V285-I290 HydrophobicContact CG1-CG2 4.2Å; V285-F297 WeakPolarHBondContact O-CA 3.37Å; V285-G298 PolarHBondContact N-O 3.04Å; V285-G298 PolarHBondContact O-N 3.46Å; V285-Q300 HydrophobicContact CG2-CB 4.37Å
286S88.3Confident84.3Confident6 Ų673.2 Ų73.24%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-89.3146.2172.8178.50000111.5K288 E289 L296S286-K288 PolarHBondContact O-N 3.09Å; S286-K288 VanDerWaalsContact O-N 3.12Å; S286-K288 PolarHBondContact OG-N 2.84Å; S286-E289 PolarHBondContact N-OE2 2.94Å; S286-E289 WeakPolarHBondContact O-CB 3.4Å; S286-E289 PolarHBondContact O-N 3.3Å; S286-L296 CarbonylContact C-O 3.54Å
287G76.7Confident84.3Confident0 Ų073.1 Ų73.10%035%0.348CS..G310 helixtrans-55.7-27.8172.400000113.2E289 I290 K291 K292 L296G287-E289 VanDerWaalsContact C-N 3.26Å; G287-E289 PolarHBondContact O-N 3.38Å; G287-I290 CarbonylContact O-C 3.53Å; G287-I290 WeakPolarHBondContact O-CG1 3.44Å; G287-I290 PolarHBondContact O-N 3.45Å; G287-K291 PolarHBondContact O-N 3.46Å; G287-K292 CarbonylContact C-O 3.59Å; G287-K292 PolarHBondContact O-N 3.18Å; G287-L296 PolarHBondContact N-O 3.2Å
288K69.4Low84.3Confident156 Ų15673.1 Ų73.168%0.67835%0.348SS*.G310 helixtrans-59.4-36.7174.9-172.7-177.1175.9-171.70112.2S286 I290S286-K288 PolarHBondContact O-N 3.09Å; S286-K288 VanDerWaalsContact O-N 3.12Å; S286-K288 PolarHBondContact OG-N 2.84Å; K288-I290 VanDerWaalsContact C-N 3.26Å; K288-I290 PolarHBondContact O-N 3.07Å
289E64.2Low84.4Confident103 Ų10370.6 Ų70.648%0.48134%0.335SS..G310 helixtrans-75.1-17.8-177.4-67.3152.6-160.100112.3K281 S286 G287K281-E289 WeakPolarHBondContact CE-OE1 3.35Å; K281-E289 IonicContact NZ-OE1 3.27Å; K281-E289 PolarHBondContact NZ-OE1 3.38Å; S286-E289 PolarHBondContact N-OE2 2.94Å; S286-E289 WeakPolarHBondContact O-CB 3.4Å; S286-E289 PolarHBondContact O-N 3.3Å; G287-E289 VanDerWaalsContact C-N 3.26Å; G287-E289 PolarHBondContact O-N 3.38Å
290I63.8Low84.3Confident62 Ų6271.1 Ų71.132%0.31833%0.327SS..G310 helixtrans-119.424.1-178.860.4153.9000113.4Y238 V285 G287 K288 K292Y238-I290 HydrophobicContact CD1-CD1 4.18Å; Y238-I290 HydrophobicContact CD2-CD1 4.31Å; Y238-I290 HydrophobicContact CE1-CD1 3.52Å; Y238-I290 HydrophobicContact CE1-CG1 4.38Å; Y238-I290 HydrophobicContact CE2-CD1 3.66Å; Y238-I290 WeakPolarHBondContact OH-CD1 3.15Å; V285-I290 HydrophobicContact CG1-CG2 4.2Å; G287-I290 CarbonylContact O-C 3.53Å; G287-I290 WeakPolarHBondContact O-CG1 3.44Å; G287-I290 PolarHBondContact O-N 3.45Å; K288-I290 VanDerWaalsContact C-N 3.26Å; K288-I290 PolarHBondContact O-N 3.07Å; I290-K292 HydrophobicContact CD1-CB 4.26Å; I290-K292 HydrophobicContact CD1-CD 3.52Å; I290-K292 HydrophobicContact CD1-CG 3.74Å; I290-K292 HydrophobicContact CG1-CB 4.24Å; I290-K292 HydrophobicContact CG1-CD 4.36Å; I290-K292 HydrophobicContact CG1-CG 4.05Å; I290-K292 PolarHBondContact O-N 2.91Å; I290-K292 VanDerWaalsContact O-N 3.16Å
