A0A024DBG7_HUMAN Loading...

Tyrosinase

This is a copper-containing oxidase that functions in the formation of pigments such as melanins and other polyphenolic compounds. Catalyzes the initial and rate limiting step in the cascade of reactions leading to melanin production from tyrosine. In addition to hydroxylating tyrosine to DOPA (3,4-dihydroxyphenylalanine), also catalyzes the oxidation of DOPA to DOPA-quinone, and possibly the oxidation of DHI (5,6-dihydroxyindole) to indole-5,6 quinone.

AlphaFold DB , UniProt , Accession A0A024DBG7, Species HUMAN (Homo sapiens, Human), Gene TYR, Length 529 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
1M37.8Very low36.1Very low225 Ų225161.5 Ų161.5100%1.10884%0.842SS**  094.10-66.816073.800105.8
2L34.7Very low35.6Very low141 Ų141155.7 Ų155.774%0.73883%0.825SS**  84.395.689.1-77157.8000109.4
3L40.8Very low35.1Very low174 Ų174155.6 Ų155.691%0.91181%0.814SS**  51.466.768.4-62.4162.5000111.8
4A37.8Very low34.5Very low91 Ų91157 Ų15775%0.75281%0.814SS**  trans-153.24.8179.200000116.1
5V39.3Very low34.1Very low136 Ų136153.1 Ų153.182%0.82480%0.8SS**SBendtrans-129-26.8-172.2-169.70000114.5Y7V5-Y7 PolarHBondContact O-N 3.21Å
6L38.4Very low34.1Very low169 Ų169147.8 Ų147.889%0.88578%0.78SS**THydrogen-bonded Turntrans-77100.1160.3-84.577.7000108.5
7Y36.2Very low33.9Very low201 Ų201139.3 Ų139.379%0.78874%0.735SS**THydrogen-bonded Turntrans-174.9-7.4140.3-124.4-89.9000116.8V5V5-Y7 PolarHBondContact O-N 3.21Å
8C36.2Very low34Very low121 Ų121131.6 Ų131.682%0.81870%0.695SS**SBendtrans-103.90.4-158.9-66.20000119
9L35.4Very low35.3Very low168 Ų168125.1 Ų125.188%0.8866%0.66SS**SBendtrans-134.825.5-173.7-76.4175.3000116.1
10L32.1Very low37.8Very low157 Ų157118.9 Ų118.982%0.82263%0.627SS**  trans-131.552.8167.1-75.1176.4000111.6
11W28.6Very low40.5Very low194 Ų194113.2 Ų113.274%0.73560%0.598SS**  trans-102.359.9158.4-89.853.3000109.5F13W11-F13 VanDerWaalsContact C-N 3.29Å; W11-F13 AromaticContact CE3-CE1 3.92Å; W11-F13 HydrophobicContact CE3-CE1 3.92Å; W11-F13 AromaticContact CE3-CE2 3.91Å; W11-F13 HydrophobicContact CE3-CE2 3.91Å; W11-F13 AromaticContact CE3-CZ 3.51Å; W11-F13 HydrophobicContact CE3-CZ 3.51Å; W11-F13 AromaticContact CZ3-CE1 3.95Å; W11-F13 HydrophobicContact CZ3-CE1 3.95Å; W11-F13 AromaticContact CZ3-CZ 3.79Å; W11-F13 HydrophobicContact CZ3-CZ 3.79Å; W11-F13 PolarHBondContact O-N 2.85Å
12S29.7Very low43.2Very low91 Ų91105.8 Ų105.864%0.63656%0.557SS**  trans-67.192.815950.60000107.8Q14S12-Q14 PolarHBondContact O-N 3.02Å
13F28.9Very low46.1Very low155 Ų155101.8 Ų101.868%0.6854%0.544SS*.  trans-58.2103.9170.8-75.1-90.3000108.8W11 T15W11-F13 VanDerWaalsContact C-N 3.29Å; W11-F13 AromaticContact CE3-CE1 3.92Å; W11-F13 HydrophobicContact CE3-CE1 3.92Å; W11-F13 AromaticContact CE3-CE2 3.91Å; W11-F13 HydrophobicContact CE3-CE2 3.91Å; W11-F13 AromaticContact CE3-CZ 3.51Å; W11-F13 HydrophobicContact CE3-CZ 3.51Å; W11-F13 AromaticContact CZ3-CE1 3.95Å; W11-F13 HydrophobicContact CZ3-CE1 3.95Å; W11-F13 AromaticContact CZ3-CZ 3.79Å; W11-F13 HydrophobicContact CZ3-CZ 3.79Å; W11-F13 PolarHBondContact O-N 2.85Å; F13-T15 VanDerWaalsContact C-N 3.31Å; F13-T15 HydrophobicContact CB-CG2 4.11Å; F13-T15 PolarHBondContact O-N 3.27Å
14Q27.3Very low48.7Very low175 Ų17593.5 Ų93.582%0.81850%0.501SS*.  trans-72.391.3167.2-70.6-178-70.900107.7S12 S16S12-Q14 PolarHBondContact O-N 3.02Å; Q14-S16 PolarHBondContact O-N 2.76Å
15T28.6Very low51.4Low99 Ų9989.7 Ų89.761%0.60747%0.468SS*.  trans-81.357179.555.10000111.6F13 A17 R22F13-T15 VanDerWaalsContact C-N 3.31Å; F13-T15 HydrophobicContact CB-CG2 4.11Å; F13-T15 PolarHBondContact O-N 3.27Å; T15-A17 PolarHBondContact O-N 3.05Å; T15-R22 PolarHBondContact O-NH1 3.4Å
16S33.3Very low54.1Low68 Ų6885.7 Ų85.748%0.47645%0.446SS..  trans-59.8130.2166-44.50000108.6Q14 F167Q14-S16 PolarHBondContact O-N 2.76Å; S16-F167 WeakPolarHBondContact CB-O 3.42Å
17A31.5Very low56.9Low3 Ų379.5 Ų79.53%0.02542%0.417CS..  trans-136.7174-174.600000111T15 R22 V25 V150 F167 N168T15-A17 PolarHBondContact O-N 3.05Å; A17-R22 HydrophobicContact CB-CB 4.21Å; A17-R22 HydrophobicContact CB-CG 3.63Å; A17-V25 HydrophobicContact CB-CG2 3.66Å; A17-V150 VanDerWaalsContact C-CG2 3.46Å; A17-V150 CarbonylContact C-O 3.59Å; A17-V150 VanDerWaalsContact C-O 3.28Å; A17-V150 HydrophobicContact CB-CG2 3.74Å; A17-V150 WeakPolarHBondContact O-CG2 3.48Å; A17-F167 CarbonylContact O-C 3.48Å; A17-F167 WeakPolarHBondContact O-CB 3.49Å; A17-N168 CarbonylContact O-C 3.46Å; A17-N168 PolarHBondContact O-N 3.28Å; A17-N168 VanDerWaalsContact O-N 3.09Å
18G36.2Very low59.7Low0 Ų075.9 Ų75.90%041%0.406CS..  trans-110.5171.7-167.200000116.7F20 V150 F167G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 CarbonylContact C-O 3.57Å; G18-F20 PolarHBondContact O-N 3.37Å; G18-V150 CarbonylContact C-O 3.37Å; G18-V150 WeakPolarHBondContact CA-O 3.43Å; G18-V150 PolarHBondContact N-O 3.11Å; G18-V150 CarbonylContact O-C 3.53Å; G18-V150 WeakPolarHBondContact O-CA 3.15Å; G18-V150 PolarHBondContact O-N 3.19Å; G18-F167 VanDerWaalsContact CA-CB 3.49Å
19H57.2Low62.5Low8 Ų871.6 Ų71.64%0.03737%0.374CS..SBendtrans-57-45.6-178.2164.555.6000112Y149 V150 P152 L175 W178 M179 P428H19-Y149 WeakPolarHBondContact O-CA 3.25Å; H19-Y149 VanDerWaalsContact O-CB 3.25Å; H19-Y149 WeakPolarHBondContact O-CB 3.18Å; H19-Y149 VanDerWaalsContact O-CD1 3.23Å; H19-Y149 WeakPolarHBondContact O-CD1 3.09Å; H19-V150 PolarHBondContact N-O 3.43Å; H19-P152 VanDerWaalsContact CB-CD 3.43Å; H19-L175 WeakPolarHBondContact ND1-CD1 3.45Å; H19-W178 HydrophobicContact CB-CE3 4.2Å; H19-W178 HydrophobicContact CB-CH2 4.48Å; H19-W178 HydrophobicContact CB-CZ3 3.84Å; H19-W178 AromaticContact CG-CZ3 3.77Å; H19-M179 WeakPolarHBondContact CE1-CE 3.21Å; H19-M179 WeakPolarHBondContact CE1-CG 3.42Å; H19-M179 PolarHBondContact CE1-SD 2.62Å; H19-P428 PolarHBondContact CD2-O 3.27Å; H19-P428 WeakPolarHBondContact NE2-CG 3.26Å; H19-P428 PolarHBondContact NE2-O 2.73Å
20F86.9Confident65.4Low2 Ų263.6 Ų63.61%0.00933%0.332CS..SBendtrans-27.7159.2151.9-52.4-77.4000114.2G18 R22 V25 W80 F84 Y85 P152 F167 I430G18-F20 VanDerWaalsContact C-N 3.31Å; G18-F20 CarbonylContact C-O 3.57Å; G18-F20 PolarHBondContact O-N 3.37Å; F20-R22 PolarHBondContact O-N 2.89Å; F20-V25 HydrophobicContact CB-CG1 3.43Å; F20-V25 VanDerWaalsContact CB-CG1 3.43Å; F20-V25 HydrophobicContact CD2-CG1 4.2Å; F20-V25 HydrophobicContact CG-CG1 4.08Å; F20-W80 HydrophobicContact CD1-CH2 4.46Å; F20-W80 AromaticContact CE1-CH2 3.49Å; F20-W80 HydrophobicContact CE1-CH2 3.49Å; F20-W80 VanDerWaalsContact CE1-CH2 3.49Å; F20-W80 HydrophobicContact CE1-CZ2 4.27Å; F20-W80 HydrophobicContact CE1-CZ3 4.21Å; F20-W80 AromaticContact CZ-CH2 3.81Å; F20-W80 HydrophobicContact CZ-CH2 3.81Å; F20-W80 HydrophobicContact CZ-CZ3 4.26Å; F20-F84 HydrophobicContact CE1-CB 4.05Å; F20-F84 HydrophobicContact CE1-CD1 4.1Å; F20-F84 AromaticContact CE1-CD2 3.9Å; F20-F84 HydrophobicContact CE1-CD2 3.9Å; F20-F84 HydrophobicContact CE1-CE2 4.41Å; F20-F84 AromaticContact CE1-CG 3.74Å; F20-F84 HydrophobicContact CE1-CG 3.74Å; F20-F84 HydrophobicContact CE2-CD1 4.28Å; F20-F84 HydrophobicContact CE2-CE1 4.18Å; F20-F84 HydrophobicContact CE2-CZ 4.5Å; F20-F84 HydrophobicContact CZ-CB 4.44Å; F20-F84 AromaticContact CZ-CD1 3.64Å; F20-F84 HydrophobicContact CZ-CD1 3.64Å; F20-F84 AromaticContact CZ-CD2 3.74Å; F20-F84 HydrophobicContact CZ-CD2 3.74Å; F20-F84 AromaticContact CZ-CE1 3.73Å; F20-F84 HydrophobicContact CZ-CE1 3.73Å; F20-F84 AromaticContact CZ-CE2 3.81Å; F20-F84 HydrophobicContact CZ-CE2 3.81Å; F20-F84 AromaticContact CZ-CG 3.66Å; F20-F84 HydrophobicContact CZ-CG 3.66Å; F20-F84 AromaticContact CZ-CZ 3.83Å; F20-F84 HydrophobicContact CZ-CZ 3.83Å; F20-Y85 AromaticContact CD1-CE2 3.45Å; F20-Y85 HydrophobicContact CD1-CE2 3.45Å; F20-Y85 VanDerWaalsContact CD1-CE2 3.45Å; F20-Y85 AromaticContact CE1-CE2 3.78Å; F20-Y85 HydrophobicContact CE1-CE2 3.78Å; F20-Y85 HydrophobicContact CG-CE2 4.36Å; F20-P152 HydrophobicContact CE2-CB 4.11Å; F20-P152 HydrophobicContact CE2-CG 3.9Å; F20-F167 HydrophobicContact CD2-CD1 4.21Å; F20-F167 AromaticContact CD2-CE1 3.54Å; F20-F167 HydrophobicContact CD2-CE1 3.54Å; F20-F167 HydrophobicContact CD2-CZ 4.42Å; F20-F167 AromaticContact CE2-CE1 3.73Å; F20-F167 HydrophobicContact CE2-CE1 3.73Å; F20-I430 HydrophobicContact CD1-CD1 3.37Å; F20-I430 HydrophobicContact CE1-CD1 3.77Å; F20-I430 HydrophobicContact CG-CD1 4.49Å
21P94.3Very high68.5Low0 Ų061.2 Ų61.20%032%0.319CS..BIsolated β-bridgetrans-56.5131.1172-23.734.7000110.6A23 C24 F98 D148 Y149 I430P21-A23 PolarHBondContact O-N 3.16Å; P21-C24 HydrophobicContact CB-CB 4.26Å; P21-C24 WeakPolarHBondContact O-CA 3.46Å; P21-C24 WeakPolarHBondContact O-CB 3.38Å; P21-C24 PolarHBondContact O-N 3.14Å; P21-F98 HydrophobicContact CB-CB 4.03Å; P21-F98 HydrophobicContact CB-CD1 4.2Å; P21-F98 HydrophobicContact CB-CD2 3.62Å; P21-F98 HydrophobicContact CB-CE2 4.11Å; P21-F98 HydrophobicContact CB-CG 3.67Å; P21-F98 HydrophobicContact CG-CB 3.33Å; P21-F98 HydrophobicContact CG-CD1 4.15Å; P21-F98 HydrophobicContact CG-CD2 3.95Å; P21-F98 HydrophobicContact CG-CG 3.54Å; P21-D148 CarbonylContact C-O 3.49Å; P21-D148 VanDerWaalsContact CA-O 3.31Å; P21-D148 WeakPolarHBondContact CA-O 3.47Å; P21-Y149 HydrophobicContact CG-CE1 4.3Å; P21-I430 HydrophobicContact CG-CG2 3.65Å
22R94.4Very high71.7Confident69 Ų6957.2 Ų57.226%0.2631%0.308SS..G310 helixtrans-51.4-30179.7179.2176.7-59.5-92.16.5112.5T15 A17 F20 C24 S146 S147 D148 D169T15-R22 PolarHBondContact O-NH1 3.4Å; A17-R22 HydrophobicContact CB-CB 4.21Å; A17-R22 HydrophobicContact CB-CG 3.63Å; F20-R22 PolarHBondContact O-N 2.89Å; R22-C24 VanDerWaalsContact C-N 3.31Å; R22-C24 PolarHBondContact O-N 2.98Å; R22-S146 PolarHBondContact NH2-O 2.98Å; R22-S147 WeakPolarHBondContact CD-O 3.4Å; R22-S147 PolarHBondContact NE-O 3.25Å; R22-D148 PolarHBondContact N-O 3.25Å; R22-D169 IonicContact CZ-OD1 2.7Å; R22-D169 IonicContact NH1-OD1 3.2Å; R22-D169 PolarHBondContact NH1-OD1 3.01Å; R22-D169 IonicContact NH2-OD1 3.32Å; R22-D169 PolarHBondContact NH2-OD1 3.41Å
23A94.3Very high75Confident57 Ų5755.1 Ų55.147%0.47129%0.287SS..G310 helixtrans-78.7-1.1176.200000115.4P21 P37P21-A23 PolarHBondContact O-N 3.16Å; A23-P37 HydrophobicContact CB-CB 3.59Å; A23-P37 HydrophobicContact CB-CG 4.36Å
24C95.6Very high78.2Confident0 Ų050.4 Ų50.40%027%0.268CS..G310 helixtrans-116.8-3.9-175.5-66.30000115.1P21 R22 N29 C35 Y85P21-C24 HydrophobicContact CB-CB 4.26Å; P21-C24 WeakPolarHBondContact O-CA 3.46Å; P21-C24 WeakPolarHBondContact O-CB 3.38Å; P21-C24 PolarHBondContact O-N 3.14Å; R22-C24 VanDerWaalsContact C-N 3.31Å; R22-C24 PolarHBondContact O-N 2.98Å; C24-N29 WeakPolarHBondContact O-CB 3.26Å; C24-C35 HydrophobicContact CB-CB 3.6Å; C24-C35 WeakPolarHBondContact CB-SG 3.44Å; C24-C35 WeakPolarHBondContact SG-CA 3.28Å; C24-C35 WeakPolarHBondContact SG-CB 3.43Å; C24-C35 CovalentContact SG-SG 2.04Å; C24-C35 PolarHBondContact SG-SG 3.03Å; C24-Y85 HydrophobicContact CB-CE1 4.17Å; C24-Y85 WeakPolarHBondContact O-CE1 3.39Å; C24-Y85 PolarHBondContact O-OH 2.97Å
25V95.4Very high81.5Confident10 Ų1042.1 Ų42.16%0.06123%0.229CC..  trans-99.211.6-170.9-63.30000114.3A17 F20 F167A17-V25 HydrophobicContact CB-CG2 3.66Å; F20-V25 HydrophobicContact CB-CG1 3.43Å; F20-V25 VanDerWaalsContact CB-CG1 3.43Å; F20-V25 HydrophobicContact CD2-CG1 4.2Å; F20-V25 HydrophobicContact CG-CG1 4.08Å; V25-F167 HydrophobicContact CB-CD2 4.06Å; V25-F167 HydrophobicContact CB-CE1 4.44Å; V25-F167 HydrophobicContact CB-CE2 3.79Å; V25-F167 HydrophobicContact CB-CZ 3.99Å; V25-F167 HydrophobicContact CG1-CD1 4.42Å; V25-F167 HydrophobicContact CG1-CE1 4.08Å; V25-F167 HydrophobicContact CG1-CE2 4.3Å; V25-F167 HydrophobicContact CG1-CZ 4.02Å
26S95.3Very high84.8Confident52 Ų5237.9 Ų37.936%0.36420%0.203SC..SBendtrans-68.2152.3173.584.30000110.7K28 N29 L30S26-K28 PolarHBondContact O-N 2.97Å; S26-K28 VanDerWaalsContact O-N 3.13Å; S26-K28 PolarHBondContact OG-N 3.2Å; S26-N29 PolarHBondContact O-N 3.14Å; S26-N29 PolarHBondContact OG-N 3.31Å; S26-N29 PolarHBondContact OG-OD1 2.99Å; S26-L30 PolarHBondContact O-N 2.94Å; S26-L30 VanDerWaalsContact O-N 3.13Å
27S96.6Very high87.8Confident39 Ų3935 Ų3527%0.27318%0.183SC..Hα-helixtrans-50.5-38.51741800000111.6M31 G162 S163S27-M31 WeakPolarHBondContact O-CB 3.26Å; S27-M31 WeakPolarHBondContact O-CE 3.37Å; S27-M31 VanDerWaalsContact O-CG 3.26Å; S27-M31 WeakPolarHBondContact O-CG 3.48Å; S27-M31 PolarHBondContact O-N 3.27Å; S27-M31 WeakPolarHBondContact OG-CE 3.28Å; S27-G162 WeakPolarHBondContact CA-O 3.39Å; S27-S163 PolarHBondContact OG-O 2.89Å
28K96.1Very high90.9Very high126 Ų12638.5 Ų38.555%0.54821%0.205SC..Hα-helixtrans-58.5-57173.7-179.4-173.8172.7-1710111.8S26 L30 M31 E32S26-K28 PolarHBondContact O-N 2.97Å; S26-K28 VanDerWaalsContact O-N 3.13Å; S26-K28 PolarHBondContact OG-N 3.2Å; K28-L30 VanDerWaalsContact C-N 3.29Å; K28-L30 PolarHBondContact O-N 3.18Å; K28-M31 PolarHBondContact O-N 3.31Å; K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 WeakPolarHBondContact CE-OE2 3.5Å; K28-E32 HydrophobicContact CG-CG 4.33Å; K28-E32 WeakPolarHBondContact CG-OE1 3.46Å; K28-E32 IonicContact NZ-OE1 3.95Å; K28-E32 IonicContact NZ-OE2 3.89Å; K28-E32 WeakPolarHBondContact O-CB 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.27Å; K28-E32 PolarHBondContact O-N 2.63Å
29N95.8Very high93.8Very high30 Ų3040.6 Ų40.616%0.1621%0.213CC..Hα-helixtrans-59.7-38.5-175.5-72.998.5000113C24 S26 K33 E34C24-N29 WeakPolarHBondContact O-CB 3.26Å; S26-N29 PolarHBondContact O-N 3.14Å; S26-N29 PolarHBondContact OG-N 3.31Å; S26-N29 PolarHBondContact OG-OD1 2.99Å; N29-K33 WeakPolarHBondContact O-CA 3.32Å; N29-K33 PolarHBondContact O-N 3.25Å; N29-E34 PolarHBondContact ND2-O 2.81Å; N29-E34 PolarHBondContact O-N 2.03Å
30L96.4Very high95.5Very high0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-73.7-42.5-179.5-62.9167000111.5S26 K28 K33 F84 Y85 Y156 M159 P165 F167S26-L30 PolarHBondContact O-N 2.94Å; S26-L30 VanDerWaalsContact O-N 3.13Å; K28-L30 VanDerWaalsContact C-N 3.29Å; K28-L30 PolarHBondContact O-N 3.18Å; L30-K33 VanDerWaalsContact O-CG 3.3Å; L30-K33 WeakPolarHBondContact O-CG 2.99Å; L30-K33 PolarHBondContact O-N 2.81Å; L30-F84 HydrophobicContact CD2-CD1 4.3Å; L30-Y85 HydrophobicContact CD2-CE1 3.91Å; L30-Y85 WeakPolarHBondContact CD2-OH 3.42Å; L30-Y156 PolarHBondContact O-OH 3.38Å; L30-M159 HydrophobicContact CD1-SD 4.5Å; L30-P165 HydrophobicContact CD1-CG 4.26Å; L30-F167 HydrophobicContact CD1-CE2 3.71Å; L30-F167 HydrophobicContact CD1-CZ 3.75Å; L30-F167 HydrophobicContact CD2-CZ 4.42Å
31M96.3Very high95.8Very high108 Ų10847.7 Ų47.753%0.53227%0.273SS..Hα-helixtrans-68.2-36.2175-69.2-172-58.100112.8S27 K28 K33S27-M31 WeakPolarHBondContact O-CB 3.26Å; S27-M31 WeakPolarHBondContact O-CE 3.37Å; S27-M31 VanDerWaalsContact O-CG 3.26Å; S27-M31 WeakPolarHBondContact O-CG 3.48Å; S27-M31 PolarHBondContact O-N 3.27Å; S27-M31 WeakPolarHBondContact OG-CE 3.28Å; K28-M31 PolarHBondContact O-N 3.31Å; M31-K33 VanDerWaalsContact C-N 3.27Å
32E96.5Very high95.9Very high110 Ų11049 Ų4951%0.51428%0.28SS..Hα-helixtrans-77.6-12.9173.6-69.4177.3174.700112.9K28 E34K28-E32 WeakPolarHBondContact CE-OE1 3.35Å; K28-E32 WeakPolarHBondContact CE-OE2 3.5Å; K28-E32 HydrophobicContact CG-CG 4.33Å; K28-E32 WeakPolarHBondContact CG-OE1 3.46Å; K28-E32 IonicContact NZ-OE1 3.95Å; K28-E32 IonicContact NZ-OE2 3.89Å; K28-E32 WeakPolarHBondContact O-CB 3.26Å; K28-E32 WeakPolarHBondContact O-CG 3.27Å; K28-E32 PolarHBondContact O-N 2.63Å; E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 3.47Å
33K97.3Very high96Very high46 Ų4656 Ų5620%0.231%0.306CS..THydrogen-bonded Turntrans52.240.7-174.3-68.4-159163.2-161.60113.6N29 L30 M31 S82 V83 Y85 N86 R87 Y156N29-K33 WeakPolarHBondContact O-CA 3.32Å; N29-K33 PolarHBondContact O-N 3.25Å; L30-K33 VanDerWaalsContact O-CG 3.3Å; L30-K33 WeakPolarHBondContact O-CG 2.99Å; L30-K33 PolarHBondContact O-N 2.81Å; M31-K33 VanDerWaalsContact C-N 3.27Å; K33-S82 PolarHBondContact NZ-O 3.18Å; K33-V83 WeakPolarHBondContact CE-O 3.02Å; K33-V83 VanDerWaalsContact NZ-C 3.35Å; K33-V83 PolarHBondContact NZ-O 2.98Å; K33-Y85 CarbonylContact O-C 3.3Å; K33-Y85 WeakPolarHBondContact O-CA 3.25Å; K33-N86 HydrophobicContact CB-CB 4.2Å; K33-N86 PolarHBondContact O-N 3.33Å; K33-R87 PolarHBondContact O-N 3.07Å; K33-R87 VanDerWaalsContact O-N 3.08Å; K33-Y156 WeakPolarHBondContact CE-OH 3.34Å
34E97.5Very high96.1Very high57 Ų5753.7 Ų53.727%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-126.4120.5178.3-173171.8104.400112.8N29 E32 C36 C55 R87N29-E34 PolarHBondContact ND2-O 2.81Å; N29-E34 PolarHBondContact O-N 2.03Å; E32-E34 VanDerWaalsContact C-N 3.27Å; E32-E34 PolarHBondContact O-N 3.47Å; E34-C36 HydrophobicContact CG-CB 3.88Å; E34-C55 PolarHBondContact OE2-SG 3.4Å; E34-R87 WeakPolarHBondContact CA-O 3.43Å; E34-R87 HydrophobicContact CB-CB 4.18Å; E34-R87 HydrophobicContact CG-CB 3.89Å; E34-R87 IonicContact OE2-CZ 2.69Å; E34-R87 IonicContact OE2-NE 3.39Å; E34-R87 PolarHBondContact OE2-NE 3.46Å; E34-R87 IonicContact OE2-NH2 2.67Å; E34-R87 PolarHBondContact OE2-NH2 3.08Å; E34-R87 VanDerWaalsContact OE2-NH2 3.08Å
35C97.1Very high96.2Very high1 Ų156.5 Ų56.51%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-114.675.9170.8179.20000110.3C24 P37 Y85 R87 T88C24-C35 HydrophobicContact CB-CB 3.6Å; C24-C35 WeakPolarHBondContact CB-SG 3.44Å; C24-C35 WeakPolarHBondContact SG-CA 3.28Å; C24-C35 WeakPolarHBondContact SG-CB 3.43Å; C24-C35 CovalentContact SG-SG 2.04Å; C24-C35 PolarHBondContact SG-SG 3.03Å; C35-P37 VanDerWaalsContact C-CD 3.41Å; C35-P37 WeakPolarHBondContact O-CD 3.47Å; C35-Y85 HydrophobicContact CB-CD1 3.54Å; C35-Y85 HydrophobicContact CB-CD2 4.15Å; C35-Y85 HydrophobicContact CB-CE1 3.71Å; C35-Y85 HydrophobicContact CB-CE2 4.32Å; C35-Y85 HydrophobicContact CB-CG 3.78Å; C35-R87 PolarHBondContact N-O 2.99Å; C35-T88 HydrophobicContact CB-CG2 4.18Å; C35-T88 WeakPolarHBondContact O-CA 3.23Å
36C97.5Very high96.3Very high10 Ų1056 Ų567%0.06830%0.302CS..  trans-12562.6178.6-67.70000112.3E34 C55E34-C36 HydrophobicContact CG-CB 3.88Å; C36-C55 HydrophobicContact CB-CB 3.49Å; C36-C55 VanDerWaalsContact CB-CB 3.49Å; C36-C55 WeakPolarHBondContact CB-SG 3.47Å; C36-C55 WeakPolarHBondContact SG-CA 2.98Å; C36-C55 WeakPolarHBondContact SG-CB 2.91Å; C36-C55 CovalentContact SG-SG 2.01Å; C36-C55 PolarHBondContact SG-SG 2.89Å
37P96.8Very high96.4Very high7 Ų753.5 Ų53.55%0.04529%0.285CS..PPolyproline II helixtrans-69.3155.7-173.429.7-33.9000111.9A23 C35 C46 F98 N99A23-P37 HydrophobicContact CB-CB 3.59Å; A23-P37 HydrophobicContact CB-CG 4.36Å; C35-P37 VanDerWaalsContact C-CD 3.41Å; C35-P37 WeakPolarHBondContact O-CD 3.47Å; P37-C46 PolarHBondContact O-N 2.03Å; P37-C46 VanDerWaalsContact O-N 3.11Å; P37-F98 HydrophobicContact CG-CD2 3.64Å; P37-F98 HydrophobicContact CG-CE2 4.15Å; P37-N99 HydrophobicContact CG-CB 4.22Å
38P96.6Very high96.4Very high76 Ų7657.1 Ų57.149%0.49430%0.297SS..BIsolated β-bridgetrans-67.7142.5179.727.9-34.4000111.8R43 S44P38-R43 WeakPolarHBondContact CB-O 3.41Å; P38-S44 VanDerWaalsContact CA-O 3.28Å; P38-S44 WeakPolarHBondContact CA-O 3.42Å
39W95.7Very high96.5Very high45 Ų4557.9 Ų57.917%0.1731%0.307CS..PPolyproline II helixtrans-75.9140.6166.1179.254000110G41 D42 R43 S44 S50 R52 G101W39-G41 VanDerWaalsContact C-N 3.3Å; W39-G41 PolarHBondContact O-N 2.95Å; W39-D42 HydrophobicContact CE3-CB 4.17Å; W39-D42 HydrophobicContact CZ3-CB 4.3Å; W39-R43 WeakPolarHBondContact O-CA 3.04Å; W39-R43 PolarHBondContact O-N 3.26Å; W39-S44 PolarHBondContact N-O 3.08Å; W39-S50 WeakPolarHBondContact CZ3-OG 2.99Å; W39-R52 VanDerWaalsContact CZ2-CZ 3.42Å; W39-R52 VanDerWaalsContact CZ2-NE 3.3Å; W39-G101 VanDerWaalsContact NE1-CA 3.32Å
40S92.9Very high96.6Very high102 Ų10259.4 Ų59.471%0.71332%0.319SS*.THydrogen-bonded Turntrans-65.4-29-174.649.40000114.1
41G92.9Very high96.6Very high56 Ų5661.6 Ų61.658%0.57734%0.342SS*.THydrogen-bonded Turntrans-75.2-33.6-175.100000115.4W39W39-G41 VanDerWaalsContact C-N 3.3Å; W39-G41 PolarHBondContact O-N 2.95Å
42D95.9Very high96.6Very high29 Ų2957.2 Ų57.216%0.15532%0.319CS..THydrogen-bonded Turntrans-121.1-9177.66822.7000114.6W39 S44 G47 L49 S50W39-D42 HydrophobicContact CE3-CB 4.17Å; W39-D42 HydrophobicContact CZ3-CB 4.3Å; D42-S44 PolarHBondContact O-N 3.27Å; D42-S44 WeakPolarHBondContact OD1-CA 3.47Å; D42-S44 WeakPolarHBondContact OD1-CB 3.13Å; D42-S44 PolarHBondContact OD1-N 2.88Å; D42-S44 PolarHBondContact OD1-OG 2.99Å; D42-S44 PolarHBondContact OD2-OG 2.91Å; D42-G47 WeakPolarHBondContact OD2-CA 3Å; D42-L49 HydrophobicContact CB-CB 4.22Å; D42-S50 WeakPolarHBondContact CB-OG 3.49Å; D42-S50 VanDerWaalsContact OD2-CB 3.26Å; D42-S50 WeakPolarHBondContact OD2-CB 3.3Å; D42-S50 PolarHBondContact OD2-N 2.92Å; D42-S50 PolarHBondContact OD2-OG 2.74Å
43R96.6Very high96.7Very high214 Ų21452.1 Ų52.181%0.80830%0.297SS*.  trans62.614.2-177.2-55.5174.6-67.1176.7-1.1114.9P38 W39P38-R43 WeakPolarHBondContact CB-O 3.41Å; W39-R43 WeakPolarHBondContact O-CA 3.04Å; W39-R43 PolarHBondContact O-N 3.26Å
44S97.4Very high96.7Very high10 Ų1051.6 Ų51.67%0.0730%0.299CS..SBendtrans-91.6148.4173.571.80000111.6P38 W39 D42 C46 G47 Q48 L49P38-S44 VanDerWaalsContact CA-O 3.28Å; P38-S44 WeakPolarHBondContact CA-O 3.42Å; W39-S44 PolarHBondContact N-O 3.08Å; D42-S44 PolarHBondContact O-N 3.27Å; D42-S44 WeakPolarHBondContact OD1-CA 3.47Å; D42-S44 WeakPolarHBondContact OD1-CB 3.13Å; D42-S44 PolarHBondContact OD1-N 2.88Å; D42-S44 PolarHBondContact OD1-OG 2.99Å; D42-S44 PolarHBondContact OD2-OG 2.91Å; S44-C46 PolarHBondContact O-N 2.94Å; S44-G47 PolarHBondContact O-N 3.24Å; S44-G47 VanDerWaalsContact O-N 3.14Å; S44-Q48 PolarHBondContact OG-N 3.11Å; S44-L49 PolarHBondContact OG-N 2.7Å
45P97.6Very high96.7Very high58 Ų5849.9 Ų49.938%0.37729%0.293SS..BIsolated β-bridgetrans-49.9127.3173.1-27.936.3000110.9G47 Q48P45-G47 PolarHBondContact O-N 3.24Å; P45-Q48 WeakPolarHBondContact O-CB 3Å; P45-Q48 PolarHBondContact O-N 2.79Å; P45-Q48 VanDerWaalsContact O-N 3.16Å
46C97.6Very high96.7Very high0 Ų054.1 Ų54.10%031%0.313CS..THydrogen-bonded Turntrans58.318.4177-42.80000115.7P37 S44 Q48 G53 C89 N99 C100P37-C46 PolarHBondContact O-N 2.03Å; P37-C46 VanDerWaalsContact O-N 3.11Å; S44-C46 PolarHBondContact O-N 2.94Å; C46-Q48 VanDerWaalsContact C-N 3.29Å; C46-Q48 PolarHBondContact O-N 2.71Å; C46-G53 PolarHBondContact O-N 3.13Å; C46-C89 WeakPolarHBondContact CA-SG 3.4Å; C46-C89 HydrophobicContact CB-CB 3.6Å; C46-C89 WeakPolarHBondContact CB-SG 3.23Å; C46-C89 WeakPolarHBondContact SG-CA 3.48Å; C46-C89 WeakPolarHBondContact SG-CB 3.43Å; C46-C89 CovalentContact SG-SG 2.03Å; C46-C89 PolarHBondContact SG-SG 2.72Å; C46-N99 CarbonylContact C-O 3.54Å; C46-N99 VanDerWaalsContact C-O 3.3Å; C46-N99 WeakPolarHBondContact CA-O 3.4Å; C46-C100 WeakPolarHBondContact O-CB 3.18Å
47G97.3Very high96.7Very high0 Ų058.7 Ų58.70%034%0.336CS..THydrogen-bonded Turntrans63.931.7-176.200000113.8D42 S44 P45 L49 S50 G51 R52D42-G47 WeakPolarHBondContact OD2-CA 3Å; S44-G47 PolarHBondContact O-N 3.24Å; S44-G47 VanDerWaalsContact O-N 3.14Å; P45-G47 PolarHBondContact O-N 3.24Å; G47-L49 VanDerWaalsContact C-N 3.33Å; G47-L49 PolarHBondContact O-N 3.38Å; G47-S50 CarbonylContact O-C 3.29Å; G47-S50 PolarHBondContact O-N 2.99Å; G47-S50 VanDerWaalsContact O-N 3.14Å; G47-G51 PolarHBondContact O-N 3.39Å; G47-R52 PolarHBondContact O-N 3.04Å
48Q97.8Very high96.6Very high114 Ų11459.5 Ų59.553%0.53334%0.34SS..G310 helixtrans-58.2-37.7-177.5-177179.1-4.800113.7S44 P45 C46 S50 G51 G53S44-Q48 PolarHBondContact OG-N 3.11Å; P45-Q48 WeakPolarHBondContact O-CB 3Å; P45-Q48 PolarHBondContact O-N 2.79Å; P45-Q48 VanDerWaalsContact O-N 3.16Å; C46-Q48 VanDerWaalsContact C-N 3.29Å; C46-Q48 PolarHBondContact O-N 2.71Å; Q48-S50 PolarHBondContact O-N 2.65Å; Q48-G51 PolarHBondContact O-N 3.21Å; Q48-G51 VanDerWaalsContact O-N 3.11Å; Q48-G53 VanDerWaalsContact CA-O 3.26Å; Q48-G53 WeakPolarHBondContact CA-O 3.44Å
49L97.5Very high96.5Very high143 Ų14362 Ų6275%0.74935%0.348SS*.G310 helixtrans-66.9-27.5178-70.4178.9000112.5D42 S44 G47D42-L49 HydrophobicContact CB-CB 4.22Å; S44-L49 PolarHBondContact OG-N 2.7Å; G47-L49 VanDerWaalsContact C-N 3.33Å; G47-L49 PolarHBondContact O-N 3.38Å
50S96.7Very high96.4Very high61 Ų6162.4 Ų62.443%0.42735%0.354SS..G310 helixtrans-93.26.3173.8-51.50000113.7W39 D42 G47 Q48 R52W39-S50 WeakPolarHBondContact CZ3-OG 2.99Å; D42-S50 WeakPolarHBondContact CB-OG 3.49Å; D42-S50 VanDerWaalsContact OD2-CB 3.26Å; D42-S50 WeakPolarHBondContact OD2-CB 3.3Å; D42-S50 PolarHBondContact OD2-N 2.92Å; D42-S50 PolarHBondContact OD2-OG 2.74Å; G47-S50 CarbonylContact O-C 3.29Å; G47-S50 PolarHBondContact O-N 2.99Å; G47-S50 VanDerWaalsContact O-N 3.14Å; Q48-S50 PolarHBondContact O-N 2.65Å; S50-R52 PolarHBondContact O-N 2.92Å
51G96.8Very high96.4Very high46 Ų4659 Ų5947%0.47433%0.33SS..THydrogen-bonded Turntrans68.913.7-178.600000115.4G47 Q48 G53 S92G47-G51 PolarHBondContact O-N 3.39Å; Q48-G51 PolarHBondContact O-N 3.21Å; Q48-G51 VanDerWaalsContact O-N 3.11Å; G51-G53 VanDerWaalsContact C-N 3.33Å; G51-G53 PolarHBondContact O-N 3.45Å; G51-S92 WeakPolarHBondContact O-CB 3.49Å; G51-S92 PolarHBondContact O-OG 3.25Å
52R97.6Very high96.5Very high16 Ų1664.1 Ų64.16%0.0634%0.344CS..SBendtrans-71.5-25.9-176.3-70.9175164.6-93.1-7114W39 G47 S50 C91 S92 F95 C100 G101 P110W39-R52 VanDerWaalsContact CZ2-CZ 3.42Å; W39-R52 VanDerWaalsContact CZ2-NE 3.3Å; G47-R52 PolarHBondContact O-N 3.04Å; S50-R52 PolarHBondContact O-N 2.92Å; R52-C91 WeakPolarHBondContact O-CA 3.3Å; R52-S92 PolarHBondContact O-N 2.89Å; R52-F95 HydrophobicContact CB-CD2 4.03Å; R52-F95 HydrophobicContact CB-CE2 4.43Å; R52-F95 HydrophobicContact CB-CG 4.12Å; R52-F95 HydrophobicContact CG-CD1 4.09Å; R52-F95 HydrophobicContact CG-CD2 3.98Å; R52-F95 HydrophobicContact CG-CE1 4.08Å; R52-F95 HydrophobicContact CG-CE2 3.95Å; R52-F95 HydrophobicContact CG-CG 4.06Å; R52-F95 HydrophobicContact CG-CZ 4.01Å; R52-F95 VanDerWaalsContact NH1-CE1 3.34Å; R52-C100 HydrophobicContact CB-CB 3.87Å; R52-C100 WeakPolarHBondContact CD-O 3.48Å; R52-C100 PolarHBondContact NH1-O 3.02Å; R52-C100 VanDerWaalsContact NH1-O 3.08Å; R52-C100 WeakPolarHBondContact O-CB 3.47Å; R52-G101 PolarHBondContact NH1-O 2.78Å; R52-P110 PolarHBondContact NH2-O 2.92Å
53G97.5Very high96.5Very high4 Ų463.9 Ų63.94%0.04135%0.346CS..EExtended strand (participates in β ladder)trans173.2-170.9-178.400000111.7C46 Q48 G51 Q90C46-G53 PolarHBondContact O-N 3.13Å; Q48-G53 VanDerWaalsContact CA-O 3.26Å; Q48-G53 WeakPolarHBondContact CA-O 3.44Å; G51-G53 VanDerWaalsContact C-N 3.33Å; G51-G53 PolarHBondContact O-N 3.45Å; G53-Q90 CarbonylContact C-O 3.58Å; G53-Q90 WeakPolarHBondContact CA-O 3.32Å
54S97.6Very high96.5Very high34 Ų3457.2 Ų57.224%0.23833%0.331CS..EExtended strand (participates in β ladder)trans-154.4161.317360.60000111.7Q56 Q90S54-Q56 PolarHBondContact O-N 2.99Å; S54-Q56 PolarHBondContact OG-NE2 2.79Å; S54-Q90 PolarHBondContact N-O 3.43Å; S54-Q90 PolarHBondContact O-N 3Å
55C97.7Very high96.4Very high22 Ų2260 Ų6015%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-81.4109.9179.1-174.40000111.5E34 C36 R87E34-C55 PolarHBondContact OE2-SG 3.4Å; C36-C55 HydrophobicContact CB-CB 3.49Å; C36-C55 VanDerWaalsContact CB-CB 3.49Å; C36-C55 WeakPolarHBondContact CB-SG 3.47Å; C36-C55 WeakPolarHBondContact SG-CA 2.98Å; C36-C55 WeakPolarHBondContact SG-CB 2.91Å; C36-C55 CovalentContact SG-SG 2.01Å; C36-C55 PolarHBondContact SG-SG 2.89Å; C55-R87 PolarHBondContact O-NH1 2.96Å; C55-R87 PolarHBondContact O-NH2 2.69Å; C55-R87 PolarHBondContact SG-NH2 2.82Å
56Q97.3Very high96.2Very high90 Ų9057.6 Ų57.642%0.42133%0.33SS..EExtended strand (participates in β ladder)trans-124.3161-171.3-60.5-171.634.600112.2S54 R87 T88 Q90S54-Q56 PolarHBondContact O-N 2.99Å; S54-Q56 PolarHBondContact OG-NE2 2.79Å; Q56-R87 VanDerWaalsContact O-CA 3.23Å; Q56-R87 WeakPolarHBondContact O-CA 3.36Å; Q56-T88 PolarHBondContact N-O 2.83Å; Q56-T88 PolarHBondContact O-N 3.06Å; Q56-Q90 HydrophobicContact CB-CB 4.07Å; Q56-Q90 HydrophobicContact CG-CB 3.97Å