291K69.3Low84.2Confident211 Ų21171.6 Ų71.692%0.91733%0.334SS*.THydrogen-bonded Turntrans56.627.9179.5-54.2-179.2-179.8179.20114.4G287G287-K291 PolarHBondContact O-N 3.46Å
292K68.7Low84.3Confident111 Ų11171.5 Ų71.548%0.48333%0.331SS..SBendtrans-102.1-179171.4-65.9-166.8-177.51720111.5G287 I290 K294 L296G287-K292 CarbonylContact C-O 3.59Å; G287-K292 PolarHBondContact O-N 3.18Å; I290-K292 HydrophobicContact CD1-CB 4.26Å; I290-K292 HydrophobicContact CD1-CD 3.52Å; I290-K292 HydrophobicContact CD1-CG 3.74Å; I290-K292 HydrophobicContact CG1-CB 4.24Å; I290-K292 HydrophobicContact CG1-CD 4.36Å; I290-K292 HydrophobicContact CG1-CG 4.05Å; I290-K292 PolarHBondContact O-N 2.91Å; I290-K292 VanDerWaalsContact O-N 3.16Å; K292-K294 PolarHBondContact O-N 3.23Å; K292-L296 HydrophobicContact CB-CD1 3.98Å; K292-L296 HydrophobicContact CD-CD1 4.23Å
293K70.5Confident84.4Confident157 Ų15768 Ų6868%0.68332%0.318SS*.  trans-53.8135.7175.4-68.2-174177.9-175.10110.8C295 L296K293-C295 PolarHBondContact O-N 2.66Å; K293-L296 HydrophobicContact CB-CD1 4.08Å; K293-L296 HydrophobicContact CB-CG 4.12Å; K293-L296 PolarHBondContact O-N 2.92Å
294K70.2Confident84.5Confident164 Ų16466 Ų6671%0.71331%0.312SS*.THydrogen-bonded Turntrans-61-25.4-174.2-66.6-179.1-178.5175.50114.1K292 L296K292-K294 PolarHBondContact O-N 3.23Å; K294-L296 VanDerWaalsContact C-N 3.33Å
295C87Confident84.5Confident40 Ų4066 Ų6627%0.2731%0.313SS..THydrogen-bonded Turntrans-84.92.9-178.955.20000114.5D240 F241 K293D240-C295 PolarHBondContact OD2-SG 3.01Å; F241-C295 WeakPolarHBondContact CB-O 3.38Å; F241-C295 PolarHBondContact N-O 3.32Å; K293-C295 PolarHBondContact O-N 2.66Å
296L93.9Very high84.4Confident30 Ų3067.6 Ų67.616%0.15732%0.323CS..EExtended strand (participates in β ladder)trans-90.4136.4179.8-64.7175.3000111.4F239 D240 S286 G287 K292 K293 K294F239-L296 CarbonylContact O-C 3.56Å; F239-L296 WeakPolarHBondContact O-CA 3.48Å; D240-L296 HydrophobicContact CB-CD2 4.1Å; S286-L296 CarbonylContact C-O 3.54Å; G287-L296 PolarHBondContact N-O 3.2Å; K292-L296 HydrophobicContact CB-CD1 3.98Å; K292-L296 HydrophobicContact CD-CD1 4.23Å; K293-L296 HydrophobicContact CB-CD1 4.08Å; K293-L296 HydrophobicContact CB-CG 4.12Å; K293-L296 PolarHBondContact O-N 2.92Å; K294-L296 VanDerWaalsContact C-N 3.33Å
297F96.5Very high84.4Confident4 Ų468.4 Ų68.42%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-129.9151.3174.4-64.7-89.2000111.2L227 Y238 F239 F241 I245 L274 L277 V285L227-F297 HydrophobicContact CD1-CB 4.39Å; Y238-F297 CarbonylContact C-O 3.51Å; Y238-F297 WeakPolarHBondContact CA-O 3.47Å; F239-F297 PolarHBondContact N-O 3.37Å; F239-F297 PolarHBondContact O-N 3.01Å; F241-F297 HydrophobicContact CB-CD2 3.99Å; F241-F297 HydrophobicContact CB-CE2 3.92Å; F241-F297 HydrophobicContact CD2-CE2 4.42Å; F241-F297 HydrophobicContact CG-CE2 4.36Å; I245-F297 HydrophobicContact CD1-CB 3.92Å; I245-F297 HydrophobicContact CD1-CD2 4.38Å; L274-F297 HydrophobicContact CD1-CE2 3.83Å; L274-F297 HydrophobicContact CD1-CZ 3.7Å; L277-F297 HydrophobicContact CB-CD1 3.8Å; L277-F297 HydrophobicContact CB-CE1 3.77Å; L277-F297 HydrophobicContact CB-CG 4.31Å; L277-F297 HydrophobicContact CB-CZ 4.26Å; L277-F297 HydrophobicContact CD1-CB 4.48Å; L277-F297 HydrophobicContact CD1-CD1 4.39Å; L277-F297 HydrophobicContact CD1-CD2 4.05Å; L277-F297 HydrophobicContact CD1-CE2 4.37Å; L277-F297 HydrophobicContact CD1-CG 4.05Å; L277-F297 HydrophobicContact CD2-CB 4.26Å; L277-F297 HydrophobicContact CD2-CD1 4.36Å; L277-F297 HydrophobicContact CD2-CG 4.35Å; L277-F297 HydrophobicContact CG-CD1 4.42Å; L277-F297 HydrophobicContact CG-CG 4.49Å; V285-F297 WeakPolarHBondContact O-CA 3.37Å
298G95.9Very high84.5Confident0 Ų075.3 Ų75.30%037%0.369CS..EExtended strand (participates in β ladder)trans-152.5167.4172.800000111.1K237 F284 V285K237-G298 WeakPolarHBondContact O-CA 3.45Å; F284-G298 WeakPolarHBondContact CA-O 3.33Å; V285-G298 PolarHBondContact N-O 3.04Å; V285-G298 PolarHBondContact O-N 3.46Å
299L96.6Very high84.6Confident8 Ų871.9 Ų71.94%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-76.3142.3175.1-62.2173.8000111L227 Y228 K237 F284 V301L227-L299 HydrophobicContact CB-CD2 3.92Å; L227-L299 HydrophobicContact CB-CG 4.02Å; L227-L299 HydrophobicContact CD1-CD2 4.19Å; Y228-L299 HydrophobicContact CD2-CD1 3.84Å; Y228-L299 HydrophobicContact CG-CD1 4.37Å; K237-L299 WeakPolarHBondContact CE-O 3.36Å; F284-L299 HydrophobicContact CD1-CD2 4Å; F284-L299 HydrophobicContact CE1-CD2 3.89Å; L299-V301 WeakPolarHBondContact CB-O 3.21Å
300Q94.3Very high85.1Confident102 Ų10270 Ų7048%0.47736%0.358SS..SBendtrans-59.3-55.8169.6-171.876.518.200109.4R283 V285R283-Q300 PolarHBondContact O-N 3.47Å; V285-Q300 HydrophobicContact CG2-CB 4.37Å
301V93.7Very high84.3Confident72 Ų7274.8 Ų74.844%0.43638%0.383SS..SBendtrans-117.1131.3174.9-178.90000108.4L299 A303L299-V301 WeakPolarHBondContact CB-O 3.21Å; V301-A303 HydrophobicContact CG1-CB 4.12Å; V301-A303 PolarHBondContact O-N 2.89Å
302R94.4Very high83Confident94 Ų9469.5 Ų69.536%0.35537%0.373SS..  trans-8065.5179.2-163.2-172.2-167.3-170.81.5111Y228 S231Y228-R302 HydrophobicContact CE2-CG 4.34Å; S231-R302 PolarHBondContact O-NH2 3.21Å; S231-R302 PolarHBondContact OG-NE 3.27Å