57N97.4Very high96Very high105 Ų10563.2 Ų63.256%0.56137%0.366SS*.EExtended strand (participates in β ladder)trans-71.4139.7172.4-64.1-0000109.6N86 R87N57-N86 WeakPolarHBondContact CA-O 3.28Å; N57-R87 WeakPolarHBondContact OD1-CD 3.46Å; N57-R87 VanDerWaalsContact OD1-CG 3.27Å; N57-R87 WeakPolarHBondContact OD1-CG 3.29Å; N57-R87 PolarHBondContact OD1-NH1 3.39Å
58I94.7Very high95.7Very high25 Ų2565 Ų6513%0.12838%0.375CS..  trans-74.9133.5176.7-62.7160.9000109.4L60 P81 Y85 N86 T88 Y425 L432I58-L60 HydrophobicContact CG2-CD2 4.06Å; I58-P81 HydrophobicContact CD1-CG 3.53Å; I58-Y85 WeakPolarHBondContact CD1-O 3.35Å; I58-N86 PolarHBondContact N-O 3.09Å; I58-T88 HydrophobicContact CD1-CG2 3.88Å; I58-T88 HydrophobicContact CG1-CG2 4.4Å; I58-T88 VanDerWaalsContact CG1-OG1 3.27Å; I58-T88 WeakPolarHBondContact CG1-OG1 3.3Å; I58-Y425 HydrophobicContact CG2-CD2 4.24Å; I58-Y425 HydrophobicContact CG2-CE2 3.55Å; I58-L432 HydrophobicContact CB-CD1 4.48Å; I58-L432 HydrophobicContact CD1-CD1 3.91Å; I58-L432 HydrophobicContact CG1-CD1 3.87Å; I58-L432 HydrophobicContact CG2-CD1 3.77Å
59L93.8Very high95.6Very high127 Ų12760.5 Ų60.567%0.66535%0.353SS*.  trans-105.394.1176.8-60.5-178.8000109.8R434L59-R434 PolarHBondContact O-NH2 3.2Å
60L93.9Very high95.4Very high55 Ų5557.9 Ų57.929%0.28835%0.345SS..  trans-67.4149.4171.4-60.6-177.9000110.8I58 W80 Y425I58-L60 HydrophobicContact CG2-CD2 4.06Å; L60-W80 WeakPolarHBondContact CD2-O 3.34Å; L60-Y425 HydrophobicContact CD2-CD2 3.95Å; L60-Y425 HydrophobicContact CD2-CE2 4.19Å
61S93.6Very high95.3Very high30 Ų3058.1 Ų58.121%0.2134%0.338CS..  trans-76133.3171.1-176.90000111.3A63 E423S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 WeakPolarHBondContact OG-CB 3.22Å; S61-A63 PolarHBondContact OG-N 2.76Å; S61-E423 WeakPolarHBondContact CB-O 3.46Å
62N94Very high95Very high164 Ų16461.9 Ų61.988%0.87735%0.352SS*.  trans-91.49.1172.7-62.5-30.4000112.7
63A96.4Very high94.7Very high23 Ų2364.5 Ų64.519%0.1939%0.385CS..PPolyproline II helixtrans-63.1137.6175.400000110.6S61 E413 A414S61-A63 VanDerWaalsContact C-N 3.33Å; S61-A63 WeakPolarHBondContact OG-CB 3.22Å; S61-A63 PolarHBondContact OG-N 2.76Å; A63-E413 WeakPolarHBondContact CB-O 3.41Å; A63-A414 HydrophobicContact CB-CB 4.16Å
64P96.2Very high94.5Very high75 Ų7567 Ų6749%0.48740%0.399SS..PPolyproline II helixtrans-62151.8-178.124.5-32.7000112A414 N415 N421P64-A414 HydrophobicContact CG-CB 4.09Å; P64-N415 WeakPolarHBondContact CG-OD1 3.18Å; P64-N415 PolarHBondContact O-N 2.96Å; P64-N421 PolarHBondContact O-ND2 2.73Å
65L94.9Very high94.4Very high68 Ų6866.1 Ų66.136%0.35639%0.392SS..PPolyproline II helixtrans-101.2157.5-179.9-57.2178.2000110.6I418L65-I418 HydrophobicContact CD1-CB 4.41Å; L65-I418 HydrophobicContact CD1-CD1 4.04Å; L65-I418 HydrophobicContact CD1-CG1 3.93Å
66G93.9Very high94.3Very high7 Ų766.1 Ų66.17%0.07239%0.39CS..PPolyproline II helixtrans-65.6156.2171.200000112.7Q68 N415 A416G66-Q68 PolarHBondContact O-N 3.46Å; G66-N415 VanDerWaalsContact CA-O 3.23Å; G66-N415 WeakPolarHBondContact CA-O 3.37Å; G66-N415 PolarHBondContact N-O 2.83Å; G66-A416 PolarHBondContact N-O 3.38Å
67P93.3Very high94.2Very high118 Ų11861.9 Ų61.977%0.76637%0.37SS*.THydrogen-bonded Turntrans-75.1-2.7-17332.6-38000114.8F69P67-F69 VanDerWaalsContact C-N 3.28Å; P67-F69 PolarHBondContact O-N 3.01Å
68Q92.2Very high94Very high39 Ų3957.6 Ų57.618%0.18235%0.347CS..THydrogen-bonded Turntrans-62.6-29.6-172.5-67.183.7-6.800113.4G66 W195 D333 P417G66-Q68 PolarHBondContact O-N 3.46Å; Q68-W195 WeakPolarHBondContact O-CZ2 3.01Å; Q68-D333 PolarHBondContact NE2-OD2 3.01Å; Q68-P417 HydrophobicContact CG-CG 4.43Å
69F94.4Very high93.8Very high18 Ų1858.3 Ų58.38%0.07935%0.354CS..  trans-112.4103.5176.5-170.8-108.3000111.2P67 F71 V74 D75 E78 A187 W195 I198 I418P67-F69 VanDerWaalsContact C-N 3.28Å; P67-F69 PolarHBondContact O-N 3.01Å; F69-F71 HydrophobicContact CD1-CB 4.44Å; F69-F71 HydrophobicContact CD2-CD2 4.05Å; F69-F71 HydrophobicContact CE1-CB 3.8Å; F69-F71 HydrophobicContact CE1-CD2 4.47Å; F69-F71 HydrophobicContact CE2-CB 4.42Å; F69-F71 AromaticContact CE2-CD2 3.68Å; F69-F71 HydrophobicContact CE2-CD2 3.68Å; F69-F71 HydrophobicContact CE2-CE2 4.5Å; F69-F71 HydrophobicContact CZ-CB 3.81Å; F69-F71 AromaticContact CZ-CD2 3.94Å; F69-F71 HydrophobicContact CZ-CD2 3.94Å; F69-F71 HydrophobicContact CZ-CG 4.33Å; F69-F71 PolarHBondContact O-N 3.24Å; F69-V74 HydrophobicContact CE1-CG2 4.3Å; F69-V74 HydrophobicContact CZ-CG2 3.73Å; F69-D75 HydrophobicContact CZ-CB 4.45Å; F69-E78 HydrophobicContact CE1-CG 3.87Å; F69-A187 HydrophobicContact CE2-CB 4.03Å; F69-A187 HydrophobicContact CZ-CB 4.36Å; F69-W195 AromaticContact CD2-CD1 3.77Å; F69-W195 AromaticContact CD2-NE1 3.94Å; F69-W195 AromaticContact CE2-CD1 3.94Å; F69-W195 HydrophobicContact CE2-CG 4.42Å; F69-I198 HydrophobicContact CD2-CB 4.34Å; F69-I198 HydrophobicContact CD2-CD1 3.65Å; F69-I198 HydrophobicContact CD2-CG1 4.42Å; F69-I198 HydrophobicContact CE2-CD1 3.62Å; F69-I198 HydrophobicContact CG-CD1 4.17Å; F69-I198 HydrophobicContact CZ-CD1 4.13Å; F69-I418 HydrophobicContact CB-CB 4.44Å; F69-I418 HydrophobicContact CB-CG2 4.07Å; F69-I418 HydrophobicContact CD1-CD1 3.78Å; F69-I418 HydrophobicContact CE1-CD1 4.32Å; F69-I418 HydrophobicContact CG-CD1 4.47Å; F69-I418 HydrophobicContact CG-CG2 4.44Å
70P93.7Very high93.9Very high88 Ų8852.3 Ų52.357%0.57132%0.323SS*.  trans-87.95.8-170.835-37.4000114.9W195P70-W195 HydrophobicContact CG-CH2 4.31Å; P70-W195 HydrophobicContact CG-CZ2 4.44Å
71F93.7Very high94Very high66 Ų6649.7 Ų49.729%0.28931%0.309SS..  trans-103.5170.9-175-51.3-85.9000112.5F69 V74 L189 W195F69-F71 HydrophobicContact CD1-CB 4.44Å; F69-F71 HydrophobicContact CD2-CD2 4.05Å; F69-F71 HydrophobicContact CE1-CB 3.8Å; F69-F71 HydrophobicContact CE1-CD2 4.47Å; F69-F71 HydrophobicContact CE2-CB 4.42Å; F69-F71 AromaticContact CE2-CD2 3.68Å; F69-F71 HydrophobicContact CE2-CD2 3.68Å; F69-F71 HydrophobicContact CE2-CE2 4.5Å; F69-F71 HydrophobicContact CZ-CB 3.81Å; F69-F71 AromaticContact CZ-CD2 3.94Å; F69-F71 HydrophobicContact CZ-CD2 3.94Å; F69-F71 HydrophobicContact CZ-CG 4.33Å; F69-F71 PolarHBondContact O-N 3.24Å; F71-V74 HydrophobicContact CB-CG1 4.24Å; F71-V74 HydrophobicContact CB-CG2 3.49Å; F71-V74 VanDerWaalsContact CB-CG2 3.49Å; F71-V74 HydrophobicContact CG-CG2 4.14Å; F71-L189 HydrophobicContact CD1-CD2 4.39Å; F71-L189 HydrophobicContact CD2-CD2 4.34Å; F71-L189 HydrophobicContact CE1-CD1 4.01Å; F71-L189 HydrophobicContact CE1-CD2 4.44Å; F71-L189 HydrophobicContact CE2-CD1 4.33Å; F71-L189 HydrophobicContact CE2-CD2 4.4Å; F71-L189 HydrophobicContact CG-CD2 4.34Å; F71-L189 HydrophobicContact CZ-CD1 3.79Å; F71-L189 HydrophobicContact CZ-CD2 4.45Å; F71-W195 HydrophobicContact CE2-CB 4.07Å; F71-W195 AromaticContact CE2-CD2 3.62Å; F71-W195 HydrophobicContact CE2-CD2 3.62Å; F71-W195 AromaticContact CE2-CE3 3.59Å; F71-W195 HydrophobicContact CE2-CE3 3.59Å; F71-W195 AromaticContact CE2-CG 3.85Å; F71-W195 HydrophobicContact CE2-CG 3.85Å; F71-W195 HydrophobicContact CE2-CZ3 4.21Å; F71-W195 HydrophobicContact CZ-CD2 4.39Å; F71-W195 AromaticContact CZ-CE3 3.91Å; F71-W195 HydrophobicContact CZ-CE3 3.91Å; F71-W195 HydrophobicContact CZ-CZ3 4.39Å
72T92Very high94.1Very high125 Ų12549.6 Ų49.677%0.76731%0.308SS*.SBendtrans-154.5132175.2-58.30000110.1V74 E78T72-V74 VanDerWaalsContact C-N 3.35Å; T72-E78 WeakPolarHBondContact CA-OE2 3.49Å
73G91.2Very high94.1Very high72 Ų7243.3 Ų43.374%0.74228%0.276SS*.SBendtrans72.523.2-179.300000114.6E78G73-E78 VanDerWaalsContact N-CD 3.27Å; G73-E78 PolarHBondContact N-OE1 3.41Å; G73-E78 PolarHBondContact N-OE2 3.43Å
74V92.4Very high94.1Very high57 Ų5742.2 Ų42.235%0.34527%0.267SS..SBendtrans-107.5-26.2178.8-570000112.8F69 F71 T72 E78 L189F69-V74 HydrophobicContact CE1-CG2 4.3Å; F69-V74 HydrophobicContact CZ-CG2 3.73Å; F71-V74 HydrophobicContact CB-CG1 4.24Å; F71-V74 HydrophobicContact CB-CG2 3.49Å; F71-V74 VanDerWaalsContact CB-CG2 3.49Å; F71-V74 HydrophobicContact CG-CG2 4.14Å; T72-V74 VanDerWaalsContact C-N 3.35Å; V74-E78 PolarHBondContact N-OE1 3.39Å; V74-L189 HydrophobicContact CB-CD2 4.12Å; V74-L189 HydrophobicContact CG2-CD2 3.73Å
75D94.9Very high94.1Very high14 Ų1438.7 Ų38.78%0.07524%0.243CC..  trans-121.8132.1-178.6-167.5-62.5000112.4F69 R77 E78 A187F69-D75 HydrophobicContact CZ-CB 4.45Å; D75-R77 PolarHBondContact O-N 2.04Å; D75-R77 WeakPolarHBondContact OD1-CB 3.22Å; D75-R77 VanDerWaalsContact OD1-CG 3.22Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 IonicContact OD1-CZ 2.71Å; D75-R77 PolarHBondContact OD1-N 3.4Å; D75-R77 IonicContact OD1-NE 3.2Å; D75-R77 PolarHBondContact OD1-NE 2.83Å; D75-R77 IonicContact OD1-NH2 3.57Å; D75-R77 IonicContact OD2-CZ 3.22Å; D75-R77 IonicContact OD2-NE 2.71Å; D75-R77 PolarHBondContact OD2-NE 2.67Å; D75-R77 IonicContact OD2-NH2 2.87Å; D75-R77 PolarHBondContact OD2-NH2 3.04Å; D75-E78 HydrophobicContact CB-CG 4.14Å; D75-E78 PolarHBondContact N-OE1 3.45Å; D75-E78 WeakPolarHBondContact O-CG 3.44Å; D75-E78 PolarHBondContact O-N 2.94Å; D75-A187 HydrophobicContact CB-CB 4.18Å; D75-A187 WeakPolarHBondContact OD2-CA 3.46Å; D75-A187 VanDerWaalsContact OD2-CB 3.26Å; D75-A187 WeakPolarHBondContact OD2-CB 3.29Å
76D95.6Very high94.2Very high22 Ų2239.5 Ų39.512%0.11825%0.248CC..THydrogen-bonded Turntrans-57.3-19.9-178.7-72.3-18.6000113.5V83 F84 T155 Y156D76-V83 HydrophobicContact CB-CG1 4.23Å; D76-V83 WeakPolarHBondContact OD1-CG1 3.04Å; D76-F84 HydrophobicContact CB-CE2 3.91Å; D76-F84 HydrophobicContact CB-CZ 4.05Å; D76-T155 WeakPolarHBondContact OD2-CA 3.43Å; D76-T155 WeakPolarHBondContact OD2-CB 3.49Å; D76-Y156 WeakPolarHBondContact OD1-CB 3.44Å; D76-Y156 PolarHBondContact OD1-N 2.94Å; D76-Y156 PolarHBondContact OD2-N 3.41Å
77R96.1Very high94.4Very high1 Ų142.7 Ų42.70%0.00426%0.258CS..THydrogen-bonded Turntrans-90.7-19.7-173.8-57.5171.7-71.9172.30.8114D75 S79 W80 Y182 M185 F200 V427D75-R77 PolarHBondContact O-N 2.04Å; D75-R77 WeakPolarHBondContact OD1-CB 3.22Å; D75-R77 VanDerWaalsContact OD1-CG 3.22Å; D75-R77 WeakPolarHBondContact OD1-CG 3.29Å; D75-R77 IonicContact OD1-CZ 2.71Å; D75-R77 PolarHBondContact OD1-N 3.4Å; D75-R77 IonicContact OD1-NE 3.2Å; D75-R77 PolarHBondContact OD1-NE 2.83Å; D75-R77 IonicContact OD1-NH2 3.57Å; D75-R77 IonicContact OD2-CZ 3.22Å; D75-R77 IonicContact OD2-NE 2.71Å; D75-R77 PolarHBondContact OD2-NE 2.67Å; D75-R77 IonicContact OD2-NH2 2.87Å; D75-R77 PolarHBondContact OD2-NH2 3.04Å; R77-S79 PolarHBondContact O-N 2.89Å; R77-W80 PolarHBondContact O-N 2.91Å; R77-Y182 WeakPolarHBondContact CD-O 3.36Å; R77-Y182 HydrophobicContact CG-CD1 4.34Å; R77-Y182 HydrophobicContact CG-CE1 3.57Å; R77-Y182 PolarHBondContact NH1-O 3.34Å; R77-M185 VanDerWaalsContact CZ-O 3.31Å; R77-M185 VanDerWaalsContact NH1-CG 3.3Å; R77-M185 PolarHBondContact NH1-O 3.46Å; R77-M185 PolarHBondContact NH2-O 3Å; R77-F200 HydrophobicContact CB-CD1 4.32Å; R77-F200 HydrophobicContact CB-CD2 4.37Å; R77-F200 HydrophobicContact CB-CE1 3.66Å; R77-F200 HydrophobicContact CB-CE2 3.72Å; R77-F200 HydrophobicContact CB-CZ 3.32Å; R77-F200 HydrophobicContact CG-CE2 4.35Å; R77-F200 HydrophobicContact CG-CZ 4.4Å; R77-F200 VanDerWaalsContact CZ-CE2 3.49Å; R77-V427 HydrophobicContact CB-CG1 4.07Å; R77-V427 HydrophobicContact CB-CG2 4.41Å; R77-V427 HydrophobicContact CG-CG1 3.84Å
78E93.3Very high94.5Very high15 Ų1537.7 Ų37.77%0.0723%0.226CC..THydrogen-bonded Turntrans-50.3-38.2-171.1-74.1175.1-14900115F69 T72 G73 V74 D75 I418 R419F69-E78 HydrophobicContact CE1-CG 3.87Å; T72-E78 WeakPolarHBondContact CA-OE2 3.49Å; G73-E78 VanDerWaalsContact N-CD 3.27Å; G73-E78 PolarHBondContact N-OE1 3.41Å; G73-E78 PolarHBondContact N-OE2 3.43Å; V74-E78 PolarHBondContact N-OE1 3.39Å; D75-E78 HydrophobicContact CB-CG 4.14Å; D75-E78 PolarHBondContact N-OE1 3.45Å; D75-E78 WeakPolarHBondContact O-CG 3.44Å; D75-E78 PolarHBondContact O-N 2.94Å; E78-I418 HydrophobicContact CB-CD1 4.07Å; E78-I418 HydrophobicContact CG-CD1 3.98Å; E78-R419 PolarHBondContact O-NE 2.73Å; E78-R419 PolarHBondContact O-NH2 2.97Å
79S91.5Very high94.8Very high40 Ų4036.4 Ų36.428%0.2822%0.22SC..THydrogen-bonded Turntrans-128.338.3-173.5-69.50000111.5R77 S82R77-S79 PolarHBondContact O-N 2.89Å; S79-S82 VanDerWaalsContact CB-OG 3.29Å; S79-S82 WeakPolarHBondContact CB-OG 3.39Å; S79-S82 WeakPolarHBondContact O-CB 3.08Å; S79-S82 PolarHBondContact O-N 3.48Å; S79-S82 PolarHBondContact O-OG 3.03Å
80W95.8Very high94.8Very high2 Ų240.3 Ų40.31%0.00824%0.239CC..THydrogen-bonded Turntrans-46.3128.9-170.2-177-103.6000114.5F20 L60 R77 F84 Y182 V427 P428 F429 I430F20-W80 HydrophobicContact CD1-CH2 4.46Å; F20-W80 AromaticContact CE1-CH2 3.49Å; F20-W80 HydrophobicContact CE1-CH2 3.49Å; F20-W80 VanDerWaalsContact CE1-CH2 3.49Å; F20-W80 HydrophobicContact CE1-CZ2 4.27Å; F20-W80 HydrophobicContact CE1-CZ3 4.21Å; F20-W80 AromaticContact CZ-CH2 3.81Å; F20-W80 HydrophobicContact CZ-CH2 3.81Å; F20-W80 HydrophobicContact CZ-CZ3 4.26Å; L60-W80 WeakPolarHBondContact CD2-O 3.34Å; R77-W80 PolarHBondContact O-N 2.91Å; W80-F84 AromaticContact CZ3-CD2 3.9Å; W80-F84 HydrophobicContact CZ3-CD2 3.9Å; W80-F84 AromaticContact CZ3-CE2 3.85Å; W80-F84 HydrophobicContact CZ3-CE2 3.85Å; W80-Y182 HydrophobicContact CZ3-CE1 4.3Å; W80-V427 HydrophobicContact CB-CG2 3.74Å; W80-V427 HydrophobicContact CD2-CG1 4.31Å; W80-V427 HydrophobicContact CE3-CG1 4.28Å; W80-V427 HydrophobicContact CG-CB 4.46Å; W80-V427 HydrophobicContact CG-CG2 3.99Å; W80-P428 HydrophobicContact CH2-CB 3.7Å; W80-P428 VanDerWaalsContact CZ2-CA 3.4Å; W80-P428 HydrophobicContact CZ2-CB 3.76Å; W80-P428 WeakPolarHBondContact CZ2-O 3.47Å; W80-P428 HydrophobicContact CZ3-CB 4.23Å; W80-F429 PolarHBondContact NE1-O 3.4Å; W80-F429 VanDerWaalsContact NE1-O 3.08Å; W80-I430 HydrophobicContact CH2-CD1 4.26Å; W80-I430 HydrophobicContact CZ2-CD1 3.7Å; W80-I430 HydrophobicContact CZ2-CG1 3.89Å
81P95.1Very high95Very high0 Ų037.3 Ų37.30%022%0.22CC..THydrogen-bonded Turncis-101.520.90.744.5-41.1000113.4I58 V83 F84 Y85 I430 L432I58-P81 HydrophobicContact CD1-CG 3.53Å; P81-V83 PolarHBondContact O-N 3.31Å; P81-F84 PolarHBondContact O-N 3.04Å; P81-Y85 PolarHBondContact O-N 3.2Å; P81-I430 HydrophobicContact CB-CD1 4.48Å; P81-L432 HydrophobicContact CB-CD2 4.3Å; P81-L432 HydrophobicContact CG-CD1 3.95Å; P81-L432 HydrophobicContact CG-CD2 3.81Å; P81-L432 HydrophobicContact CG-CG 4.46Å
82S94.8Very high95.2Very high28 Ų2836.9 Ų36.920%0.19623%0.225CC..THydrogen-bonded Turntrans-61-21.2-161.772.80000115.6K33 S79 F84 Y85 N86K33-S82 PolarHBondContact NZ-O 3.18Å; S79-S82 VanDerWaalsContact CB-OG 3.29Å; S79-S82 WeakPolarHBondContact CB-OG 3.39Å; S79-S82 WeakPolarHBondContact O-CB 3.08Å; S79-S82 PolarHBondContact O-N 3.48Å; S79-S82 PolarHBondContact O-OG 3.03Å; S82-F84 VanDerWaalsContact C-N 3.28Å; S82-F84 PolarHBondContact O-N 2.01Å; S82-Y85 VanDerWaalsContact CA-O 3.31Å; S82-Y85 WeakPolarHBondContact CA-O 3.2Å; S82-N86 PolarHBondContact O-OD1 3.1Å
83V94.6Very high95.4Very high31 Ų3133.5 Ų33.519%0.18822%0.215CC..THydrogen-bonded Turntrans-61.5-37.1170.8175.80000111.3K33 D76 P81 Y156K33-V83 WeakPolarHBondContact CE-O 3.02Å; K33-V83 VanDerWaalsContact NZ-C 3.35Å; K33-V83 PolarHBondContact NZ-O 2.98Å; D76-V83 HydrophobicContact CB-CG1 4.23Å; D76-V83 WeakPolarHBondContact OD1-CG1 3.04Å; P81-V83 PolarHBondContact O-N 3.31Å; V83-Y156 VanDerWaalsContact CG1-CB 3.49Å; V83-Y156 HydrophobicContact CG1-CD1 3.77Å; V83-Y156 HydrophobicContact CG1-CD2 4.29Å; V83-Y156 HydrophobicContact CG1-CG 3.59Å; V83-Y156 WeakPolarHBondContact O-CE1 3.48Å; V83-Y156 WeakPolarHBondContact O-CE2 3.23Å; V83-Y156 VanDerWaalsContact O-CZ 3.23Å
84F95.9Very high95.7Very high1 Ų132.7 Ų32.70%0.00419%0.194CC..THydrogen-bonded Turntrans-97.8-43.6178.1-57.4-87.6000113.6F20 L30 D76 W80 P81 S82 Y156 M159F20-F84 HydrophobicContact CE1-CB 4.05Å; F20-F84 HydrophobicContact CE1-CD1 4.1Å; F20-F84 AromaticContact CE1-CD2 3.9Å; F20-F84 HydrophobicContact CE1-CD2 3.9Å; F20-F84 HydrophobicContact CE1-CE2 4.41Å; F20-F84 AromaticContact CE1-CG 3.74Å; F20-F84 HydrophobicContact CE1-CG 3.74Å; F20-F84 HydrophobicContact CE2-CD1 4.28Å; F20-F84 HydrophobicContact CE2-CE1 4.18Å; F20-F84 HydrophobicContact CE2-CZ 4.5Å; F20-F84 HydrophobicContact CZ-CB 4.44Å; F20-F84 AromaticContact CZ-CD1 3.64Å; F20-F84 HydrophobicContact CZ-CD1 3.64Å; F20-F84 AromaticContact CZ-CD2 3.74Å; F20-F84 HydrophobicContact CZ-CD2 3.74Å; F20-F84 AromaticContact CZ-CE1 3.73Å; F20-F84 HydrophobicContact CZ-CE1 3.73Å; F20-F84 AromaticContact CZ-CE2 3.81Å; F20-F84 HydrophobicContact CZ-CE2 3.81Å; F20-F84 AromaticContact CZ-CG 3.66Å; F20-F84 HydrophobicContact CZ-CG 3.66Å; F20-F84 AromaticContact CZ-CZ 3.83Å; F20-F84 HydrophobicContact CZ-CZ 3.83Å; L30-F84 HydrophobicContact CD2-CD1 4.3Å; D76-F84 HydrophobicContact CB-CE2 3.91Å; D76-F84 HydrophobicContact CB-CZ 4.05Å; W80-F84 AromaticContact CZ3-CD2 3.9Å; W80-F84 HydrophobicContact CZ3-CD2 3.9Å; W80-F84 AromaticContact CZ3-CE2 3.85Å; W80-F84 HydrophobicContact CZ3-CE2 3.85Å; P81-F84 PolarHBondContact O-N 3.04Å; S82-F84 VanDerWaalsContact C-N 3.28Å; S82-F84 PolarHBondContact O-N 2.01Å; F84-Y156 AromaticContact CD1-CD2 3.6Å; F84-Y156 HydrophobicContact CD1-CD2 3.6Å; F84-Y156 HydrophobicContact CD1-CE2 4.24Å; F84-Y156 AromaticContact CE1-CD2 3.79Å; F84-Y156 HydrophobicContact CE1-CD2 3.79Å; F84-Y156 HydrophobicContact CE1-CG 4.4Å; F84-Y156 HydrophobicContact CG-CD2 4.32Å; F84-M159 HydrophobicContact CE1-CE 4.41Å
85Y96.9Very high95.9Very high0 Ų031.4 Ų31.40%018%0.184CC..  trans-142.1137.3-177.6-42.4-83.1000112.8F20 C24 L30 K33 C35 I58 P81 S82 I430F20-Y85 AromaticContact CD1-CE2 3.45Å; F20-Y85 HydrophobicContact CD1-CE2 3.45Å; F20-Y85 VanDerWaalsContact CD1-CE2 3.45Å; F20-Y85 AromaticContact CE1-CE2 3.78Å; F20-Y85 HydrophobicContact CE1-CE2 3.78Å; F20-Y85 HydrophobicContact CG-CE2 4.36Å; C24-Y85 HydrophobicContact CB-CE1 4.17Å; C24-Y85 WeakPolarHBondContact O-CE1 3.39Å; C24-Y85 PolarHBondContact O-OH 2.97Å; L30-Y85 HydrophobicContact CD2-CE1 3.91Å; L30-Y85 WeakPolarHBondContact CD2-OH 3.42Å; K33-Y85 CarbonylContact O-C 3.3Å; K33-Y85 WeakPolarHBondContact O-CA 3.25Å; C35-Y85 HydrophobicContact CB-CD1 3.54Å; C35-Y85 HydrophobicContact CB-CD2 4.15Å; C35-Y85 HydrophobicContact CB-CE1 3.71Å; C35-Y85 HydrophobicContact CB-CE2 4.32Å; C35-Y85 HydrophobicContact CB-CG 3.78Å; I58-Y85 WeakPolarHBondContact CD1-O 3.35Å; P81-Y85 PolarHBondContact O-N 3.2Å; S82-Y85 VanDerWaalsContact CA-O 3.31Å; S82-Y85 WeakPolarHBondContact CA-O 3.2Å; Y85-I430 HydrophobicContact CD2-CD1 4.32Å; Y85-I430 HydrophobicContact CE2-CD1 4.09Å
86N96.8Very high96Very high85 Ų8531.3 Ų31.346%0.45518%0.183SC..SBendtrans-94.6-16.7169.5-66.9-21.6000111.6K33 N57 I58 S82K33-N86 HydrophobicContact CB-CB 4.2Å; K33-N86 PolarHBondContact O-N 3.33Å; N57-N86 WeakPolarHBondContact CA-O 3.28Å; I58-N86 PolarHBondContact N-O 3.09Å; S82-N86 PolarHBondContact O-OD1 3.1Å
87R97.4Very high95.9Very high75 Ų7530.3 Ų30.328%0.28318%0.177SC..EExtended strand (participates in β ladder)trans-134.1131.4-173.9-71.6174.454.668.27.2111.8K33 E34 C35 C55 Q56 N57K33-R87 PolarHBondContact O-N 3.07Å; K33-R87 VanDerWaalsContact O-N 3.08Å; E34-R87 WeakPolarHBondContact CA-O 3.43Å; E34-R87 HydrophobicContact CB-CB 4.18Å; E34-R87 HydrophobicContact CG-CB 3.89Å; E34-R87 IonicContact OE2-CZ 2.69Å; E34-R87 IonicContact OE2-NE 3.39Å; E34-R87 PolarHBondContact OE2-NE 3.46Å; E34-R87 IonicContact OE2-NH2 2.67Å; E34-R87 PolarHBondContact OE2-NH2 3.08Å; E34-R87 VanDerWaalsContact OE2-NH2 3.08Å; C35-R87 PolarHBondContact N-O 2.99Å; C55-R87 PolarHBondContact O-NH1 2.96Å; C55-R87 PolarHBondContact O-NH2 2.69Å; C55-R87 PolarHBondContact SG-NH2 2.82Å; Q56-R87 VanDerWaalsContact O-CA 3.23Å; Q56-R87 WeakPolarHBondContact O-CA 3.36Å; N57-R87 WeakPolarHBondContact OD1-CD 3.46Å; N57-R87 VanDerWaalsContact OD1-CG 3.27Å; N57-R87 WeakPolarHBondContact OD1-CG 3.29Å; N57-R87 PolarHBondContact OD1-NH1 3.39Å
88T96.9Very high95.9Very high13 Ų1331.3 Ų31.38%0.0818%0.182CC..EExtended strand (participates in β ladder)trans-143.4166.3-179.246.70000111.5C35 Q56 I58 Q90C35-T88 HydrophobicContact CB-CG2 4.18Å; C35-T88 WeakPolarHBondContact O-CA 3.23Å; Q56-T88 PolarHBondContact N-O 2.83Å; Q56-T88 PolarHBondContact O-N 3.06Å; I58-T88 HydrophobicContact CD1-CG2 3.88Å; I58-T88 HydrophobicContact CG1-CG2 4.4Å; I58-T88 VanDerWaalsContact CG1-OG1 3.27Å; I58-T88 WeakPolarHBondContact CG1-OG1 3.3Å; T88-Q90 PolarHBondContact O-N 3.3Å
89C96.9Very high96Very high11 Ų1131.5 Ų31.57%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-65.5119.3170.7-67.70000112.5C46 F98C46-C89 WeakPolarHBondContact CA-SG 3.4Å; C46-C89 HydrophobicContact CB-CB 3.6Å; C46-C89 WeakPolarHBondContact CB-SG 3.23Å; C46-C89 WeakPolarHBondContact SG-CA 3.48Å; C46-C89 WeakPolarHBondContact SG-CB 3.43Å; C46-C89 CovalentContact SG-SG 2.03Å; C46-C89 PolarHBondContact SG-SG 2.72Å; C89-F98 WeakPolarHBondContact CB-O 3.46Å; C89-F98 PolarHBondContact SG-O 3.02Å
90Q96.2Very high96.3Very high100 Ų10029.6 Ų29.647%0.46717%0.17SC..EExtended strand (participates in β ladder)trans-99.1116.5167.2-177.464.328.100108.3G53 S54 Q56 T88G53-Q90 CarbonylContact C-O 3.58Å; G53-Q90 WeakPolarHBondContact CA-O 3.32Å; S54-Q90 PolarHBondContact N-O 3.43Å; S54-Q90 PolarHBondContact O-N 3Å; Q56-Q90 HydrophobicContact CB-CB 4.07Å; Q56-Q90 HydrophobicContact CG-CB 3.97Å; T88-Q90 PolarHBondContact O-N 3.3Å
91C96.9Very high96.3Very high26 Ų2630.4 Ų30.418%0.17618%0.179CC..EExtended strand (participates in β ladder)trans-91.8149.1-173.2-52.30000113R52 F95 C100R52-C91 WeakPolarHBondContact O-CA 3.3Å; C91-F95 HydrophobicContact CB-CB 4.16Å; C91-F95 WeakPolarHBondContact CB-O 3.36Å; C91-C100 WeakPolarHBondContact CA-SG 3Å; C91-C100 HydrophobicContact CB-CB 3.78Å; C91-C100 WeakPolarHBondContact CB-SG 3.04Å; C91-C100 WeakPolarHBondContact SG-CA 2.92Å; C91-C100 WeakPolarHBondContact SG-CB 3.31Å; C91-C100 CovalentContact SG-SG 2.04Å; C91-C100 PolarHBondContact SG-SG 2.74Å
92S97.3Very high96.2Very high56 Ų5632.5 Ų32.539%0.39219%0.19SC..PPolyproline II helixtrans-95.9144.4-175.2-60.80000111.7G51 R52 N94 F95G51-S92 WeakPolarHBondContact O-CB 3.49Å; G51-S92 PolarHBondContact O-OG 3.25Å; R52-S92 PolarHBondContact O-N 2.89Å; S92-N94 PolarHBondContact O-N 2.87Å; S92-N94 VanDerWaalsContact O-N 3.09Å; S92-F95 VanDerWaalsContact O-CD2 3.28Å; S92-F95 WeakPolarHBondContact O-CD2 3.27Å; S92-F95 PolarHBondContact O-N 3.39Å
93G96.5Very high96.3Very high55 Ų5532.2 Ų32.257%0.56719%0.188SC*.THydrogen-bonded Turntrans55.1-115.4173.800000113K104G93-K104 VanDerWaalsContact O-CE 3.29Å; G93-K104 WeakPolarHBondContact O-CE 3.49Å; G93-K104 PolarHBondContact O-NZ 2.04Å
94N97.5Very high96.4Very high54 Ų5435.1 Ų35.129%0.28920%0.198SC..THydrogen-bonded Turntrans-1027.1-177.8-64.7-14.5000114.3S92 K104 F107 C112S92-N94 PolarHBondContact O-N 2.87Å; S92-N94 VanDerWaalsContact O-N 3.09Å; N94-K104 PolarHBondContact O-N 3.08Å; N94-F107 HydrophobicContact CB-CB 4.37Å; N94-F107 HydrophobicContact CB-CD1 4.3Å; N94-F107 HydrophobicContact CB-CD2 4.46Å; N94-F107 HydrophobicContact CB-CG 4.12Å; N94-F107 WeakPolarHBondContact ND2-CD1 3.45Å; N94-F107 WeakPolarHBondContact ND2-CE1 3.36Å; N94-C112 HydrophobicContact CB-CB 3.71Å; N94-C112 WeakPolarHBondContact CB-O 3.34Å; N94-C112 PolarHBondContact ND2-O 2.81Å
95F97.6Very high96.4Very high31 Ų3136.1 Ų36.114%0.13620%0.202CC..EExtended strand (participates in β ladder)trans-78.7149.2174.2-60.3-65.8000111.5R52 C91 S92 C100 N102 C112R52-F95 HydrophobicContact CB-CD2 4.03Å; R52-F95 HydrophobicContact CB-CE2 4.43Å; R52-F95 HydrophobicContact CB-CG 4.12Å; R52-F95 HydrophobicContact CG-CD1 4.09Å; R52-F95 HydrophobicContact CG-CD2 3.98Å; R52-F95 HydrophobicContact CG-CE1 4.08Å; R52-F95 HydrophobicContact CG-CE2 3.95Å; R52-F95 HydrophobicContact CG-CG 4.06Å; R52-F95 HydrophobicContact CG-CZ 4.01Å; R52-F95 VanDerWaalsContact NH1-CE1 3.34Å; C91-F95 HydrophobicContact CB-CB 4.16Å; C91-F95 WeakPolarHBondContact CB-O 3.36Å; S92-F95 VanDerWaalsContact O-CD2 3.28Å; S92-F95 WeakPolarHBondContact O-CD2 3.27Å; S92-F95 PolarHBondContact O-N 3.39Å; F95-C100 HydrophobicContact CB-CB 4.35Å; F95-N102 CarbonylContact C-O 3.51Å; F95-N102 WeakPolarHBondContact CA-O 3.36Å; F95-C112 HydrophobicContact CD1-CB 4.2Å; F95-C112 WeakPolarHBondContact CD1-SG 3.32Å; F95-C112 HydrophobicContact CE1-CB 4.14Å; F95-C112 WeakPolarHBondContact CE1-SG 3.45Å
96M95.9Very high96.4Very high12 Ų1236.4 Ų36.46%0.05921%0.206CC..EExtended strand (participates in β ladder)trans-153-166.416974.7159.2-178.200111.6C100 G101 N102 C103 K104 F105 Y433M96-C100 CarbonylContact O-C 3.48Å; M96-C100 VanDerWaalsContact O-C 3.29Å; M96-C100 VanDerWaalsContact O-CA 3.23Å; M96-C100 WeakPolarHBondContact O-CA 3.37Å; M96-G101 PolarHBondContact O-N 2.84Å; M96-N102 HydrophobicContact CG-CB 4.35Å; M96-N102 PolarHBondContact N-O 3.43Å; M96-N102 CarbonylContact O-C 3.51Å; M96-N102 WeakPolarHBondContact O-CA 3.49Å; M96-N102 WeakPolarHBondContact O-CB 3.29Å; M96-N102 PolarHBondContact O-N 3.28Å; M96-C103 WeakPolarHBondContact CE-O 3.26Å; M96-C103 WeakPolarHBondContact CG-O 3.37Å; M96-K104 HydrophobicContact CB-CG 4.08Å; M96-K104 HydrophobicContact CG-CG 4.3Å; M96-F105 HydrophobicContact CE-CD1 3.83Å; M96-F105 HydrophobicContact CE-CD2 4.29Å; M96-F105 HydrophobicContact CE-CE1 3.59Å; M96-F105 HydrophobicContact CE-CE2 4.08Å; M96-F105 HydrophobicContact CE-CG 4.18Å; M96-F105 HydrophobicContact CE-CZ 3.74Å; M96-F105 HydrophobicContact SD-CD2 4.5Å; M96-F105 HydrophobicContact SD-CE2 4.19Å; M96-F105 HydrophobicContact SD-CZ 4.31Å; M96-Y433 HydrophobicContact SD-CE1 4.05Å; M96-Y433 PolarHBondContact SD-OH 2.72Å
97G94.4Very high96.4Very high0 Ų034.4 Ų34.40%019%0.193CC..SBendtrans87.5159.4-171.600000111N99 C100G97-N99 PolarHBondContact O-N 2.9Å; G97-C100 PolarHBondContact O-N 3.36Å
98F95Very high96.3Very high22 Ų2232.6 Ų32.610%0.09619%0.186CC..THydrogen-bonded Turntrans-64.3-13.7-17160.4-97.1000115.1P21 P37 C89 D148 Y149 I430P21-F98 HydrophobicContact CB-CB 4.03Å; P21-F98 HydrophobicContact CB-CD1 4.2Å; P21-F98 HydrophobicContact CB-CD2 3.62Å; P21-F98 HydrophobicContact CB-CE2 4.11Å; P21-F98 HydrophobicContact CB-CG 3.67Å; P21-F98 HydrophobicContact CG-CB 3.33Å; P21-F98 HydrophobicContact CG-CD1 4.15Å; P21-F98 HydrophobicContact CG-CD2 3.95Å; P21-F98 HydrophobicContact CG-CG 3.54Å; P37-F98 HydrophobicContact CG-CD2 3.64Å; P37-F98 HydrophobicContact CG-CE2 4.15Å; C89-F98 WeakPolarHBondContact CB-O 3.46Å; C89-F98 PolarHBondContact SG-O 3.02Å; F98-D148 HydrophobicContact CE1-CB 3.88Å; F98-D148 VanDerWaalsContact CE1-OD2 3.3Å; F98-D148 WeakPolarHBondContact CE1-OD2 3.18Å; F98-D148 HydrophobicContact CZ-CB 4.22Å; F98-D148 WeakPolarHBondContact CZ-OD2 3.42Å; F98-Y149 AromaticContact CD1-CE1 3.76Å; F98-Y149 HydrophobicContact CD1-CE1 3.76Å; F98-Y149 HydrophobicContact CD1-CE2 4.47Å; F98-Y149 AromaticContact CD1-CZ 3.67Å; F98-Y149 HydrophobicContact CE1-CE1 4.32Å; F98-Y149 HydrophobicContact CE1-CE2 4.49Å; F98-I430 HydrophobicContact CB-CG2 4.41Å
99N96.3Very high96.1Very high20 Ų2033 Ų3311%0.10719%0.193CC..THydrogen-bonded Turntrans-122.913.2174.165.11.2000112.9P37 C46 G97 G101P37-N99 HydrophobicContact CG-CB 4.22Å; C46-N99 CarbonylContact C-O 3.54Å; C46-N99 VanDerWaalsContact C-O 3.3Å; C46-N99 WeakPolarHBondContact CA-O 3.4Å; G97-N99 PolarHBondContact O-N 2.9Å; N99-G101 PolarHBondContact O-N 3.06Å; N99-G101 WeakPolarHBondContact OD1-CA 3.31Å; N99-G101 PolarHBondContact OD1-N 3.47Å
100C97.6Very high95.8Very high0 Ų037.2 Ų37.20%022%0.22CC..SBendtrans58.821.4-172.5-49.70000115.6C46 R52 C91 F95 M96 G97C46-C100 WeakPolarHBondContact O-CB 3.18Å; R52-C100 HydrophobicContact CB-CB 3.87Å; R52-C100 WeakPolarHBondContact CD-O 3.48Å; R52-C100 PolarHBondContact NH1-O 3.02Å; R52-C100 VanDerWaalsContact NH1-O 3.08Å; R52-C100 WeakPolarHBondContact O-CB 3.47Å; C91-C100 WeakPolarHBondContact CA-SG 3Å; C91-C100 HydrophobicContact CB-CB 3.78Å; C91-C100 WeakPolarHBondContact CB-SG 3.04Å; C91-C100 WeakPolarHBondContact SG-CA 2.92Å; C91-C100 WeakPolarHBondContact SG-CB 3.31Å; C91-C100 CovalentContact SG-SG 2.04Å; C91-C100 PolarHBondContact SG-SG 2.74Å; F95-C100 HydrophobicContact CB-CB 4.35Å; M96-C100 CarbonylContact O-C 3.48Å; M96-C100 VanDerWaalsContact O-C 3.29Å; M96-C100 VanDerWaalsContact O-CA 3.23Å; M96-C100 WeakPolarHBondContact O-CA 3.37Å; G97-C100 PolarHBondContact O-N 3.36Å