303A94.8Very high81.7Confident38 Ų3869.9 Ų69.931%0.31439%0.387SS..SBendtrans-121.1154174.500000110.3H224 Y228 V301H224-A303 PolarHBondContact NE2-O 3.41Å; Y228-A303 WeakPolarHBondContact CD2-O 3.12Å; V301-A303 HydrophobicContact CG1-CB 4.12Å; V301-A303 PolarHBondContact O-N 2.89Å
304P96.5Very high80.2Confident17 Ų1769.3 Ų69.311%0.1139%0.391CS..PPolyproline II helixtrans-55159172.5-28.639.6000112.6W165 N166 Y228W165-P304 HydrophobicContact CH2-CB 4.31Å; W165-P304 HydrophobicContact CH2-CG 3.47Å; W165-P304 VanDerWaalsContact CH2-CG 3.47Å; W165-P304 HydrophobicContact CZ2-CG 4.37Å; W165-P304 HydrophobicContact CZ3-CB 4.37Å; W165-P304 HydrophobicContact CZ3-CG 3.73Å; N166-P304 HydrophobicContact CB-CG 4.07Å; Y228-P304 HydrophobicContact CD1-CG 4.39Å; Y228-P304 HydrophobicContact CE1-CB 4.34Å; Y228-P304 HydrophobicContact CE1-CG 3.71Å; Y228-P304 HydrophobicContact CE2-CG 4.07Å
305P95.8Very high78.5Confident1 Ų167.5 Ų67.51%0.00639%0.393CS..PPolyproline II helixtrans-60.3136.9174.6-14.726.8000110.6F197 H224 L225F197-P305 HydrophobicContact CE2-CB 3.91Å; F197-P305 HydrophobicContact CE2-CG 4.27Å; F197-P305 HydrophobicContact CZ-CB 4.28Å; H224-P305 HydrophobicContact CB-CB 4.07Å; H224-P305 HydrophobicContact CB-CG 3.95Å; L225-P305 HydrophobicContact CB-CG 3.88Å; L225-P305 HydrophobicContact CD1-CG 4.26Å
306P92.4Very high76.2Confident43 Ų4370.5 Ų70.528%0.27941%0.41SS..PPolyproline II helixtrans-67.9145.6175.429.4-34.3000110.5
307L88.5Confident73.2Confident24 Ų2475.5 Ų75.513%0.12644%0.437CS..PPolyproline II helixtrans-84.5151.9167.6-65.2-178.2000109.9R196 F197 S309 D310R196-L307 HydrophobicContact CB-CD1 3.98Å; R196-L307 HydrophobicContact CB-CD2 4.03Å; R196-L307 HydrophobicContact CB-CG 4.04Å; F197-L307 HydrophobicContact CD1-CD2 4.01Å; F197-L307 HydrophobicContact CD2-CD2 4.33Å; F197-L307 HydrophobicContact CE1-CD2 4.03Å; F197-L307 HydrophobicContact CE2-CD2 4.34Å; F197-L307 HydrophobicContact CG-CD2 4.14Å; F197-L307 HydrophobicContact CZ-CD2 4.17Å; L307-S309 PolarHBondContact O-N 3Å; L307-D310 PolarHBondContact N-OD2 3Å; L307-D310 WeakPolarHBondContact O-CB 3.22Å; L307-D310 PolarHBondContact O-N 3.46Å
308T78.5Confident70Confident144 Ų14480.4 Ų80.488%0.88347%0.469SS*.THydrogen-bonded Turntrans-60.6-24.2174.349.10000113.1D310T308-D310 VanDerWaalsContact C-N 3.31Å
309S72Confident67.1Low84 Ų8484.7 Ų84.759%0.58750%0.497SS*.THydrogen-bonded Turntrans-77.7-10.6175.454.20000114.4L307 L311L307-S309 PolarHBondContact O-N 3Å; S309-L311 VanDerWaalsContact C-N 3.26Å; S309-L311 PolarHBondContact O-N 3.08Å
310D74.2Confident63.9Low64 Ų6491.7 Ų91.734%0.34253%0.533SS..  trans-76.677178.9-62.3-22.6000108.9R196 L307 T308 S312R196-D310 IonicContact CZ-OD1 3.57Å; R196-D310 IonicContact CZ-OD2 2.75Å; R196-D310 IonicContact NH1-OD1 3.13Å; R196-D310 IonicContact NH1-OD2 2.84Å; R196-D310 PolarHBondContact NH1-OD2 2.99Å; R196-D310 IonicContact NH2-OD1 2.82Å; R196-D310 PolarHBondContact NH2-OD1 3.26Å; R196-D310 IonicContact NH2-OD2 3.79Å; L307-D310 PolarHBondContact N-OD2 3Å; L307-D310 WeakPolarHBondContact O-CB 3.22Å; L307-D310 PolarHBondContact O-N 3.46Å; T308-D310 VanDerWaalsContact C-N 3.31Å; D310-S312 PolarHBondContact O-N 3.35Å
311L47.4Very low60.7Low162 Ų16291.9 Ų91.985%0.84855%0.545SS*.  trans-76.381.1176.2-70.6174.1000111.2S309S309-L311 VanDerWaalsContact C-N 3.26Å; S309-L311 PolarHBondContact O-N 3.08Å
312S41.8Very low57.8Low100 Ų10092.1 Ų92.170%0.69954%0.544SS*.SBendtrans-173.6146.3149.9-91.20000111.3D310 L314D310-S312 PolarHBondContact O-N 3.35Å; S312-L314 PolarHBondContact O-N 3.27Å
313P39.8Very low54.8Low119 Ų11991.7 Ų91.777%0.77355%0.551SS**  trans-62.4124.9170.626.7-31000108.7V315P313-V315 PolarHBondContact O-N 3.32Å
314L39.2Very low52.5Low146 Ų14692.3 Ų92.376%0.76455%0.548SS*.  trans-49.9103.8172.8-73155.3000109.2S312 T316S312-L314 PolarHBondContact O-N 3.27Å; L314-T316 VanDerWaalsContact C-N 3.28Å; L314-T316 HydrophobicContact CB-CG2 4.44Å; L314-T316 PolarHBondContact O-N 3.11Å
315V35.3Very low50.7Low125 Ų12596.2 Ų96.276%0.75856%0.56SS**  trans-65.7103.3152.8175.50000104.4P313 D317P313-V315 PolarHBondContact O-N 3.32Å; V315-D317 VanDerWaalsContact C-N 3.25Å; V315-D317 PolarHBondContact O-N 3.25Å
316T39.3Very low48.8Very low104 Ų104100.6 Ų100.664%0.63858%0.576SS**  trans-71.481.3179.750.10000109.1L314L314-T316 VanDerWaalsContact C-N 3.28Å; L314-T316 HydrophobicContact CB-CG2 4.44Å; L314-T316 PolarHBondContact O-N 3.11Å
317D30.6Very low47Very low135 Ų13599.5 Ų99.572%0.72257%0.57SS**PPolyproline II helixtrans-75.4131.6151.9-78.1-34.5000107.9V315V315-D317 VanDerWaalsContact C-N 3.25Å; V315-D317 PolarHBondContact O-N 3.25Å
318P29.1Very low45.1Very low106 Ų10698.9 Ų98.969%0.68857%0.567SS**PPolyproline II helixtrans-58.1133.2174.824.8-31.1000107.5I320P318-I320 PolarHBondContact O-N 3.23Å
319P35Very low43.6Very low91 Ų9196.3 Ų96.359%0.59155%0.548SS*.PPolyproline II helixtrans-56.9125.7174.221.7-29.7000107.7S321P319-S321 PolarHBondContact O-N 3.3Å
320I29.8Very low42.5Very low155 Ų15594 Ų9480%0.79553%0.532SS*.  trans-43.2130.2162.4-62.2170.6000105.8P318 I322P318-I320 PolarHBondContact O-N 3.23Å; I320-I322 VanDerWaalsContact C-N 3.26Å; I320-I322 PolarHBondContact O-N 3.43Å
321S25.8Very low40.8Very low105 Ų10597.9 Ų97.973%0.73455%0.551SS**  trans-53.889.1-178.6168.70000110.5P319 T323P319-S321 PolarHBondContact O-N 3.3Å; S321-T323 PolarHBondContact O-N 3.46Å
322I33.2Very low40.2Very low78 Ų7894.1 Ų94.140%0.454%0.537SS..  trans-68.2104.6169.2-63.9164.2000104.3I320 H324I320-I322 VanDerWaalsContact C-N 3.26Å; I320-I322 PolarHBondContact O-N 3.43Å; I322-H324 PolarHBondContact O-CD2 3.04Å; I322-H324 PolarHBondContact O-N 2.72Å