101G95.1Very high95.7Very high19 Ų1937.5 Ų37.520%0.19623%0.225CC..  trans-76.4-27.3177.400000115.1W39 R52 M96 N99W39-G101 VanDerWaalsContact NE1-CA 3.32Å; R52-G101 PolarHBondContact NH1-O 2.78Å; M96-G101 PolarHBondContact O-N 2.84Å; N99-G101 PolarHBondContact O-N 3.06Å; N99-G101 WeakPolarHBondContact OD1-CA 3.31Å; N99-G101 PolarHBondContact OD1-N 3.47Å
102N94.3Very high95.7Very high44 Ų4436.2 Ų36.224%0.23522%0.216CC..EExtended strand (participates in β ladder)trans-91.8170.4-175-63.327.3000111.2F95 M96 Q220F95-N102 CarbonylContact C-O 3.51Å; F95-N102 WeakPolarHBondContact CA-O 3.36Å; M96-N102 HydrophobicContact CG-CB 4.35Å; M96-N102 PolarHBondContact N-O 3.43Å; M96-N102 CarbonylContact O-C 3.51Å; M96-N102 WeakPolarHBondContact O-CA 3.49Å; M96-N102 WeakPolarHBondContact O-CB 3.29Å; M96-N102 PolarHBondContact O-N 3.28Å; N102-Q220 PolarHBondContact ND2-OE1 3.32Å
103C96.2Very high95.7Very high21 Ų2138.5 Ų38.514%0.14223%0.228CC..EExtended strand (participates in β ladder)trans-100.3148.2170.3-59.20000111.5M96 F107 G109 C112M96-C103 WeakPolarHBondContact CE-O 3.26Å; M96-C103 WeakPolarHBondContact CG-O 3.37Å; C103-F107 HydrophobicContact CB-CB 4.18Å; C103-F107 WeakPolarHBondContact CB-O 3.45Å; C103-G109 PolarHBondContact SG-O 3.02Å; C103-G109 VanDerWaalsContact SG-O 3.33Å; C103-C112 WeakPolarHBondContact CA-SG 3.19Å; C103-C112 HydrophobicContact CB-CB 3.58Å; C103-C112 WeakPolarHBondContact CB-SG 3.38Å; C103-C112 WeakPolarHBondContact SG-CA 3.46Å; C103-C112 WeakPolarHBondContact SG-CB 2.95Å; C103-C112 CovalentContact SG-SG 2.03Å; C103-C112 PolarHBondContact SG-SG 2.98Å
104K96.6Very high95.7Very high92 Ų9240.1 Ų40.140%0.422%0.221SC..PPolyproline II helixtrans-57.4153.1171.8-77.1-176.6-179169.40110.3G93 N94 M96 G106 F107G93-K104 VanDerWaalsContact O-CE 3.29Å; G93-K104 WeakPolarHBondContact O-CE 3.49Å; G93-K104 PolarHBondContact O-NZ 2.04Å; N94-K104 PolarHBondContact O-N 3.08Å; M96-K104 HydrophobicContact CB-CG 4.08Å; M96-K104 HydrophobicContact CG-CG 4.3Å; K104-G106 PolarHBondContact O-N 3.2Å; K104-F107 HydrophobicContact CB-CD2 4.04Å; K104-F107 WeakPolarHBondContact O-CA 3.01Å; K104-F107 WeakPolarHBondContact O-CB 3.23Å; K104-F107 PolarHBondContact O-N 3.16Å
105F96.8Very high95.6Very high22 Ų2244.1 Ų44.110%0.09623%0.232CC..THydrogen-bonded Turntrans-52.8135178-52-68.8000110.8M96 F107 L213 L216 Y433 F438 L445M96-F105 HydrophobicContact CE-CD1 3.83Å; M96-F105 HydrophobicContact CE-CD2 4.29Å; M96-F105 HydrophobicContact CE-CE1 3.59Å; M96-F105 HydrophobicContact CE-CE2 4.08Å; M96-F105 HydrophobicContact CE-CG 4.18Å; M96-F105 HydrophobicContact CE-CZ 3.74Å; M96-F105 HydrophobicContact SD-CD2 4.5Å; M96-F105 HydrophobicContact SD-CE2 4.19Å; M96-F105 HydrophobicContact SD-CZ 4.31Å; F105-F107 VanDerWaalsContact C-N 3.29Å; F105-F107 PolarHBondContact O-N 3.45Å; F105-L213 HydrophobicContact CE2-CD1 3.84Å; F105-L213 HydrophobicContact CZ-CD1 3.91Å; F105-L216 HydrophobicContact CD1-CB 4.02Å; F105-L216 HydrophobicContact CD1-CD2 4.22Å; F105-L216 HydrophobicContact CD2-CD1 4.24Å; F105-L216 HydrophobicContact CE1-CB 3.65Å; F105-L216 HydrophobicContact CE2-CB 4.29Å; F105-L216 HydrophobicContact CE2-CD1 4.45Å; F105-L216 HydrophobicContact CG-CB 4.48Å; F105-L216 HydrophobicContact CG-CD1 4.32Å; F105-L216 HydrophobicContact CG-CD2 4.44Å; F105-L216 HydrophobicContact CZ-CB 3.78Å; F105-Y433 HydrophobicContact CE2-CE1 4.17Å; F105-F438 AromaticContact CD2-CE1 3.93Å; F105-F438 HydrophobicContact CD2-CE1 3.93Å; F105-F438 HydrophobicContact CD2-CZ 4.23Å; F105-F438 AromaticContact CE2-CE1 3.72Å; F105-F438 HydrophobicContact CE2-CE1 3.72Å; F105-F438 AromaticContact CE2-CZ 3.85Å; F105-F438 HydrophobicContact CE2-CZ 3.85Å; F105-L445 CarbonylContact C-O 3.44Å; F105-L445 HydrophobicContact CB-CB 4.44Å; F105-L445 HydrophobicContact CB-CD2 4.46Å; F105-L445 WeakPolarHBondContact CB-O 3.5Å; F105-L445 HydrophobicContact CD2-CD2 4.3Å
106G96.3Very high95.4Very high7 Ų746.2 Ų46.27%0.07224%0.239CC..THydrogen-bonded Turntrans78.8-4.7-17200000116.7K104 R115 R116 L445K104-G106 PolarHBondContact O-N 3.2Å; G106-R115 VanDerWaalsContact O-CA 3.28Å; G106-R115 WeakPolarHBondContact O-CA 3.49Å; G106-R116 PolarHBondContact O-N 3.09Å; G106-L445 PolarHBondContact N-O 2.77Å; G106-L445 VanDerWaalsContact N-O 3.15Å
107F97Very high95.5Very high42 Ų4249.5 Ų49.518%0.18426%0.256CS..EExtended strand (participates in β ladder)trans-112.3142.2175.2-65.2-86.2000112N94 C103 K104 F105 C112 E114 R115N94-F107 HydrophobicContact CB-CB 4.37Å; N94-F107 HydrophobicContact CB-CD1 4.3Å; N94-F107 HydrophobicContact CB-CD2 4.46Å; N94-F107 HydrophobicContact CB-CG 4.12Å; N94-F107 WeakPolarHBondContact ND2-CD1 3.45Å; N94-F107 WeakPolarHBondContact ND2-CE1 3.36Å; C103-F107 HydrophobicContact CB-CB 4.18Å; C103-F107 WeakPolarHBondContact CB-O 3.45Å; K104-F107 HydrophobicContact CB-CD2 4.04Å; K104-F107 WeakPolarHBondContact O-CA 3.01Å; K104-F107 WeakPolarHBondContact O-CB 3.23Å; K104-F107 PolarHBondContact O-N 3.16Å; F105-F107 VanDerWaalsContact C-N 3.29Å; F105-F107 PolarHBondContact O-N 3.45Å; F107-C112 HydrophobicContact CB-CB 4.37Å; F107-C112 WeakPolarHBondContact CD1-O 3.31Å; F107-E114 CarbonylContact C-O 3.29Å; F107-E114 VanDerWaalsContact CA-O 3.29Å; F107-E114 WeakPolarHBondContact CA-O 3.44Å; F107-R115 HydrophobicContact CD1-CG 3.88Å; F107-R115 HydrophobicContact CE1-CG 3.54Å; F107-R115 HydrophobicContact CZ-CG 4.21Å
108W94.4Very high95.6Very high38 Ų3850.5 Ų50.514%0.14426%0.261CS..EExtended strand (participates in β ladder)trans-143.9178.1-171.1-66.688.1000111.6C112 T113 E114 R116 E229W108-C112 CarbonylContact O-C 3.51Å; W108-C112 VanDerWaalsContact O-CA 3.27Å; W108-C112 WeakPolarHBondContact O-CA 3.47Å; W108-T113 PolarHBondContact O-N 3.44Å; W108-E114 HydrophobicContact CB-CB 4.21Å; W108-E114 PolarHBondContact N-O 2.71Å; W108-E114 PolarHBondContact O-N 2.8Å; W108-R116 HydrophobicContact CB-CG 4.39Å; W108-R116 HydrophobicContact CG-CB 4.48Å; W108-R116 HydrophobicContact CG-CG 4Å; W108-E229 HydrophobicContact CE3-CB 4.25Å; W108-E229 HydrophobicContact CE3-CG 4.17Å; W108-E229 HydrophobicContact CH2-CB 3.79Å; W108-E229 HydrophobicContact CH2-CG 4.2Å; W108-E229 HydrophobicContact CZ3-CB 3.59Å; W108-E229 HydrophobicContact CZ3-CG 3.54Å; W108-E229 WeakPolarHBondContact CZ3-OE1 3.31Å
109G93Very high95.8Very high21 Ų2151.4 Ų51.422%0.21627%0.269CS..THydrogen-bonded Turntrans79.2164.6-175.400000112.8C103 N111 C112 E114C103-G109 PolarHBondContact SG-O 3.02Å; C103-G109 VanDerWaalsContact SG-O 3.33Å; G109-N111 PolarHBondContact O-N 3.23Å; G109-C112 PolarHBondContact O-N 3.35Å; G109-C112 VanDerWaalsContact O-N 3.07Å; G109-E114 VanDerWaalsContact CA-OE1 3.26Å; G109-E114 WeakPolarHBondContact CA-OE1 3.4Å
110P91.3Very high95.9Very high100 Ų10050.4 Ų50.465%0.64926%0.264SS*.THydrogen-bonded Turntrans-59.7-25.8-173.323.5-34.3000113.9R52R52-P110 PolarHBondContact NH2-O 2.92Å
111N94.8Very high95.9Very high105 Ų10554 Ų5456%0.56128%0.277SS*.THydrogen-bonded Turntrans-108.26.7-178.5-62.9-28.8000113.7G109 T113G109-N111 PolarHBondContact O-N 3.23Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 HydrophobicContact CB-CG2 4.23Å; N111-T113 PolarHBondContact O-N 2.94Å
112C96.8Very high96.1Very high0 Ų054.2 Ų54.20%027%0.273CS..THydrogen-bonded Turntrans58.236.1178.8-49.10000114.3N94 F95 C103 F107 W108 G109N94-C112 HydrophobicContact CB-CB 3.71Å; N94-C112 WeakPolarHBondContact CB-O 3.34Å; N94-C112 PolarHBondContact ND2-O 2.81Å; F95-C112 HydrophobicContact CD1-CB 4.2Å; F95-C112 WeakPolarHBondContact CD1-SG 3.32Å; F95-C112 HydrophobicContact CE1-CB 4.14Å; F95-C112 WeakPolarHBondContact CE1-SG 3.45Å; C103-C112 WeakPolarHBondContact CA-SG 3.19Å; C103-C112 HydrophobicContact CB-CB 3.58Å; C103-C112 WeakPolarHBondContact CB-SG 3.38Å; C103-C112 WeakPolarHBondContact SG-CA 3.46Å; C103-C112 WeakPolarHBondContact SG-CB 2.95Å; C103-C112 CovalentContact SG-SG 2.03Å; C103-C112 PolarHBondContact SG-SG 2.98Å; F107-C112 HydrophobicContact CB-CB 4.37Å; F107-C112 WeakPolarHBondContact CD1-O 3.31Å; W108-C112 CarbonylContact O-C 3.51Å; W108-C112 VanDerWaalsContact O-CA 3.27Å; W108-C112 WeakPolarHBondContact O-CA 3.47Å; G109-C112 PolarHBondContact O-N 3.35Å; G109-C112 VanDerWaalsContact O-N 3.07Å
113T96.8Very high96.3Very high104 Ų10452.1 Ų52.164%0.63826%0.262SS*.  trans-104.7-21.9-177.747.40000113.6W108 N111W108-T113 PolarHBondContact O-N 3.44Å; N111-T113 VanDerWaalsContact C-N 3.27Å; N111-T113 HydrophobicContact CB-CG2 4.23Å; N111-T113 PolarHBondContact O-N 2.94Å
114E96.4Very high96.4Very high89 Ų8955.1 Ų55.142%0.41627%0.273SS..EExtended strand (participates in β ladder)trans-79.3129177.1-63.2161.5-138.500108.7F107 W108 G109F107-E114 CarbonylContact C-O 3.29Å; F107-E114 VanDerWaalsContact CA-O 3.29Å; F107-E114 WeakPolarHBondContact CA-O 3.44Å; W108-E114 HydrophobicContact CB-CB 4.21Å; W108-E114 PolarHBondContact N-O 2.71Å; W108-E114 PolarHBondContact O-N 2.8Å; G109-E114 VanDerWaalsContact CA-OE1 3.26Å; G109-E114 WeakPolarHBondContact CA-OE1 3.4Å
115R95.4Very high96.4Very high138 Ų13854.4 Ų54.452%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-90.9141.8167.4-66.6-16083.4-155.31.8110.3G106 F107 K443 D444G106-R115 VanDerWaalsContact O-CA 3.28Å; G106-R115 WeakPolarHBondContact O-CA 3.49Å; F107-R115 HydrophobicContact CD1-CG 3.88Å; F107-R115 HydrophobicContact CE1-CG 3.54Å; F107-R115 HydrophobicContact CZ-CG 4.21Å; R115-K443 PolarHBondContact NH2-O 2.74Å; R115-D444 PolarHBondContact NH2-O 3.32Å
116R93.7Very high96.4Very high74 Ų7454.5 Ų54.528%0.27928%0.275SS..  trans-132.5151.6165.4-57.5-174-169.5166.39.5109.8G106 W108 E229G106-R116 PolarHBondContact O-N 3.09Å; W108-R116 HydrophobicContact CB-CG 4.39Å; W108-R116 HydrophobicContact CG-CB 4.48Å; W108-R116 HydrophobicContact CG-CG 4Å; R116-E229 IonicContact CZ-OE2 3.2Å; R116-E229 IonicContact NH1-OE2 2.74Å; R116-E229 PolarHBondContact NH1-OE2 3.33Å; R116-E229 IonicContact NH2-OE2 2.81Å; R116-E229 PolarHBondContact NH2-OE2 3.04Å
117L96.4Very high96.5Very high82 Ų8257 Ų5743%0.42929%0.291SS..  trans-118.1113.2171.8-173.874.8000107.3K443 G446 D448L117-K443 HydrophobicContact CD1-CB 4.44Å; L117-K443 HydrophobicContact CD1-CG 4.32Å; L117-G446 WeakPolarHBondContact CA-O 3.49Å; L117-D448 HydrophobicContact CD1-CB 4.35Å; L117-D448 HydrophobicContact CD2-CB 4.29Å; L117-D448 HydrophobicContact CG-CB 4.41Å
118L97.4Very high96.5Very high20 Ų2057.8 Ų57.811%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-86.1157.9172.2-62.2-178.1000110.3T232 G446 Y447 D448L118-T232 HydrophobicContact CB-CG2 3.69Å; L118-T232 HydrophobicContact CD1-CG2 4.13Å; L118-T232 HydrophobicContact CG-CG2 4.41Å; L118-G446 PolarHBondContact N-O 3.31Å; L118-Y447 CarbonylContact O-C 3.28Å; L118-Y447 VanDerWaalsContact O-CA 3.22Å; L118-Y447 WeakPolarHBondContact O-CA 3.45Å; L118-D448 PolarHBondContact O-N 3.13Å
119V98.3Very high96.6Very high41 Ų4160.5 Ų60.525%0.24833%0.328CS..EExtended strand (participates in β ladder)trans-126.4112.4-178.5-175.20000110.3R121 D448V119-R121 HydrophobicContact CG1-CG 4.5Å; V119-D448 CarbonylContact C-O 3.41Å; V119-D448 WeakPolarHBondContact CA-O 3.07Å
120R98.7Very high96.8Very high0 Ų062.6 Ų62.60%033%0.333CS..EExtended strand (participates in β ladder)trans-72.9129.1168.6-64.1-171.8175.3149.26.5108.5E219 I233 Y235 D394 Y447 D448 Y449 S450R120-E219 IonicContact CZ-OE1 3.04Å; R120-E219 IonicContact CZ-OE2 2.68Å; R120-E219 IonicContact NE-OE1 2.72Å; R120-E219 PolarHBondContact NE-OE1 2.87Å; R120-E219 IonicContact NE-OE2 3.36Å; R120-E219 IonicContact NH2-OE1 3.97Å; R120-E219 PolarHBondContact NH2-OE1 3.3Å; R120-E219 VanDerWaalsContact NH2-OE1 3.17Å; R120-E219 IonicContact NH2-OE2 3.71Å; R120-E219 PolarHBondContact NH2-OE2 3.46Å; R120-I233 WeakPolarHBondContact CB-O 3.03Å; R120-I233 VanDerWaalsContact CD-O 3.28Å; R120-I233 WeakPolarHBondContact CD-O 3.26Å; R120-I233 WeakPolarHBondContact CG-O 3.44Å; R120-Y235 HydrophobicContact CB-CD1 4.39Å; R120-Y235 WeakPolarHBondContact O-CE1 3.42Å; R120-D394 IonicContact NH1-OD2 3.43Å; R120-D394 PolarHBondContact NH1-OD2 2.68Å; R120-Y447 HydrophobicContact CG-CD2 4.44Å; R120-D448 PolarHBondContact N-O 3.14Å; R120-Y449 HydrophobicContact CB-CD1 3.81Å; R120-Y449 HydrophobicContact CB-CE1 3.75Å; R120-Y449 HydrophobicContact CG-CE1 4.34Å; R120-Y449 PolarHBondContact NH1-OH 3.35Å; R120-Y449 WeakPolarHBondContact O-CA 3.43Å; R120-S450 PolarHBondContact O-N 3.42Å
121R98.5Very high97.1Very high76 Ų7658.3 Ų58.329%0.28730%0.303SS..  trans-111.3160.2-176.8-59.117767.5-144.9-7.4110.6V119 D125 L126 E130 P234 Y235V119-R121 HydrophobicContact CG1-CG 4.5Å; R121-D125 PolarHBondContact NH2-O 2.72Å; R121-L126 HydrophobicContact CB-CD2 4.03Å; R121-E130 IonicContact CZ-OE1 3.44Å; R121-E130 IonicContact NH1-OE1 3.69Å; R121-E130 PolarHBondContact NH1-OE1 2.87Å; R121-E130 IonicContact NH1-OE2 3.25Å; R121-E130 PolarHBondContact NH1-OE2 2.67Å; R121-P234 CarbonylContact O-C 3.17Å; R121-P234 VanDerWaalsContact O-CA 3.24Å; R121-P234 WeakPolarHBondContact O-CA 3.38Å; R121-P234 VanDerWaalsContact O-CB 3.29Å; R121-P234 WeakPolarHBondContact O-CB 3.35Å; R121-Y235 VanDerWaalsContact C-CD1 3.45Å; R121-Y235 VanDerWaalsContact O-CD1 3.25Å; R121-Y235 WeakPolarHBondContact O-CD1 3.27Å; R121-Y235 PolarHBondContact O-N 2.87Å
122N98.6Very high97.1Very high22 Ų2257.4 Ų57.412%0.11830%0.299CS..BIsolated β-bridgetrans-66.2140.2169.6-164.2-23.7000108.1F124 D125 Y235N122-F124 PolarHBondContact O-N 2.79Å; N122-F124 WeakPolarHBondContact OD1-CD2 3.48Å; N122-F124 PolarHBondContact OD1-N 3.27Å; N122-D125 HydrophobicContact CB-CB 4.49Å; N122-D125 VanDerWaalsContact CB-OD2 3.27Å; N122-D125 WeakPolarHBondContact CB-OD2 3.29Å; N122-D125 PolarHBondContact N-OD2 2.7Å; N122-D125 WeakPolarHBondContact O-CB 3.48Å; N122-D125 PolarHBondContact O-N 3.25Å; N122-Y235 WeakPolarHBondContact CA-O 3.47Å; N122-Y235 HydrophobicContact CB-CD2 4.28Å; N122-Y235 HydrophobicContact CB-CE1 4.45Å; N122-Y235 HydrophobicContact CB-CE2 3.59Å; N122-Y235 VanDerWaalsContact N-CE1 3.26Å; N122-Y235 VanDerWaalsContact N-CZ 3.31Å; N122-Y235 PolarHBondContact OD1-O 2.9Å
123I98.4Very high97.2Very high0 Ų060.9 Ų60.90%031%0.314CS..G310 helixtrans-60.2-27.2177.2-172.4163000112.5D125 L126 K131 F135 P234 Y235 I246 Y251 M252 L388I123-D125 VanDerWaalsContact C-N 3.29Å; I123-D125 PolarHBondContact O-N 3.26Å; I123-L126 HydrophobicContact CG1-CD1 4.39Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.26Å; I123-K131 HydrophobicContact CG1-CD 4.34Å; I123-F135 HydrophobicContact CD1-CE1 4.3Å; I123-F135 HydrophobicContact CD1-CZ 4.42Å; I123-P234 HydrophobicContact CB-CB 4.29Å; I123-P234 HydrophobicContact CB-CG 4.47Å; I123-Y235 PolarHBondContact N-O 3.41Å; I123-I246 HydrophobicContact CG2-CG2 3.89Å; I123-Y251 HydrophobicContact CD1-CD1 3.79Å; I123-Y251 HydrophobicContact CD1-CE1 4.48Å; I123-Y251 HydrophobicContact CG1-CD1 3.8Å; I123-Y251 HydrophobicContact CG1-CE1 4Å; I123-M252 HydrophobicContact CD1-CE 3.52Å; I123-L388 HydrophobicContact CB-CD2 3.96Å; I123-L388 HydrophobicContact CD1-CD2 3.68Å; I123-L388 HydrophobicContact CG1-CD2 4.4Å; I123-L388 HydrophobicContact CG2-CD2 3.81Å
124F97.8Very high97.2Very high84 Ų8456.1 Ų56.137%0.36828%0.284SS..G310 helixtrans-71.6-19.2173.8-58.3-58000113.9N122 L126 W236 D245 I246 Y251N122-F124 PolarHBondContact O-N 2.79Å; N122-F124 WeakPolarHBondContact OD1-CD2 3.48Å; N122-F124 PolarHBondContact OD1-N 3.27Å; F124-L126 VanDerWaalsContact C-N 3.34Å; F124-W236 AromaticContact CE2-CD1 3.81Å; F124-D245 HydrophobicContact CZ-CB 4.11Å; F124-I246 HydrophobicContact CE1-CG2 3.89Å; F124-I246 HydrophobicContact CE2-CG2 4.3Å; F124-I246 HydrophobicContact CZ-CG2 3.53Å; F124-Y251 HydrophobicContact CD1-CE1 4.03Å; F124-Y251 AromaticContact CD1-CZ 3.93Å; F124-Y251 HydrophobicContact CE1-CE1 4.31Å
125D97.8Very high97.3Very high78 Ų7852 Ų5242%0.41727%0.265SS..G310 helixtrans-82.6-15175.3-54.2-30.4000112.1R121 N122 I123R121-D125 PolarHBondContact NH2-O 2.72Å; N122-D125 HydrophobicContact CB-CB 4.49Å; N122-D125 VanDerWaalsContact CB-OD2 3.27Å; N122-D125 WeakPolarHBondContact CB-OD2 3.29Å; N122-D125 PolarHBondContact N-OD2 2.7Å; N122-D125 WeakPolarHBondContact O-CB 3.48Å; N122-D125 PolarHBondContact O-N 3.25Å; I123-D125 VanDerWaalsContact C-N 3.29Å; I123-D125 PolarHBondContact O-N 3.26Å
126L97.6Very high97.4Very high24 Ų2447.8 Ų47.813%0.12626%0.259CS..SBendtrans-75.4129.1-175.3-63.6-171000111.4R121 I123 F124 E130 K131 P234R121-L126 HydrophobicContact CB-CD2 4.03Å; I123-L126 HydrophobicContact CG1-CD1 4.39Å; I123-L126 WeakPolarHBondContact O-CB 3.47Å; I123-L126 PolarHBondContact O-N 3.26Å; F124-L126 VanDerWaalsContact C-N 3.34Å; L126-E130 HydrophobicContact CB-CB 4.03Å; L126-E130 HydrophobicContact CD2-CB 4.2Å; L126-E130 HydrophobicContact CG-CB 4.47Å; L126-K131 HydrophobicContact CB-CD 4.27Å; L126-K131 HydrophobicContact CB-CG 3.53Å; L126-K131 HydrophobicContact CD1-CG 4.24Å; L126-P234 HydrophobicContact CD1-CB 3.99Å; L126-P234 HydrophobicContact CD1-CG 4.1Å
127S97.4Very high97.6Very high58 Ų5846.7 Ų46.741%0.40626%0.256SS..  trans-63.8156.6169.563.60000111.2P129 E130 K131S127-P129 VanDerWaalsContact C-N 3.35Å; S127-E130 WeakPolarHBondContact CB-OE2 3.24Å; S127-E130 PolarHBondContact N-OE2 2.72Å; S127-E130 WeakPolarHBondContact O-CA 3.5Å; S127-E130 WeakPolarHBondContact O-CB 3.41Å; S127-E130 PolarHBondContact O-N 3.37Å; S127-E130 WeakPolarHBondContact OG-CG 3.4Å; S127-E130 PolarHBondContact OG-OE2 3.45Å; S127-K131 PolarHBondContact O-N 2.85Å
128A96.5Very high97.7Very high60 Ų6042.8 Ų42.850%0.49624%0.235SC..Hα-helixtrans-51.6-44.9-178.900000113.5E130 K131 D132A128-E130 VanDerWaalsContact C-N 3.3Å; A128-E130 PolarHBondContact O-N 3.15Å; A128-K131 PolarHBondContact O-N 3.19Å; A128-K131 VanDerWaalsContact O-N 3.15Å; A128-D132 WeakPolarHBondContact O-CB 3.38Å; A128-D132 VanDerWaalsContact O-CG 3.23Å; A128-D132 PolarHBondContact O-N 3.04Å
129P97.3Very high97.7Very high94 Ų9443.4 Ų43.461%0.6124%0.24SC*.Hα-helixtrans-63.5-29.2175.4-2335.3000114.7S127 K133S127-P129 VanDerWaalsContact C-N 3.35Å; P129-K133 VanDerWaalsContact O-CB 3.24Å; P129-K133 WeakPolarHBondContact O-CB 3.36Å; P129-K133 PolarHBondContact O-N 2.93Å
130E97.8Very high97.7Very high66 Ų6645.2 Ų45.231%0.30825%0.248SC..Hα-helixtrans-72.1-39.5174.1-69.1171.5104.200111.4R121 L126 S127 A128 F134R121-E130 IonicContact CZ-OE1 3.44Å; R121-E130 IonicContact NH1-OE1 3.69Å; R121-E130 PolarHBondContact NH1-OE1 2.87Å; R121-E130 IonicContact NH1-OE2 3.25Å; R121-E130 PolarHBondContact NH1-OE2 2.67Å; L126-E130 HydrophobicContact CB-CB 4.03Å; L126-E130 HydrophobicContact CD2-CB 4.2Å; L126-E130 HydrophobicContact CG-CB 4.47Å; S127-E130 WeakPolarHBondContact CB-OE2 3.24Å; S127-E130 PolarHBondContact N-OE2 2.72Å; S127-E130 WeakPolarHBondContact O-CA 3.5Å; S127-E130 WeakPolarHBondContact O-CB 3.41Å; S127-E130 PolarHBondContact O-N 3.37Å; S127-E130 WeakPolarHBondContact OG-CG 3.4Å; S127-E130 PolarHBondContact OG-OE2 3.45Å; A128-E130 VanDerWaalsContact C-N 3.3Å; A128-E130 PolarHBondContact O-N 3.15Å; E130-F134 WeakPolarHBondContact O-CB 3.48Å; E130-F134 PolarHBondContact O-N 3.04Å
131K96.1Very high97.7Very high9 Ų945.2 Ų45.24%0.03925%0.248CC..Hα-helixtrans-66.6-48.1174.7-63.5-164.8-65.8169.10111.6I123 L126 S127 A128 K133 F134 F135 E250 Y251I123-K131 HydrophobicContact CG1-CD 4.34Å; L126-K131 HydrophobicContact CB-CD 4.27Å; L126-K131 HydrophobicContact CB-CG 3.53Å; L126-K131 HydrophobicContact CD1-CG 4.24Å; S127-K131 PolarHBondContact O-N 2.85Å; A128-K131 PolarHBondContact O-N 3.19Å; A128-K131 VanDerWaalsContact O-N 3.15Å; K131-K133 VanDerWaalsContact C-N 3.31Å; K131-K133 PolarHBondContact O-N 3.49Å; K131-F134 WeakPolarHBondContact O-CB 3.39Å; K131-F134 PolarHBondContact O-N 3.03Å; K131-F134 VanDerWaalsContact O-N 3.08Å; K131-F135 HydrophobicContact CB-CE2 3.85Å; K131-F135 HydrophobicContact CB-CZ 4.02Å; K131-F135 VanDerWaalsContact O-CD2 3.22Å; K131-F135 WeakPolarHBondContact O-CD2 3.32Å; K131-F135 VanDerWaalsContact O-CG 3.27Å; K131-F135 WeakPolarHBondContact O-CG 3.22Å; K131-F135 PolarHBondContact O-N 3.15Å; K131-E250 IonicContact NZ-OE1 3.88Å; K131-E250 PolarHBondContact NZ-OE1 2.99Å; K131-Y251 HydrophobicContact CD-CD1 4.05Å; K131-Y251 HydrophobicContact CD-CE1 3.57Å; K131-Y251 PolarHBondContact NZ-OH 2.93Å
132D95.9Very high97.7Very high87 Ų8742.2 Ų42.247%0.46524%0.237SC..Hα-helixtrans-57.7-43.4175.4-67.5-26.4000111.2A128 F135 A136A128-D132 WeakPolarHBondContact O-CB 3.38Å; A128-D132 VanDerWaalsContact O-CG 3.23Å; A128-D132 PolarHBondContact O-N 3.04Å; D132-F135 PolarHBondContact O-N 3.3Å; D132-A136 WeakPolarHBondContact O-CB 3.18Å; D132-A136 PolarHBondContact O-N 3.01Å
133K97.7Very high97.6Very high73 Ų7347.4 Ų47.432%0.31726%0.26SS..Hα-helixtrans-59.3-47.1173.4-174.2-176.570.2163.70111.4P129 K131 A136 Y137 D228P129-K133 VanDerWaalsContact O-CB 3.24Å; P129-K133 WeakPolarHBondContact O-CB 3.36Å; P129-K133 PolarHBondContact O-N 2.93Å; K131-K133 VanDerWaalsContact C-N 3.31Å; K131-K133 PolarHBondContact O-N 3.49Å; K133-A136 PolarHBondContact O-N 3.3Å; K133-Y137 HydrophobicContact CD-CE2 3.78Å; K133-Y137 HydrophobicContact CG-CD1 4.15Å; K133-Y137 HydrophobicContact CG-CD2 4.05Å; K133-Y137 HydrophobicContact CG-CE1 3.78Å; K133-Y137 HydrophobicContact CG-CE2 3.65Å; K133-Y137 HydrophobicContact CG-CG 4.29Å; K133-Y137 WeakPolarHBondContact O-CB 3.03Å; K133-Y137 WeakPolarHBondContact O-CD1 3.22Å; K133-Y137 VanDerWaalsContact O-CG 3.24Å; K133-Y137 PolarHBondContact O-N 3.1Å; K133-D228 IonicContact NZ-OD2 2.71Å; K133-D228 PolarHBondContact NZ-OD2 3.01Å
134F98.2Very high97.6Very high4 Ų449.6 Ų49.62%0.01827%0.273CS..Hα-helixtrans-60.3-49.3179179.6-100.4000111.9E130 K131 A136 Y137 L138 F231 P234 M252 L387 L388E130-F134 WeakPolarHBondContact O-CB 3.48Å; E130-F134 PolarHBondContact O-N 3.04Å; K131-F134 WeakPolarHBondContact O-CB 3.39Å; K131-F134 PolarHBondContact O-N 3.03Å; K131-F134 VanDerWaalsContact O-N 3.08Å; F134-A136 PolarHBondContact O-N 3.34Å; F134-Y137 PolarHBondContact O-N 2.85Å; F134-L138 HydrophobicContact CD1-CD1 4.25Å; F134-L138 HydrophobicContact CE1-CD1 3.49Å; F134-L138 VanDerWaalsContact CE1-CD1 3.49Å; F134-L138 HydrophobicContact CE1-CG 4.08Å; F134-L138 HydrophobicContact CE2-CD1 4.4Å; F134-L138 HydrophobicContact CE2-CD2 4.32Å; F134-L138 HydrophobicContact CE2-CG 4.3Å; F134-L138 HydrophobicContact CZ-CD1 3.59Å; F134-L138 HydrophobicContact CZ-CD2 4.2Å; F134-L138 HydrophobicContact CZ-CG 3.97Å; F134-L138 WeakPolarHBondContact O-CG 3.27Å; F134-L138 PolarHBondContact O-N 3.18Å; F134-F231 AromaticContact CD2-CE2 3.64Å; F134-F231 HydrophobicContact CD2-CE2 3.64Å; F134-F231 AromaticContact CD2-CZ 3.79Å; F134-F231 HydrophobicContact CD2-CZ 3.79Å; F134-F231 HydrophobicContact CE2-CE2 4.19Å; F134-F231 AromaticContact CE2-CZ 3.85Å; F134-F231 HydrophobicContact CE2-CZ 3.85Å; F134-P234 HydrophobicContact CD1-CG 4.46Å; F134-P234 HydrophobicContact CD2-CG 4.14Å; F134-P234 HydrophobicContact CE1-CG 4.34Å; F134-P234 HydrophobicContact CE2-CG 4.04Å; F134-P234 HydrophobicContact CG-CG 4.38Å; F134-P234 HydrophobicContact CZ-CG 4.13Å; F134-M252 HydrophobicContact CD1-CE 4.48Å; F134-M252 HydrophobicContact CE1-CE 3.83Å; F134-L387 HydrophobicContact CZ-CD1 4.39Å; F134-L388 HydrophobicContact CE1-CD1 3.99Å; F134-L388 HydrophobicContact CZ-CD1 3.81Å
135F97.3Very high97.6Very high3 Ų349.8 Ų49.81%0.01328%0.278CS..Hα-helixtrans-64.8-39.7178.6-51.3-35.6000112.3I123 K131 D132 T139 M252 F268 F269I123-F135 HydrophobicContact CD1-CE1 4.3Å; I123-F135 HydrophobicContact CD1-CZ 4.42Å; K131-F135 HydrophobicContact CB-CE2 3.85Å; K131-F135 HydrophobicContact CB-CZ 4.02Å; K131-F135 VanDerWaalsContact O-CD2 3.22Å; K131-F135 WeakPolarHBondContact O-CD2 3.32Å; K131-F135 VanDerWaalsContact O-CG 3.27Å; K131-F135 WeakPolarHBondContact O-CG 3.22Å; K131-F135 PolarHBondContact O-N 3.15Å; D132-F135 PolarHBondContact O-N 3.3Å; F135-T139 WeakPolarHBondContact O-CB 3.47Å; F135-T139 PolarHBondContact O-N 2.64Å; F135-T139 PolarHBondContact O-OG1 2.89Å; F135-M252 HydrophobicContact CD1-SD 4.5Å; F135-M252 HydrophobicContact CE1-CE 4.04Å; F135-M252 HydrophobicContact CE1-SD 3.94Å; F135-F268 HydrophobicContact CB-CD2 4.1Å; F135-F268 HydrophobicContact CB-CE2 4.36Å; F135-F268 HydrophobicContact CB-CG 4.21Å; F135-F268 AromaticContact CD2-CD2 3.94Å; F135-F268 HydrophobicContact CD2-CD2 3.94Å; F135-F268 AromaticContact CD2-CE2 3.83Å; F135-F268 HydrophobicContact CD2-CE2 3.83Å; F135-F268 HydrophobicContact CG-CD2 4.26Å; F135-F268 HydrophobicContact CG-CE2 4.48Å; F135-F269 HydrophobicContact CB-CZ 4.34Å; F135-F269 HydrophobicContact CD1-CE2 4.1Å; F135-F269 AromaticContact CD1-CZ 3.79Å; F135-F269 HydrophobicContact CD1-CZ 3.79Å; F135-F269 HydrophobicContact CG-CZ 4.32Å
136A97.8Very high97.6Very high48 Ų4846.2 Ų46.240%0.39726%0.258SS..Hα-helixtrans-63.9-39.8175.400000112.2D132 K133 F134 T139 L140D132-A136 WeakPolarHBondContact O-CB 3.18Å; D132-A136 PolarHBondContact O-N 3.01Å; K133-A136 PolarHBondContact O-N 3.3Å; F134-A136 PolarHBondContact O-N 3.34Å; A136-T139 PolarHBondContact O-N 2.84Å; A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 PolarHBondContact O-N 3.38Å
137Y98.6Very high97.4Very high51 Ų5148.7 Ų48.720%0.228%0.278CS..Hα-helixtrans-72-39.5179.4-73.97.6000112.3K133 F134 T139 L140 A141 I222 T226 D228 F231K133-Y137 HydrophobicContact CD-CE2 3.78Å; K133-Y137 HydrophobicContact CG-CD1 4.15Å; K133-Y137 HydrophobicContact CG-CD2 4.05Å; K133-Y137 HydrophobicContact CG-CE1 3.78Å; K133-Y137 HydrophobicContact CG-CE2 3.65Å; K133-Y137 HydrophobicContact CG-CG 4.29Å; K133-Y137 WeakPolarHBondContact O-CB 3.03Å; K133-Y137 WeakPolarHBondContact O-CD1 3.22Å; K133-Y137 VanDerWaalsContact O-CG 3.24Å; K133-Y137 PolarHBondContact O-N 3.1Å; F134-Y137 PolarHBondContact O-N 2.85Å; Y137-T139 VanDerWaalsContact C-N 3.33Å; Y137-T139 PolarHBondContact O-N 3.48Å; Y137-L140 PolarHBondContact O-N 2.93Å; Y137-A141 WeakPolarHBondContact O-CB 3.19Å; Y137-A141 PolarHBondContact O-N 2.99Å; Y137-I222 HydrophobicContact CD2-CG2 4.19Å; Y137-I222 HydrophobicContact CG-CG2 4.47Å; Y137-T226 HydrophobicContact CD1-CG2 3.71Å; Y137-T226 HydrophobicContact CD2-CG2 3.62Å; Y137-T226 HydrophobicContact CE1-CG2 3.87Å; Y137-T226 HydrophobicContact CE2-CG2 3.81Å; Y137-T226 HydrophobicContact CG-CG2 3.58Å; Y137-D228 HydrophobicContact CE2-CB 3.81Å; Y137-F231 AromaticContact CD2-CD2 3.46Å; Y137-F231 HydrophobicContact CD2-CD2 3.46Å; Y137-F231 VanDerWaalsContact CD2-CD2 3.46Å; Y137-F231 AromaticContact CD2-CE2 3.87Å; Y137-F231 HydrophobicContact CD2-CE2 3.87Å; Y137-F231 HydrophobicContact CD2-CG 4.17Å; Y137-F231 HydrophobicContact CE2-CD2 4.09Å; Y137-F231 HydrophobicContact CG-CD2 4.49Å
138L98.5Very high97.3Very high0 Ų047.3 Ų47.30%027%0.266CS..Hα-helixtrans-60.7-43169.9-69.2-167.3000111.6F134 A141 K142 Y173 I222 F269 W272 P384 L387F134-L138 HydrophobicContact CD1-CD1 4.25Å; F134-L138 HydrophobicContact CE1-CD1 3.49Å; F134-L138 VanDerWaalsContact CE1-CD1 3.49Å; F134-L138 HydrophobicContact CE1-CG 4.08Å; F134-L138 HydrophobicContact CE2-CD1 4.4Å; F134-L138 HydrophobicContact CE2-CD2 4.32Å; F134-L138 HydrophobicContact CE2-CG 4.3Å; F134-L138 HydrophobicContact CZ-CD1 3.59Å; F134-L138 HydrophobicContact CZ-CD2 4.2Å; F134-L138 HydrophobicContact CZ-CG 3.97Å; F134-L138 WeakPolarHBondContact O-CG 3.27Å; F134-L138 PolarHBondContact O-N 3.18Å; L138-A141 PolarHBondContact O-N 2.9Å; L138-K142 WeakPolarHBondContact O-CB 3.27Å; L138-K142 PolarHBondContact O-N 2.91Å; L138-Y173 HydrophobicContact CD2-CD2 4.46Å; L138-Y173 HydrophobicContact CD2-CE2 4.3Å; L138-I222 HydrophobicContact CD2-CD1 3.87Å; L138-F269 HydrophobicContact CB-CE1 4.49Å; L138-F269 HydrophobicContact CD1-CE1 4.28Å; L138-F269 HydrophobicContact CD1-CZ 4.37Å; L138-W272 HydrophobicContact CB-CH2 4.11Å; L138-W272 HydrophobicContact CB-CZ2 4.36Å; L138-P384 HydrophobicContact CD1-CB 3.87Å; L138-L387 HydrophobicContact CD1-CD1 3.92Å; L138-L387 HydrophobicContact CD2-CD1 3.55Å; L138-L387 HydrophobicContact CG-CD1 4.4Å