323T32.6Very low40Very low85 Ų8593 Ų9352%0.52153%0.528SS..  trans-58.792164.348.50000106.6S321 R325S321-T323 PolarHBondContact O-N 3.46Å; T323-R325 WeakPolarHBondContact O-CG 3.46Å; T323-R325 PolarHBondContact O-N 3.09Å
324H45.9Very low39.7Very low50 Ų5094.7 Ų94.723%0.23153%0.526CS..  trans-61.5110.5-179.5-70.3-66.5000109.1E164 L232 I322E164-H324 IonicContact OE2-ND1 2.88Å; L232-H324 WeakPolarHBondContact CD2-CE1 3.46Å; L232-H324 VanDerWaalsContact CD2-NE2 3.34Å; L232-H324 WeakPolarHBondContact CD2-NE2 3.32Å; I322-H324 PolarHBondContact O-CD2 3.04Å; I322-H324 PolarHBondContact O-N 2.72Å
325R58.8Low39.4Very low100 Ų10096.6 Ų96.638%0.37752%0.523SS..  trans-97115.8-176.2-44.1-167.7175.3-154.8-4.7108.6W14 F44 T323W14-R325 HydrophobicContact CH2-CB 4.22Å; W14-R325 HydrophobicContact CZ2-CB 3.54Å; F44-R325 VanDerWaalsContact CD1-NH1 3.33Å; F44-R325 HydrophobicContact CE1-CB 4.42Å; F44-R325 HydrophobicContact CE1-CG 4.32Å; T323-R325 WeakPolarHBondContact O-CG 3.46Å; T323-R325 PolarHBondContact O-N 3.09Å
326R56.3Low39.2Very low92 Ų92101.8 Ų101.835%0.34753%0.529SS..  trans-71.9141.6173.5-97.8-175.7-176.5-160.59.9108.3C233 S330C233-R326 PolarHBondContact O-NH2 3.23Å; R326-S330 VanDerWaalsContact CB-OG 3.27Å; R326-S330 WeakPolarHBondContact CB-OG 3.38Å; R326-S330 WeakPolarHBondContact CD-OG 3.4Å; R326-S330 WeakPolarHBondContact CG-OG 3.21Å
327S54.7Low38.8Very low20 Ų20102.4 Ų102.414%0.1453%0.532CS..  trans-58.6143.1167.8-41.90000109.8D16 Y20 L329 S330D16-S327 WeakPolarHBondContact OD2-CB 3.46Å; D16-S327 PolarHBondContact OD2-OG 3.24Å; Y20-S327 VanDerWaalsContact OH-CB 3.23Å; Y20-S327 WeakPolarHBondContact OH-CB 3.26Å; S327-L329 PolarHBondContact O-N 3.41Å; S327-S330 WeakPolarHBondContact O-CB 3.34Å; S327-S330 PolarHBondContact O-N 3.2Å; S327-S330 PolarHBondContact O-OG 2.87Å
328P47.2Very low39Very low11 Ų1199.9 Ų99.97%0.07154%0.538CS..THydrogen-bonded Turntrans-54.7-23.9-176.3-28.634.7000114.9Y20 F38 D40Y20-P328 HydrophobicContact CD1-CB 4.11Å; Y20-P328 HydrophobicContact CD1-CG 4.18Å; Y20-P328 HydrophobicContact CG-CG 4.29Å; F38-P328 HydrophobicContact CB-CB 3.85Å; F38-P328 HydrophobicContact CB-CG 3.9Å; F38-P328 HydrophobicContact CD1-CB 4.32Å; F38-P328 HydrophobicContact CD1-CG 3.67Å; F38-P328 HydrophobicContact CD2-CG 3.96Å; F38-P328 HydrophobicContact CE1-CG 4.13Å; F38-P328 HydrophobicContact CE2-CG 4.44Å; F38-P328 HydrophobicContact CG-CB 4.08Å; F38-P328 HydrophobicContact CG-CG 3.55Å; D40-P328 WeakPolarHBondContact OD2-CA 3.29Å
329L47.8Very low38.8Very low91 Ų9198.1 Ų98.148%0.47654%0.539SS..THydrogen-bonded Turntrans-10722.3177.8-55.4171.8000113.9Y20 R115 S327 L331Y20-L329 HydrophobicContact CD1-CD1 3.79Å; Y20-L329 HydrophobicContact CD1-CG 3.82Å; Y20-L329 HydrophobicContact CE1-CB 3.85Å; Y20-L329 HydrophobicContact CE1-CD1 3.66Å; Y20-L329 HydrophobicContact CE1-CG 3.64Å; R115-L329 PolarHBondContact NH1-O 3.4Å; R115-L329 VanDerWaalsContact NH2-C 3.28Å; R115-L329 PolarHBondContact NH2-O 3.14Å; R115-L329 VanDerWaalsContact NH2-O 3.09Å; S327-L329 PolarHBondContact O-N 3.41Å; L329-L331 PolarHBondContact O-N 3.43Å
330S47.7Very low38.4Very low35 Ų3599 Ų9925%0.24555%0.547CS..PPolyproline II helixtrans-76.5117.6-178.753.70000111.6R326 S327R326-S330 VanDerWaalsContact CB-OG 3.27Å; R326-S330 WeakPolarHBondContact CB-OG 3.38Å; R326-S330 WeakPolarHBondContact CD-OG 3.4Å; R326-S330 WeakPolarHBondContact CG-OG 3.21Å; S327-S330 WeakPolarHBondContact O-CB 3.34Å; S327-S330 PolarHBondContact O-N 3.2Å; S327-S330 PolarHBondContact O-OG 2.87Å
331L39.3Very low38.2Very low145 Ų145101.1 Ų101.176%0.75955%0.554SS**PPolyproline II helixtrans-61.7138.3176.9-76.9162.2000110.5L329L329-L331 PolarHBondContact O-N 3.43Å
332P35.5Very low38.3Very low84 Ų84101.5 Ų101.555%0.54556%0.556SS.*PPolyproline II helixtrans-62.7140.4169.4-13.426.3000110.3Q334P332-Q334 PolarHBondContact O-N 3.43Å
333C36.2Very low38.1Very low76 Ų76109.7 Ų109.751%0.51458%0.582SS.*  trans-58.7106.6161.1-177.80000107.2R335C333-R335 PolarHBondContact O-N 2.96Å
334Q34Very low37.8Very low154 Ų154115.7 Ų115.772%0.7260%0.601SS**  trans-68.1114.5-177.1-71-173.3-0.700109.1P332 R336P332-Q334 PolarHBondContact O-N 3.43Å; Q334-R336 PolarHBondContact O-N 2.76Å
335R34.2Very low36.9Very low186 Ų186119 Ų11970%0.70263%0.63SS**  trans-69.2104.4158.5-87.3-180168.2172.9-3.6107.5C333 V337C333-R335 PolarHBondContact O-N 2.96Å; R335-V337 VanDerWaalsContact C-N 3.25Å; R335-V337 HydrophobicContact CB-CG2 4.12Å; R335-V337 PolarHBondContact O-N 2.99Å
336R30.6Very low35.4Very low234 Ų234124.2 Ų124.288%0.88366%0.655SS**  trans-73.689.8157.6-77.2-172.2-177.9-172.42.1107.5Q334 G338Q334-R336 PolarHBondContact O-N 2.76Å; R336-G338 PolarHBondContact O-N 3.3Å
337V29.8Very low34.1Very low118 Ų118131.4 Ų131.472%0.71568%0.682SS**  trans-76.3110.7164-174.70000106.1R335 G339R335-V337 VanDerWaalsContact C-N 3.25Å; R335-V337 HydrophobicContact CB-CG2 4.12Å; R335-V337 PolarHBondContact O-N 2.99Å; V337-G339 PolarHBondContact O-N 3.17Å; V337-G339 VanDerWaalsContact O-N 3.14Å
338G35.1Very low32.8Very low82 Ų82142.3 Ų142.385%0.84572%0.72SS**  trans-60.1113.1168.600000109.2R336R336-G338 PolarHBondContact O-N 3.3Å
339G25.3Very low31.9Very low68 Ų68149.2 Ų149.270%0.70176%0.755SS**  trans-123.4125.8177.900000109.9V337V337-G339 PolarHBondContact O-N 3.17Å; V337-G339 VanDerWaalsContact O-N 3.14Å
340S26.2Very low30.9Very low109 Ų109153.2 Ų153.276%0.76277%0.774SS**  trans-40.4137.3-18052.50000115.8S342S340-S342 PolarHBondContact O-N 2.97Å