139T97.1Very high97.3Very high34 Ų3444.9 Ų44.921%0.20924%0.244CC..Hα-helixtrans-65.8-38.5177.8-57.50000111.9F135 A136 Y137 K142 H143F135-T139 WeakPolarHBondContact O-CB 3.47Å; F135-T139 PolarHBondContact O-N 2.64Å; F135-T139 PolarHBondContact O-OG1 2.89Å; A136-T139 PolarHBondContact O-N 2.84Å; Y137-T139 VanDerWaalsContact C-N 3.33Å; Y137-T139 PolarHBondContact O-N 3.48Å; T139-K142 PolarHBondContact O-N 3.42Å; T139-H143 PolarHBondContact O-CD2 3.37Å; T139-H143 VanDerWaalsContact O-CD2 3.25Å; T139-H143 PolarHBondContact O-N 3.42Å; T139-H143 VanDerWaalsContact O-N 3.16Å
140L98.3Very high97.3Very high79 Ų7940.4 Ų40.441%0.41422%0.215SC..Hα-helixtrans-64.3-42.1173.7-172.463.2000111.3A136 Y137 K142 H143 T144 L225 T226A136-L140 WeakPolarHBondContact O-CB 3.46Å; A136-L140 PolarHBondContact O-N 3.38Å; Y137-L140 PolarHBondContact O-N 2.93Å; L140-K142 VanDerWaalsContact C-N 3.34Å; L140-H143 PolarHBondContact O-N 3.08Å; L140-T144 VanDerWaalsContact O-CB 3.26Å; L140-T144 WeakPolarHBondContact O-CB 3.46Å; L140-T144 PolarHBondContact O-N 3.28Å; L140-T144 PolarHBondContact O-OG1 3.47Å; L140-L225 HydrophobicContact CB-CD2 4.41Å; L140-L225 HydrophobicContact CD2-CD1 4.46Å; L140-L225 HydrophobicContact CD2-CD2 4.31Å; L140-L225 HydrophobicContact CD2-CG 4.11Å; L140-L225 HydrophobicContact CG-CD1 4.4Å; L140-L225 HydrophobicContact CG-CD2 4.03Å; L140-L225 HydrophobicContact CG-CG 4.25Å; L140-T226 HydrophobicContact CD2-CG2 4.17Å
141A98.6Very high97.2Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-64.5-37.2174.800000112.4Y137 L138 H143 N171 I172 Y173 I222 L225Y137-A141 WeakPolarHBondContact O-CB 3.19Å; Y137-A141 PolarHBondContact O-N 2.99Å; L138-A141 PolarHBondContact O-N 2.9Å; A141-H143 VanDerWaalsContact C-N 3.26Å; A141-H143 PolarHBondContact O-N 2.96Å; A141-N171 PolarHBondContact O-OD1 2.84Å; A141-I172 HydrophobicContact CB-CB 4.13Å; A141-I172 HydrophobicContact CB-CG2 4.06Å; A141-I172 PolarHBondContact O-N 3.42Å; A141-Y173 PolarHBondContact O-N 3.46Å; A141-I222 HydrophobicContact CB-CG1 4.19Å; A141-L225 HydrophobicContact CB-CD2 3.88Å
142K98Very high97.2Very high12 Ų1236.8 Ų36.85%0.05220%0.198CC..Hα-helixtrans-68.4-20.8176.3-173.161.9166169.90113.8L138 T139 L140 N171 Y173 D174 W272 Q273L138-K142 WeakPolarHBondContact O-CB 3.27Å; L138-K142 PolarHBondContact O-N 2.91Å; T139-K142 PolarHBondContact O-N 3.42Å; L140-K142 VanDerWaalsContact C-N 3.34Å; K142-N171 WeakPolarHBondContact CA-OD1 3.48Å; K142-N171 WeakPolarHBondContact O-CB 3.45Å; K142-N171 PolarHBondContact O-ND2 2.99Å; K142-N171 PolarHBondContact O-OD1 3.23Å; K142-Y173 HydrophobicContact CB-CG 4.44Å; K142-Y173 HydrophobicContact CD-CD1 4.1Å; K142-Y173 HydrophobicContact CD-CG 4.15Å; K142-D174 IonicContact NZ-OD1 3.74Å; K142-D174 PolarHBondContact NZ-OD1 2.78Å; K142-D174 IonicContact NZ-OD2 2.83Å; K142-D174 PolarHBondContact NZ-OD2 3.48Å; K142-W272 HydrophobicContact CB-CH2 3.99Å; K142-W272 HydrophobicContact CB-CZ2 3.72Å; K142-W272 HydrophobicContact CD-CD2 4.23Å; K142-W272 HydrophobicContact CD-CE3 4.08Å; K142-W272 HydrophobicContact CD-CZ3 4.24Å; K142-W272 HydrophobicContact CG-CD2 3.83Å; K142-W272 HydrophobicContact CG-CE3 4.13Å; K142-W272 HydrophobicContact CG-CG 4.32Å; K142-W272 HydrophobicContact CG-CH2 4.2Å; K142-W272 HydrophobicContact CG-CZ2 3.92Å; K142-W272 HydrophobicContact CG-CZ3 4.31Å; K142-Q273 WeakPolarHBondContact CE-O 3.35Å; K142-Q273 PolarHBondContact NZ-O 3.15Å
143H97.3Very high97.2Very high132 Ų13234.7 Ų34.761%0.61119%0.186SC*.Hα-helixtrans-113.9-6.1-179.9-66.6-52.2000115.2T139 L140 A141T139-H143 PolarHBondContact O-CD2 3.37Å; T139-H143 VanDerWaalsContact O-CD2 3.25Å; T139-H143 PolarHBondContact O-N 3.42Å; T139-H143 VanDerWaalsContact O-N 3.16Å; L140-H143 PolarHBondContact O-N 3.08Å; A141-H143 VanDerWaalsContact C-N 3.26Å; A141-H143 PolarHBondContact O-N 2.96Å
144T98.4Very high96.9Very high45 Ų4531.2 Ų31.228%0.27617%0.171SC..SBendtrans-100.7118.1177.9-53.10000111.1L140 S146 N171 I172 L225L140-T144 VanDerWaalsContact O-CB 3.26Å; L140-T144 WeakPolarHBondContact O-CB 3.46Å; L140-T144 PolarHBondContact O-N 3.28Å; L140-T144 PolarHBondContact O-OG1 3.47Å; T144-S146 PolarHBondContact O-N 3.47Å; T144-N171 CarbonylContact O-C 3.59Å; T144-N171 WeakPolarHBondContact O-CA 3.38Å; T144-N171 WeakPolarHBondContact O-CB 3.22Å; T144-I172 HydrophobicContact CG2-CD1 4.34Å; T144-I172 PolarHBondContact O-N 2.76Å; T144-L225 HydrophobicContact CG2-CD1 3.63Å
145I98Very high96.7Very high89 Ų8932.6 Ų32.646%0.45618%0.18SC..BIsolated β-bridgetrans-60.6130.5171.5-59.9-58.3000109.8S147 V150 D169 I170 N171I145-S147 PolarHBondContact O-N 2.9Å; I145-V150 HydrophobicContact CG2-CG1 4.41Å; I145-D169 HydrophobicContact CG2-CB 4.01Å; I145-I170 WeakPolarHBondContact CA-O 3.25Å; I145-N171 HydrophobicContact CD1-CB 4.5Å
146S96.8Very high96.4Very high2 Ų233.4 Ų33.41%0.01418%0.183CC..PPolyproline II helixtrans-66.8124.1179.3170.10000110.9R22 T144 D148 Y149 V150 I170R22-S146 PolarHBondContact NH2-O 2.98Å; T144-S146 PolarHBondContact O-N 3.47Å; S146-D148 VanDerWaalsContact C-N 3.26Å; S146-D148 PolarHBondContact O-N 3.06Å; S146-D148 PolarHBondContact OG-N 3.29Å; S146-Y149 WeakPolarHBondContact CB-O 3.31Å; S146-Y149 PolarHBondContact OG-N 2.94Å; S146-Y149 PolarHBondContact OG-O 3.5Å; S146-V150 WeakPolarHBondContact O-CG1 3.33Å; S146-I170 PolarHBondContact N-O 3.42Å
147S94.4Very high96.2Very high76 Ų7633.3 Ų33.353%0.53119%0.187SC..SBendtrans-67.1-28.8175.750.20000112.6R22 I145R22-S147 WeakPolarHBondContact CD-O 3.4Å; R22-S147 PolarHBondContact NE-O 3.25Å; I145-S147 PolarHBondContact O-N 2.9Å
148D94.6Very high95.9Very high29 Ų2934.4 Ų34.416%0.15519%0.194CC..SBendtrans-106.1-29.9-164.9-67.141.9000113.8P21 R22 F98 S146 K224P21-D148 CarbonylContact C-O 3.49Å; P21-D148 VanDerWaalsContact CA-O 3.31Å; P21-D148 WeakPolarHBondContact CA-O 3.47Å; R22-D148 PolarHBondContact N-O 3.25Å; F98-D148 HydrophobicContact CE1-CB 3.88Å; F98-D148 VanDerWaalsContact CE1-OD2 3.3Å; F98-D148 WeakPolarHBondContact CE1-OD2 3.18Å; F98-D148 HydrophobicContact CZ-CB 4.22Å; F98-D148 WeakPolarHBondContact CZ-OD2 3.42Å; S146-D148 VanDerWaalsContact C-N 3.26Å; S146-D148 PolarHBondContact O-N 3.06Å; S146-D148 PolarHBondContact OG-N 3.29Å; D148-K224 IonicContact OD1-NZ 2.79Å; D148-K224 PolarHBondContact OD1-NZ 3.02Å; D148-K224 IonicContact OD2-NZ 2.71Å; D148-K224 PolarHBondContact OD2-NZ 3.45Å
149Y96.6Very high95.7Very high9 Ų934.4 Ų34.44%0.03519%0.194CC..BIsolated β-bridgetrans-151.3124.2-162.7-59-70.1000112.4H19 P21 F98 S146 L175 E221 I430H19-Y149 WeakPolarHBondContact O-CA 3.25Å; H19-Y149 VanDerWaalsContact O-CB 3.25Å; H19-Y149 WeakPolarHBondContact O-CB 3.18Å; H19-Y149 VanDerWaalsContact O-CD1 3.23Å; H19-Y149 WeakPolarHBondContact O-CD1 3.09Å; P21-Y149 HydrophobicContact CG-CE1 4.3Å; F98-Y149 AromaticContact CD1-CE1 3.76Å; F98-Y149 HydrophobicContact CD1-CE1 3.76Å; F98-Y149 HydrophobicContact CD1-CE2 4.47Å; F98-Y149 AromaticContact CD1-CZ 3.67Å; F98-Y149 HydrophobicContact CE1-CE1 4.32Å; F98-Y149 HydrophobicContact CE1-CE2 4.49Å; S146-Y149 WeakPolarHBondContact CB-O 3.31Å; S146-Y149 PolarHBondContact OG-N 2.94Å; S146-Y149 PolarHBondContact OG-O 3.5Å; Y149-L175 HydrophobicContact CD2-CD2 4.33Å; Y149-L175 HydrophobicContact CG-CD2 4.38Å; Y149-L175 WeakPolarHBondContact O-CD1 3.45Å; Y149-E221 WeakPolarHBondContact CE2-OE1 3.47Å; Y149-I430 VanDerWaalsContact CE1-O 3.31Å; Y149-I430 WeakPolarHBondContact CE1-O 3.4Å; Y149-I430 PolarHBondContact OH-O 2.68Å
150V96.9Very high95.6Very high0 Ų039.4 Ų39.40%021%0.213CC..  trans-159.984.1-169.4-76.60000116.2A17 G18 H19 I145 S146 N168 I170A17-V150 VanDerWaalsContact C-CG2 3.46Å; A17-V150 CarbonylContact C-O 3.59Å; A17-V150 VanDerWaalsContact C-O 3.28Å; A17-V150 HydrophobicContact CB-CG2 3.74Å; A17-V150 WeakPolarHBondContact O-CG2 3.48Å; G18-V150 CarbonylContact C-O 3.37Å; G18-V150 WeakPolarHBondContact CA-O 3.43Å; G18-V150 PolarHBondContact N-O 3.11Å; G18-V150 CarbonylContact O-C 3.53Å; G18-V150 WeakPolarHBondContact O-CA 3.15Å; G18-V150 PolarHBondContact O-N 3.19Å; H19-V150 PolarHBondContact N-O 3.43Å; I145-V150 HydrophobicContact CG2-CG1 4.41Å; S146-V150 WeakPolarHBondContact O-CG1 3.33Å; V150-N168 CarbonylContact C-O 3.52Å; V150-N168 VanDerWaalsContact C-O 3.27Å; V150-N168 WeakPolarHBondContact CB-O 3.3Å; V150-I170 HydrophobicContact CB-CG2 4.24Å; V150-I170 HydrophobicContact CG1-CG2 4.08Å; V150-I170 VanDerWaalsContact CG1-N 3.26Å
151I97.3Very high95.4Very high0 Ų040.8 Ų40.80%022%0.22CC..  trans26128.5173.372.3161.5000124.8I153 F167 N168 I170 W178 N290 G291I151-I153 HydrophobicContact CD1-CG2 4.04Å; I151-I153 HydrophobicContact CG1-CG2 4.38Å; I151-F167 WeakPolarHBondContact O-CA 3.37Å; I151-F167 WeakPolarHBondContact O-CB 3.46Å; I151-N168 HydrophobicContact CD1-CB 3.9Å; I151-N168 HydrophobicContact CG1-CB 3.9Å; I151-N168 WeakPolarHBondContact CG1-O 3.12Å; I151-N168 PolarHBondContact O-N 3.44Å; I151-I170 HydrophobicContact CB-CD1 4.47Å; I151-I170 HydrophobicContact CD1-CD1 4.09Å; I151-I170 HydrophobicContact CG1-CB 4.31Å; I151-I170 HydrophobicContact CG1-CD1 4.25Å; I151-I170 HydrophobicContact CG2-CB 4.23Å; I151-I170 HydrophobicContact CG2-CD1 3.4Å; I151-I170 VanDerWaalsContact CG2-CD1 3.4Å; I151-I170 HydrophobicContact CG2-CG1 4.41Å; I151-I170 HydrophobicContact CG2-CG2 4.14Å; I151-W178 HydrophobicContact CB-CD2 3.99Å; I151-W178 HydrophobicContact CB-CG 3.97Å; I151-W178 HydrophobicContact CG2-CB 3.47Å; I151-W178 VanDerWaalsContact CG2-CB 3.47Å; I151-W178 VanDerWaalsContact CG2-CD1 3.45Å; I151-W178 HydrophobicContact CG2-CD2 3.46Å; I151-W178 VanDerWaalsContact CG2-CD2 3.46Å; I151-W178 HydrophobicContact CG2-CE3 4.02Å; I151-W178 HydrophobicContact CG2-CG 3.15Å; I151-N290 VanDerWaalsContact CD1-O 3.27Å; I151-N290 WeakPolarHBondContact CD1-O 3.29Å; I151-G291 VanDerWaalsContact CD1-N 3.34Å
152P95.5Very high95.1Very high0 Ų040.8 Ų40.80%022%0.22CC..BIsolated β-bridgetrans-75.1151.8154.134.1-36.5000112.4H19 F20 M159 F167 W178 L288H19-P152 VanDerWaalsContact CB-CD 3.43Å; F20-P152 HydrophobicContact CE2-CB 4.11Å; F20-P152 HydrophobicContact CE2-CG 3.9Å; P152-M159 HydrophobicContact CB-CE 3.82Å; P152-F167 VanDerWaalsContact CA-CD1 3.45Å; P152-F167 HydrophobicContact CB-CD1 3.61Å; P152-F167 HydrophobicContact CB-CE1 3.78Å; P152-W178 VanDerWaalsContact CD-CZ2 3.47Å; P152-W178 HydrophobicContact CG-CH2 3.4Å; P152-W178 HydrophobicContact CG-CZ2 3.4Å; P152-W178 HydrophobicContact CG-CZ3 4.36Å; P152-L288 HydrophobicContact CB-CD1 4.32Å; P152-L288 HydrophobicContact CG-CD1 4.2Å
153I94.6Very high95Very high42 Ų4242.5 Ų42.522%0.21523%0.234CC..  trans-123.210.8-17772.9-179.3000113.9I151 M166 N168 N290I151-I153 HydrophobicContact CD1-CG2 4.04Å; I151-I153 HydrophobicContact CG1-CG2 4.38Å; I153-M166 HydrophobicContact CG1-CB 4.07Å; I153-M166 PolarHBondContact N-O 3.24Å; I153-N168 HydrophobicContact CG2-CB 3.68Å; I153-N290 HydrophobicContact CB-CB 4.25Å; I153-N290 HydrophobicContact CG2-CB 4.1Å
154G92.4Very high95Very high0 Ų039 Ų390%022%0.222CC..SBendtrans-162.5164.2173.600000110.7M159 L288G154-M159 WeakPolarHBondContact O-CE 3.16Å; G154-L288 WeakPolarHBondContact O-CD1 3.45Å
155T92.9Very high94.9Very high33 Ų3339.4 Ų39.420%0.20223%0.226CC..  trans-71.4162.7179.7670000112.1D76 G157 Q158 M159 L188 L288D76-T155 WeakPolarHBondContact OD2-CA 3.43Å; D76-T155 WeakPolarHBondContact OD2-CB 3.49Å; T155-G157 PolarHBondContact O-N 2.95Å; T155-Q158 WeakPolarHBondContact O-CA 3.39Å; T155-Q158 WeakPolarHBondContact O-CB 3.32Å; T155-Q158 PolarHBondContact O-N 3.25Å; T155-Q158 WeakPolarHBondContact OG1-CG 2.87Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; T155-M159 WeakPolarHBondContact O-CG 3.27Å; T155-M159 PolarHBondContact O-N 3.16Å; T155-L188 HydrophobicContact CG2-CD1 4.38Å; T155-L288 HydrophobicContact CG2-CD2 4.46Å
156Y92.4Very high94.7Very high20 Ų2038 Ų388%0.07822%0.218CC..THydrogen-bonded Turntrans-59.4-32.5178.3-170.2-102.2000112.8L30 K33 D76 V83 F84 M159 N161L30-Y156 PolarHBondContact O-OH 3.38Å; K33-Y156 WeakPolarHBondContact CE-OH 3.34Å; D76-Y156 WeakPolarHBondContact OD1-CB 3.44Å; D76-Y156 PolarHBondContact OD1-N 2.94Å; D76-Y156 PolarHBondContact OD2-N 3.41Å; V83-Y156 VanDerWaalsContact CG1-CB 3.49Å; V83-Y156 HydrophobicContact CG1-CD1 3.77Å; V83-Y156 HydrophobicContact CG1-CD2 4.29Å; V83-Y156 HydrophobicContact CG1-CG 3.59Å; V83-Y156 WeakPolarHBondContact O-CE1 3.48Å; V83-Y156 WeakPolarHBondContact O-CE2 3.23Å; V83-Y156 VanDerWaalsContact O-CZ 3.23Å; F84-Y156 AromaticContact CD1-CD2 3.6Å; F84-Y156 HydrophobicContact CD1-CD2 3.6Å; F84-Y156 HydrophobicContact CD1-CE2 4.24Å; F84-Y156 AromaticContact CE1-CD2 3.79Å; F84-Y156 HydrophobicContact CE1-CD2 3.79Å; F84-Y156 HydrophobicContact CE1-CG 4.4Å; F84-Y156 HydrophobicContact CG-CD2 4.32Å; Y156-M159 PolarHBondContact O-N 3.35Å; Y156-N161 HydrophobicContact CD1-CB 4.45Å; Y156-N161 HydrophobicContact CE1-CB 3.8Å; Y156-N161 WeakPolarHBondContact O-CA 3.36Å; Y156-N161 PolarHBondContact O-N 3.37Å; Y156-N161 PolarHBondContact OH-O 3.32Å
157G92Very high94.7Very high46 Ų4638.4 Ų38.447%0.47422%0.219SC..THydrogen-bonded Turntrans-64.5-43.1170.700000113T155 M159 K160T155-G157 PolarHBondContact O-N 2.95Å; G157-M159 VanDerWaalsContact C-N 3.31Å; G157-M159 PolarHBondContact O-N 3.41Å; G157-K160 WeakPolarHBondContact O-CA 3.5Å; G157-K160 PolarHBondContact O-N 3.46Å
158Q93.3Very high94.8Very high75 Ų7537.2 Ų37.235%0.3521%0.207SC..THydrogen-bonded Turntrans-64.6-34.9174.4-70.3169.6-15.700112T155 K160 M166 Q286T155-Q158 WeakPolarHBondContact O-CA 3.39Å; T155-Q158 WeakPolarHBondContact O-CB 3.32Å; T155-Q158 PolarHBondContact O-N 3.25Å; T155-Q158 WeakPolarHBondContact OG1-CG 2.87Å; T155-Q158 PolarHBondContact OG1-N 3.03Å; Q158-K160 PolarHBondContact O-N 2.87Å; Q158-M166 HydrophobicContact CB-CE 4.46Å; Q158-M166 HydrophobicContact CB-SD 3.99Å; Q158-Q286 PolarHBondContact NE2-O 2.74Å
159M94.7Very high94.9Very high0 Ų039.2 Ų39.20%022%0.218CC..THydrogen-bonded Turntrans-67.96.8170-62-168.1-152.300114.3L30 F84 P152 G154 T155 Y156 G157 N161 G162 S163 T164 M166 F167L30-M159 HydrophobicContact CD1-SD 4.5Å; F84-M159 HydrophobicContact CE1-CE 4.41Å; P152-M159 HydrophobicContact CB-CE 3.82Å; G154-M159 WeakPolarHBondContact O-CE 3.16Å; T155-M159 WeakPolarHBondContact O-CG 3.27Å; T155-M159 PolarHBondContact O-N 3.16Å; Y156-M159 PolarHBondContact O-N 3.35Å; G157-M159 VanDerWaalsContact C-N 3.31Å; G157-M159 PolarHBondContact O-N 3.41Å; M159-N161 VanDerWaalsContact C-N 3.33Å; M159-N161 PolarHBondContact O-N 2.76Å; M159-G162 CarbonylContact O-C 3.27Å; M159-G162 PolarHBondContact O-N 2.94Å; M159-S163 PolarHBondContact O-N 3.19Å; M159-T164 CarbonylContact C-O 3.42Å; M159-T164 WeakPolarHBondContact CA-O 3.15Å; M159-T164 VanDerWaalsContact CB-O 3.28Å; M159-T164 WeakPolarHBondContact CB-O 3.48Å; M159-T164 CarbonylContact O-C 3.59Å; M159-T164 PolarHBondContact O-N 3.03Å; M159-M166 HydrophobicContact CE-CB 4.28Å; M159-M166 WeakPolarHBondContact CE-O 3.49Å; M159-M166 HydrophobicContact CG-CB 3.82Å; M159-M166 HydrophobicContact CG-CG 4.03Å; M159-M166 HydrophobicContact CG-SD 4.33Å; M159-M166 HydrophobicContact SD-CB 4.42Å; M159-F167 HydrophobicContact CE-CD1 4.16Å; M159-F167 HydrophobicContact CE-CE1 3.62Å; M159-F167 HydrophobicContact CE-CE2 4.24Å; M159-F167 HydrophobicContact CE-CZ 3.66Å; M159-F167 HydrophobicContact SD-CE1 4.07Å; M159-F167 HydrophobicContact SD-CE2 3.72Å; M159-F167 HydrophobicContact SD-CZ 3.44Å; M159-F167 WeakPolarHBondContact SD-CZ 3.23Å
160K95.3Very high94.9Very high139 Ų13939 Ų3960%0.60422%0.217SC*.THydrogen-bonded Turntrans51.153.3-175.5-58.1179.5-165.6162.70111G157 Q158 G162 S163G157-K160 WeakPolarHBondContact O-CA 3.5Å; G157-K160 PolarHBondContact O-N 3.46Å; Q158-K160 PolarHBondContact O-N 2.87Å; K160-G162 PolarHBondContact O-N 3.22Å; K160-S163 VanDerWaalsContact CB-OG 3.29Å; K160-S163 WeakPolarHBondContact CB-OG 3.16Å; K160-S163 WeakPolarHBondContact O-CB 3.28Å; K160-S163 PolarHBondContact O-N 3.29Å; K160-S163 PolarHBondContact O-OG 3.38Å
161N93Very high95Very high107 Ų10740.1 Ų40.157%0.57222%0.223SC*.THydrogen-bonded Turntrans54.149-177.7-58.6-21.3000112.7Y156 M159 S163Y156-N161 HydrophobicContact CD1-CB 4.45Å; Y156-N161 HydrophobicContact CE1-CB 3.8Å; Y156-N161 WeakPolarHBondContact O-CA 3.36Å; Y156-N161 PolarHBondContact O-N 3.37Å; Y156-N161 PolarHBondContact OH-O 3.32Å; M159-N161 VanDerWaalsContact C-N 3.33Å; M159-N161 PolarHBondContact O-N 2.76Å; N161-S163 PolarHBondContact O-N 3.18Å
162G92.9Very high95Very high0 Ų040.7 Ų40.70%023%0.226CC..THydrogen-bonded Turntrans81.4-15.5178.500000115.8S27 M159 K160 T164S27-G162 WeakPolarHBondContact CA-O 3.39Å; M159-G162 CarbonylContact O-C 3.27Å; M159-G162 PolarHBondContact O-N 2.94Å; K160-G162 PolarHBondContact O-N 3.22Å; G162-T164 VanDerWaalsContact C-N 3.26Å; G162-T164 PolarHBondContact O-N 3.03Å
163S96.4Very high95.2Very high49 Ų4940.7 Ų40.734%0.34323%0.226SC..THydrogen-bonded Turntrans-65.5-28.5-178.166.60000113.5S27 M159 K160 N161 P165S27-S163 PolarHBondContact OG-O 2.89Å; M159-S163 PolarHBondContact O-N 3.19Å; K160-S163 VanDerWaalsContact CB-OG 3.29Å; K160-S163 WeakPolarHBondContact CB-OG 3.16Å; K160-S163 WeakPolarHBondContact O-CB 3.28Å; K160-S163 PolarHBondContact O-N 3.29Å; K160-S163 PolarHBondContact O-OG 3.38Å; N161-S163 PolarHBondContact O-N 3.18Å; S163-P165 WeakPolarHBondContact O-CD 3.44Å
164T96.7Very high95.4Very high59 Ų5939 Ų3936%0.36222%0.217SC..SBendtrans-119.886.2175.9-52.20000110.2M159 G162 M166M159-T164 CarbonylContact C-O 3.42Å; M159-T164 WeakPolarHBondContact CA-O 3.15Å; M159-T164 VanDerWaalsContact CB-O 3.28Å; M159-T164 WeakPolarHBondContact CB-O 3.48Å; M159-T164 CarbonylContact O-C 3.59Å; M159-T164 PolarHBondContact O-N 3.03Å; G162-T164 VanDerWaalsContact C-N 3.26Å; G162-T164 PolarHBondContact O-N 3.03Å; T164-M166 PolarHBondContact O-N 3.45Å
165P95.3Very high95.7Very high53 Ų5339 Ų3934%0.34422%0.218SC..  trans-47.6132.2174.6-33.238.7000113.9L30 S163 F167L30-P165 HydrophobicContact CD1-CG 4.26Å; S163-P165 WeakPolarHBondContact O-CD 3.44Å; P165-F167 HydrophobicContact CB-CD2 3.77Å; P165-F167 HydrophobicContact CB-CE2 3.66Å
166M95.4Very high95.9Very high59 Ų5937.7 Ų37.729%0.29121%0.209SC..  trans-130.396.5175.9-67.4176.858.200111I153 Q158 M159 T164I153-M166 HydrophobicContact CG1-CB 4.07Å; I153-M166 PolarHBondContact N-O 3.24Å; Q158-M166 HydrophobicContact CB-CE 4.46Å; Q158-M166 HydrophobicContact CB-SD 3.99Å; M159-M166 HydrophobicContact CE-CB 4.28Å; M159-M166 WeakPolarHBondContact CE-O 3.49Å; M159-M166 HydrophobicContact CG-CB 3.82Å; M159-M166 HydrophobicContact CG-CG 4.03Å; M159-M166 HydrophobicContact CG-SD 4.33Å; M159-M166 HydrophobicContact SD-CB 4.42Å; T164-M166 PolarHBondContact O-N 3.45Å
167F95.7Very high96.2Very high11 Ų1136.7 Ų36.75%0.04821%0.205CC..BIsolated β-bridgetrans-152.3156.8-171.7-51.2-87.3000112.6S16 A17 G18 F20 V25 L30 I151 P152 M159 P165S16-F167 WeakPolarHBondContact CB-O 3.42Å; A17-F167 CarbonylContact O-C 3.48Å; A17-F167 WeakPolarHBondContact O-CB 3.49Å; G18-F167 VanDerWaalsContact CA-CB 3.49Å; F20-F167 HydrophobicContact CD2-CD1 4.21Å; F20-F167 AromaticContact CD2-CE1 3.54Å; F20-F167 HydrophobicContact CD2-CE1 3.54Å; F20-F167 HydrophobicContact CD2-CZ 4.42Å; F20-F167 AromaticContact CE2-CE1 3.73Å; F20-F167 HydrophobicContact CE2-CE1 3.73Å; V25-F167 HydrophobicContact CB-CD2 4.06Å; V25-F167 HydrophobicContact CB-CE1 4.44Å; V25-F167 HydrophobicContact CB-CE2 3.79Å; V25-F167 HydrophobicContact CB-CZ 3.99Å; V25-F167 HydrophobicContact CG1-CD1 4.42Å; V25-F167 HydrophobicContact CG1-CE1 4.08Å; V25-F167 HydrophobicContact CG1-CE2 4.3Å; V25-F167 HydrophobicContact CG1-CZ 4.02Å; L30-F167 HydrophobicContact CD1-CE2 3.71Å; L30-F167 HydrophobicContact CD1-CZ 3.75Å; L30-F167 HydrophobicContact CD2-CZ 4.42Å; I151-F167 WeakPolarHBondContact O-CA 3.37Å; I151-F167 WeakPolarHBondContact O-CB 3.46Å; P152-F167 VanDerWaalsContact CA-CD1 3.45Å; P152-F167 HydrophobicContact CB-CD1 3.61Å; P152-F167 HydrophobicContact CB-CE1 3.78Å; M159-F167 HydrophobicContact CE-CD1 4.16Å; M159-F167 HydrophobicContact CE-CE1 3.62Å; M159-F167 HydrophobicContact CE-CE2 4.24Å; M159-F167 HydrophobicContact CE-CZ 3.66Å; M159-F167 HydrophobicContact SD-CE1 4.07Å; M159-F167 HydrophobicContact SD-CE2 3.72Å; M159-F167 HydrophobicContact SD-CZ 3.44Å; M159-F167 WeakPolarHBondContact SD-CZ 3.23Å; P165-F167 HydrophobicContact CB-CD2 3.77Å; P165-F167 HydrophobicContact CB-CE2 3.66Å
168N96.3Very high96.6Very high50 Ų5034.6 Ų34.627%0.26718%0.183SC..  trans-134.8141.2-175.3-93.3-2.4000112.8A17 V150 I151 I153 N290A17-N168 CarbonylContact O-C 3.46Å; A17-N168 PolarHBondContact O-N 3.28Å; A17-N168 VanDerWaalsContact O-N 3.09Å; V150-N168 CarbonylContact C-O 3.52Å; V150-N168 VanDerWaalsContact C-O 3.27Å; V150-N168 WeakPolarHBondContact CB-O 3.3Å; I151-N168 HydrophobicContact CD1-CB 3.9Å; I151-N168 HydrophobicContact CG1-CB 3.9Å; I151-N168 WeakPolarHBondContact CG1-O 3.12Å; I151-N168 PolarHBondContact O-N 3.44Å; I153-N168 HydrophobicContact CG2-CB 3.68Å; N168-N290 PolarHBondContact ND2-O 3.3Å
169D97.1Very high96.8Very high72 Ų7231 Ų3139%0.38517%0.166SC..  trans-58.1139168.4-75.8-51.6000112.7R22 I145R22-D169 IonicContact CZ-OD1 2.7Å; R22-D169 IonicContact NH1-OD1 3.2Å; R22-D169 PolarHBondContact NH1-OD1 3.01Å; R22-D169 IonicContact NH2-OD1 3.32Å; R22-D169 PolarHBondContact NH2-OD1 3.41Å; I145-D169 HydrophobicContact CG2-CB 4.01Å
170I97.3Very high97Very high5 Ų531.1 Ų31.13%0.02617%0.167CC..  trans-136.9156.9176.2-150.3165.1000111.9I145 S146 V150 I151 D174 L175 W178I145-I170 WeakPolarHBondContact CA-O 3.25Å; S146-I170 PolarHBondContact N-O 3.42Å; V150-I170 HydrophobicContact CB-CG2 4.24Å; V150-I170 HydrophobicContact CG1-CG2 4.08Å; V150-I170 VanDerWaalsContact CG1-N 3.26Å; I151-I170 HydrophobicContact CB-CD1 4.47Å; I151-I170 HydrophobicContact CD1-CD1 4.09Å; I151-I170 HydrophobicContact CG1-CB 4.31Å; I151-I170 HydrophobicContact CG1-CD1 4.25Å; I151-I170 HydrophobicContact CG2-CB 4.23Å; I151-I170 HydrophobicContact CG2-CD1 3.4Å; I151-I170 VanDerWaalsContact CG2-CD1 3.4Å; I151-I170 HydrophobicContact CG2-CG1 4.41Å; I151-I170 HydrophobicContact CG2-CG2 4.14Å; I170-D174 VanDerWaalsContact CD1-C 3.49Å; I170-D174 HydrophobicContact CD1-CB 3.73Å; I170-D174 VanDerWaalsContact CD1-O 3.32Å; I170-D174 WeakPolarHBondContact CD1-O 3.49Å; I170-D174 HydrophobicContact CG1-CB 3.75Å; I170-L175 HydrophobicContact CG2-CB 3.81Å; I170-L175 HydrophobicContact CG2-CD1 3.95Å; I170-W178 HydrophobicContact CD1-CB 4.25Å
171N98.1Very high97.1Very high23 Ų2324.6 Ų24.612%0.12314%0.138CC..BIsolated β-bridgetrans-79.6157.3172.16877.4000112.1A141 K142 T144 I145 Y173 D174 L175A141-N171 PolarHBondContact O-OD1 2.84Å; K142-N171 WeakPolarHBondContact CA-OD1 3.48Å; K142-N171 WeakPolarHBondContact O-CB 3.45Å; K142-N171 PolarHBondContact O-ND2 2.99Å; K142-N171 PolarHBondContact O-OD1 3.23Å; T144-N171 CarbonylContact O-C 3.59Å; T144-N171 WeakPolarHBondContact O-CA 3.38Å; T144-N171 WeakPolarHBondContact O-CB 3.22Å; I145-N171 HydrophobicContact CD1-CB 4.5Å; N171-Y173 VanDerWaalsContact C-N 3.26Å; N171-Y173 PolarHBondContact O-N 2.84Å; N171-Y173 PolarHBondContact OD1-N 3.3Å; N171-D174 PolarHBondContact ND2-OD2 3Å; N171-D174 PolarHBondContact O-N 3.03Å; N171-D174 WeakPolarHBondContact OD1-CB 3.41Å; N171-D174 PolarHBondContact OD1-N 3.36Å; N171-D174 PolarHBondContact OD1-OD2 3.37Å; N171-L175 PolarHBondContact O-N 3.16Å
172I98.5Very high97.4Very high11 Ų1119.7 Ų19.76%0.05611%0.112CC..Hα-helixtrans-61.5-31.3-173.2-68.5164.5000112.4A141 T144 F176 E221 L225A141-I172 HydrophobicContact CB-CB 4.13Å; A141-I172 HydrophobicContact CB-CG2 4.06Å; A141-I172 PolarHBondContact O-N 3.42Å; T144-I172 HydrophobicContact CG2-CD1 4.34Å; T144-I172 PolarHBondContact O-N 2.76Å; I172-F176 WeakPolarHBondContact O-CD2 3.22Å; I172-E221 HydrophobicContact CG2-CB 3.81Å; I172-L225 HydrophobicContact CD1-CB 4.13Å; I172-L225 HydrophobicContact CD1-CD1 3.9Å; I172-L225 HydrophobicContact CD1-CD2 3.89Å; I172-L225 HydrophobicContact CD1-CG 4.19Å
173Y98.7Very high97.6Very high0 Ų019.7 Ų19.70%011%0.112CC..Hα-helixtrans-69.9-52.4174.3-168.4-75.8000111.1L138 A141 K142 N171 L175 F176 V177 W218 W272 A381 P384 L387L138-Y173 HydrophobicContact CD2-CD2 4.46Å; L138-Y173 HydrophobicContact CD2-CE2 4.3Å; A141-Y173 PolarHBondContact O-N 3.46Å; K142-Y173 HydrophobicContact CB-CG 4.44Å; K142-Y173 HydrophobicContact CD-CD1 4.1Å; K142-Y173 HydrophobicContact CD-CG 4.15Å; N171-Y173 VanDerWaalsContact C-N 3.26Å; N171-Y173 PolarHBondContact O-N 2.84Å; N171-Y173 PolarHBondContact OD1-N 3.3Å; Y173-L175 PolarHBondContact O-N 3.49Å; Y173-F176 PolarHBondContact O-N 2.92Å; Y173-F176 VanDerWaalsContact O-N 3.12Å; Y173-V177 HydrophobicContact CD1-CG2 3.81Å; Y173-V177 HydrophobicContact CE1-CG2 3.68Å; Y173-V177 PolarHBondContact O-N 3.3Å; Y173-W218 HydrophobicContact CD1-CH2 4.37Å; Y173-W218 AromaticContact CD1-CZ2 3.79Å; Y173-W218 HydrophobicContact CD1-CZ2 3.79Å; Y173-W218 AromaticContact CD2-CZ2 3.63Å; Y173-W218 HydrophobicContact CD2-CZ2 3.63Å; Y173-W218 AromaticContact CE1-CH2 3.86Å; Y173-W218 HydrophobicContact CE1-CH2 3.86Å; Y173-W218 AromaticContact CE1-CZ2 3.64Å; Y173-W218 HydrophobicContact CE1-CZ2 3.64Å; Y173-W218 HydrophobicContact CE2-CH2 4.2Å; Y173-W218 AromaticContact CE2-CZ2 3.49Å; Y173-W218 HydrophobicContact CE2-CZ2 3.49Å; Y173-W218 VanDerWaalsContact CE2-CZ2 3.49Å; Y173-W218 AromaticContact CG-CZ2 3.74Å; Y173-W218 HydrophobicContact CG-CZ2 3.74Å; Y173-W218 AromaticContact CZ-CH2 3.74Å; Y173-W218 AromaticContact CZ-CZ2 3.46Å; Y173-W218 VanDerWaalsContact CZ-CZ2 3.46Å; Y173-W218 WeakPolarHBondContact O-CZ2 3.47Å; Y173-W272 HydrophobicContact CD1-CZ3 4.07Å; Y173-W272 AromaticContact CD2-CH2 3.66Å; Y173-W272 HydrophobicContact CD2-CH2 3.66Å; Y173-W272 AromaticContact CD2-CZ3 3.86Å; Y173-W272 HydrophobicContact CD2-CZ3 3.86Å; Y173-W272 AromaticContact CE1-CZ3 3.83Å; Y173-W272 HydrophobicContact CE1-CZ3 3.83Å; Y173-W272 AromaticContact CE2-CH2 3.63Å; Y173-W272 HydrophobicContact CE2-CH2 3.63Å; Y173-W272 AromaticContact CE2-CZ3 3.59Å; Y173-W272 HydrophobicContact CE2-CZ3 3.59Å; Y173-W272 HydrophobicContact CG-CH2 4.2Å; Y173-W272 HydrophobicContact CG-CZ3 4.12Å; Y173-W272 AromaticContact CZ-CZ3 3.61Å; Y173-A381 VanDerWaalsContact CE1-O 3.27Å; Y173-A381 WeakPolarHBondContact CE1-O 3.14Å; Y173-A381 PolarHBondContact OH-O 3.45Å; Y173-P384 WeakPolarHBondContact OH-CA 3.17Å; Y173-L387 HydrophobicContact CE2-CD1 4.21Å
174D98.7Very high97.6Very high7 Ų717.5 Ų17.54%0.03710%0.096CC..Hα-helixtrans-73.2-15.3-174.3-67.9-25.7000113.7K142 I170 N171 F176 V177 W178 V275K142-D174 IonicContact NZ-OD1 3.74Å; K142-D174 PolarHBondContact NZ-OD1 2.78Å; K142-D174 IonicContact NZ-OD2 2.83Å; K142-D174 PolarHBondContact NZ-OD2 3.48Å; I170-D174 VanDerWaalsContact CD1-C 3.49Å; I170-D174 HydrophobicContact CD1-CB 3.73Å; I170-D174 VanDerWaalsContact CD1-O 3.32Å; I170-D174 WeakPolarHBondContact CD1-O 3.49Å; I170-D174 HydrophobicContact CG1-CB 3.75Å; N171-D174 PolarHBondContact ND2-OD2 3Å; N171-D174 PolarHBondContact O-N 3.03Å; N171-D174 WeakPolarHBondContact OD1-CB 3.41Å; N171-D174 PolarHBondContact OD1-N 3.36Å; N171-D174 PolarHBondContact OD1-OD2 3.37Å; D174-F176 VanDerWaalsContact C-N 3.3Å; D174-F176 PolarHBondContact O-N 2.99Å; D174-V177 PolarHBondContact O-N 2.83Å; D174-W178 WeakPolarHBondContact O-CB 3.5Å; D174-W178 PolarHBondContact O-N 2.71Å; D174-V275 HydrophobicContact CB-CG2 3.98Å
175L98.4Very high97.6Very high1 Ų114.9 Ų14.91%0.0058%0.08CC..Hα-helixtrans-52.6-50.1164.7-17965.4000111H19 Y149 I170 N171 Y173 W178 M179H19-L175 WeakPolarHBondContact ND1-CD1 3.45Å; Y149-L175 HydrophobicContact CD2-CD2 4.33Å; Y149-L175 HydrophobicContact CG-CD2 4.38Å; Y149-L175 WeakPolarHBondContact O-CD1 3.45Å; I170-L175 HydrophobicContact CG2-CB 3.81Å; I170-L175 HydrophobicContact CG2-CD1 3.95Å; N171-L175 PolarHBondContact O-N 3.16Å; Y173-L175 PolarHBondContact O-N 3.49Å; L175-W178 PolarHBondContact O-N 3.06Å; L175-M179 HydrophobicContact CG-SD 4.4Å; L175-M179 VanDerWaalsContact O-CG 3.28Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 2.89Å
176F98.6Very high97.6Very high4 Ų412.8 Ų12.82%0.0187%0.066CC..Hα-helixtrans-73.8-34.4-178.8-67.6-75.3000112.1I172 Y173 D174 W178 M179 H180 F214 R217 W218 E221I172-F176 WeakPolarHBondContact O-CD2 3.22Å; Y173-F176 PolarHBondContact O-N 2.92Å; Y173-F176 VanDerWaalsContact O-N 3.12Å; D174-F176 VanDerWaalsContact C-N 3.3Å; D174-F176 PolarHBondContact O-N 2.99Å; F176-W178 VanDerWaalsContact C-N 3.33Å; F176-W178 PolarHBondContact O-N 3.33Å; F176-M179 HydrophobicContact CD1-CE 4.4Å; F176-M179 HydrophobicContact CD1-SD 3.66Å; F176-M179 HydrophobicContact CE1-CE 4.44Å; F176-M179 HydrophobicContact CE1-SD 3.87Å; F176-M179 HydrophobicContact CG-SD 4.45Å; F176-M179 PolarHBondContact O-N 3.42Å; F176-H180 PolarHBondContact O-N 2.82Å; F176-F214 HydrophobicContact CB-CE2 3.82Å; F176-F214 HydrophobicContact CB-CZ 3.72Å; F176-F214 HydrophobicContact CD1-CD2 4.09Å; F176-F214 AromaticContact CD1-CE2 3.82Å; F176-F214 HydrophobicContact CD1-CE2 3.82Å; F176-F214 HydrophobicContact CD1-CZ 4.41Å; F176-F214 HydrophobicContact CG-CE2 4.32Å; F176-F214 WeakPolarHBondContact O-CE2 3.47Å; F176-F214 VanDerWaalsContact O-CZ 3.26Å; F176-F214 WeakPolarHBondContact O-CZ 3.38Å; F176-R217 HydrophobicContact CE1-CB 3.6Å; F176-R217 HydrophobicContact CZ-CB 4.02Å; F176-W218 HydrophobicContact CB-CD2 3.47Å; F176-W218 VanDerWaalsContact CB-CD2 3.47Å; F176-W218 HydrophobicContact CB-CE3 3.36Å; F176-W218 HydrophobicContact CB-CG 4.21Å; F176-W218 HydrophobicContact CB-CH2 3.69Å; F176-W218 HydrophobicContact CB-CZ2 3.75Å; F176-W218 HydrophobicContact CB-CZ3 3.49Å; F176-W218 VanDerWaalsContact CB-CZ3 3.49Å; F176-W218 HydrophobicContact CD1-CB 4.12Å; F176-W218 HydrophobicContact CD1-CD2 4.24Å; F176-W218 HydrophobicContact CD1-CE3 4.32Å; F176-W218 HydrophobicContact CD1-CG 4.21Å; F176-W218 HydrophobicContact CD2-CB 4.04Å; F176-W218 AromaticContact CD2-CD1 3.44Å; F176-W218 VanDerWaalsContact CD2-CD1 3.44Å; F176-W218 AromaticContact CD2-CD2 3.59Å; F176-W218 HydrophobicContact CD2-CD2 3.59Å; F176-W218 AromaticContact CD2-CE2 3.68Å; F176-W218 HydrophobicContact CD2-CE3 4.33Å; F176-W218 AromaticContact CD2-CG 3.44Å; F176-W218 HydrophobicContact CD2-CG 3.44Å; F176-W218 VanDerWaalsContact CD2-CG 3.44Å; F176-W218 HydrophobicContact CD2-CZ2 4.44Å; F176-W218 AromaticContact CD2-NE1 3.57Å; F176-W218 HydrophobicContact CE1-CB 4.16Å; F176-W218 HydrophobicContact CE2-CB 4.08Å; F176-W218 AromaticContact CE2-CD1 3.74Å; F176-W218 HydrophobicContact CE2-CD2 4.46Å; F176-W218 AromaticContact CE2-CG 3.86Å; F176-W218 HydrophobicContact CE2-CG 3.86Å; F176-W218 HydrophobicContact CG-CB 4.09Å; F176-W218 AromaticContact CG-CD2 3.48Å; F176-W218 HydrophobicContact CG-CD2 3.48Å; F176-W218 VanDerWaalsContact CG-CD2 3.48Å; F176-W218 AromaticContact CG-CE2 3.88Å; F176-W218 AromaticContact CG-CE3 3.75Å; F176-W218 HydrophobicContact CG-CE3 3.75Å; F176-W218 AromaticContact CG-CG 3.66Å; F176-W218 HydrophobicContact CG-CG 3.66Å; F176-W218 HydrophobicContact CG-CZ2 4.45Å; F176-W218 HydrophobicContact CG-CZ3 4.38Å; F176-W218 HydrophobicContact CZ-CB 4.15Å; F176-W218 HydrophobicContact CZ-CG 4.4Å; F176-E221 HydrophobicContact CE2-CB 4.19Å; F176-E221 HydrophobicContact CE2-CG 4.12Å; F176-E221 HydrophobicContact CZ-CB 4.35Å; F176-E221 HydrophobicContact CZ-CG 3.86Å
177V98.8Very high97.6Very high0 Ų010 Ų100%05%0.052CC..Hα-helixtrans-55.9-49.5168.9-178.60000110.9Y173 D174 M179 H180 Y181 W218 V275 A381 N382Y173-V177 HydrophobicContact CD1-CG2 3.81Å; Y173-V177 HydrophobicContact CE1-CG2 3.68Å; Y173-V177 PolarHBondContact O-N 3.3Å; D174-V177 PolarHBondContact O-N 2.83Å; V177-M179 PolarHBondContact O-N 3.18Å; V177-H180 PolarHBondContact O-N 2.9Å; V177-Y181 PolarHBondContact O-N 3.22Å; V177-W218 HydrophobicContact CG2-CH2 4.49Å; V177-V275 HydrophobicContact CB-CG2 4.13Å; V177-V275 HydrophobicContact CG1-CG2 3.7Å; V177-A381 HydrophobicContact CG2-CB 4.27Å; V177-N382 HydrophobicContact CG1-CB 4.49Å; V177-N382 VanDerWaalsContact CG1-CG 3.46Å; V177-N382 WeakPolarHBondContact CG1-ND2 3.1Å
178W98.6Very high97.5Very high1 Ų110.4 Ų10.40%0.0046%0.055CC..Hα-helixtrans-64.8-38.2178.9-17799.1000112.3H19 I151 P152 I170 D174 L175 F176 H180 Y181 Y182 L288 C289 P428H19-W178 HydrophobicContact CB-CE3 4.2Å; H19-W178 HydrophobicContact CB-CH2 4.48Å; H19-W178 HydrophobicContact CB-CZ3 3.84Å; H19-W178 AromaticContact CG-CZ3 3.77Å; I151-W178 HydrophobicContact CB-CD2 3.99Å; I151-W178 HydrophobicContact CB-CG 3.97Å; I151-W178 HydrophobicContact CG2-CB 3.47Å; I151-W178 VanDerWaalsContact CG2-CB 3.47Å; I151-W178 VanDerWaalsContact CG2-CD1 3.45Å; I151-W178 HydrophobicContact CG2-CD2 3.46Å; I151-W178 VanDerWaalsContact CG2-CD2 3.46Å; I151-W178 HydrophobicContact CG2-CE3 4.02Å; I151-W178 HydrophobicContact CG2-CG 3.15Å; P152-W178 VanDerWaalsContact CD-CZ2 3.47Å; P152-W178 HydrophobicContact CG-CH2 3.4Å; P152-W178 HydrophobicContact CG-CZ2 3.4Å; P152-W178 HydrophobicContact CG-CZ3 4.36Å; I170-W178 HydrophobicContact CD1-CB 4.25Å; D174-W178 WeakPolarHBondContact O-CB 3.5Å; D174-W178 PolarHBondContact O-N 2.71Å; L175-W178 PolarHBondContact O-N 3.06Å; F176-W178 VanDerWaalsContact C-N 3.33Å; F176-W178 PolarHBondContact O-N 3.33Å; W178-H180 VanDerWaalsContact C-N 3.32Å; W178-H180 PolarHBondContact O-N 3.12Å; W178-Y181 HydrophobicContact CG-CD1 4.38Å; W178-Y181 WeakPolarHBondContact O-CB 3.49Å; W178-Y181 PolarHBondContact O-N 3Å; W178-Y182 AromaticContact CH2-CD1 3.71Å; W178-Y182 HydrophobicContact CH2-CD1 3.71Å; W178-Y182 AromaticContact CH2-CD2 3.34Å; W178-Y182 HydrophobicContact CH2-CD2 3.34Å; W178-Y182 HydrophobicContact CH2-CE1 4.18Å; W178-Y182 AromaticContact CH2-CE2 3.89Å; W178-Y182 HydrophobicContact CH2-CE2 3.89Å; W178-Y182 AromaticContact CH2-CG 3.22Å; W178-Y182 HydrophobicContact CH2-CG 3.22Å; W178-Y182 AromaticContact CZ2-CD2 3.44Å; W178-Y182 HydrophobicContact CZ2-CD2 3.44Å; W178-Y182 VanDerWaalsContact CZ2-CD2 3.44Å; W178-Y182 HydrophobicContact CZ2-CE2 4.1Å; W178-Y182 AromaticContact CZ2-CG 3.73Å; W178-Y182 HydrophobicContact CZ2-CG 3.73Å; W178-Y182 HydrophobicContact CZ3-CD1 4.08Å; W178-Y182 HydrophobicContact CZ3-CD2 4.34Å; W178-Y182 AromaticContact CZ3-CG 3.79Å; W178-Y182 HydrophobicContact CZ3-CG 3.79Å; W178-Y182 WeakPolarHBondContact O-CB 3.28Å; W178-Y182 PolarHBondContact O-N 2.85Å; W178-L288 HydrophobicContact CZ2-CD1 4.48Å; W178-C289 PolarHBondContact NE1-O 2.93Å; W178-P428 HydrophobicContact CZ3-CG 4.14Å
179M98.5Very high97.2Very high1 Ų110.1 Ų10.11%0.0055%0.053CC..Hα-helixtrans-59.8-42174.3-71.6170.568.500112H19 L175 F176 V177 Y182 V183 F214 P428 F429H19-M179 WeakPolarHBondContact CE1-CE 3.21Å; H19-M179 WeakPolarHBondContact CE1-CG 3.42Å; H19-M179 PolarHBondContact CE1-SD 2.62Å; L175-M179 HydrophobicContact CG-SD 4.4Å; L175-M179 VanDerWaalsContact O-CG 3.28Å; L175-M179 WeakPolarHBondContact O-CG 3.43Å; L175-M179 PolarHBondContact O-N 2.89Å; F176-M179 HydrophobicContact CD1-CE 4.4Å; F176-M179 HydrophobicContact CD1-SD 3.66Å; F176-M179 HydrophobicContact CE1-CE 4.44Å; F176-M179 HydrophobicContact CE1-SD 3.87Å; F176-M179 HydrophobicContact CG-SD 4.45Å; F176-M179 PolarHBondContact O-N 3.42Å; V177-M179 PolarHBondContact O-N 3.18Å; M179-Y182 PolarHBondContact O-N 3.35Å; M179-V183 PolarHBondContact O-N 2.79Å; M179-F214 HydrophobicContact CB-CE2 4.08Å; M179-F214 HydrophobicContact CE-CD2 4.49Å; M179-P428 HydrophobicContact CB-CG 4.2Å; M179-P428 HydrophobicContact CG-CG 4.01Å; M179-F429 HydrophobicContact CE-CD1 3.43Å; M179-F429 VanDerWaalsContact CE-CD1 3.43Å; M179-F429 HydrophobicContact CE-CE1 3.3Å; M179-F429 HydrophobicContact CE-CG 4.19Å; M179-F429 HydrophobicContact CE-CZ 4Å
180H98.6Very high96.6Very high2 Ų28.1 Ų8.11%0.0095%0.05CC..Hα-helixtrans-68.3-39.3177.7-166.5-93.4000112.4F176 V177 W178 V183 S184 H202 W210 H211 F214 V377 Q378 S380 A381 F386F176-H180 PolarHBondContact O-N 2.82Å; V177-H180 PolarHBondContact O-N 2.9Å; W178-H180 VanDerWaalsContact C-N 3.32Å; W178-H180 PolarHBondContact O-N 3.12Å; H180-V183 WeakPolarHBondContact O-CG2 3.47Å; H180-S184 PolarHBondContact O-N 3.44Å; H180-S184 PolarHBondContact O-OG 3.36Å; H180-H202 AromaticContact NE2-CE1 3.44Å; H180-H202 PolarHBondContact NE2-CE1 2.92Å; H180-H202 AromaticContact NE2-NE2 3.43Å; H180-H202 PolarHBondContact NE2-NE2 3.48Å; H180-W210 AromaticContact CD2-CZ3 3.93Å; H180-H211 AromaticContact CD2-NE2 3.73Å; H180-F214 HydrophobicContact CB-CE2 4.45Å; H180-F214 HydrophobicContact CB-CZ 4.07Å; H180-V377 VanDerWaalsContact CE1-C 3.42Å; H180-V377 PolarHBondContact CE1-O 3.02Å; H180-V377 PolarHBondContact ND1-O 2.73Å; H180-V377 VanDerWaalsContact NE2-C 3.32Å; H180-V377 WeakPolarHBondContact NE2-CG1 3.49Å; H180-V377 PolarHBondContact NE2-O 2.86Å; H180-Q378 PolarHBondContact CE1-O 3.17Å; H180-S380 PolarHBondContact NE2-OG 3.14Å; H180-A381 HydrophobicContact CB-CB 4.07Å; H180-F386 AromaticContact CD2-CE2 3.94Å; H180-F386 AromaticContact CD2-CZ 3.61Å
181Y98.5Very high95.5Very high1 Ų111.7 Ų11.70%0.0049%0.087CC..Hα-helixtrans-58.6-46.9168152.7-100.3000112V177 W178 V183 S184 M185 C276 Y282 L288 C289 Q378V177-Y181 PolarHBondContact O-N 3.22Å; W178-Y181 HydrophobicContact CG-CD1 4.38Å; W178-Y181 WeakPolarHBondContact O-CB 3.49Å; W178-Y181 PolarHBondContact O-N 3Å; Y181-V183 VanDerWaalsContact C-N 3.31Å; Y181-V183 PolarHBondContact O-N 3.23Å; Y181-S184 CarbonylContact O-C 3.57Å; Y181-S184 PolarHBondContact O-N 2.84Å; Y181-S184 VanDerWaalsContact O-N 3.08Å; Y181-S184 PolarHBondContact O-OG 3.19Å; Y181-M185 HydrophobicContact CD2-CB 4.22Å; Y181-M185 HydrophobicContact CE1-SD 4.05Å; Y181-M185 HydrophobicContact CE2-CB 3.71Å; Y181-M185 HydrophobicContact CE2-CG 4.49Å; Y181-M185 HydrophobicContact CE2-SD 4.39Å; Y181-M185 WeakPolarHBondContact O-CB 3.31Å; Y181-M185 PolarHBondContact O-N 3.17Å; Y181-M185 PolarHBondContact OH-SD 2.94Å; Y181-C276 HydrophobicContact CD1-CB 4.11Å; Y181-C276 HydrophobicContact CD2-CB 4.07Å; Y181-C276 HydrophobicContact CG-CB 3.62Å; Y181-Y282 HydrophobicContact CD2-CE2 4.31Å; Y181-Y282 AromaticContact CE2-CD2 3.56Å; Y181-Y282 HydrophobicContact CE2-CD2 3.56Å; Y181-Y282 AromaticContact CE2-CE2 3.75Å; Y181-Y282 HydrophobicContact CE2-CE2 3.75Å; Y181-Y282 AromaticContact CZ-CD2 3.87Å; Y181-L288 WeakPolarHBondContact OH-CA 3.32Å; Y181-C289 HydrophobicContact CD1-CB 3.58Å; Y181-C289 HydrophobicContact CD2-CB 4.5Å; Y181-C289 HydrophobicContact CE1-CB 3.27Å; Y181-C289 HydrophobicContact CE2-CB 4.27Å; Y181-C289 HydrophobicContact CG-CB 4.2Å; Y181-C289 PolarHBondContact OH-N 3.22Å; Y181-Q378 HydrophobicContact CD2-CB 4.16Å; Y181-Q378 HydrophobicContact CD2-CG 4.4Å
182Y98.2Very high94.7Very high4 Ų415.1 Ų15.12%0.01611%0.113CC..Hα-helixtrans-72-21.7-171.7-173-103.5000113.8R77 W80 W178 M179 M185 L288 V427 P428R77-Y182 WeakPolarHBondContact CD-O 3.36Å; R77-Y182 HydrophobicContact CG-CD1 4.34Å; R77-Y182 HydrophobicContact CG-CE1 3.57Å; R77-Y182 PolarHBondContact NH1-O 3.34Å; W80-Y182 HydrophobicContact CZ3-CE1 4.3Å; W178-Y182 AromaticContact CH2-CD1 3.71Å; W178-Y182 HydrophobicContact CH2-CD1 3.71Å; W178-Y182 AromaticContact CH2-CD2 3.34Å; W178-Y182 HydrophobicContact CH2-CD2 3.34Å; W178-Y182 HydrophobicContact CH2-CE1 4.18Å; W178-Y182 AromaticContact CH2-CE2 3.89Å; W178-Y182 HydrophobicContact CH2-CE2 3.89Å; W178-Y182 AromaticContact CH2-CG 3.22Å; W178-Y182 HydrophobicContact CH2-CG 3.22Å; W178-Y182 AromaticContact CZ2-CD2 3.44Å; W178-Y182 HydrophobicContact CZ2-CD2 3.44Å; W178-Y182 VanDerWaalsContact CZ2-CD2 3.44Å; W178-Y182 HydrophobicContact CZ2-CE2 4.1Å; W178-Y182 AromaticContact CZ2-CG 3.73Å; W178-Y182 HydrophobicContact CZ2-CG 3.73Å; W178-Y182 HydrophobicContact CZ3-CD1 4.08Å; W178-Y182 HydrophobicContact CZ3-CD2 4.34Å; W178-Y182 AromaticContact CZ3-CG 3.79Å; W178-Y182 HydrophobicContact CZ3-CG 3.79Å; W178-Y182 WeakPolarHBondContact O-CB 3.28Å; W178-Y182 PolarHBondContact O-N 2.85Å; M179-Y182 PolarHBondContact O-N 3.35Å; Y182-M185 HydrophobicContact CD2-SD 3.76Å; Y182-M185 HydrophobicContact CE2-SD 4.22Å; Y182-L288 HydrophobicContact CE2-CD1 4.07Å; Y182-L288 HydrophobicContact CE2-CD2 4.3Å; Y182-V427 HydrophobicContact CD1-CG1 4.1Å; Y182-V427 HydrophobicContact CE1-CG1 4Å; Y182-P428 HydrophobicContact CD1-CB 3.65Å; Y182-P428 HydrophobicContact CD1-CG 3.89Å; Y182-P428 HydrophobicContact CE1-CB 3.88Å
183V97.8Very high94.3Very high0 Ų020.9 Ų20.90%014%0.14CC..Hα-helixtrans-80.4-25.9168.9-66.40000113.8M179 H180 Y181 D199 F200 A201 W210 V427M179-V183 PolarHBondContact O-N 2.79Å; H180-V183 WeakPolarHBondContact O-CG2 3.47Å; Y181-V183 VanDerWaalsContact C-N 3.31Å; Y181-V183 PolarHBondContact O-N 3.23Å; V183-D199 WeakPolarHBondContact O-CA 3.5Å; V183-F200 HydrophobicContact CB-CB 3.99Å; V183-F200 HydrophobicContact CG1-CB 4.09Å; V183-F200 PolarHBondContact O-N 3.4Å; V183-A201 HydrophobicContact CB-CB 3.75Å; V183-A201 HydrophobicContact CG1-CB 4.26Å; V183-A201 HydrophobicContact CG2-CB 3.43Å; V183-A201 VanDerWaalsContact CG2-CB 3.43Å; V183-W210 HydrophobicContact CB-CZ2 4.29Å; V183-W210 HydrophobicContact CG1-CZ2 3.59Å; V183-W210 HydrophobicContact CG2-CH2 4.01Å; V183-W210 HydrophobicContact CG2-CZ2 3.76Å; V183-V427 HydrophobicContact CG1-CB 4.14Å; V183-V427 HydrophobicContact CG1-CG1 4.31Å; V183-V427 WeakPolarHBondContact CG1-O 3.1Å
184S96.8Very high94.1Very high3 Ų322.8 Ų22.82%0.02115%0.15CC..Hα-helixtrans-109.97.3-17460.10000114.5H180 Y181 D199 Q378H180-S184 PolarHBondContact O-N 3.44Å; H180-S184 PolarHBondContact O-OG 3.36Å; Y181-S184 CarbonylContact O-C 3.57Å; Y181-S184 PolarHBondContact O-N 2.84Å; Y181-S184 VanDerWaalsContact O-N 3.08Å; Y181-S184 PolarHBondContact O-OG 3.19Å; S184-D199 VanDerWaalsContact CA-OD2 3.25Å; S184-D199 WeakPolarHBondContact CA-OD2 3.31Å; S184-D199 WeakPolarHBondContact CB-OD2 3.49Å; S184-Q378 PolarHBondContact O-NE2 3.31Å; S184-Q378 WeakPolarHBondContact OG-CA 3.32Å
185M95.4Very high93.9Very high5 Ų526.1 Ų26.13%0.02516%0.162CC..SBendtrans-80.7146.3172.964.9167-8000112.2R77 Y181 Y182 L188 L279 L288R77-M185 VanDerWaalsContact CZ-O 3.31Å; R77-M185 VanDerWaalsContact NH1-CG 3.3Å; R77-M185 PolarHBondContact NH1-O 3.46Å; R77-M185 PolarHBondContact NH2-O 3Å; Y181-M185 HydrophobicContact CD2-CB 4.22Å; Y181-M185 HydrophobicContact CE1-SD 4.05Å; Y181-M185 HydrophobicContact CE2-CB 3.71Å; Y181-M185 HydrophobicContact CE2-CG 4.49Å; Y181-M185 HydrophobicContact CE2-SD 4.39Å; Y181-M185 WeakPolarHBondContact O-CB 3.31Å; Y181-M185 PolarHBondContact O-N 3.17Å; Y181-M185 PolarHBondContact OH-SD 2.94Å; Y182-M185 HydrophobicContact CD2-SD 3.76Å; Y182-M185 HydrophobicContact CE2-SD 4.22Å; M185-L188 HydrophobicContact CE-CD1 4.02Å; M185-L188 HydrophobicContact CE-CG 4.01Å; M185-L279 HydrophobicContact CB-CD1 4.15Å; M185-L288 HydrophobicContact CE-CD2 3.7Å; M185-L288 HydrophobicContact SD-CD2 3.7Å
186D96.4Very high93.8Very high9 Ų932.7 Ų32.75%0.04819%0.187CC..PPolyproline II helixtrans-56.4149.8173.3-59.2-30.2000111.6W195 R196 N283D186-W195 WeakPolarHBondContact CA-O 3.27Å; D186-W195 WeakPolarHBondContact CB-O 3.43Å; D186-R196 WeakPolarHBondContact OD1-CA 3.27Å; D186-R196 WeakPolarHBondContact OD1-CG 3.41Å; D186-R196 IonicContact OD2-NE 2.73Å; D186-N283 PolarHBondContact OD2-ND2 3.05Å
187A95.7Very high93.5Very high0 Ų036 Ų360%020%0.204CC..EExtended strand (participates in β ladder)trans-78.2128.9172.900000110.7F69 D75 L189 I194 W195 I198F69-A187 HydrophobicContact CE2-CB 4.03Å; F69-A187 HydrophobicContact CZ-CB 4.36Å; D75-A187 HydrophobicContact CB-CB 4.18Å; D75-A187 WeakPolarHBondContact OD2-CA 3.46Å; D75-A187 VanDerWaalsContact OD2-CB 3.26Å; D75-A187 WeakPolarHBondContact OD2-CB 3.29Å; A187-L189 PolarHBondContact O-N 2.97Å; A187-I194 CarbonylContact O-C 3.58Å; A187-I194 VanDerWaalsContact O-CA 3.28Å; A187-I194 WeakPolarHBondContact O-CA 3.47Å; A187-W195 HydrophobicContact CB-CB 4.31Å; A187-W195 PolarHBondContact N-O 3Å; A187-W195 PolarHBondContact O-N 2.91Å; A187-I198 HydrophobicContact CB-CD1 4.46Å; A187-I198 HydrophobicContact CB-CG2 4.07Å
188L93Very high93.3Very high19 Ų1936.5 Ų36.510%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-90.797.8-175.2-57178.5000110.3T155 M185 G190 I194T155-L188 HydrophobicContact CG2-CD1 4.38Å; M185-L188 HydrophobicContact CE-CD1 4.02Å; M185-L188 HydrophobicContact CE-CG 4.01Å; L188-G190 VanDerWaalsContact C-N 3.25Å; L188-G190 PolarHBondContact O-N 2.64Å; L188-I194 HydrophobicContact CD2-CG2 3.88Å
189L90.6Very high93.3Very high44 Ų4437.5 Ų37.523%0.2321%0.213CC..EExtended strand (participates in β ladder)trans-77.8-9.3-173.3-53.5-178000113.5F71 V74 A187 E193 W195F71-L189 HydrophobicContact CD1-CD2 4.39Å; F71-L189 HydrophobicContact CD2-CD2 4.34Å; F71-L189 HydrophobicContact CE1-CD1 4.01Å; F71-L189 HydrophobicContact CE1-CD2 4.44Å; F71-L189 HydrophobicContact CE2-CD1 4.33Å; F71-L189 HydrophobicContact CE2-CD2 4.4Å; F71-L189 HydrophobicContact CG-CD2 4.34Å; F71-L189 HydrophobicContact CZ-CD1 3.79Å; F71-L189 HydrophobicContact CZ-CD2 4.45Å; V74-L189 HydrophobicContact CB-CD2 4.12Å; V74-L189 HydrophobicContact CG2-CD2 3.73Å; A187-L189 PolarHBondContact O-N 2.97Å; L189-E193 HydrophobicContact CB-CB 3.99Å; L189-E193 HydrophobicContact CD1-CB 4.3Å; L189-E193 PolarHBondContact N-O 3.08Å; L189-E193 VanDerWaalsContact N-O 3.08Å; L189-W195 HydrophobicContact CD1-CB 4.29Å; L189-W195 HydrophobicContact CD2-CB 4.41Å; L189-W195 HydrophobicContact CG-CB 4.49Å
190G82.7Confident93.3Very high31 Ų3137.6 Ų37.632%0.3221%0.213SC..EExtended strand (participates in β ladder)trans87.7168.7-172.400000112.3L188 S192 E193L188-G190 VanDerWaalsContact C-N 3.25Å; L188-G190 PolarHBondContact O-N 2.64Å; G190-S192 PolarHBondContact O-N 3.13Å; G190-S192 VanDerWaalsContact O-N 3.08Å; G190-E193 WeakPolarHBondContact O-CB 3.39Å; G190-E193 PolarHBondContact O-N 3.02Å
191G75.3Confident93.3Very high79 Ų7937.5 Ų37.581%0.81421%0.213SC*.THydrogen-bonded Turntrans6319.1174.500000115.8E193G191-E193 VanDerWaalsContact C-N 3.29Å
192S80.6Confident93.3Very high96 Ų9638 Ų3867%0.67122%0.215SC*.THydrogen-bonded Turntrans70.56.9-167.279.60000116.8G190G190-S192 PolarHBondContact O-N 3.13Å; G190-S192 VanDerWaalsContact O-N 3.08Å
193E91.1Very high93.3Very high132 Ų13240.4 Ų40.462%0.61723%0.226SC*.EExtended strand (participates in β ladder)trans-81.1145.4170.1-61.2-172.3163.500111.4L189 G190 G191L189-E193 HydrophobicContact CB-CB 3.99Å; L189-E193 HydrophobicContact CD1-CB 4.3Å; L189-E193 PolarHBondContact N-O 3.08Å; L189-E193 VanDerWaalsContact N-O 3.08Å; G190-E193 WeakPolarHBondContact O-CB 3.39Å; G190-E193 PolarHBondContact O-N 3.02Å; G191-E193 VanDerWaalsContact C-N 3.29Å
194I93.9Very high93.3Very high40 Ų4040.6 Ų40.621%0.20523%0.228CC..EExtended strand (participates in β ladder)trans-144.9150.2-179.655.2175.6000110.3A187 L188 N283A187-I194 CarbonylContact O-C 3.58Å; A187-I194 VanDerWaalsContact O-CA 3.28Å; A187-I194 WeakPolarHBondContact O-CA 3.47Å; L188-I194 HydrophobicContact CD2-CG2 3.88Å; I194-N283 HydrophobicContact CD1-CB 4.05Å; I194-N283 HydrophobicContact CG2-CB 4.34Å
195W95.4Very high93.4Very high77 Ų7740.4 Ų40.429%0.29223%0.227SC..EExtended strand (participates in β ladder)trans-116.8122.7172.5-178-93.5000110.9Q68 F69 P70 F71 D186 A187 L189 D197 I198Q68-W195 WeakPolarHBondContact O-CZ2 3.01Å; F69-W195 AromaticContact CD2-CD1 3.77Å; F69-W195 AromaticContact CD2-NE1 3.94Å; F69-W195 AromaticContact CE2-CD1 3.94Å; F69-W195 HydrophobicContact CE2-CG 4.42Å; P70-W195 HydrophobicContact CG-CH2 4.31Å; P70-W195 HydrophobicContact CG-CZ2 4.44Å; F71-W195 HydrophobicContact CE2-CB 4.07Å; F71-W195 AromaticContact CE2-CD2 3.62Å; F71-W195 HydrophobicContact CE2-CD2 3.62Å; F71-W195 AromaticContact CE2-CE3 3.59Å; F71-W195 HydrophobicContact CE2-CE3 3.59Å; F71-W195 AromaticContact CE2-CG 3.85Å; F71-W195 HydrophobicContact CE2-CG 3.85Å; F71-W195 HydrophobicContact CE2-CZ3 4.21Å; F71-W195 HydrophobicContact CZ-CD2 4.39Å; F71-W195 AromaticContact CZ-CE3 3.91Å; F71-W195 HydrophobicContact CZ-CE3 3.91Å; F71-W195 HydrophobicContact CZ-CZ3 4.39Å; D186-W195 WeakPolarHBondContact CA-O 3.27Å; D186-W195 WeakPolarHBondContact CB-O 3.43Å; A187-W195 HydrophobicContact CB-CB 4.31Å; A187-W195 PolarHBondContact N-O 3Å; A187-W195 PolarHBondContact O-N 2.91Å; L189-W195 HydrophobicContact CD1-CB 4.29Å; L189-W195 HydrophobicContact CD2-CB 4.41Å; L189-W195 HydrophobicContact CG-CB 4.49Å; W195-D197 HydrophobicContact CZ2-CB 4Å; W195-D197 VanDerWaalsContact NE1-C 3.34Å; W195-D197 PolarHBondContact NE1-O 2.84Å; W195-I198 WeakPolarHBondContact O-CG2 3.26Å
196R94.6Very high93.5Very high138 Ų13840.2 Ų40.252%0.52123%0.225SC..  trans-96.8-17.8-174.5-60.7-161.5166.175.9-7.3115.3D186 I198 E280D186-R196 WeakPolarHBondContact OD1-CA 3.27Å; D186-R196 WeakPolarHBondContact OD1-CG 3.41Å; D186-R196 IonicContact OD2-NE 2.73Å; R196-I198 PolarHBondContact O-N 3.28Å; R196-E280 IonicContact CZ-OE1 2.88Å; R196-E280 IonicContact NE-OE1 3.88Å; R196-E280 IonicContact NH2-OE1 3.67Å; R196-E280 PolarHBondContact NH2-OE1 2.96Å; R196-E280 IonicContact NH2-OE2 3.6Å; R196-E280 PolarHBondContact NH2-OE2 3.19Å
197D93.1Very high93.6Very high73 Ų7339.8 Ų39.839%0.3922%0.223SC..SBendtrans-88.861.5-177.9-153.343.2000109.4W195 K334W195-D197 HydrophobicContact CZ2-CB 4Å; W195-D197 VanDerWaalsContact NE1-C 3.34Å; W195-D197 PolarHBondContact NE1-O 2.84Å; D197-K334 IonicContact OD1-NZ 3.72Å; D197-K334 PolarHBondContact OD1-NZ 3.39Å
198I95.3Very high93.8Very high12 Ų1240 Ų406%0.06222%0.224CC..  trans-153127.5179.5-174.9168000110.6F69 A187 W195 R196 F200 I418F69-I198 HydrophobicContact CD2-CB 4.34Å; F69-I198 HydrophobicContact CD2-CD1 3.65Å; F69-I198 HydrophobicContact CD2-CG1 4.42Å; F69-I198 HydrophobicContact CE2-CD1 3.62Å; F69-I198 HydrophobicContact CG-CD1 4.17Å; F69-I198 HydrophobicContact CZ-CD1 4.13Å; A187-I198 HydrophobicContact CB-CD1 4.46Å; A187-I198 HydrophobicContact CB-CG2 4.07Å; W195-I198 WeakPolarHBondContact O-CG2 3.26Å; R196-I198 PolarHBondContact O-N 3.28Å; I198-F200 HydrophobicContact CD1-CE2 3.45Å; I198-F200 VanDerWaalsContact CD1-CE2 3.45Å; I198-F200 HydrophobicContact CD1-CZ 3.61Å; I198-F200 HydrophobicContact CG1-CD2 4.24Å; I198-F200 HydrophobicContact CG1-CE2 3.61Å; I198-F200 HydrophobicContact CG1-CZ 4.14Å; I198-I418 HydrophobicContact CD1-CG2 4.01Å; I198-I418 HydrophobicContact CG1-CG2 4.1Å
199D97.4Very high94.1Very high22 Ų2239 Ų3912%0.11822%0.219CC..  trans-141.4161.5165.8-161.9-64.9000107.3V183 S184 A201 H202 H420V183-D199 WeakPolarHBondContact O-CA 3.5Å; S184-D199 VanDerWaalsContact CA-OD2 3.25Å; S184-D199 WeakPolarHBondContact CA-OD2 3.31Å; S184-D199 WeakPolarHBondContact CB-OD2 3.49Å; D199-A201 WeakPolarHBondContact OD1-CA 3.28Å; D199-A201 PolarHBondContact OD1-N 3.12Å; D199-H202 HydrophobicContact CB-CB 4.32Å; D199-H202 IonicContact OD1-CG 2.71Å; D199-H202 PolarHBondContact OD1-N 3.39Å; D199-H202 IonicContact OD1-ND1 3.77Å; D199-H202 PolarHBondContact OD1-ND1 2.99Å; D199-H202 IonicContact OD2-CE1 3.43Å; D199-H202 IonicContact OD2-CG 2.73Å; D199-H202 IonicContact OD2-ND1 3.73Å; D199-H202 PolarHBondContact OD2-ND1 3.27Å; D199-H420 PolarHBondContact O-NE2 2.97Å
200F98.1Very high94.5Very high3 Ų337 Ų371%0.01321%0.208CC..SBendtrans-121.31.6-179.1-68.4-97.1000113.2R77 V183 I198 I418 R419 V427R77-F200 HydrophobicContact CB-CD1 4.32Å; R77-F200 HydrophobicContact CB-CD2 4.37Å; R77-F200 HydrophobicContact CB-CE1 3.66Å; R77-F200 HydrophobicContact CB-CE2 3.72Å; R77-F200 HydrophobicContact CB-CZ 3.32Å; R77-F200 HydrophobicContact CG-CE2 4.35Å; R77-F200 HydrophobicContact CG-CZ 4.4Å; R77-F200 VanDerWaalsContact CZ-CE2 3.49Å; V183-F200 HydrophobicContact CB-CB 3.99Å; V183-F200 HydrophobicContact CG1-CB 4.09Å; V183-F200 PolarHBondContact O-N 3.4Å; I198-F200 HydrophobicContact CD1-CE2 3.45Å; I198-F200 VanDerWaalsContact CD1-CE2 3.45Å; I198-F200 HydrophobicContact CD1-CZ 3.61Å; I198-F200 HydrophobicContact CG1-CD2 4.24Å; I198-F200 HydrophobicContact CG1-CE2 3.61Å; I198-F200 HydrophobicContact CG1-CZ 4.14Å; F200-I418 HydrophobicContact CE1-CG1 4.31Å; F200-I418 HydrophobicContact CE1-CG2 4.25Å; F200-I418 HydrophobicContact CZ-CG2 4.3Å; F200-R419 HydrophobicContact CD1-CB 3.82Å; F200-R419 HydrophobicContact CD1-CG 3.63Å; F200-R419 HydrophobicContact CE1-CB 4.28Å; F200-R419 HydrophobicContact CE1-CG 3.66Å; F200-V427 HydrophobicContact CB-CB 4.05Å; F200-V427 HydrophobicContact CB-CG2 4.13Å; F200-V427 HydrophobicContact CD1-CB 4.24Å; F200-V427 HydrophobicContact CD1-CG2 3.45Å; F200-V427 VanDerWaalsContact CD1-CG2 3.45Å; F200-V427 HydrophobicContact CE1-CG2 4.08Å; F200-V427 HydrophobicContact CG-CB 4.28Å; F200-V427 HydrophobicContact CG-CG2 4Å
201A98.3Very high95.2Very high0 Ų035.7 Ų35.70%019%0.194CC..SBendtrans-143.4-8.1-173.800000114.1V183 D199 F207 W210 H211V183-A201 HydrophobicContact CB-CB 3.75Å; V183-A201 HydrophobicContact CG1-CB 4.26Å; V183-A201 HydrophobicContact CG2-CB 3.43Å; V183-A201 VanDerWaalsContact CG2-CB 3.43Å; D199-A201 WeakPolarHBondContact OD1-CA 3.28Å; D199-A201 PolarHBondContact OD1-N 3.12Å; A201-F207 VanDerWaalsContact O-CA 3.28Å; A201-F207 WeakPolarHBondContact O-CA 3.43Å; A201-W210 HydrophobicContact CB-CB 4.4Å; A201-W210 HydrophobicContact CB-CD2 3.4Å; A201-W210 HydrophobicContact CB-CE3 3.75Å; A201-W210 HydrophobicContact CB-CG 3.66Å; A201-W210 HydrophobicContact CB-CH2 4.46Å; A201-W210 HydrophobicContact CB-CZ2 4.16Å; A201-W210 HydrophobicContact CB-CZ3 4.27Å; A201-H211 PolarHBondContact O-CE1 3.18Å
202H98.6Very high96.4Very high12 Ų1232 Ų326%0.05616%0.156CC..SBendtrans-129176.9179-52.597.4000112.2H180 D199 A204 H211 E345 H420H180-H202 AromaticContact NE2-CE1 3.44Å; H180-H202 PolarHBondContact NE2-CE1 2.92Å; H180-H202 AromaticContact NE2-NE2 3.43Å; H180-H202 PolarHBondContact NE2-NE2 3.48Å; D199-H202 HydrophobicContact CB-CB 4.32Å; D199-H202 IonicContact OD1-CG 2.71Å; D199-H202 PolarHBondContact OD1-N 3.39Å; D199-H202 IonicContact OD1-ND1 3.77Å; D199-H202 PolarHBondContact OD1-ND1 2.99Å; D199-H202 IonicContact OD2-CE1 3.43Å; D199-H202 IonicContact OD2-CG 2.73Å; D199-H202 IonicContact OD2-ND1 3.73Å; D199-H202 PolarHBondContact OD2-ND1 3.27Å; H202-A204 PolarHBondContact O-N 2.97Å; H202-H211 AromaticContact CD2-CE1 3.76Å; H202-H211 AromaticContact NE2-CE1 3.47Å; H202-H211 PolarHBondContact NE2-CE1 2.73Å; H202-H211 AromaticContact NE2-NE2 3.71Å; H202-E345 WeakPolarHBondContact CA-OE1 3.44Å; H202-H420 PolarHBondContact O-CE1 3.47Å
203E98.1Very high97.2Very high54 Ų5427.4 Ų27.425%0.25212%0.124SC..SBendtrans59.4-3172.5-49.9-160.5146.900116.6D333 K334 R341 E345 F347E203-D333 CarbonylContact O-C 3.44Å; E203-D333 WeakPolarHBondContact O-CA 3.41Å; E203-K334 HydrophobicContact CB-CB 4.27Å; E203-K334 PolarHBondContact O-N 2.99Å; E203-K334 IonicContact OE1-NZ 3.97Å; E203-K334 WeakPolarHBondContact OE2-CD 3.49Å; E203-K334 IonicContact OE2-NZ 2.68Å; E203-K334 PolarHBondContact OE2-NZ 3.36Å; E203-R341 PolarHBondContact O-NH1 2.94Å; E203-E345 WeakPolarHBondContact CA-OE2 3.46Å; E203-E345 PolarHBondContact N-OE1 2.91Å; E203-E345 PolarHBondContact N-OE2 3.24Å; E203-F347 HydrophobicContact CB-CE2 4.34Å; E203-F347 HydrophobicContact CG-CE2 3.86Å; E203-F347 HydrophobicContact CG-CZ 3.74Å
204A98.3Very high97.6Very high3 Ų321.1 Ų21.13%0.0259%0.094CC..SBendtrans-158.1169-16600000111.4H202 A206 F207 M332 P417 H420H202-A204 PolarHBondContact O-N 2.97Å; A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 1.87Å; A204-F207 PolarHBondContact O-N 3.46Å; A204-M332 WeakPolarHBondContact CB-O 3.46Å; A204-P417 HydrophobicContact CB-CB 3.95Å; A204-P417 HydrophobicContact CB-CG 3.67Å; A204-H420 HydrophobicContact CB-CB 4.17Å; A204-H420 VanDerWaalsContact CB-ND1 3.28Å; A204-H420 WeakPolarHBondContact CB-ND1 3.28Å; A204-H420 PolarHBondContact O-ND1 3.47Å; A204-H420 VanDerWaalsContact O-ND1 3.16Å