341E27Very low29.9Very low200 Ų200160.4 Ų160.494%0.93580%0.803SS**PPolyproline II helixtrans-52.5120.7166.9-65-163.5127.600111.4
342S27.7Very low29.4Very low113 Ų113159.6 Ų159.679%0.7981%0.805SS**PPolyproline II helixtrans-101.7126.8165.1-82.50000110.1S340S340-S342 PolarHBondContact O-N 2.97Å
343R27.7Very low29Very low250 Ų250164.6 Ų164.694%0.94382%0.821SS**PPolyproline II helixtrans-47.2128.9-177.1-71.3167.3169.9173.6-4.7112.9S345R343-S345 PolarHBondContact O-N 3.09Å
344K27.3Very low28.7Very low212 Ų212167.7 Ų167.792%0.92284%0.837SS**PPolyproline II helixtrans-63.9123.1169.7-72.4178.6176.6175.90110.5
345S26.5Very low28.5Very low120 Ų120165.8 Ų165.884%0.83984%0.841SS**PPolyproline II helixtrans-96.6125.4165.5-157.70000109.4R343R343-S345 PolarHBondContact O-N 3.09Å
346K27.9Very low28.3Very low208 Ų208161.8 Ų161.890%0.90485%0.847SS**PPolyproline II helixtrans-68.9127.6-179.8-78.3174.6172.6175.60110.3
347R28.9Very low28.3Very low243 Ų243156 Ų15692%0.91784%0.842SS**  trans-113.9125.3161.1-99-178.6173.3178.4-2.3109.8
348R26.8Very low28.4Very low249 Ų249157.1 Ų157.194%0.9485%0.849SS**PPolyproline II helixtrans-59.7138.3172.7-96175.6170.9-177.6-3.3110.5
349I28.8Very low28.3Very low157 Ų157158.4 Ų158.481%0.80585%0.845SS**PPolyproline II helixtrans-95.3125.3164.3-64.4171.5000106.6
350M27.4Very low28.7Very low175 Ų175162.3 Ų162.386%0.86289%0.886SS**PPolyproline II helixtrans-96.7118.2163.8-95.4170.568.200107.1
351E26.1Very low28.8Very low185 Ų185165 Ų16586%0.86489%0.892SS**PPolyproline II helixtrans-74.2132.8169.7-71.2175.7147.700109.2
352T27.9Very low28.9Very low129 Ų129163.2 Ų163.279%0.79189%0.89SS**  trans-110111.6171.6-41.10000107.4
353Q27.6Very low29Very low189 Ų189165.9 Ų165.988%0.88390%0.896SS**PPolyproline II helixtrans-71.8133.2172.6-78.6178.3-28.300109.9
354V30.1Very low29Very low141 Ų141161 Ų16186%0.85589%0.893SS**PPolyproline II helixtrans-98.3117.6168.6176.80000108
355S29.6Very low29.2Very low114 Ų114157.8 Ų157.880%0.79789%0.891SS**PPolyproline II helixtrans-81.412817230.70000110.4
356A29.9Very low29.3Very low101 Ų101160.3 Ų160.384%0.83589%0.894SS**  trans-95.4115.9167.900000109
357S31.5Very low29.4Very low112 Ų112156.9 Ų156.978%0.78389%0.894SS**  trans-96.5118.1168.4430000109.9
358V30.7Very low29.5Very low142 Ų142150.3 Ų150.386%0.86189%0.892SS**  trans-76.5132.8167.81760000108.2
359S33.7Very low29.7Very low109 Ų109142.1 Ų142.176%0.76289%0.888SS**  trans-123.6133.1165.6-470000107.7
360G33.2Very low29.8Very low151 Ų151140.7 Ų140.7100%1.55790%0.895SS**  trans-77.20161.200000112.3

Retrieved 360 of 360 residues in 695.4 ms (Link to these results)

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