205P98.6Very high97.8Very high0 Ų019.2 Ų19.20%09%0.085CC..THydrogen-bonded Turntrans-42.6-37.8-163.3-3834.4000119.2F207 Y327 E328 M332 Y411 P412 A416 H420P205-F207 PolarHBondContact O-N 2.82Å; P205-F207 VanDerWaalsContact O-N 3.17Å; P205-Y327 HydrophobicContact CB-CE1 4.3Å; P205-Y327 PolarHBondContact O-OH 3.21Å; P205-E328 WeakPolarHBondContact CD-OE2 3.41Å; P205-E328 HydrophobicContact CG-CG 3.85Å; P205-E328 WeakPolarHBondContact CG-OE2 3.15Å; P205-M332 WeakPolarHBondContact CD-O 3.34Å; P205-M332 HydrophobicContact CG-CB 4.1Å; P205-Y411 HydrophobicContact CB-CE1 4.19Å; P205-Y411 HydrophobicContact CB-CE2 4.03Å; P205-Y411 VanDerWaalsContact CB-OH 3.3Å; P205-Y411 WeakPolarHBondContact CB-OH 3.3Å; P205-Y411 WeakPolarHBondContact O-CE2 3.48Å; P205-Y411 PolarHBondContact O-OH 3.16Å; P205-P412 HydrophobicContact CB-CG 4.41Å; P205-P412 HydrophobicContact CG-CG 3.96Å; P205-A416 HydrophobicContact CG-CB 3.98Å; P205-H420 HydrophobicContact CB-CB 4.19Å; P205-H420 HydrophobicContact CG-CB 4.38Å
206A98.5Very high98Very high0 Ų015.9 Ų15.90%07%0.072CC..THydrogen-bonded Turntrans-64.4-14.8-178.800000114.5A204 L208 P209 W210 Y411 H420 N435A204-A206 VanDerWaalsContact C-N 3.3Å; A204-A206 PolarHBondContact O-N 1.87Å; A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3Å; A206-L208 VanDerWaalsContact O-N 3.12Å; A206-P209 WeakPolarHBondContact O-CD 3.38Å; A206-W210 WeakPolarHBondContact O-CB 3.36Å; A206-W210 PolarHBondContact O-N 2.78Å; A206-Y411 WeakPolarHBondContact CA-OH 3.46Å; A206-Y411 PolarHBondContact N-OH 2.84Å; A206-H420 HydrophobicContact CB-CB 4.3Å; A206-H420 VanDerWaalsContact CB-ND1 3.33Å; A206-H420 WeakPolarHBondContact CB-ND1 3.36Å; A206-H420 PolarHBondContact N-ND1 3.37Å; A206-H420 VanDerWaalsContact N-ND1 3.16Å; A206-N435 VanDerWaalsContact CB-OD1 3.28Å; A206-N435 WeakPolarHBondContact CB-OD1 3.36Å
207F98.9Very high98.1Very high0 Ų09.7 Ų9.70%05%0.049CC..Hα-helixtrans-44.6-50.7-173.7171.2-115.7000114.7A201 A204 P205 H211 R341 E345 H363 V393A201-F207 VanDerWaalsContact O-CA 3.28Å; A201-F207 WeakPolarHBondContact O-CA 3.43Å; A204-F207 PolarHBondContact O-N 3.46Å; P205-F207 PolarHBondContact O-N 2.82Å; P205-F207 VanDerWaalsContact O-N 3.17Å; F207-H211 AromaticContact CD2-CE1 3.74Å; F207-H211 AromaticContact CD2-ND1 3.46Å; F207-H211 WeakPolarHBondContact CD2-ND1 3.36Å; F207-H211 AromaticContact CE2-CE1 3.79Å; F207-H211 AromaticContact CE2-ND1 3.57Å; F207-H211 WeakPolarHBondContact O-CB 3.25Å; F207-H211 PolarHBondContact O-N 3.07Å; F207-H211 PolarHBondContact O-ND1 2.73Å; F207-R341 HydrophobicContact CB-CG 4.24Å; F207-R341 HydrophobicContact CD1-CG 4.45Å; F207-E345 HydrophobicContact CD1-CB 3.63Å; F207-E345 HydrophobicContact CD1-CG 3.83Å; F207-E345 HydrophobicContact CD2-CG 4.17Å; F207-E345 WeakPolarHBondContact CD2-OE1 3.41Å; F207-E345 HydrophobicContact CE1-CB 3.53Å; F207-E345 HydrophobicContact CE1-CG 3.77Å; F207-E345 HydrophobicContact CE2-CG 4.11Å; F207-E345 HydrophobicContact CG-CB 4.33Å; F207-E345 HydrophobicContact CG-CG 4.06Å; F207-E345 HydrophobicContact CZ-CB 4.15Å; F207-E345 HydrophobicContact CZ-CG 3.93Å; F207-H363 AromaticContact CE2-CE1 3.62Å; F207-H363 AromaticContact CE2-NE2 3.58Å; F207-H363 HydrophobicContact CZ-CB 4.29Å; F207-H363 AromaticContact CZ-CD2 3.63Å; F207-H363 AromaticContact CZ-CE1 3.7Å; F207-H363 AromaticContact CZ-CG 3.68Å; F207-H363 AromaticContact CZ-ND1 3.72Å; F207-H363 AromaticContact CZ-NE2 3.63Å; F207-V393 HydrophobicContact CE1-CG1 4.19Å; F207-V393 HydrophobicContact CZ-CG1 4.21Å
208L98.9Very high98.4Very high4 Ų46.2 Ų6.22%0.0213%0.03CC..Hα-helixtrans-78.6-48.9-177.4-59.1169.7000112.8A206 W210 H211 R212 Y327 F340 R341 L344 V393 F397A206-L208 VanDerWaalsContact C-N 3.32Å; A206-L208 PolarHBondContact O-N 3Å; A206-L208 VanDerWaalsContact O-N 3.12Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 2.75Å; L208-H211 PolarHBondContact O-N 2.96Å; L208-R212 WeakPolarHBondContact O-CB 3.22Å; L208-R212 PolarHBondContact O-N 2.62Å; L208-Y327 HydrophobicContact CD1-CE2 3.99Å; L208-F340 HydrophobicContact CD1-CD1 4.18Å; L208-F340 HydrophobicContact CD1-CE1 3.59Å; L208-F340 HydrophobicContact CD1-CZ 4.35Å; L208-R341 HydrophobicContact CD1-CG 4.48Å; L208-L344 HydrophobicContact CD1-CD2 3.99Å; L208-L344 HydrophobicContact CD2-CD2 3.78Å; L208-L344 HydrophobicContact CD2-CG 4.33Å; L208-V393 HydrophobicContact CD2-CG1 3.71Å; L208-F397 HydrophobicContact CB-CB 4.4Å; L208-F397 HydrophobicContact CB-CD1 3.69Å; L208-F397 HydrophobicContact CB-CD2 4.26Å; L208-F397 HydrophobicContact CB-CE1 3.94Å; L208-F397 HydrophobicContact CB-CE2 4.48Å; L208-F397 HydrophobicContact CB-CG 3.87Å; L208-F397 HydrophobicContact CB-CZ 4.34Å; L208-F397 HydrophobicContact CD1-CB 4.19Å; L208-F397 HydrophobicContact CD1-CD2 3.97Å; L208-F397 HydrophobicContact CD1-CG 4.06Å; L208-F397 HydrophobicContact CD2-CB 4.32Å; L208-F397 HydrophobicContact CG-CG 4.41Å
209P98.8Very high98.6Very high0 Ų05.9 Ų5.90%03%0.029CC..Hα-helixtrans-56.1-38.5171.9-29.836.6000114.9A206 L213 Y327 Y411 F438A206-P209 WeakPolarHBondContact O-CD 3.38Å; P209-L213 PolarHBondContact O-N 2.97Å; P209-Y327 VanDerWaalsContact CD-OH 3.32Å; P209-Y327 WeakPolarHBondContact CD-OH 3.21Å; P209-Y411 HydrophobicContact CG-CD2 4.45Å; P209-Y411 HydrophobicContact CG-CE2 3.78Å; P209-F438 HydrophobicContact CB-CB 3.98Å
210W98.9Very high98.5Very high0 Ų06 Ų60%03%0.029CC..Hα-helixtrans-66.9-52-179.3-167.9104.9000110.9H180 V183 A201 A206 L208 R212 L213 F214 M426 V427 F429H180-W210 AromaticContact CD2-CZ3 3.93Å; V183-W210 HydrophobicContact CB-CZ2 4.29Å; V183-W210 HydrophobicContact CG1-CZ2 3.59Å; V183-W210 HydrophobicContact CG2-CH2 4.01Å; V183-W210 HydrophobicContact CG2-CZ2 3.76Å; A201-W210 HydrophobicContact CB-CB 4.4Å; A201-W210 HydrophobicContact CB-CD2 3.4Å; A201-W210 HydrophobicContact CB-CE3 3.75Å; A201-W210 HydrophobicContact CB-CG 3.66Å; A201-W210 HydrophobicContact CB-CH2 4.46Å; A201-W210 HydrophobicContact CB-CZ2 4.16Å; A201-W210 HydrophobicContact CB-CZ3 4.27Å; A206-W210 WeakPolarHBondContact O-CB 3.36Å; A206-W210 PolarHBondContact O-N 2.78Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 2.75Å; W210-R212 VanDerWaalsContact C-N 3.3Å; W210-R212 PolarHBondContact O-N 2.76Å; W210-L213 PolarHBondContact O-N 2.82Å; W210-F214 HydrophobicContact CE3-CB 3.86Å; W210-F214 HydrophobicContact CE3-CD2 4.47Å; W210-F214 HydrophobicContact CE3-CG 4.2Å; W210-F214 HydrophobicContact CH2-CB 4.21Å; W210-F214 AromaticContact CH2-CD2 3.29Å; W210-F214 HydrophobicContact CH2-CD2 3.29Å; W210-F214 AromaticContact CH2-CE2 3.63Å; W210-F214 HydrophobicContact CH2-CE2 3.63Å; W210-F214 AromaticContact CH2-CG 3.8Å; W210-F214 HydrophobicContact CH2-CG 3.8Å; W210-F214 HydrophobicContact CH2-CZ 4.36Å; W210-F214 HydrophobicContact CZ2-CD2 4.17Å; W210-F214 HydrophobicContact CZ3-CB 3.62Å; W210-F214 AromaticContact CZ3-CD1 3.97Å; W210-F214 HydrophobicContact CZ3-CD1 3.97Å; W210-F214 AromaticContact CZ3-CD2 3.49Å; W210-F214 HydrophobicContact CZ3-CD2 3.49Å; W210-F214 VanDerWaalsContact CZ3-CD2 3.49Å; W210-F214 HydrophobicContact CZ3-CE1 4.45Å; W210-F214 HydrophobicContact CZ3-CE2 4.04Å; W210-F214 AromaticContact CZ3-CG 3.44Å; W210-F214 HydrophobicContact CZ3-CG 3.44Å; W210-F214 VanDerWaalsContact CZ3-CG 3.44Å; W210-F214 HydrophobicContact CZ3-CZ 4.48Å; W210-F214 VanDerWaalsContact O-CB 3.26Å; W210-F214 WeakPolarHBondContact O-CB 3.48Å; W210-F214 PolarHBondContact O-N 3.43Å; W210-M426 VanDerWaalsContact CA-SD 3.57Å; W210-M426 HydrophobicContact CB-SD 4.06Å; W210-M426 HydrophobicContact CG-SD 4.36Å; W210-V427 PolarHBondContact NE1-O 3.09Å; W210-F429 AromaticContact CD1-CE2 3.92Å; W210-F429 HydrophobicContact CD2-CE2 4.15Å; W210-F429 HydrophobicContact CD2-CZ 4.43Å; W210-F429 AromaticContact CE2-CE2 3.61Å; W210-F429 HydrophobicContact CG-CE2 4.29Å; W210-F429 HydrophobicContact CZ2-CE2 4.03Å; W210-F429 HydrophobicContact CZ2-CZ 4.14Å; W210-F429 AromaticContact NE1-CE2 3.47Å
211H98.9Very high98.5Very high5 Ų56.2 Ų6.22%0.0233%0.029CC..Hα-helixtrans-66.5-32.1178.2-73.594.2000112.5H180 A201 H202 F207 L208 F214 L215 F386 H390H180-H211 AromaticContact CD2-NE2 3.73Å; A201-H211 PolarHBondContact O-CE1 3.18Å; H202-H211 AromaticContact CD2-CE1 3.76Å; H202-H211 AromaticContact NE2-CE1 3.47Å; H202-H211 PolarHBondContact NE2-CE1 2.73Å; H202-H211 AromaticContact NE2-NE2 3.71Å; F207-H211 AromaticContact CD2-CE1 3.74Å; F207-H211 AromaticContact CD2-ND1 3.46Å; F207-H211 WeakPolarHBondContact CD2-ND1 3.36Å; F207-H211 AromaticContact CE2-CE1 3.79Å; F207-H211 AromaticContact CE2-ND1 3.57Å; F207-H211 WeakPolarHBondContact O-CB 3.25Å; F207-H211 PolarHBondContact O-N 3.07Å; F207-H211 PolarHBondContact O-ND1 2.73Å; L208-H211 PolarHBondContact O-N 2.96Å; H211-F214 PolarHBondContact O-N 3.04Å; H211-L215 VanDerWaalsContact O-CG 3.31Å; H211-L215 WeakPolarHBondContact O-CG 3.07Å; H211-L215 PolarHBondContact O-N 3.2Å; H211-F386 AromaticContact CD2-CZ 3.99Å; H211-H390 AromaticContact CD2-CE1 3.38Å; H211-H390 PolarHBondContact CD2-CE1 2.99Å; H211-H390 AromaticContact CD2-ND1 3.18Å; H211-H390 PolarHBondContact CD2-ND1 3.33Å; H211-H390 AromaticContact CG-CE1 3.89Å; H211-H390 AromaticContact CG-ND1 3.45Å; H211-H390 AromaticContact NE2-CE1 3.56Å; H211-H390 AromaticContact NE2-ND1 3.86Å
212R98.9Very high98.5Very high1 Ų16.2 Ų6.20%0.0043%0.029CC..Hα-helixtrans-59-52.2169.8171.4165-69.6-151.7-7.3111.9L208 W210 L216 D394 F397 E398 F438 I440 L445 Y447L208-R212 WeakPolarHBondContact O-CB 3.22Å; L208-R212 PolarHBondContact O-N 2.62Å; W210-R212 VanDerWaalsContact C-N 3.3Å; W210-R212 PolarHBondContact O-N 2.76Å; R212-L216 HydrophobicContact CG-CD1 4.25Å; R212-L216 WeakPolarHBondContact O-CD1 3.39Å; R212-L216 VanDerWaalsContact O-CG 3.31Å; R212-L216 WeakPolarHBondContact O-CG 3.24Å; R212-L216 PolarHBondContact O-N 3.34Å; R212-L216 VanDerWaalsContact O-N 3.17Å; R212-D394 IonicContact CZ-OD1 2.7Å; R212-D394 IonicContact NE-OD1 3.48Å; R212-D394 PolarHBondContact NE-OD1 3Å; R212-D394 PolarHBondContact NH2-O 2.87Å; R212-D394 VanDerWaalsContact NH2-O 3.16Å; R212-D394 IonicContact NH2-OD1 3.56Å; R212-D394 PolarHBondContact NH2-OD1 3.2Å; R212-F397 VanDerWaalsContact CZ-CD1 3.49Å; R212-E398 IonicContact CZ-OE2 3.27Å; R212-E398 IonicContact NH1-OE2 2.73Å; R212-E398 PolarHBondContact NH1-OE2 2.84Å; R212-E398 VanDerWaalsContact NH1-OE2 3.1Å; R212-E398 IonicContact NH2-OE2 2.73Å; R212-E398 PolarHBondContact NH2-OE2 2.83Å; R212-F438 WeakPolarHBondContact CD-O 3.48Å; R212-F438 HydrophobicContact CG-CD1 4.39Å; R212-I440 PolarHBondContact NH1-O 3.29Å; R212-L445 HydrophobicContact CG-CD1 4.1Å; R212-Y447 WeakPolarHBondContact CG-OH 3.42Å; R212-Y447 PolarHBondContact NE-OH 3.46Å
213L98.8Very high98.5Very high0 Ų06.4 Ų6.40%03%0.03CC..Hα-helixtrans-64-40.7175.1170.961.3000112.2F105 P209 W210 L216 R217 M426 F429 Y433 F438F105-L213 HydrophobicContact CE2-CD1 3.84Å; F105-L213 HydrophobicContact CZ-CD1 3.91Å; P209-L213 PolarHBondContact O-N 2.97Å; W210-L213 PolarHBondContact O-N 2.82Å; L213-L216 PolarHBondContact O-N 3.19Å; L213-R217 HydrophobicContact CD1-CG 3.86Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 PolarHBondContact O-N 3.26Å; L213-M426 HydrophobicContact CB-CE 4.18Å; L213-M426 HydrophobicContact CB-SD 4.5Å; L213-M426 HydrophobicContact CD2-CE 3.38Å; L213-M426 HydrophobicContact CD2-SD 4.07Å; L213-M426 HydrophobicContact CG-CE 4.42Å; L213-F429 HydrophobicContact CB-CZ 4.32Å; L213-F429 HydrophobicContact CD2-CB 4.4Å; L213-F429 HydrophobicContact CD2-CD1 3.89Å; L213-F429 HydrophobicContact CD2-CD2 3.59Å; L213-F429 HydrophobicContact CD2-CE1 3.96Å; L213-F429 HydrophobicContact CD2-CE2 3.64Å; L213-F429 HydrophobicContact CD2-CG 3.71Å; L213-F429 HydrophobicContact CD2-CZ 3.84Å; L213-F429 HydrophobicContact CG-CD1 4.08Å; L213-F429 HydrophobicContact CG-CD2 4.4Å; L213-F429 HydrophobicContact CG-CE1 3.75Å; L213-F429 HydrophobicContact CG-CE2 4.07Å; L213-F429 HydrophobicContact CG-CG 4.39Å; L213-F429 HydrophobicContact CG-CZ 3.75Å; L213-Y433 HydrophobicContact CD1-CD1 4.23Å; L213-Y433 HydrophobicContact CD1-CD2 4.02Å; L213-Y433 HydrophobicContact CD1-CE1 4.23Å; L213-Y433 HydrophobicContact CD1-CE2 4.02Å; L213-Y433 HydrophobicContact CD1-CG 4.1Å; L213-Y433 HydrophobicContact CD2-CD1 4.44Å; L213-Y433 HydrophobicContact CD2-CD2 3.57Å; L213-Y433 HydrophobicContact CD2-CE2 4.33Å; L213-Y433 HydrophobicContact CD2-CG 3.61Å; L213-Y433 HydrophobicContact CG-CD2 4.43Å; L213-F438 HydrophobicContact CB-CD1 3.98Å; L213-F438 HydrophobicContact CB-CE1 4.09Å; L213-F438 HydrophobicContact CB-CG 4.23Å; L213-F438 HydrophobicContact CB-CZ 4.46Å; L213-F438 HydrophobicContact CD1-CE1 3.77Å; L213-F438 HydrophobicContact CD1-CE2 4.34Å; L213-F438 HydrophobicContact CD1-CZ 3.69Å; L213-F438 HydrophobicContact CD2-CE2 4.38Å; L213-F438 HydrophobicContact CG-CE1 4.43Å; L213-F438 HydrophobicContact CG-CZ 4.43Å
214F98.8Very high98.4Very high0 Ų08.1 Ų8.10%04%0.037CC..Hα-helixtrans-57.8-50.8-179.8-176.4-110000111.6F176 M179 H180 W210 H211 L216 R217 W218 F386 F429F176-F214 HydrophobicContact CB-CE2 3.82Å; F176-F214 HydrophobicContact CB-CZ 3.72Å; F176-F214 HydrophobicContact CD1-CD2 4.09Å; F176-F214 AromaticContact CD1-CE2 3.82Å; F176-F214 HydrophobicContact CD1-CE2 3.82Å; F176-F214 HydrophobicContact CD1-CZ 4.41Å; F176-F214 HydrophobicContact CG-CE2 4.32Å; F176-F214 WeakPolarHBondContact O-CE2 3.47Å; F176-F214 VanDerWaalsContact O-CZ 3.26Å; F176-F214 WeakPolarHBondContact O-CZ 3.38Å; M179-F214 HydrophobicContact CB-CE2 4.08Å; M179-F214 HydrophobicContact CE-CD2 4.49Å; H180-F214 HydrophobicContact CB-CE2 4.45Å; H180-F214 HydrophobicContact CB-CZ 4.07Å; W210-F214 HydrophobicContact CE3-CB 3.86Å; W210-F214 HydrophobicContact CE3-CD2 4.47Å; W210-F214 HydrophobicContact CE3-CG 4.2Å; W210-F214 HydrophobicContact CH2-CB 4.21Å; W210-F214 AromaticContact CH2-CD2 3.29Å; W210-F214 HydrophobicContact CH2-CD2 3.29Å; W210-F214 AromaticContact CH2-CE2 3.63Å; W210-F214 HydrophobicContact CH2-CE2 3.63Å; W210-F214 AromaticContact CH2-CG 3.8Å; W210-F214 HydrophobicContact CH2-CG 3.8Å; W210-F214 HydrophobicContact CH2-CZ 4.36Å; W210-F214 HydrophobicContact CZ2-CD2 4.17Å; W210-F214 HydrophobicContact CZ3-CB 3.62Å; W210-F214 AromaticContact CZ3-CD1 3.97Å; W210-F214 HydrophobicContact CZ3-CD1 3.97Å; W210-F214 AromaticContact CZ3-CD2 3.49Å; W210-F214 HydrophobicContact CZ3-CD2 3.49Å; W210-F214 VanDerWaalsContact CZ3-CD2 3.49Å; W210-F214 HydrophobicContact CZ3-CE1 4.45Å; W210-F214 HydrophobicContact CZ3-CE2 4.04Å; W210-F214 AromaticContact CZ3-CG 3.44Å; W210-F214 HydrophobicContact CZ3-CG 3.44Å; W210-F214 VanDerWaalsContact CZ3-CG 3.44Å; W210-F214 HydrophobicContact CZ3-CZ 4.48Å; W210-F214 VanDerWaalsContact O-CB 3.26Å; W210-F214 WeakPolarHBondContact O-CB 3.48Å; W210-F214 PolarHBondContact O-N 3.43Å; H211-F214 PolarHBondContact O-N 3.04Å; F214-L216 PolarHBondContact O-N 2.85Å; F214-R217 PolarHBondContact O-N 2.04Å; F214-W218 HydrophobicContact CD1-CE3 4.2Å; F214-W218 AromaticContact CE1-CE3 3.53Å; F214-W218 HydrophobicContact CE1-CE3 3.53Å; F214-W218 AromaticContact CE1-CZ3 3.48Å; F214-W218 HydrophobicContact CE1-CZ3 3.48Å; F214-W218 VanDerWaalsContact CE1-CZ3 3.48Å; F214-W218 AromaticContact CZ-CE3 3.77Å; F214-W218 HydrophobicContact CZ-CE3 3.77Å; F214-W218 AromaticContact CZ-CZ3 3.6Å; F214-W218 HydrophobicContact CZ-CZ3 3.6Å; F214-W218 WeakPolarHBondContact O-CB 3.42Å; F214-W218 PolarHBondContact O-N 2.94Å; F214-F386 AromaticContact CD1-CE1 3.97Å; F214-F386 HydrophobicContact CD1-CE1 3.97Å; F214-F386 HydrophobicContact CE1-CD1 4.31Å; F214-F386 AromaticContact CE1-CE1 3.47Å; F214-F386 HydrophobicContact CE1-CE1 3.47Å; F214-F386 VanDerWaalsContact CE1-CE1 3.47Å; F214-F386 AromaticContact CE1-CZ 3.98Å; F214-F386 HydrophobicContact CE1-CZ 3.98Å; F214-F429 HydrophobicContact CB-CZ 4.06Å; F214-F429 HydrophobicContact CD2-CZ 4.29Å
215L98.9Very high98.3Very high0 Ų010 Ų100%05%0.047CC..Hα-helixtrans-59.1-44.8173.5-69.2168.2000111.8H211 R217 W218 E219 I233 L387 H390 A391 D394H211-L215 VanDerWaalsContact O-CG 3.31Å; H211-L215 WeakPolarHBondContact O-CG 3.07Å; H211-L215 PolarHBondContact O-N 3.2Å; L215-R217 PolarHBondContact O-N 3.04Å; L215-W218 PolarHBondContact O-N 3.4Å; L215-E219 VanDerWaalsContact O-CB 3.22Å; L215-E219 WeakPolarHBondContact O-CB 3.48Å; L215-E219 PolarHBondContact O-N 3.22Å; L215-I233 HydrophobicContact CB-CD1 4.34Å; L215-I233 HydrophobicContact CD2-CD1 3.93Å; L215-L387 HydrophobicContact CD2-CD2 4.32Å; L215-H390 HydrophobicContact CD1-CB 4.06Å; L215-H390 HydrophobicContact CD2-CB 4.3Å; L215-H390 HydrophobicContact CG-CB 4.43Å; L215-A391 HydrophobicContact CD1-CB 4.4Å; L215-D394 HydrophobicContact CD1-CB 4.13Å
216L98.7Very high98.3Very high6 Ų611.8 Ų11.83%0.0316%0.057CC..Hα-helixtrans-63.8-35.7179-75.3168000113.3F105 R212 L213 F214 Q220 F438 L445 Y447F105-L216 HydrophobicContact CD1-CB 4.02Å; F105-L216 HydrophobicContact CD1-CD2 4.22Å; F105-L216 HydrophobicContact CD2-CD1 4.24Å; F105-L216 HydrophobicContact CE1-CB 3.65Å; F105-L216 HydrophobicContact CE2-CB 4.29Å; F105-L216 HydrophobicContact CE2-CD1 4.45Å; F105-L216 HydrophobicContact CG-CB 4.48Å; F105-L216 HydrophobicContact CG-CD1 4.32Å; F105-L216 HydrophobicContact CG-CD2 4.44Å; F105-L216 HydrophobicContact CZ-CB 3.78Å; R212-L216 HydrophobicContact CG-CD1 4.25Å; R212-L216 WeakPolarHBondContact O-CD1 3.39Å; R212-L216 VanDerWaalsContact O-CG 3.31Å; R212-L216 WeakPolarHBondContact O-CG 3.24Å; R212-L216 PolarHBondContact O-N 3.34Å; R212-L216 VanDerWaalsContact O-N 3.17Å; L213-L216 PolarHBondContact O-N 3.19Å; F214-L216 PolarHBondContact O-N 2.85Å; L216-Q220 VanDerWaalsContact O-CB 3.32Å; L216-Q220 WeakPolarHBondContact O-CB 3.3Å; L216-Q220 PolarHBondContact O-N 3.36Å; L216-Q220 VanDerWaalsContact O-N 3.1Å; L216-F438 HydrophobicContact CD1-CD1 4.33Å; L216-F438 HydrophobicContact CD1-CE1 4.17Å; L216-L445 HydrophobicContact CD1-CB 4.33Å; L216-L445 HydrophobicContact CD1-CD1 4.04Å; L216-L445 HydrophobicContact CD1-CD2 4.46Å; L216-Y447 HydrophobicContact CD1-CE1 3.98Å; L216-Y447 HydrophobicContact CD2-CD1 3.81Å; L216-Y447 HydrophobicContact CD2-CE1 3.83Å; L216-Y447 HydrophobicContact CG-CE1 4.23Å
217R98.1Very high98.2Very high8 Ų814.7 Ų14.73%0.039%0.087CC..Hα-helixtrans-69-43.5171.8-71.2-51.3-52.9164.313.5111.5F176 L213 F214 L215 Q220 E221 F429 Y433F176-R217 HydrophobicContact CE1-CB 3.6Å; F176-R217 HydrophobicContact CZ-CB 4.02Å; L213-R217 HydrophobicContact CD1-CG 3.86Å; L213-R217 HydrophobicContact CG-CG 4.34Å; L213-R217 PolarHBondContact O-N 3.26Å; F214-R217 PolarHBondContact O-N 2.04Å; L215-R217 PolarHBondContact O-N 3.04Å; R217-Q220 PolarHBondContact O-N 3.36Å; R217-E221 IonicContact CZ-OE1 2.71Å; R217-E221 IonicContact NH2-OE1 2.7Å; R217-E221 PolarHBondContact NH2-OE1 3.34Å; R217-E221 PolarHBondContact O-N 2.98Å; R217-F429 HydrophobicContact CB-CE1 4.42Å; R217-F429 HydrophobicContact CG-CD1 3.92Å; R217-F429 HydrophobicContact CG-CE1 3.8Å; R217-Y433 PolarHBondContact NH1-OH 2.84Å
218W98.4Very high98.2Very high0 Ų015.8 Ų15.80%09%0.093CC..Hα-helixtrans-64.5-44.9-178.9-153.1-25.2000111.4Y173 F176 V177 F214 L215 Q220 E221 I222 I233 A381 L387Y173-W218 HydrophobicContact CD1-CH2 4.37Å; Y173-W218 AromaticContact CD1-CZ2 3.79Å; Y173-W218 HydrophobicContact CD1-CZ2 3.79Å; Y173-W218 AromaticContact CD2-CZ2 3.63Å; Y173-W218 HydrophobicContact CD2-CZ2 3.63Å; Y173-W218 AromaticContact CE1-CH2 3.86Å; Y173-W218 HydrophobicContact CE1-CH2 3.86Å; Y173-W218 AromaticContact CE1-CZ2 3.64Å; Y173-W218 HydrophobicContact CE1-CZ2 3.64Å; Y173-W218 HydrophobicContact CE2-CH2 4.2Å; Y173-W218 AromaticContact CE2-CZ2 3.49Å; Y173-W218 HydrophobicContact CE2-CZ2 3.49Å; Y173-W218 VanDerWaalsContact CE2-CZ2 3.49Å; Y173-W218 AromaticContact CG-CZ2 3.74Å; Y173-W218 HydrophobicContact CG-CZ2 3.74Å; Y173-W218 AromaticContact CZ-CH2 3.74Å; Y173-W218 AromaticContact CZ-CZ2 3.46Å; Y173-W218 VanDerWaalsContact CZ-CZ2 3.46Å; Y173-W218 WeakPolarHBondContact O-CZ2 3.47Å; F176-W218 HydrophobicContact CB-CD2 3.47Å; F176-W218 VanDerWaalsContact CB-CD2 3.47Å; F176-W218 HydrophobicContact CB-CE3 3.36Å; F176-W218 HydrophobicContact CB-CG 4.21Å; F176-W218 HydrophobicContact CB-CH2 3.69Å; F176-W218 HydrophobicContact CB-CZ2 3.75Å; F176-W218 HydrophobicContact CB-CZ3 3.49Å; F176-W218 VanDerWaalsContact CB-CZ3 3.49Å; F176-W218 HydrophobicContact CD1-CB 4.12Å; F176-W218 HydrophobicContact CD1-CD2 4.24Å; F176-W218 HydrophobicContact CD1-CE3 4.32Å; F176-W218 HydrophobicContact CD1-CG 4.21Å; F176-W218 HydrophobicContact CD2-CB 4.04Å; F176-W218 AromaticContact CD2-CD1 3.44Å; F176-W218 VanDerWaalsContact CD2-CD1 3.44Å; F176-W218 AromaticContact CD2-CD2 3.59Å; F176-W218 HydrophobicContact CD2-CD2 3.59Å; F176-W218 AromaticContact CD2-CE2 3.68Å; F176-W218 HydrophobicContact CD2-CE3 4.33Å; F176-W218 AromaticContact CD2-CG 3.44Å; F176-W218 HydrophobicContact CD2-CG 3.44Å; F176-W218 VanDerWaalsContact CD2-CG 3.44Å; F176-W218 HydrophobicContact CD2-CZ2 4.44Å; F176-W218 AromaticContact CD2-NE1 3.57Å; F176-W218 HydrophobicContact CE1-CB 4.16Å; F176-W218 HydrophobicContact CE2-CB 4.08Å; F176-W218 AromaticContact CE2-CD1 3.74Å; F176-W218 HydrophobicContact CE2-CD2 4.46Å; F176-W218 AromaticContact CE2-CG 3.86Å; F176-W218 HydrophobicContact CE2-CG 3.86Å; F176-W218 HydrophobicContact CG-CB 4.09Å; F176-W218 AromaticContact CG-CD2 3.48Å; F176-W218 HydrophobicContact CG-CD2 3.48Å; F176-W218 VanDerWaalsContact CG-CD2 3.48Å; F176-W218 AromaticContact CG-CE2 3.88Å; F176-W218 AromaticContact CG-CE3 3.75Å; F176-W218 HydrophobicContact CG-CE3 3.75Å; F176-W218 AromaticContact CG-CG 3.66Å; F176-W218 HydrophobicContact CG-CG 3.66Å; F176-W218 HydrophobicContact CG-CZ2 4.45Å; F176-W218 HydrophobicContact CG-CZ3 4.38Å; F176-W218 HydrophobicContact CZ-CB 4.15Å; F176-W218 HydrophobicContact CZ-CG 4.4Å; V177-W218 HydrophobicContact CG2-CH2 4.49Å; F214-W218 HydrophobicContact CD1-CE3 4.2Å; F214-W218 AromaticContact CE1-CE3 3.53Å; F214-W218 HydrophobicContact CE1-CE3 3.53Å; F214-W218 AromaticContact CE1-CZ3 3.48Å; F214-W218 HydrophobicContact CE1-CZ3 3.48Å; F214-W218 VanDerWaalsContact CE1-CZ3 3.48Å; F214-W218 AromaticContact CZ-CE3 3.77Å; F214-W218 HydrophobicContact CZ-CE3 3.77Å; F214-W218 AromaticContact CZ-CZ3 3.6Å; F214-W218 HydrophobicContact CZ-CZ3 3.6Å; F214-W218 WeakPolarHBondContact O-CB 3.42Å; F214-W218 PolarHBondContact O-N 2.94Å; L215-W218 PolarHBondContact O-N 3.4Å; W218-Q220 PolarHBondContact O-N 3.43Å; W218-E221 PolarHBondContact O-N 2.98Å; W218-I222 WeakPolarHBondContact O-CG1 3.45Å; W218-I222 PolarHBondContact O-N 3.28Å; W218-I222 VanDerWaalsContact O-N 3.15Å; W218-I233 HydrophobicContact CB-CD1 4.44Å; W218-A381 HydrophobicContact CH2-CB 4.29Å; W218-A381 HydrophobicContact CZ3-CB 4.29Å; W218-L387 HydrophobicContact CD2-CD2 3.58Å; W218-L387 HydrophobicContact CE3-CD2 3.37Å; W218-L387 HydrophobicContact CG-CD2 4.21Å; W218-L387 HydrophobicContact CH2-CD2 4.1Å; W218-L387 HydrophobicContact CZ2-CD2 4.28Å; W218-L387 HydrophobicContact CZ3-CD2 3.63Å
219E98.6Very high97.9Very high6 Ų619.5 Ų19.53%0.02811%0.11CC..Hα-helixtrans-58.9-45.6173.4-160.7170.2-102.900110.9R120 L215 I222 Q223 F231 T232 I233R120-E219 IonicContact CZ-OE1 3.04Å; R120-E219 IonicContact CZ-OE2 2.68Å; R120-E219 IonicContact NE-OE1 2.72Å; R120-E219 PolarHBondContact NE-OE1 2.87Å; R120-E219 IonicContact NE-OE2 3.36Å; R120-E219 IonicContact NH2-OE1 3.97Å; R120-E219 PolarHBondContact NH2-OE1 3.3Å; R120-E219 VanDerWaalsContact NH2-OE1 3.17Å; R120-E219 IonicContact NH2-OE2 3.71Å; R120-E219 PolarHBondContact NH2-OE2 3.46Å; L215-E219 VanDerWaalsContact O-CB 3.22Å; L215-E219 WeakPolarHBondContact O-CB 3.48Å; L215-E219 PolarHBondContact O-N 3.22Å; E219-I222 PolarHBondContact O-N 3.39Å; E219-Q223 VanDerWaalsContact O-CG 3.23Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 2.84Å; E219-F231 HydrophobicContact CG-CD1 4.15Å; E219-F231 HydrophobicContact CG-CE1 4.36Å; E219-T232 WeakPolarHBondContact OE1-CA 3.42Å; E219-I233 HydrophobicContact CB-CD1 3.9Å; E219-I233 HydrophobicContact CB-CG1 4.2Å; E219-I233 HydrophobicContact CG-CD1 4.42Å; E219-I233 HydrophobicContact CG-CG1 4.21Å; E219-I233 PolarHBondContact OE1-N 3.39Å
220Q97Very high97.8Very high25 Ų2524.5 Ų24.512%0.11714%0.137CC..Hα-helixtrans-64.8-41.8177.6176.6161.8107.100114N102 L216 R217 W218 I222 Q223 K224N102-Q220 PolarHBondContact ND2-OE1 3.32Å; L216-Q220 VanDerWaalsContact O-CB 3.32Å; L216-Q220 WeakPolarHBondContact O-CB 3.3Å; L216-Q220 PolarHBondContact O-N 3.36Å; L216-Q220 VanDerWaalsContact O-N 3.1Å; R217-Q220 PolarHBondContact O-N 3.36Å; W218-Q220 PolarHBondContact O-N 3.43Å; Q220-I222 VanDerWaalsContact C-N 3.31Å; Q220-I222 PolarHBondContact O-N 2.86Å; Q220-Q223 PolarHBondContact O-N 3.36Å; Q220-K224 VanDerWaalsContact O-CB 3.3Å; Q220-K224 WeakPolarHBondContact O-CB 3.3Å; Q220-K224 PolarHBondContact O-N 3.46Å
221E97.6Very high97.8Very high6 Ų624.6 Ų24.63%0.02814%0.138CC..Hα-helixtrans-68.5-31.2177.5-64.7-51.4139.200111.8Y149 I172 F176 R217 W218 K224 L225Y149-E221 WeakPolarHBondContact CE2-OE1 3.47Å; I172-E221 HydrophobicContact CG2-CB 3.81Å; F176-E221 HydrophobicContact CE2-CB 4.19Å; F176-E221 HydrophobicContact CE2-CG 4.12Å; F176-E221 HydrophobicContact CZ-CB 4.35Å; F176-E221 HydrophobicContact CZ-CG 3.86Å; R217-E221 IonicContact CZ-OE1 2.71Å; R217-E221 IonicContact NH2-OE1 2.7Å; R217-E221 PolarHBondContact NH2-OE1 3.34Å; R217-E221 PolarHBondContact O-N 2.98Å; W218-E221 PolarHBondContact O-N 2.98Å; E221-K224 IonicContact OE2-NZ 3.51Å; E221-L225 WeakPolarHBondContact O-CB 3.47Å; E221-L225 PolarHBondContact O-N 3.39Å
222I98.4Very high97.7Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-71.8-42.9173.4-64.3166.3000111.3Y137 L138 A141 W218 E219 Q220 K224 L225 T226 F231Y137-I222 HydrophobicContact CD2-CG2 4.19Å; Y137-I222 HydrophobicContact CG-CG2 4.47Å; L138-I222 HydrophobicContact CD2-CD1 3.87Å; A141-I222 HydrophobicContact CB-CG1 4.19Å; W218-I222 WeakPolarHBondContact O-CG1 3.45Å; W218-I222 PolarHBondContact O-N 3.28Å; W218-I222 VanDerWaalsContact O-N 3.15Å; E219-I222 PolarHBondContact O-N 3.39Å; Q220-I222 VanDerWaalsContact C-N 3.31Å; Q220-I222 PolarHBondContact O-N 2.86Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 2.84Å; I222-L225 PolarHBondContact O-N 2.8Å; I222-T226 HydrophobicContact CG2-CG2 4.18Å; I222-T226 WeakPolarHBondContact O-CB 3.17Å; I222-T226 VanDerWaalsContact O-CG2 3.29Å; I222-T226 WeakPolarHBondContact O-CG2 3.47Å; I222-T226 PolarHBondContact O-N 3.47Å; I222-T226 PolarHBondContact O-OG1 3.03Å; I222-F231 HydrophobicContact CB-CD1 3.91Å; I222-F231 HydrophobicContact CB-CE1 3.7Å; I222-F231 HydrophobicContact CB-CZ 4.32Å; I222-F231 HydrophobicContact CD1-CE1 3.81Å; I222-F231 HydrophobicContact CD1-CZ 3.99Å; I222-F231 HydrophobicContact CG1-CE1 4.37Å; I222-F231 HydrophobicContact CG2-CD1 3.62Å; I222-F231 HydrophobicContact CG2-CD2 4.21Å; I222-F231 HydrophobicContact CG2-CE1 3.48Å; I222-F231 VanDerWaalsContact CG2-CE1 3.48Å; I222-F231 HydrophobicContact CG2-CE2 4.05Å; I222-F231 HydrophobicContact CG2-CG 3.98Å; I222-F231 HydrophobicContact CG2-CZ 3.7Å
223Q97.6Very high97.7Very high16 Ų1625.7 Ų25.78%0.07514%0.144CC..Hα-helixtrans-54.7-47.6171.7-72.1164.3-1.800110.8E219 Q220 T226 G227 D228 F231E219-Q223 VanDerWaalsContact O-CG 3.23Å; E219-Q223 WeakPolarHBondContact O-CG 3.37Å; E219-Q223 PolarHBondContact O-N 2.84Å; Q220-Q223 PolarHBondContact O-N 3.36Å; Q223-T226 PolarHBondContact O-N 3.44Å; Q223-T226 PolarHBondContact O-OG1 3.22Å; Q223-G227 WeakPolarHBondContact O-CA 3.39Å; Q223-G227 PolarHBondContact O-N 2.77Å; Q223-D228 WeakPolarHBondContact CG-O 3.46Å; Q223-F231 HydrophobicContact CG-CB 3.93Å; Q223-F231 HydrophobicContact CG-CD1 4.36Å; Q223-F231 PolarHBondContact NE2-O 3.4Å
224K95.8Very high97.7Very high90 Ų9025.8 Ų25.839%0.39115%0.145SC..Hα-helixtrans-65.8-40.1178.8-178.6-169.5161.1-156.60113.1D148 Q220 E221 I222 T226D148-K224 IonicContact OD1-NZ 2.79Å; D148-K224 PolarHBondContact OD1-NZ 3.02Å; D148-K224 IonicContact OD2-NZ 2.71Å; D148-K224 PolarHBondContact OD2-NZ 3.45Å; Q220-K224 VanDerWaalsContact O-CB 3.3Å; Q220-K224 WeakPolarHBondContact O-CB 3.3Å; Q220-K224 PolarHBondContact O-N 3.46Å; E221-K224 IonicContact OE2-NZ 3.51Å; I222-K224 VanDerWaalsContact C-N 3.3Å; I222-K224 PolarHBondContact O-N 2.84Å; K224-T226 VanDerWaalsContact C-N 3.35Å
225L98Very high97.7Very high44 Ų4426 Ų2623%0.2315%0.146CC..Hα-helixtrans-64.2-38.4177.6170.162.7000112.6L140 A141 T144 I172 E221 I222L140-L225 HydrophobicContact CB-CD2 4.41Å; L140-L225 HydrophobicContact CD2-CD1 4.46Å; L140-L225 HydrophobicContact CD2-CD2 4.31Å; L140-L225 HydrophobicContact CD2-CG 4.11Å; L140-L225 HydrophobicContact CG-CD1 4.4Å; L140-L225 HydrophobicContact CG-CD2 4.03Å; L140-L225 HydrophobicContact CG-CG 4.25Å; A141-L225 HydrophobicContact CB-CD2 3.88Å; T144-L225 HydrophobicContact CG2-CD1 3.63Å; I172-L225 HydrophobicContact CD1-CB 4.13Å; I172-L225 HydrophobicContact CD1-CD1 3.9Å; I172-L225 HydrophobicContact CD1-CD2 3.89Å; I172-L225 HydrophobicContact CD1-CG 4.19Å; E221-L225 WeakPolarHBondContact O-CB 3.47Å; E221-L225 PolarHBondContact O-N 3.39Å; I222-L225 PolarHBondContact O-N 2.8Å
226T98.1Very high97.7Very high36 Ų3626.1 Ų26.122%0.22115%0.147CC..Hα-helixtrans-98.8-22.9-169.858.40000113.5Y137 L140 I222 Q223 K224 D228Y137-T226 HydrophobicContact CD1-CG2 3.71Å; Y137-T226 HydrophobicContact CD2-CG2 3.62Å; Y137-T226 HydrophobicContact CE1-CG2 3.87Å; Y137-T226 HydrophobicContact CE2-CG2 3.81Å; Y137-T226 HydrophobicContact CG-CG2 3.58Å; L140-T226 HydrophobicContact CD2-CG2 4.17Å; I222-T226 HydrophobicContact CG2-CG2 4.18Å; I222-T226 WeakPolarHBondContact O-CB 3.17Å; I222-T226 VanDerWaalsContact O-CG2 3.29Å; I222-T226 WeakPolarHBondContact O-CG2 3.47Å; I222-T226 PolarHBondContact O-N 3.47Å; I222-T226 PolarHBondContact O-OG1 3.03Å; Q223-T226 PolarHBondContact O-N 3.44Å; Q223-T226 PolarHBondContact O-OG1 3.22Å; K224-T226 VanDerWaalsContact C-N 3.35Å; T226-D228 PolarHBondContact OG1-N 3.06Å
227G96.8Very high97.7Very high61 Ų6127.5 Ų27.563%0.62915%0.154SC*.  trans78.10.3-169.100000114Q223 E229Q223-G227 WeakPolarHBondContact O-CA 3.39Å; Q223-G227 PolarHBondContact O-N 2.77Å; G227-E229 PolarHBondContact O-N 3.49Å
228D97.6Very high97.7Very high24 Ų2427.1 Ų27.113%0.12815%0.152CC..  trans-8689.7176.1-175.711000110.7K133 Y137 Q223 T226 N230 F231K133-D228 IonicContact NZ-OD2 2.71Å; K133-D228 PolarHBondContact NZ-OD2 3.01Å; Y137-D228 HydrophobicContact CE2-CB 3.81Å; Q223-D228 WeakPolarHBondContact CG-O 3.46Å; T226-D228 PolarHBondContact OG1-N 3.06Å; D228-N230 PolarHBondContact O-N 3.25Å; D228-N230 WeakPolarHBondContact OD1-CA 3.4Å; D228-N230 WeakPolarHBondContact OD1-CB 2.84Å; D228-N230 PolarHBondContact OD1-N 3.48Å; D228-N230 PolarHBondContact OD1-ND2 2.97Å; D228-F231 HydrophobicContact CB-CB 4.35Å; D228-F231 WeakPolarHBondContact O-CB 3.35Å; D228-F231 PolarHBondContact O-N 3.39Å
229E94.3Very high97.6Very high81 Ų8130.1 Ų30.138%0.37916%0.164SC..THydrogen-bonded Turntrans-59.4-9.7174.1-57.4-168.1137.700113.9W108 R116 G227W108-E229 HydrophobicContact CE3-CB 4.25Å; W108-E229 HydrophobicContact CE3-CG 4.17Å; W108-E229 HydrophobicContact CH2-CB 3.79Å; W108-E229 HydrophobicContact CH2-CG 4.2Å; W108-E229 HydrophobicContact CZ3-CB 3.59Å; W108-E229 HydrophobicContact CZ3-CG 3.54Å; W108-E229 WeakPolarHBondContact CZ3-OE1 3.31Å; R116-E229 IonicContact CZ-OE2 3.2Å; R116-E229 IonicContact NH1-OE2 2.74Å; R116-E229 PolarHBondContact NH1-OE2 3.33Å; R116-E229 IonicContact NH2-OE2 2.81Å; R116-E229 PolarHBondContact NH2-OE2 3.04Å; G227-E229 PolarHBondContact O-N 3.49Å
230N95.8Very high97.6Very high105 Ų10534.3 Ų34.356%0.56119%0.186SC*.THydrogen-bonded Turntrans-105.46.2178.5-45.6-81.7000112.7D228 T232D228-N230 PolarHBondContact O-N 3.25Å; D228-N230 WeakPolarHBondContact OD1-CA 3.4Å; D228-N230 WeakPolarHBondContact OD1-CB 2.84Å; D228-N230 PolarHBondContact OD1-N 3.48Å; D228-N230 PolarHBondContact OD1-ND2 2.97Å; N230-T232 PolarHBondContact O-N 2.73Å
231F98.2Very high97.5Very high3 Ų333.9 Ų33.91%0.01319%0.187CC..  trans-64.3132.4173.7174.7-96.2000111F134 Y137 E219 I222 Q223 D228 I233F134-F231 AromaticContact CD2-CE2 3.64Å; F134-F231 HydrophobicContact CD2-CE2 3.64Å; F134-F231 AromaticContact CD2-CZ 3.79Å; F134-F231 HydrophobicContact CD2-CZ 3.79Å; F134-F231 HydrophobicContact CE2-CE2 4.19Å; F134-F231 AromaticContact CE2-CZ 3.85Å; F134-F231 HydrophobicContact CE2-CZ 3.85Å; Y137-F231 AromaticContact CD2-CD2 3.46Å; Y137-F231 HydrophobicContact CD2-CD2 3.46Å; Y137-F231 VanDerWaalsContact CD2-CD2 3.46Å; Y137-F231 AromaticContact CD2-CE2 3.87Å; Y137-F231 HydrophobicContact CD2-CE2 3.87Å; Y137-F231 HydrophobicContact CD2-CG 4.17Å; Y137-F231 HydrophobicContact CE2-CD2 4.09Å; Y137-F231 HydrophobicContact CG-CD2 4.49Å; E219-F231 HydrophobicContact CG-CD1 4.15Å; E219-F231 HydrophobicContact CG-CE1 4.36Å; I222-F231 HydrophobicContact CB-CD1 3.91Å; I222-F231 HydrophobicContact CB-CE1 3.7Å; I222-F231 HydrophobicContact CB-CZ 4.32Å; I222-F231 HydrophobicContact CD1-CE1 3.81Å; I222-F231 HydrophobicContact CD1-CZ 3.99Å; I222-F231 HydrophobicContact CG1-CE1 4.37Å; I222-F231 HydrophobicContact CG2-CD1 3.62Å; I222-F231 HydrophobicContact CG2-CD2 4.21Å; I222-F231 HydrophobicContact CG2-CE1 3.48Å; I222-F231 VanDerWaalsContact CG2-CE1 3.48Å; I222-F231 HydrophobicContact CG2-CE2 4.05Å; I222-F231 HydrophobicContact CG2-CG 3.98Å; I222-F231 HydrophobicContact CG2-CZ 3.7Å; Q223-F231 HydrophobicContact CG-CB 3.93Å; Q223-F231 HydrophobicContact CG-CD1 4.36Å; Q223-F231 PolarHBondContact NE2-O 3.4Å; D228-F231 HydrophobicContact CB-CB 4.35Å; D228-F231 WeakPolarHBondContact O-CB 3.35Å; D228-F231 PolarHBondContact O-N 3.39Å; F231-I233 HydrophobicContact CE1-CG1 4.26Å
232T98.4Very high97.4Very high28 Ų2842.4 Ų42.417%0.17223%0.227CC..  trans-134.1147.1174.355.90000110.6L118 E219 N230 P234L118-T232 HydrophobicContact CB-CG2 3.69Å; L118-T232 HydrophobicContact CD1-CG2 4.13Å; L118-T232 HydrophobicContact CG-CG2 4.41Å; E219-T232 WeakPolarHBondContact OE1-CA 3.42Å; N230-T232 PolarHBondContact O-N 2.73Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å
233I98.7Very high97.2Very high0 Ų048.2 Ų48.20%025%0.252CS..PPolyproline II helixtrans-74.3118.6168.4-62166.5000108.2R120 L215 W218 E219 F231 L387 A391R120-I233 WeakPolarHBondContact CB-O 3.03Å; R120-I233 VanDerWaalsContact CD-O 3.28Å; R120-I233 WeakPolarHBondContact CD-O 3.26Å; R120-I233 WeakPolarHBondContact CG-O 3.44Å; L215-I233 HydrophobicContact CB-CD1 4.34Å; L215-I233 HydrophobicContact CD2-CD1 3.93Å; W218-I233 HydrophobicContact CB-CD1 4.44Å; E219-I233 HydrophobicContact CB-CD1 3.9Å; E219-I233 HydrophobicContact CB-CG1 4.2Å; E219-I233 HydrophobicContact CG-CD1 4.42Å; E219-I233 HydrophobicContact CG-CG1 4.21Å; E219-I233 PolarHBondContact OE1-N 3.39Å; F231-I233 HydrophobicContact CE1-CG1 4.26Å; I233-L387 HydrophobicContact CD1-CD2 4.25Å; I233-L387 HydrophobicContact CG2-CB 3.88Å; I233-A391 HydrophobicContact CG2-CB 4.03Å
234P98.8Very high97.2Very high3 Ų348 Ų482%0.01925%0.252CS..PPolyproline II helixtrans-72161.417332.5-32.8000110.2R121 I123 L126 F134 T232 L388R121-P234 CarbonylContact O-C 3.17Å; R121-P234 VanDerWaalsContact O-CA 3.24Å; R121-P234 WeakPolarHBondContact O-CA 3.38Å; R121-P234 VanDerWaalsContact O-CB 3.29Å; R121-P234 WeakPolarHBondContact O-CB 3.35Å; I123-P234 HydrophobicContact CB-CB 4.29Å; I123-P234 HydrophobicContact CB-CG 4.47Å; L126-P234 HydrophobicContact CD1-CB 3.99Å; L126-P234 HydrophobicContact CD1-CG 4.1Å; F134-P234 HydrophobicContact CD1-CG 4.46Å; F134-P234 HydrophobicContact CD2-CG 4.14Å; F134-P234 HydrophobicContact CE1-CG 4.34Å; F134-P234 HydrophobicContact CE2-CG 4.04Å; F134-P234 HydrophobicContact CG-CG 4.38Å; F134-P234 HydrophobicContact CZ-CG 4.13Å; T232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-L388 HydrophobicContact CG-CD1 4.04Å; P234-L388 HydrophobicContact CG-CG 4.32Å; P234-L388 WeakPolarHBondContact O-CG 3.49Å
235Y98.9Very high97.3Very high5 Ų546.6 Ų46.62%0.0225%0.249CC..BIsolated β-bridgetrans-103.8155.5173.163.3-93.3000111.2R120 R121 N122 I123 D237 F392 Y449 S450 Y451R120-Y235 HydrophobicContact CB-CD1 4.39Å; R120-Y235 WeakPolarHBondContact O-CE1 3.42Å; R121-Y235 VanDerWaalsContact C-CD1 3.45Å; R121-Y235 VanDerWaalsContact O-CD1 3.25Å; R121-Y235 WeakPolarHBondContact O-CD1 3.27Å; R121-Y235 PolarHBondContact O-N 2.87Å; N122-Y235 WeakPolarHBondContact CA-O 3.47Å; N122-Y235 HydrophobicContact CB-CD2 4.28Å; N122-Y235 HydrophobicContact CB-CE1 4.45Å; N122-Y235 HydrophobicContact CB-CE2 3.59Å; N122-Y235 VanDerWaalsContact N-CE1 3.26Å; N122-Y235 VanDerWaalsContact N-CZ 3.31Å; N122-Y235 PolarHBondContact OD1-O 2.9Å; I123-Y235 PolarHBondContact N-O 3.41Å; Y235-D237 HydrophobicContact CD2-CB 4.33Å; Y235-D237 HydrophobicContact CE2-CB 4.17Å; Y235-F392 AromaticContact CD2-CD2 3.62Å; Y235-F392 HydrophobicContact CD2-CD2 3.62Å; Y235-F392 HydrophobicContact CD2-CE2 4.27Å; Y235-F392 HydrophobicContact CE2-CD2 4.24Å; Y235-F392 HydrophobicContact CE2-CE2 4.47Å; Y235-F392 HydrophobicContact CG-CD2 4.28Å; Y235-Y449 AromaticContact CD1-CD1 3.58Å; Y235-Y449 HydrophobicContact CD1-CD1 3.58Å; Y235-Y449 HydrophobicContact CD1-CE1 4.01Å; Y235-Y449 AromaticContact CE1-CD1 3.88Å; Y235-Y449 HydrophobicContact CE1-CD1 3.88Å; Y235-Y449 HydrophobicContact CG-CD1 4.39Å; Y235-S450 PolarHBondContact OH-OG 2.81Å; Y235-Y451 HydrophobicContact CE1-CD1 4.07Å; Y235-Y451 HydrophobicContact CE1-CE1 4.37Å; Y235-Y451 HydrophobicContact CE2-CD1 4.09Å; Y235-Y451 HydrophobicContact CE2-CE1 4.19Å; Y235-Y451 AromaticContact CZ-CD1 3.52Å; Y235-Y451 AromaticContact CZ-CE1 3.96Å; Y235-Y451 WeakPolarHBondContact OH-CD1 3.1Å
236W98.6Very high97.3Very high1 Ų144.5 Ų44.50%0.00424%0.238CC..  trans-106112.4162.1171.628.2000108.6F124 W238 A241 C244 I246 L366 M370 I385 L388 F392F124-W236 AromaticContact CE2-CD1 3.81Å; W236-W238 HydrophobicContact CD2-CB 4.02Å; W236-W238 HydrophobicContact CE3-CB 4.39Å; W236-W238 HydrophobicContact CH2-CB 4.35Å; W236-W238 HydrophobicContact CZ2-CB 3.96Å; W236-W238 PolarHBondContact O-N 3.42Å; W236-W238 VanDerWaalsContact O-N 3.09Å; W236-A241 HydrophobicContact CZ2-CB 4.49Å; W236-C244 HydrophobicContact CH2-CB 4.22Å; W236-I246 HydrophobicContact CB-CD1 4.12Å; W236-I246 HydrophobicContact CD2-CD1 3.61Å; W236-I246 HydrophobicContact CD2-CG1 3.84Å; W236-I246 HydrophobicContact CD2-CG2 4.13Å; W236-I246 HydrophobicContact CE3-CD1 3.29Å; W236-I246 HydrophobicContact CE3-CG1 3.71Å; W236-I246 HydrophobicContact CG-CD1 3.98Å; W236-I246 HydrophobicContact CG-CG1 4.41Å; W236-I246 HydrophobicContact CG-CG2 3.95Å; W236-I246 HydrophobicContact CH2-CG1 4.32Å; W236-I246 HydrophobicContact CZ2-CG1 4.45Å; W236-I246 HydrophobicContact CZ3-CD1 3.9Å; W236-I246 HydrophobicContact CZ3-CG1 3.93Å; W236-L366 HydrophobicContact CE3-CD2 4.06Å; W236-L366 HydrophobicContact CH2-CD1 3.81Å; W236-L366 HydrophobicContact CZ3-CD1 3.76Å; W236-L366 HydrophobicContact CZ3-CD2 3.74Å; W236-L366 HydrophobicContact CZ3-CG 4.28Å; W236-M370 HydrophobicContact CH2-CE 3.75Å; W236-M370 HydrophobicContact CZ3-CE 3.47Å; W236-M370 VanDerWaalsContact CZ3-CE 3.47Å; W236-I385 HydrophobicContact CE3-CG2 4.32Å; W236-I385 HydrophobicContact CZ3-CG2 4.24Å; W236-L388 HydrophobicContact CB-CB 3.9Å; W236-L388 HydrophobicContact CB-CD2 4.11Å; W236-L388 HydrophobicContact CB-CG 4.48Å; W236-L388 PolarHBondContact N-O 2.66Å; W236-L388 VanDerWaalsContact N-O 3.11Å; W236-F392 VanDerWaalsContact O-CB 3.31Å; W236-F392 WeakPolarHBondContact O-CB 3.47Å; W236-F392 WeakPolarHBondContact O-CG 3.25Å
237D98.3Very high97.2Very high35 Ų3544 Ų4419%0.18724%0.236CC..  trans-71.298.4166.6-164.3-17.9000108.7Y235 R239 F392Y235-D237 HydrophobicContact CD2-CB 4.33Å; Y235-D237 HydrophobicContact CE2-CB 4.17Å; D237-R239 VanDerWaalsContact C-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.29Å; D237-R239 VanDerWaalsContact OD1-CG 3.32Å; D237-R239 WeakPolarHBondContact OD1-CG 3.09Å; D237-R239 IonicContact OD1-CZ 3.1Å; D237-R239 PolarHBondContact OD1-N 3.13Å; D237-R239 IonicContact OD1-NE 3.14Å; D237-R239 PolarHBondContact OD1-NE 2.71Å; D237-R239 IonicContact OD1-NH2 3.37Å; D237-R239 IonicContact OD2-CZ 2.81Å; D237-R239 IonicContact OD2-NE 3.03Å; D237-R239 PolarHBondContact OD2-NE 2.81Å; D237-R239 IonicContact OD2-NH2 3.72Å; D237-R239 PolarHBondContact OD2-NH2 2.62Å; D237-F392 HydrophobicContact CB-CD2 4.27Å; D237-F392 HydrophobicContact CB-CE2 3.84Å; D237-F392 HydrophobicContact CB-CZ 4.24Å; D237-F392 WeakPolarHBondContact OD1-CZ 3.46Å
238W97.8Very high97.3Very high0 Ų043.8 Ų43.80%022%0.223CC..  trans-89.84.8-179.646.3-109.4000113.1W236 D240 A241 P313 V318 M362 L366 H389 F392 V393 I396W236-W238 HydrophobicContact CD2-CB 4.02Å; W236-W238 HydrophobicContact CE3-CB 4.39Å; W236-W238 HydrophobicContact CH2-CB 4.35Å; W236-W238 HydrophobicContact CZ2-CB 3.96Å; W236-W238 PolarHBondContact O-N 3.42Å; W236-W238 VanDerWaalsContact O-N 3.09Å; W238-D240 PolarHBondContact O-N 2.85Å; W238-A241 WeakPolarHBondContact O-CB 3.24Å; W238-A241 PolarHBondContact O-N 3.43Å; W238-P313 HydrophobicContact CE3-CB 4.22Å; W238-P313 HydrophobicContact CE3-CG 3.87Å; W238-P313 HydrophobicContact CH2-CB 4.32Å; W238-P313 HydrophobicContact CH2-CG 4.07Å; W238-P313 HydrophobicContact CZ3-CB 3.61Å; W238-P313 HydrophobicContact CZ3-CG 3.54Å; W238-V318 HydrophobicContact CH2-CG2 4.13Å; W238-V318 HydrophobicContact CZ3-CG2 4Å; W238-M362 HydrophobicContact CH2-CE 4.36Å; W238-L366 HydrophobicContact CB-CD1 4.33Å; W238-L366 HydrophobicContact CG-CD1 4.44Å; W238-L366 HydrophobicContact CG-CD2 4.36Å; W238-H389 AromaticContact CD1-ND1 3.58Å; W238-H389 AromaticContact CE2-CE1 3.91Å; W238-H389 AromaticContact CE2-ND1 3.92Å; W238-H389 AromaticContact NE1-CE1 3.43Å; W238-H389 PolarHBondContact NE1-CE1 3.19Å; W238-H389 AromaticContact NE1-ND1 3.01Å; W238-H389 PolarHBondContact NE1-ND1 2.84Å; W238-F392 AromaticContact CD1-CD1 3.98Å; W238-F392 HydrophobicContact CD2-CD1 4Å; W238-F392 HydrophobicContact CD2-CE1 4.11Å; W238-F392 AromaticContact CE2-CD1 3.46Å; W238-F392 VanDerWaalsContact CE2-CD1 3.46Å; W238-F392 AromaticContact CE2-CE1 3.91Å; W238-F392 HydrophobicContact CE3-CE1 4.3Å; W238-F392 HydrophobicContact CG-CD1 4.35Å; W238-F392 HydrophobicContact CH2-CD1 4.33Å; W238-F392 HydrophobicContact CH2-CE1 4.16Å; W238-F392 AromaticContact CZ2-CD1 3.7Å; W238-F392 HydrophobicContact CZ2-CD1 3.7Å; W238-F392 AromaticContact CZ2-CE1 3.98Å; W238-F392 HydrophobicContact CZ2-CE1 3.98Å; W238-F392 HydrophobicContact CZ3-CE1 4.27Å; W238-F392 AromaticContact NE1-CD1 3.45Å; W238-V393 HydrophobicContact CZ2-CG2 4.49Å; W238-I396 HydrophobicContact CH2-CD1 3.89Å; W238-I396 HydrophobicContact CZ2-CD1 4.06Å
239R96.8Very high97.2Very high64 Ų6445.5 Ų45.524%0.24223%0.232CC..THydrogen-bonded Turntrans-60.5133.5179.4-69.7179.8-68-179.5-4.9110.5D237 A241 V318 F392D237-R239 VanDerWaalsContact C-N 3.33Å; D237-R239 WeakPolarHBondContact OD1-CB 3.29Å; D237-R239 VanDerWaalsContact OD1-CG 3.32Å; D237-R239 WeakPolarHBondContact OD1-CG 3.09Å; D237-R239 IonicContact OD1-CZ 3.1Å; D237-R239 PolarHBondContact OD1-N 3.13Å; D237-R239 IonicContact OD1-NE 3.14Å; D237-R239 PolarHBondContact OD1-NE 2.71Å; D237-R239 IonicContact OD1-NH2 3.37Å; D237-R239 IonicContact OD2-CZ 2.81Å; D237-R239 IonicContact OD2-NE 3.03Å; D237-R239 PolarHBondContact OD2-NE 2.81Å; D237-R239 IonicContact OD2-NH2 3.72Å; D237-R239 PolarHBondContact OD2-NH2 2.62Å; R239-A241 PolarHBondContact O-N 2.87Å; R239-V318 HydrophobicContact CG-CG2 3.86Å; R239-F392 HydrophobicContact CG-CE1 4Å; R239-F392 HydrophobicContact CG-CZ 3.92Å
240D97.5Very high97.2Very high93 Ų9347.3 Ų47.350%0.49724%0.24SC..THydrogen-bonded Turntrans6210.6175.7-48.8-58.1000114.1W238 E242 P313 S314 S315W238-D240 PolarHBondContact O-N 2.85Å; D240-E242 PolarHBondContact O-N 3.18Å; D240-P313 PolarHBondContact N-O 2.95Å; D240-P313 VanDerWaalsContact N-O 3.09Å; D240-S314 WeakPolarHBondContact OD1-CA 3.39Å; D240-S314 WeakPolarHBondContact OD1-CB 3.41Å; D240-S315 VanDerWaalsContact CG-N 3.35Å; D240-S315 PolarHBondContact OD1-N 2.86Å; D240-S315 WeakPolarHBondContact OD2-CB 3.43Å; D240-S315 PolarHBondContact OD2-N 3.4Å; D240-S315 PolarHBondContact OD2-OG 2.95Å
241A96.6Very high97.3Very high16 Ų1643.6 Ų43.613%0.13222%0.218CC..  trans-70.4124.2177.100000110.8W236 W238 R239 K243 L312W236-A241 HydrophobicContact CZ2-CB 4.49Å; W238-A241 WeakPolarHBondContact O-CB 3.24Å; W238-A241 PolarHBondContact O-N 3.43Å; R239-A241 PolarHBondContact O-N 2.87Å; A241-K243 VanDerWaalsContact C-N 3.27Å; A241-K243 PolarHBondContact O-N 3.11Å; A241-L312 HydrophobicContact CB-CD1 4.3Å; A241-L312 WeakPolarHBondContact O-CB 3.43Å; A241-L312 WeakPolarHBondContact O-CD1 3.4Å
242E93.7Very high97.2Very high185 Ų18543.5 Ų43.586%0.86422%0.218SC*.SBendtrans-75.2-19.7174.9-62.1-171.7156.800112.3D240D240-E242 PolarHBondContact O-N 3.18Å
243K95.8Very high97.2Very high122 Ų12242.1 Ų42.153%0.5321%0.21SC..SBendtrans-152.2177.1-174.768.3-168.4178.4-171.70112.6A241 D245 Y369A241-K243 VanDerWaalsContact C-N 3.27Å; A241-K243 PolarHBondContact O-N 3.11Å; K243-D245 WeakPolarHBondContact CE-OD1 3.28Å; K243-D245 WeakPolarHBondContact CG-OD1 3.46Å; K243-D245 IonicContact NZ-OD1 3.52Å; K243-D245 PolarHBondContact O-N 3.21Å; K243-Y369 VanDerWaalsContact CA-OH 3.28Å; K243-Y369 WeakPolarHBondContact CA-OH 3.21Å
244C97.3Very high97.1Very high12 Ų1242.6 Ų42.68%0.08122%0.215CC..  trans-75.186.5167.8-177.40000111.2W236 I246 C247 P301 Y369 M370W236-C244 HydrophobicContact CH2-CB 4.22Å; C244-I246 PolarHBondContact O-N 3.49Å; C244-C247 HydrophobicContact CB-CB 3.66Å; C244-C247 WeakPolarHBondContact CB-SG 3.26Å; C244-C247 WeakPolarHBondContact O-CB 3.12Å; C244-C247 PolarHBondContact O-N 2.96Å; C244-C247 WeakPolarHBondContact SG-CB 3.37Å; C244-C247 PolarHBondContact SG-N 2.83Å; C244-C247 CovalentContact SG-SG 2.03Å; C244-C247 PolarHBondContact SG-SG 3.39Å; C244-P301 HydrophobicContact CB-CB 3.88Å; C244-P301 HydrophobicContact CB-CG 4.13Å; C244-Y369 HydrophobicContact CB-CE1 4.18Å; C244-M370 HydrophobicContact CB-CE 4.05Å; C244-M370 HydrophobicContact CB-SD 4.38Å
245D96.7Very high97Very high61 Ų6147.4 Ų47.433%0.32624%0.237SC..THydrogen-bonded Turntrans-67.2-21.6179.1-69.3-63.9000113.8F124 K243 C247F124-D245 HydrophobicContact CZ-CB 4.11Å; K243-D245 WeakPolarHBondContact CE-OD1 3.28Å; K243-D245 WeakPolarHBondContact CG-OD1 3.46Å; K243-D245 IonicContact NZ-OD1 3.52Å; K243-D245 PolarHBondContact O-N 3.21Å; D245-C247 VanDerWaalsContact C-N 3.35Å
246I97.9Very high97Very high0 Ų049.4 Ų49.40%025%0.246CC..THydrogen-bonded Turntrans-85.70.4171.767.8167.7000113.9I123 F124 W236 C244 T248 Y251 M252 I385 L388I123-I246 HydrophobicContact CG2-CG2 3.89Å; F124-I246 HydrophobicContact CE1-CG2 3.89Å; F124-I246 HydrophobicContact CE2-CG2 4.3Å; F124-I246 HydrophobicContact CZ-CG2 3.53Å; W236-I246 HydrophobicContact CB-CD1 4.12Å; W236-I246 HydrophobicContact CD2-CD1 3.61Å; W236-I246 HydrophobicContact CD2-CG1 3.84Å; W236-I246 HydrophobicContact CD2-CG2 4.13Å; W236-I246 HydrophobicContact CE3-CD1 3.29Å; W236-I246 HydrophobicContact CE3-CG1 3.71Å; W236-I246 HydrophobicContact CG-CD1 3.98Å; W236-I246 HydrophobicContact CG-CG1 4.41Å; W236-I246 HydrophobicContact CG-CG2 3.95Å; W236-I246 HydrophobicContact CH2-CG1 4.32Å; W236-I246 HydrophobicContact CZ2-CG1 4.45Å; W236-I246 HydrophobicContact CZ3-CD1 3.9Å; W236-I246 HydrophobicContact CZ3-CG1 3.93Å; C244-I246 PolarHBondContact O-N 3.49Å; I246-T248 VanDerWaalsContact C-N 3.26Å; I246-T248 PolarHBondContact O-N 3.39Å; I246-T248 VanDerWaalsContact O-N 3.12Å; I246-Y251 WeakPolarHBondContact O-CB 3.13Å; I246-M252 HydrophobicContact CD1-CG 3.92Å; I246-M252 HydrophobicContact CG1-CG 4.39Å; I246-M252 PolarHBondContact O-N 3.29Å; I246-I385 HydrophobicContact CD1-CD1 4.15Å; I246-I385 HydrophobicContact CD1-CG1 3.9Å; I246-I385 HydrophobicContact CD1-CG2 4.3Å; I246-I385 HydrophobicContact CG1-CD1 4.28Å; I246-L388 HydrophobicContact CD1-CD2 3.98Å
247C97.7Very high96.8Very high24 Ų2454.7 Ų54.716%0.16228%0.281CS..  trans-88.362177.4-680000111C244 D245 G253 G254 P301C244-C247 HydrophobicContact CB-CB 3.66Å; C244-C247 WeakPolarHBondContact CB-SG 3.26Å; C244-C247 WeakPolarHBondContact O-CB 3.12Å; C244-C247 PolarHBondContact O-N 2.96Å; C244-C247 WeakPolarHBondContact SG-CB 3.37Å; C244-C247 PolarHBondContact SG-N 2.83Å; C244-C247 CovalentContact SG-SG 2.03Å; C244-C247 PolarHBondContact SG-SG 3.39Å; D245-C247 VanDerWaalsContact C-N 3.35Å; C247-G253 CarbonylContact C-O 3.54Å; C247-G253 WeakPolarHBondContact CA-O 3.46Å; C247-G254 WeakPolarHBondContact O-CA 3.31Å; C247-P301 HydrophobicContact CB-CG 4.47Å
248T97.2Very high96.7Very high58 Ų5858.8 Ų58.836%0.35631%0.307SS..SBendtrans-134.7164.2172.480.10000110.1I246 E250 Y251 M252 G253 G254I246-T248 VanDerWaalsContact C-N 3.26Å; I246-T248 PolarHBondContact O-N 3.39Å; I246-T248 VanDerWaalsContact O-N 3.12Å; T248-E250 PolarHBondContact O-N 3.37Å; T248-E250 PolarHBondContact OG1-N 3.13Å; T248-Y251 CarbonylContact O-C 3.47Å; T248-Y251 VanDerWaalsContact O-C 3.27Å; T248-Y251 PolarHBondContact O-N 3.49Å; T248-Y251 WeakPolarHBondContact OG1-CD2 3.3Å; T248-M252 PolarHBondContact O-N 2.82Å; T248-G253 PolarHBondContact N-O 2.8Å; T248-G253 CarbonylContact O-C 3.36Å; T248-G253 VanDerWaalsContact O-CA 3.3Å; T248-G253 WeakPolarHBondContact O-CA 3.02Å; T248-G253 PolarHBondContact O-N 2.93Å; T248-G254 VanDerWaalsContact C-N 3.31Å
249D96.4Very high96.7Very high60 Ų6061.5 Ų61.532%0.32132%0.321SS..THydrogen-bonded Turntrans-72.6-4.2179.9-64-34.1000113.9Y251 G253 G254 S264 A266 S267D249-Y251 VanDerWaalsContact C-N 3.34Å; D249-G253 WeakPolarHBondContact OD1-CA 3.49Å; D249-G254 PolarHBondContact OD1-N 2.74Å; D249-S264 VanDerWaalsContact OD1-CB 3.3Å; D249-S264 WeakPolarHBondContact OD1-CB 3.21Å; D249-S264 WeakPolarHBondContact OD2-CB 3.33Å; D249-S264 PolarHBondContact OD2-OG 3.1Å; D249-A266 HydrophobicContact CB-CB 4.28Å; D249-S267 WeakPolarHBondContact OD1-CB 3.3Å
250E94.9Very high96.7Very high118 Ų11861.2 Ų61.255%0.55133%0.328SS*.THydrogen-bonded Turntrans-84.9-10.6167.1-158.4-154.3147.300112.6K131 T248K131-E250 IonicContact NZ-OE1 3.88Å; K131-E250 PolarHBondContact NZ-OE1 2.99Å; T248-E250 PolarHBondContact O-N 3.37Å; T248-E250 PolarHBondContact OG1-N 3.13Å
251Y96.8Very high96.6Very high28 Ų2859.7 Ų59.711%0.1132%0.32CS..THydrogen-bonded Turntrans-135.4-117.9-176.3-63.1-85.2000110.2I123 F124 K131 I246 T248 D249 G253I123-Y251 HydrophobicContact CD1-CD1 3.79Å; I123-Y251 HydrophobicContact CD1-CE1 4.48Å; I123-Y251 HydrophobicContact CG1-CD1 3.8Å; I123-Y251 HydrophobicContact CG1-CE1 4Å; F124-Y251 HydrophobicContact CD1-CE1 4.03Å; F124-Y251 AromaticContact CD1-CZ 3.93Å; F124-Y251 HydrophobicContact CE1-CE1 4.31Å; K131-Y251 HydrophobicContact CD-CD1 4.05Å; K131-Y251 HydrophobicContact CD-CE1 3.57Å; K131-Y251 PolarHBondContact NZ-OH 2.93Å; I246-Y251 WeakPolarHBondContact O-CB 3.13Å; T248-Y251 CarbonylContact O-C 3.47Å; T248-Y251 VanDerWaalsContact O-C 3.27Å; T248-Y251 PolarHBondContact O-N 3.49Å; T248-Y251 WeakPolarHBondContact OG1-CD2 3.3Å; D249-Y251 VanDerWaalsContact C-N 3.34Å; Y251-G253 VanDerWaalsContact C-N 3.3Å; Y251-G253 PolarHBondContact O-N 3.46Å
252M97.3Very high96.7Very high0 Ų061 Ų610%033%0.325CS..THydrogen-bonded Turntrans-89.817.2-169.9-57.3-51.6179.600114.9I123 F134 F135 I246 T248 F269 R299 P384 I385 L388I123-M252 HydrophobicContact CD1-CE 3.52Å; F134-M252 HydrophobicContact CD1-CE 4.48Å; F134-M252 HydrophobicContact CE1-CE 3.83Å; F135-M252 HydrophobicContact CD1-SD 4.5Å; F135-M252 HydrophobicContact CE1-CE 4.04Å; F135-M252 HydrophobicContact CE1-SD 3.94Å; I246-M252 HydrophobicContact CD1-CG 3.92Å; I246-M252 HydrophobicContact CG1-CG 4.39Å; I246-M252 PolarHBondContact O-N 3.29Å; T248-M252 PolarHBondContact O-N 2.82Å; M252-F269 HydrophobicContact SD-CE2 3.78Å; M252-F269 HydrophobicContact SD-CZ 4.16Å; M252-R299 PolarHBondContact O-NH1 3.21Å; M252-R299 PolarHBondContact O-NH2 3.31Å; M252-P384 HydrophobicContact SD-CB 4.39Å; M252-P384 HydrophobicContact SD-CG 4.41Å; M252-I385 HydrophobicContact CB-CD1 4.1Å; M252-I385 HydrophobicContact CB-CG1 3.72Å; M252-I385 HydrophobicContact CG-CG1 3.83Å; M252-L388 HydrophobicContact CE-CD1 3.58Å; M252-L388 HydrophobicContact CE-CD2 3.29Å; M252-L388 HydrophobicContact CE-CG 4.06Å
253G97.3Very high96.9Very high0 Ų052.8 Ų52.80%029%0.286CS..  trans92.3132.4-177.500000113.6C247 T248 D249 Y251 S267 R299C247-G253 CarbonylContact C-O 3.54Å; C247-G253 WeakPolarHBondContact CA-O 3.46Å; T248-G253 PolarHBondContact N-O 2.8Å; T248-G253 CarbonylContact O-C 3.36Å; T248-G253 VanDerWaalsContact O-CA 3.3Å; T248-G253 WeakPolarHBondContact O-CA 3.02Å; T248-G253 PolarHBondContact O-N 2.93Å; D249-G253 WeakPolarHBondContact OD1-CA 3.49Å; Y251-G253 VanDerWaalsContact C-N 3.3Å; Y251-G253 PolarHBondContact O-N 3.46Å; G253-S267 VanDerWaalsContact CA-CB 3.47Å; G253-S267 WeakPolarHBondContact CA-OG 3.14Å; G253-R299 PolarHBondContact O-NH1 3.17Å
254G97Very high97Very high10 Ų1047.6 Ų47.610%0.10327%0.265CS..  trans-74.5176.3170.500000112.6C247 T248 D249 L263 S264C247-G254 WeakPolarHBondContact O-CA 3.31Å; T248-G254 VanDerWaalsContact C-N 3.31Å; D249-G254 PolarHBondContact OD1-N 2.74Å; G254-L263 CarbonylContact O-C 2.82Å; G254-L263 VanDerWaalsContact O-CA 3.3Å; G254-L263 WeakPolarHBondContact O-CA 3.39Å; G254-S264 PolarHBondContact O-N 2.98Å
255Q97.1Very high97Very high103 Ų10351.2 Ų51.248%0.48129%0.289SS..EExtended strand (participates in β ladder)trans-78.5141.8175.5-172.6171.661.100111.4P260 N300Q255-P260 HydrophobicContact CG-CB 4.37Å; Q255-P260 VanDerWaalsContact NE2-CB 3.31Å; Q255-P260 PolarHBondContact NE2-O 3.22Å; Q255-N300 PolarHBondContact NE2-OD1 3.02Å
256H97.6Very high96.9Very high48 Ų4851.9 Ų51.922%0.22230%0.303CS..EExtended strand (participates in β ladder)trans-67.9127179.6-171.2-86000111.6T258 N259 L262 L263H256-T258 PolarHBondContact CE1-OG1 3.33Å; H256-T258 PolarHBondContact ND1-N 3.03Å; H256-T258 PolarHBondContact ND1-OG1 2.63Å; H256-T258 PolarHBondContact O-N 3.2Å; H256-N259 WeakPolarHBondContact CB-O 3.43Å; H256-N259 CarbonylContact O-C 3.27Å; H256-N259 PolarHBondContact O-N 2.76Å; H256-N259 VanDerWaalsContact O-N 3.1Å; H256-L262 HydrophobicContact CB-CB 3.87Å; H256-L262 WeakPolarHBondContact CB-O 3.15Å; H256-L262 PolarHBondContact N-O 3Å; H256-L263 WeakPolarHBondContact CB-O 3.3Å; H256-L263 PolarHBondContact CD2-O 3.23Å
257P95.5Very high96.8Very high112 Ų11252.1 Ų52.173%0.72731%0.305SS*.THydrogen-bonded Turntrans-55.8-21.6-170.9-3035.6000116.9
258T96.4Very high96.3Very high121 Ų12155.4 Ų55.474%0.74232%0.316SS*.THydrogen-bonded Turntrans-1221.4-179.662.30000114.9H256H256-T258 PolarHBondContact CE1-OG1 3.33Å; H256-T258 PolarHBondContact ND1-N 3.03Å; H256-T258 PolarHBondContact ND1-OG1 2.63Å; H256-T258 PolarHBondContact O-N 3.2Å
259N97.1Very high96.3Very high56 Ų5652.6 Ų52.630%0.29930%0.299SS..EExtended strand (participates in β ladder)trans-148.5102177.7-177-8.7000110.2H256 N261 L262H256-N259 WeakPolarHBondContact CB-O 3.43Å; H256-N259 CarbonylContact O-C 3.27Å; H256-N259 PolarHBondContact O-N 2.76Å; H256-N259 VanDerWaalsContact O-N 3.1Å; N259-N261 PolarHBondContact O-N 2.71Å; N259-N261 PolarHBondContact OD1-N 3.16Å; N259-N261 PolarHBondContact OD1-ND2 3.25Å; N259-L262 HydrophobicContact CB-CD1 4.31Å; N259-L262 HydrophobicContact CB-CG 4.48Å; N259-L262 WeakPolarHBondContact ND2-CD1 3.16Å; N259-L262 PolarHBondContact O-N 3.31Å; N259-L262 VanDerWaalsContact O-N 3.13Å
260P96.1Very high96.3Very high59 Ų5951.8 Ų51.838%0.38330%0.298SS..EExtended strand (participates in β ladder)trans-65.4-7.1-170.526.9-35.6000114.9Q255 R299 N300Q255-P260 HydrophobicContact CG-CB 4.37Å; Q255-P260 VanDerWaalsContact NE2-CB 3.31Å; Q255-P260 PolarHBondContact NE2-O 3.22Å; P260-R299 VanDerWaalsContact O-O 3.07Å; P260-N300 WeakPolarHBondContact O-CB 3.16Å; P260-N300 PolarHBondContact O-OD1 2.73Å
261N97.4Very high96.3Very high60 Ų6049.9 Ų49.932%0.32130%0.298SS..EExtended strand (participates in β ladder)trans-98.70.6-179.5-47.1-82000114N259 R298 R299 N300N259-N261 PolarHBondContact O-N 2.71Å; N259-N261 PolarHBondContact OD1-N 3.16Å; N259-N261 PolarHBondContact OD1-ND2 3.25Å; N261-R298 WeakPolarHBondContact O-CA 3.2Å; N261-R298 WeakPolarHBondContact O-CB 3.22Å; N261-R299 CarbonylContact C-O 2.94Å; N261-R299 WeakPolarHBondContact CA-O 3.46Å; N261-R299 PolarHBondContact O-N 2.8Å; N261-N300 PolarHBondContact OD1-ND2 2.85Å
262L98Very high96.3Very high45 Ų4548.8 Ų48.824%0.23629%0.294CS..EExtended strand (participates in β ladder)trans-118.8161179.3-64.9179.6000110.9H256 N259 P296 R298H256-L262 HydrophobicContact CB-CB 3.87Å; H256-L262 WeakPolarHBondContact CB-O 3.15Å; H256-L262 PolarHBondContact N-O 3Å; N259-L262 HydrophobicContact CB-CD1 4.31Å; N259-L262 HydrophobicContact CB-CG 4.48Å; N259-L262 WeakPolarHBondContact ND2-CD1 3.16Å; N259-L262 PolarHBondContact O-N 3.31Å; N259-L262 VanDerWaalsContact O-N 3.13Å; L262-P296 HydrophobicContact CD2-CB 4.21Å; L262-P296 HydrophobicContact CD2-CG 3.84Å; L262-R298 HydrophobicContact CD2-CG 4.47Å
263L97.9Very high96.3Very high11 Ų1152.5 Ų52.56%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-79.3149.9172.5-56.7-173.1000112.2G254 H256 F269 L297 R299G254-L263 CarbonylContact O-C 2.82Å; G254-L263 VanDerWaalsContact O-CA 3.3Å; G254-L263 WeakPolarHBondContact O-CA 3.39Å; H256-L263 WeakPolarHBondContact CB-O 3.3Å; H256-L263 PolarHBondContact CD2-O 3.23Å; L263-F269 HydrophobicContact CD1-CB 3.75Å; L263-L297 HydrophobicContact CD1-CD2 3.8Å; L263-L297 HydrophobicContact CD1-CG 4.42Å; L263-R299 HydrophobicContact CD2-CB 4.11Å; L263-R299 VanDerWaalsContact CD2-NH1 3.34Å
264S97.9Very high96.4Very high13 Ų1353.1 Ų53.19%0.09131%0.314CS..  trans-53.8137.2170.8168.90000111.3D249 G254 A266 S267 S270D249-S264 VanDerWaalsContact OD1-CB 3.3Å; D249-S264 WeakPolarHBondContact OD1-CB 3.21Å; D249-S264 WeakPolarHBondContact OD2-CB 3.33Å; D249-S264 PolarHBondContact OD2-OG 3.1Å; G254-S264 PolarHBondContact O-N 2.98Å; S264-A266 PolarHBondContact O-N 3.04Å; S264-A266 PolarHBondContact OG-N 3.24Å; S264-S267 VanDerWaalsContact O-CB 3.32Å; S264-S267 WeakPolarHBondContact O-CB 3.49Å; S264-S267 PolarHBondContact O-N 3.36Å; S264-S270 VanDerWaalsContact O-CB 3.25Å; S264-S270 WeakPolarHBondContact O-CB 3.44Å
265P96.8Very high96.5Very high89 Ų8952.7 Ų52.758%0.57831%0.309SS*.THydrogen-bonded Turntrans-65-9.1-179.9-20.734.5000114.7
266A95.4Very high96.5Very high74 Ų7447.8 Ų47.861%0.61229%0.287SS*.THydrogen-bonded Turntrans-83.4-12.9172.600000113.1D249 S264D249-A266 HydrophobicContact CB-CB 4.28Å; S264-A266 PolarHBondContact O-N 3.04Å; S264-A266 PolarHBondContact OG-N 3.24Å
267S94.4Very high96.4Very high6 Ų646.9 Ų46.94%0.04229%0.285CS..SBendtrans-73135.9176.5-177.90000112.2D249 G253 S264 F269 S270D249-S267 WeakPolarHBondContact OD1-CB 3.3Å; G253-S267 VanDerWaalsContact CA-CB 3.47Å; G253-S267 WeakPolarHBondContact CA-OG 3.14Å; S264-S267 VanDerWaalsContact O-CB 3.32Å; S264-S267 WeakPolarHBondContact O-CB 3.49Å; S264-S267 PolarHBondContact O-N 3.36Å; S267-F269 PolarHBondContact O-N 2.73Å; S267-F269 VanDerWaalsContact O-N 3.07Å; S267-F269 PolarHBondContact OG-N 3.42Å; S267-S270 WeakPolarHBondContact O-CB 3.47Å; S267-S270 PolarHBondContact O-N 3.32Å; S267-S270 VanDerWaalsContact O-N 3.09Å; S267-S270 PolarHBondContact O-OG 3.45Å
268F88.8Confident96.3Very high92 Ų9246.4 Ų46.440%0.40427%0.269SS..THydrogen-bonded Turntrans-48.5-30.9166.5-70.7-83.6000113.6F135F135-F268 HydrophobicContact CB-CD2 4.1Å; F135-F268 HydrophobicContact CB-CE2 4.36Å; F135-F268 HydrophobicContact CB-CG 4.21Å; F135-F268 AromaticContact CD2-CD2 3.94Å; F135-F268 HydrophobicContact CD2-CD2 3.94Å; F135-F268 AromaticContact CD2-CE2 3.83Å; F135-F268 HydrophobicContact CD2-CE2 3.83Å; F135-F268 HydrophobicContact CG-CD2 4.26Å; F135-F268 HydrophobicContact CG-CE2 4.48Å
269F96.3Very high96.2Very high0 Ų041.8 Ų41.80%024%0.24CC..THydrogen-bonded Turntrans-94.7-3.6-173.8-50.9-67.7000113.5F135 L138 M252 L263 S267 S271 W272 L297 P384F135-F269 HydrophobicContact CB-CZ 4.34Å; F135-F269 HydrophobicContact CD1-CE2 4.1Å; F135-F269 AromaticContact CD1-CZ 3.79Å; F135-F269 HydrophobicContact CD1-CZ 3.79Å; F135-F269 HydrophobicContact CG-CZ 4.32Å; L138-F269 HydrophobicContact CB-CE1 4.49Å; L138-F269 HydrophobicContact CD1-CE1 4.28Å; L138-F269 HydrophobicContact CD1-CZ 4.37Å; M252-F269 HydrophobicContact SD-CE2 3.78Å; M252-F269 HydrophobicContact SD-CZ 4.16Å; L263-F269 HydrophobicContact CD1-CB 3.75Å; S267-F269 PolarHBondContact O-N 2.73Å; S267-F269 VanDerWaalsContact O-N 3.07Å; S267-F269 PolarHBondContact OG-N 3.42Å; F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.95Å; F269-W272 AromaticContact CD1-CD2 3.94Å; F269-W272 HydrophobicContact CD1-CD2 3.94Å; F269-W272 AromaticContact CD1-CE2 3.58Å; F269-W272 HydrophobicContact CD1-CE3 4.21Å; F269-W272 AromaticContact CD1-CH2 3.9Å; F269-W272 HydrophobicContact CD1-CH2 3.9Å; F269-W272 AromaticContact CD1-CZ2 3.56Å; F269-W272 HydrophobicContact CD1-CZ2 3.56Å; F269-W272 HydrophobicContact CD1-CZ3 4.19Å; F269-W272 AromaticContact CE1-CH2 3.92Å; F269-W272 HydrophobicContact CE1-CH2 3.92Å; F269-W272 AromaticContact CE1-CZ2 3.69Å; F269-W272 HydrophobicContact CE1-CZ2 3.69Å; F269-W272 WeakPolarHBondContact O-CB 3.32Å; F269-W272 PolarHBondContact O-N 2.95Å; F269-L297 HydrophobicContact CB-CD2 4.46Å; F269-P384 HydrophobicContact CB-CG 4.49Å; F269-P384 HydrophobicContact CD1-CB 4.37Å; F269-P384 HydrophobicContact CD1-CG 3.7Å; F269-P384 HydrophobicContact CD2-CG 3.98Å; F269-P384 HydrophobicContact CE1-CB 4.04Å; F269-P384 HydrophobicContact CE1-CG 3.82Å; F269-P384 HydrophobicContact CE2-CG 4.1Å; F269-P384 HydrophobicContact CG-CG 3.78Å; F269-P384 HydrophobicContact CZ-CB 4.21Å; F269-P384 HydrophobicContact CZ-CG 4.02Å
270S96Very high96.1Very high43 Ų4344.1 Ų44.130%0.30125%0.249SC..THydrogen-bonded Turntrans-66.9-27.2-174.962.20000114.6S264 S267S264-S270 VanDerWaalsContact O-CB 3.25Å; S264-S270 WeakPolarHBondContact O-CB 3.44Å; S267-S270 WeakPolarHBondContact O-CB 3.47Å; S267-S270 PolarHBondContact O-N 3.32Å; S267-S270 VanDerWaalsContact O-N 3.09Å; S267-S270 PolarHBondContact O-OG 3.45Å
271S95.2Very high96Very high78 Ų7845.2 Ų45.255%0.54525%0.249SC..THydrogen-bonded Turntrans-84.3-15177.159.80000113.6F269 Q273F269-S271 VanDerWaalsContact C-N 3.31Å; F269-S271 PolarHBondContact O-N 2.95Å; S271-Q273 PolarHBondContact O-N 3.37Å; S271-Q273 PolarHBondContact O-NE2 3.4Å
272W97.4Very high95.8Very high5 Ų542.9 Ų42.92%0.01924%0.236CC..PPolyproline II helixtrans-64.6130.9-171.1-75.828.1000111.5L138 K142 Y173 F269 P296 L297L138-W272 HydrophobicContact CB-CH2 4.11Å; L138-W272 HydrophobicContact CB-CZ2 4.36Å; K142-W272 HydrophobicContact CB-CH2 3.99Å; K142-W272 HydrophobicContact CB-CZ2 3.72Å; K142-W272 HydrophobicContact CD-CD2 4.23Å; K142-W272 HydrophobicContact CD-CE3 4.08Å; K142-W272 HydrophobicContact CD-CZ3 4.24Å; K142-W272 HydrophobicContact CG-CD2 3.83Å; K142-W272 HydrophobicContact CG-CE3 4.13Å; K142-W272 HydrophobicContact CG-CG 4.32Å; K142-W272 HydrophobicContact CG-CH2 4.2Å; K142-W272 HydrophobicContact CG-CZ2 3.92Å; K142-W272 HydrophobicContact CG-CZ3 4.31Å; Y173-W272 HydrophobicContact CD1-CZ3 4.07Å; Y173-W272 AromaticContact CD2-CH2 3.66Å; Y173-W272 HydrophobicContact CD2-CH2 3.66Å; Y173-W272 AromaticContact CD2-CZ3 3.86Å; Y173-W272 HydrophobicContact CD2-CZ3 3.86Å; Y173-W272 AromaticContact CE1-CZ3 3.83Å; Y173-W272 HydrophobicContact CE1-CZ3 3.83Å; Y173-W272 AromaticContact CE2-CH2 3.63Å; Y173-W272 HydrophobicContact CE2-CH2 3.63Å; Y173-W272 AromaticContact CE2-CZ3 3.59Å; Y173-W272 HydrophobicContact CE2-CZ3 3.59Å; Y173-W272 HydrophobicContact CG-CH2 4.2Å; Y173-W272 HydrophobicContact CG-CZ3 4.12Å; Y173-W272 AromaticContact CZ-CZ3 3.61Å; F269-W272 AromaticContact CD1-CD2 3.94Å; F269-W272 HydrophobicContact CD1-CD2 3.94Å; F269-W272 AromaticContact CD1-CE2 3.58Å; F269-W272 HydrophobicContact CD1-CE3 4.21Å; F269-W272 AromaticContact CD1-CH2 3.9Å; F269-W272 HydrophobicContact CD1-CH2 3.9Å; F269-W272 AromaticContact CD1-CZ2 3.56Å; F269-W272 HydrophobicContact CD1-CZ2 3.56Å; F269-W272 HydrophobicContact CD1-CZ3 4.19Å; F269-W272 AromaticContact CE1-CH2 3.92Å; F269-W272 HydrophobicContact CE1-CH2 3.92Å; F269-W272 AromaticContact CE1-CZ2 3.69Å; F269-W272 HydrophobicContact CE1-CZ2 3.69Å; F269-W272 WeakPolarHBondContact O-CB 3.32Å; F269-W272 PolarHBondContact O-N 2.95Å; W272-P296 WeakPolarHBondContact O-CA 3.19Å; W272-L297 PolarHBondContact O-N 3.41Å
273Q97.9Very high95.7Very high77 Ų7741 Ų4136%0.3623%0.226SC..EExtended strand (participates in β ladder)trans-93.1142.4170.2-54.9-55.7-72.800110.2K142 S271 P293 G295K142-Q273 WeakPolarHBondContact CE-O 3.35Å; K142-Q273 PolarHBondContact NZ-O 3.15Å; S271-Q273 PolarHBondContact O-N 3.37Å; S271-Q273 PolarHBondContact O-NE2 3.4Å; Q273-P293 HydrophobicContact CB-CB 3.77Å; Q273-P293 HydrophobicContact CB-CG 4.46Å; Q273-P293 HydrophobicContact CG-CB 4.14Å; Q273-G295 CarbonylContact C-O 3.21Å; Q273-G295 WeakPolarHBondContact CA-O 3.23Å; Q273-G295 PolarHBondContact OE1-O 2.82Å
274I98.2Very high95.5Very high13 Ų1344.2 Ų44.27%0.06725%0.249CC..EExtended strand (participates in β ladder)trans-89.4159.1176.873.3-176.7000111.4E294 G295 L297 T373 N382I274-E294 HydrophobicContact CG1-CB 4.25Å; I274-E294 PolarHBondContact O-N 2.98Å; I274-G295 PolarHBondContact N-O 3.25Å; I274-L297 HydrophobicContact CG2-CB 4.12Å; I274-L297 HydrophobicContact CG2-CD1 4.26Å; I274-T373 HydrophobicContact CG2-CG2 4.25Å; I274-N382 WeakPolarHBondContact CA-OD1 3.46Å; I274-N382 HydrophobicContact CB-CB 4.03Å; I274-N382 WeakPolarHBondContact CB-OD1 3.38Å; I274-N382 HydrophobicContact CG2-CB 3.83Å
275V98.3Very high95.2Very high2 Ų249.4 Ų49.41%0.01227%0.272CS..  trans-131.7163.7171.4-58.70000110.5D174 V177 S277 G291 N382D174-V275 HydrophobicContact CB-CG2 3.98Å; V177-V275 HydrophobicContact CB-CG2 4.13Å; V177-V275 HydrophobicContact CG1-CG2 3.7Å; V275-S277 VanDerWaalsContact C-N 3.27Å; V275-S277 PolarHBondContact O-N 2.96Å; V275-G291 WeakPolarHBondContact CG1-O 2.98Å; V275-N382 PolarHBondContact N-OD1 3.41Å; V275-N382 PolarHBondContact O-ND2 3.15Å; V275-N382 PolarHBondContact O-OD1 3.11Å
276C97.4Very high94.9Very high0 Ų046.6 Ų46.60%025%0.251CS..SBendtrans61.625169.9-48.60000116.3Y181 Y282 C289 E294Y181-C276 HydrophobicContact CD1-CB 4.11Å; Y181-C276 HydrophobicContact CD2-CB 4.07Å; Y181-C276 HydrophobicContact CG-CB 3.62Å; C276-Y282 WeakPolarHBondContact CA-OH 3.47Å; C276-Y282 PolarHBondContact N-OH 3.3Å; C276-C289 WeakPolarHBondContact CA-SG 3.44Å; C276-C289 HydrophobicContact CB-CB 3.69Å; C276-C289 WeakPolarHBondContact CB-SG 3.3Å; C276-C289 PolarHBondContact N-SG 3.33Å; C276-C289 WeakPolarHBondContact SG-CB 3.32Å; C276-C289 CovalentContact SG-SG 2.04Å; C276-C289 PolarHBondContact SG-SG 3.44Å; C276-E294 PolarHBondContact N-OE2 2.81Å
277S95.8Very high94.7Very high28 Ų2844.6 Ų44.620%0.19623%0.233CC..  trans-93.4-13.6-177.567.20000114.5V275 L279 Y282 E294V275-S277 VanDerWaalsContact C-N 3.27Å; V275-S277 PolarHBondContact O-N 2.96Å; S277-L279 PolarHBondContact O-N 3.39Å; S277-Y282 PolarHBondContact N-OH 2.86Å; S277-E294 WeakPolarHBondContact CA-OE2 3.37Å; S277-E294 WeakPolarHBondContact CB-OE2 3.43Å; S277-E294 PolarHBondContact N-OE2 3.32Å; S277-E294 PolarHBondContact OG-OE2 2.88Å
278R94.6Very high94.8Very high103 Ų10344.7 Ų44.739%0.38923%0.232SC..  trans-102.254.4-170.1-57.8-175.7-166171.47.3113.9E280 E281 Y282 E294R278-E280 VanDerWaalsContact C-N 3.31Å; R278-E280 PolarHBondContact O-N 3.25Å; R278-E280 VanDerWaalsContact O-N 3.16Å; R278-E281 HydrophobicContact CB-CB 3.91Å; R278-E281 WeakPolarHBondContact CD-OE2 3.48Å; R278-E281 IonicContact CZ-OE2 2.75Å; R278-E281 IonicContact NE-OE2 2.64Å; R278-E281 IonicContact NH1-OE2 2.58Å; R278-E281 PolarHBondContact NH1-OE2 2.76Å; R278-E281 WeakPolarHBondContact O-CA 3.48Å; R278-E281 WeakPolarHBondContact O-CB 3.42Å; R278-E281 PolarHBondContact O-N 3.36Å; R278-Y282 HydrophobicContact CB-CE1 3.96Å; R278-Y282 HydrophobicContact CB-CE2 4.49Å; R278-Y282 PolarHBondContact N-OH 3.37Å; R278-Y282 WeakPolarHBondContact O-CD2 3.05Å; R278-Y282 PolarHBondContact O-N 3.21Å; R278-E294 VanDerWaalsContact CD-OE1 3.3Å; R278-E294 WeakPolarHBondContact CD-OE1 3.41Å; R278-E294 VanDerWaalsContact CG-OE1 3.29Å; R278-E294 WeakPolarHBondContact CG-OE1 3.47Å; R278-E294 IonicContact NE-OE1 3.89Å; R278-E294 PolarHBondContact NH2-O 2.62Å
279L93.6Very high95.2Very high24 Ų2440.3 Ų40.313%0.12621%0.213CC..Hα-helixtrans-44.8-50.8-177.1179.263.1000113.6M185 S277 E281 Y282 N283 Q378M185-L279 HydrophobicContact CB-CD1 4.15Å; S277-L279 PolarHBondContact O-N 3.39Å; L279-E281 VanDerWaalsContact C-N 3.3Å; L279-E281 PolarHBondContact O-N 3.28Å; L279-Y282 PolarHBondContact O-N 3.38Å; L279-Y282 VanDerWaalsContact O-N 3.11Å; L279-N283 WeakPolarHBondContact O-CB 3.36Å; L279-N283 VanDerWaalsContact O-CG 3.25Å; L279-N283 PolarHBondContact O-N 3.48Å; L279-Q378 HydrophobicContact CD1-CG 4.5Å; L279-Q378 HydrophobicContact CD2-CG 4.29Å
280E94.2Very high95.2Very high105 Ų10543 Ų4349%0.49123%0.227SC..Hα-helixtrans-69.1-24.4-177.4-60.6-68.7-168.300113.8R196 R278 N283 S284R196-E280 IonicContact CZ-OE1 2.88Å; R196-E280 IonicContact NE-OE1 3.88Å; R196-E280 IonicContact NH2-OE1 3.67Å; R196-E280 PolarHBondContact NH2-OE1 2.96Å; R196-E280 IonicContact NH2-OE2 3.6Å; R196-E280 PolarHBondContact NH2-OE2 3.19Å; R278-E280 VanDerWaalsContact C-N 3.31Å; R278-E280 PolarHBondContact O-N 3.25Å; R278-E280 VanDerWaalsContact O-N 3.16Å; E280-N283 PolarHBondContact OE2-ND2 3.38Å; E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 2.79Å; E280-S284 VanDerWaalsContact O-N 3.14Å; E280-S284 PolarHBondContact O-OG 3.36Å; E280-S284 VanDerWaalsContact O-OG 3.06Å
281E94.3Very high95.1Very high81 Ų8141.8 Ų41.838%0.37922%0.222SC..Hα-helixtrans-68.4-45.9169.9-169.1178.2165.400109.7R278 L279 S284 H285R278-E281 HydrophobicContact CB-CB 3.91Å; R278-E281 WeakPolarHBondContact CD-OE2 3.48Å; R278-E281 IonicContact CZ-OE2 2.75Å; R278-E281 IonicContact NE-OE2 2.64Å; R278-E281 IonicContact NH1-OE2 2.58Å; R278-E281 PolarHBondContact NH1-OE2 2.76Å; R278-E281 WeakPolarHBondContact O-CA 3.48Å; R278-E281 WeakPolarHBondContact O-CB 3.42Å; R278-E281 PolarHBondContact O-N 3.36Å; L279-E281 VanDerWaalsContact C-N 3.3Å; L279-E281 PolarHBondContact O-N 3.28Å; E281-S284 PolarHBondContact O-N 3.42Å; E281-S284 PolarHBondContact O-OG 3.32Å; E281-H285 PolarHBondContact O-N 2.91Å; E281-H285 VanDerWaalsContact O-N 3.13Å; E281-H285 PolarHBondContact O-ND1 3.22Å; E281-H285 IonicContact OE1-CE1 2.73Å
282Y94.6Very high95.2Very high12 Ų1241.3 Ų41.35%0.04722%0.216CC..Hα-helixtrans-65.6-42.4178.3-43.9-34.3000112.1Y181 C276 S277 R278 L279 S284 H285 Q286 S287 C289 E294Y181-Y282 HydrophobicContact CD2-CE2 4.31Å; Y181-Y282 AromaticContact CE2-CD2 3.56Å; Y181-Y282 HydrophobicContact CE2-CD2 3.56Å; Y181-Y282 AromaticContact CE2-CE2 3.75Å; Y181-Y282 HydrophobicContact CE2-CE2 3.75Å; Y181-Y282 AromaticContact CZ-CD2 3.87Å; C276-Y282 WeakPolarHBondContact CA-OH 3.47Å; C276-Y282 PolarHBondContact N-OH 3.3Å; S277-Y282 PolarHBondContact N-OH 2.86Å; R278-Y282 HydrophobicContact CB-CE1 3.96Å; R278-Y282 HydrophobicContact CB-CE2 4.49Å; R278-Y282 PolarHBondContact N-OH 3.37Å; R278-Y282 WeakPolarHBondContact O-CD2 3.05Å; R278-Y282 PolarHBondContact O-N 3.21Å; L279-Y282 PolarHBondContact O-N 3.38Å; L279-Y282 VanDerWaalsContact O-N 3.11Å; Y282-S284 PolarHBondContact O-N 2.94Å; Y282-H285 CarbonylContact O-C 3.59Å; Y282-H285 PolarHBondContact O-N 3.21Å; Y282-Q286 WeakPolarHBondContact O-CA 3.14Å; Y282-Q286 PolarHBondContact O-N 2.98Å; Y282-S287 PolarHBondContact O-N 3.32Å; Y282-C289 HydrophobicContact CE2-CB 4.02Å; Y282-E294 PolarHBondContact OH-OE1 2.89Å; Y282-E294 PolarHBondContact OH-OE2 3.49Å; Y282-E294 VanDerWaalsContact OH-OE2 3.12Å
283N94.7Very high95.2Very high5 Ų545.5 Ų45.53%0.02724%0.244CC..Hα-helixtrans-56.3-50.3175.3-75.4-11000112D186 I194 L279 E280 H285 Q286D186-N283 PolarHBondContact OD2-ND2 3.05Å; I194-N283 HydrophobicContact CD1-CB 4.05Å; I194-N283 HydrophobicContact CG2-CB 4.34Å; L279-N283 WeakPolarHBondContact O-CB 3.36Å; L279-N283 VanDerWaalsContact O-CG 3.25Å; L279-N283 PolarHBondContact O-N 3.48Å; E280-N283 PolarHBondContact OE2-ND2 3.38Å; N283-H285 VanDerWaalsContact C-N 3.32Å; N283-H285 PolarHBondContact O-N 2.96Å; N283-Q286 PolarHBondContact O-N 3.05Å; N283-Q286 VanDerWaalsContact O-N 3.15Å; N283-Q286 PolarHBondContact O-NE2 2.79Å
284S92.9Very high95.2Very high79 Ų7943.1 Ų43.155%0.55223%0.232SC*.Hα-helixtrans-67.8-31.2-17865.10000113E280 E281 Y282E280-S284 WeakPolarHBondContact O-CB 3.46Å; E280-S284 PolarHBondContact O-N 2.79Å; E280-S284 VanDerWaalsContact O-N 3.14Å; E280-S284 PolarHBondContact O-OG 3.36Å; E280-S284 VanDerWaalsContact O-OG 3.06Å; E281-S284 PolarHBondContact O-N 3.42Å; E281-S284 PolarHBondContact O-OG 3.32Å; Y282-S284 PolarHBondContact O-N 2.94Å
285H91.9Very high95.1Very high122 Ų12243.4 Ų43.457%0.56524%0.239SC*.Hα-helixtrans-87.3-6.1173.2-62.6137.8000114.1E281 Y282 N283 S287E281-H285 PolarHBondContact O-N 2.91Å; E281-H285 VanDerWaalsContact O-N 3.13Å; E281-H285 PolarHBondContact O-ND1 3.22Å; E281-H285 IonicContact OE1-CE1 2.73Å; Y282-H285 CarbonylContact O-C 3.59Å; Y282-H285 PolarHBondContact O-N 3.21Å; N283-H285 VanDerWaalsContact C-N 3.32Å; N283-H285 PolarHBondContact O-N 2.96Å; H285-S287 PolarHBondContact O-N 3.3Å
286Q91.4Very high95.1Very high30 Ų3045.5 Ų45.514%0.1425%0.253CS..THydrogen-bonded Turntrans51.342.4-172.3-58.2-84.1-74.700112.1Q158 Y282 N283Q158-Q286 PolarHBondContact NE2-O 2.74Å; Y282-Q286 WeakPolarHBondContact O-CA 3.14Å; Y282-Q286 PolarHBondContact O-N 2.98Å; N283-Q286 PolarHBondContact O-N 3.05Å; N283-Q286 VanDerWaalsContact O-N 3.15Å; N283-Q286 PolarHBondContact O-NE2 2.79Å
287S91.9Very high95.1Very high32 Ų3245.8 Ų45.822%0.22425%0.254CS..  trans-117.7170.5-175.863.10000112.5Y282 H285Y282-S287 PolarHBondContact O-N 3.32Å; H285-S287 PolarHBondContact O-N 3.3Å
288L95.6Very high95.2Very high7 Ų751.4 Ų51.44%0.03727%0.271CS..  trans-98.2157.1169.6-54.6-174.6000110.7P152 G154 T155 W178 Y181 Y182 M185 N290P152-L288 HydrophobicContact CB-CD1 4.32Å; P152-L288 HydrophobicContact CG-CD1 4.2Å; G154-L288 WeakPolarHBondContact O-CD1 3.45Å; T155-L288 HydrophobicContact CG2-CD2 4.46Å; W178-L288 HydrophobicContact CZ2-CD1 4.48Å; Y181-L288 WeakPolarHBondContact OH-CA 3.32Å; Y182-L288 HydrophobicContact CE2-CD1 4.07Å; Y182-L288 HydrophobicContact CE2-CD2 4.3Å; M185-L288 HydrophobicContact CE-CD2 3.7Å; M185-L288 HydrophobicContact SD-CD2 3.7Å; L288-N290 PolarHBondContact O-N 3.25Å
289C96.6Very high95.3Very high0 Ų046.8 Ų46.80%025%0.253CS..  trans-52.8127.4164.5177.50000110.2W178 Y181 C276 Y282W178-C289 PolarHBondContact NE1-O 2.93Å; Y181-C289 HydrophobicContact CD1-CB 3.58Å; Y181-C289 HydrophobicContact CD2-CB 4.5Å; Y181-C289 HydrophobicContact CE1-CB 3.27Å; Y181-C289 HydrophobicContact CE2-CB 4.27Å; Y181-C289 HydrophobicContact CG-CB 4.2Å; Y181-C289 PolarHBondContact OH-N 3.22Å; C276-C289 WeakPolarHBondContact CA-SG 3.44Å; C276-C289 HydrophobicContact CB-CB 3.69Å; C276-C289 WeakPolarHBondContact CB-SG 3.3Å; C276-C289 PolarHBondContact N-SG 3.33Å; C276-C289 WeakPolarHBondContact SG-CB 3.32Å; C276-C289 CovalentContact SG-SG 2.04Å; C276-C289 PolarHBondContact SG-SG 3.44Å; Y282-C289 HydrophobicContact CE2-CB 4.02Å
290N96.1Very high95.5Very high56 Ų5646.3 Ų46.330%0.29925%0.251SS..  trans-100.55.8-174.168-5.6000114I151 I153 N168 L288 T292I151-N290 VanDerWaalsContact CD1-O 3.27Å; I151-N290 WeakPolarHBondContact CD1-O 3.29Å; I153-N290 HydrophobicContact CB-CB 4.25Å; I153-N290 HydrophobicContact CG2-CB 4.1Å; N168-N290 PolarHBondContact ND2-O 3.3Å; L288-N290 PolarHBondContact O-N 3.25Å; N290-T292 VanDerWaalsContact C-N 3.3Å; N290-T292 WeakPolarHBondContact ND2-CG2 3.35Å; N290-T292 PolarHBondContact ND2-OG1 3.04Å; N290-T292 PolarHBondContact O-N 2.82Å; N290-T292 PolarHBondContact OD1-N 3.25Å; N290-T292 PolarHBondContact OD1-OG1 2.86Å
291G95.5Very high95.7Very high18 Ų1843 Ų4319%0.18624%0.238CC..  trans73.27.4-178.200000115.8I151 V275I151-G291 VanDerWaalsContact CD1-N 3.34Å; V275-G291 WeakPolarHBondContact CG1-O 2.98Å
292T96Very high95.7Very high69 Ų6940.1 Ų40.142%0.42323%0.231SC..  trans-76139178.158.40000112N290 E294N290-T292 VanDerWaalsContact C-N 3.3Å; N290-T292 WeakPolarHBondContact ND2-CG2 3.35Å; N290-T292 PolarHBondContact ND2-OG1 3.04Å; N290-T292 PolarHBondContact O-N 2.82Å; N290-T292 PolarHBondContact OD1-N 3.25Å; N290-T292 PolarHBondContact OD1-OG1 2.86Å; T292-E294 VanDerWaalsContact O-CG 3.3Å; T292-E294 WeakPolarHBondContact O-CG 3.31Å; T292-E294 PolarHBondContact O-N 3.01Å
293P97.6Very high95.8Very high92 Ų9244 Ų4460%0.59725%0.253SS*.  trans-52.6128.9175.3-32.138.4000114.5Q273Q273-P293 HydrophobicContact CB-CB 3.77Å; Q273-P293 HydrophobicContact CB-CG 4.46Å; Q273-P293 HydrophobicContact CG-CB 4.14Å
294E97.6Very high95.9Very high27 Ų2744.8 Ų44.813%0.12626%0.256CS..  trans-109.4-14.2-172.8-59.5-165124.500115I274 C276 S277 R278 Y282 T292I274-E294 HydrophobicContact CG1-CB 4.25Å; I274-E294 PolarHBondContact O-N 2.98Å; C276-E294 PolarHBondContact N-OE2 2.81Å; S277-E294 WeakPolarHBondContact CA-OE2 3.37Å; S277-E294 WeakPolarHBondContact CB-OE2 3.43Å; S277-E294 PolarHBondContact N-OE2 3.32Å; S277-E294 PolarHBondContact OG-OE2 2.88Å; R278-E294 VanDerWaalsContact CD-OE1 3.3Å; R278-E294 WeakPolarHBondContact CD-OE1 3.41Å; R278-E294 VanDerWaalsContact CG-OE1 3.29Å; R278-E294 WeakPolarHBondContact CG-OE1 3.47Å; R278-E294 IonicContact NE-OE1 3.89Å; R278-E294 PolarHBondContact NH2-O 2.62Å; Y282-E294 PolarHBondContact OH-OE1 2.89Å; Y282-E294 PolarHBondContact OH-OE2 3.49Å; Y282-E294 VanDerWaalsContact OH-OE2 3.12Å; T292-E294 VanDerWaalsContact O-CG 3.3Å; T292-E294 WeakPolarHBondContact O-CG 3.31Å; T292-E294 PolarHBondContact O-N 3.01Å
295G97.3Very high96Very high19 Ų1945.2 Ų45.220%0.19625%0.252CS..EExtended strand (participates in β ladder)trans149.8177.9-178.900000112Q273 I274Q273-G295 CarbonylContact C-O 3.21Å; Q273-G295 WeakPolarHBondContact CA-O 3.23Å; Q273-G295 PolarHBondContact OE1-O 2.82Å; I274-G295 PolarHBondContact N-O 3.25Å
296P97.6Very high96.2Very high47 Ų4745.9 Ų45.931%0.30525%0.253SS..EExtended strand (participates in β ladder)trans-71.2154.8178.130.7-36.3000112.5L262 W272L262-P296 HydrophobicContact CD2-CB 4.21Å; L262-P296 HydrophobicContact CD2-CG 3.84Å; W272-P296 WeakPolarHBondContact O-CA 3.19Å
297L97.2Very high96.4Very high5 Ų548.5 Ų48.53%0.02628%0.275CS..  trans-54.8134.2169.3177.459.1000111.3L263 F269 W272 I274 T373 D383L263-L297 HydrophobicContact CD1-CD2 3.8Å; L263-L297 HydrophobicContact CD1-CG 4.42Å; F269-L297 HydrophobicContact CB-CD2 4.46Å; W272-L297 PolarHBondContact O-N 3.41Å; I274-L297 HydrophobicContact CG2-CB 4.12Å; I274-L297 HydrophobicContact CG2-CD1 4.26Å; L297-T373 HydrophobicContact CD1-CG2 3.79Å; L297-D383 HydrophobicContact CD1-CB 3.78Å
298R97.7Very high96.6Very high147 Ų14752 Ų5256%0.55528%0.283SS*.BIsolated β-bridgetrans-118134.2-179.7-61.1-171.1-176.5-159.42.4112N261 L262 G372 T373N261-R298 WeakPolarHBondContact O-CA 3.2Å; N261-R298 WeakPolarHBondContact O-CB 3.22Å; L262-R298 HydrophobicContact CD2-CG 4.47Å; R298-G372 WeakPolarHBondContact O-CA 3.45Å; R298-T373 PolarHBondContact N-OG1 2.84Å; R298-T373 VanDerWaalsContact N-OG1 3.14Å; R298-T373 PolarHBondContact O-N 3.44Å; R298-T373 PolarHBondContact O-OG1 2.8Å
299R97.8Very high96.6Very high5 Ų551.6 Ų51.62%0.01928%0.281CS..  trans-153.5134.7177.6-152-167.1-66.3145-5.9109.8M252 G253 P260 N261 L263 P301 M370 D383 I385M252-R299 PolarHBondContact O-NH1 3.21Å; M252-R299 PolarHBondContact O-NH2 3.31Å; G253-R299 PolarHBondContact O-NH1 3.17Å; P260-R299 VanDerWaalsContact O-O 3.07Å; N261-R299 CarbonylContact C-O 2.94Å; N261-R299 WeakPolarHBondContact CA-O 3.46Å; N261-R299 PolarHBondContact O-N 2.8Å; L263-R299 HydrophobicContact CD2-CB 4.11Å; L263-R299 VanDerWaalsContact CD2-NH1 3.34Å; R299-P301 HydrophobicContact CG-CG 3.94Å; R299-M370 HydrophobicContact CG-CB 4.32Å; R299-M370 HydrophobicContact CG-SD 4.26Å; R299-D383 IonicContact CZ-OD1 3.68Å; R299-D383 IonicContact CZ-OD2 2.84Å; R299-D383 IonicContact NE-OD1 3.4Å; R299-D383 IonicContact NE-OD2 3.29Å; R299-D383 PolarHBondContact NE-OD2 3.15Å; R299-D383 IonicContact NH2-OD1 2.81Å; R299-D383 PolarHBondContact NH2-OD1 3.17Å; R299-D383 IonicContact NH2-OD2 3.99Å; R299-D383 PolarHBondContact NH2-OD2 2.98Å; R299-I385 VanDerWaalsContact CZ-CD1 3.45Å
300N97.8Very high96.4Very high15 Ų1555.5 Ų55.58%0.0831%0.306CS..  trans-143.664.5176.7-167.2-5.3000110.7Q255 P260 N261 G302 N303 M370 N371Q255-N300 PolarHBondContact NE2-OD1 3.02Å; P260-N300 WeakPolarHBondContact O-CB 3.16Å; P260-N300 PolarHBondContact O-OD1 2.73Å; N261-N300 PolarHBondContact OD1-ND2 2.85Å; N300-G302 PolarHBondContact O-N 3.33Å; N300-N303 HydrophobicContact CB-CB 4.26Å; N300-N303 PolarHBondContact ND2-ND2 3.47Å; N300-N303 WeakPolarHBondContact O-CB 3.29Å; N300-N303 PolarHBondContact O-N 3.49Å; N300-N303 VanDerWaalsContact O-N 3.12Å; N300-M370 CarbonylContact C-O 3.58Å; N300-M370 PolarHBondContact N-O 3.13Å; N300-N371 HydrophobicContact CB-CB 4.38Å; N300-N371 WeakPolarHBondContact CB-O 3.38Å; N300-N371 PolarHBondContact N-O 2.85Å; N300-N371 VanDerWaalsContact N-O 3.09Å; N300-N371 WeakPolarHBondContact O-CB 3.35Å
301P97.3Very high96.3Very high34 Ų3458.5 Ų58.522%0.22131%0.313CS..THydrogen-bonded Turntrans-61.5131.8-165.4-15.527.2000112.4C244 C247 R299 Y369 M370C244-P301 HydrophobicContact CB-CB 3.88Å; C244-P301 HydrophobicContact CB-CG 4.13Å; C247-P301 HydrophobicContact CB-CG 4.47Å; R299-P301 HydrophobicContact CG-CG 3.94Å; P301-Y369 HydrophobicContact CB-CD1 4.12Å; P301-Y369 HydrophobicContact CB-CE1 3.49Å; P301-Y369 VanDerWaalsContact CB-CE1 3.49Å; P301-M370 HydrophobicContact CB-SD 3.99Å; P301-M370 HydrophobicContact CG-SD 3.93Å
302G95.4Very high96.3Very high21 Ų2158.2 Ų58.222%0.21631%0.308CS..THydrogen-bonded Turntrans93.2-11.6-176.700000115.5N300 H304 K306 Y369N300-G302 PolarHBondContact O-N 3.33Å; G302-H304 VanDerWaalsContact C-N 3.26Å; G302-H304 WeakPolarHBondContact CA-ND1 3.35Å; G302-H304 PolarHBondContact O-N 2.77Å; G302-K306 WeakPolarHBondContact O-CE 3.29Å; G302-Y369 PolarHBondContact N-O 3.27Å
303N96.8Very high96.4Very high95 Ų9555.1 Ų55.151%0.50829%0.289SS..  trans-90.727.4175.3-169.766.1000113N300 N371N300-N303 HydrophobicContact CB-CB 4.26Å; N300-N303 PolarHBondContact ND2-ND2 3.47Å; N300-N303 WeakPolarHBondContact O-CB 3.29Å; N300-N303 PolarHBondContact O-N 3.49Å; N300-N303 VanDerWaalsContact O-N 3.12Å; N303-N371 HydrophobicContact CB-CB 4.39Å; N303-N371 PolarHBondContact ND2-OD1 3.12Å; N303-N371 PolarHBondContact O-ND2 3.41Å; N303-N371 PolarHBondContact O-OD1 2.81Å
304H96.1Very high96.4Very high20 Ų2051.7 Ų51.79%0.09327%0.267CS..SBendtrans-84.3172.1-177.955.4-91.3000112.9G302 K306 T309 I368 Y369 N371G302-H304 VanDerWaalsContact C-N 3.26Å; G302-H304 WeakPolarHBondContact CA-ND1 3.35Å; G302-H304 PolarHBondContact O-N 2.77Å; H304-K306 PolarHBondContact O-N 3.2Å; H304-K306 VanDerWaalsContact O-N 3.07Å; H304-T309 PolarHBondContact CD2-O 2.96Å; H304-T309 VanDerWaalsContact CD2-O 3.29Å; H304-T309 PolarHBondContact NE2-O 2.61Å; H304-I368 HydrophobicContact CB-CG2 4.01Å; H304-I368 VanDerWaalsContact CB-O 3.22Å; H304-I368 WeakPolarHBondContact CB-O 3.36Å; H304-Y369 AromaticContact CE1-CD2 3.17Å; H304-Y369 WeakPolarHBondContact CE1-CD2 3.35Å; H304-Y369 AromaticContact CE1-CE2 3.58Å; H304-Y369 WeakPolarHBondContact ND1-CA 3.18Å; H304-Y369 AromaticContact ND1-CD2 3.43Å; H304-Y369 WeakPolarHBondContact ND1-CD2 3.38Å; H304-Y369 AromaticContact ND1-CE2 4Å; H304-Y369 AromaticContact ND1-CG 3.89Å; H304-Y369 PolarHBondContact ND1-O 3.2Å; H304-N371 HydrophobicContact CB-CB 4.4Å
305D95.6Very high96.4Very high88 Ų8852.6 Ų52.647%0.47128%0.276SS..  trans-70.2100.8169.3-179.52.2000110.8S307 R308 T309D305-S307 VanDerWaalsContact CG-OG 3.31Å; D305-S307 PolarHBondContact O-N 3.31Å; D305-S307 WeakPolarHBondContact OD1-CA 3.43Å; D305-S307 VanDerWaalsContact OD1-CB 3.32Å; D305-S307 WeakPolarHBondContact OD1-CB 3.48Å; D305-S307 PolarHBondContact OD1-N 3.46Å; D305-S307 PolarHBondContact OD1-OG 3.2Å; D305-S307 PolarHBondContact OD2-OG 2.55Å; D305-R308 HydrophobicContact CB-CB 4.4Å; D305-R308 PolarHBondContact O-N 3.01Å; D305-T309 PolarHBondContact O-N 3.36Å
306K95.9Very high96.5Very high136 Ų13654.9 Ų54.959%0.59129%0.294SS*.THydrogen-bonded Turntrans-71.3-10.1179-64.5-176.2-177.9-175.60114.1G302 H304 T309 P310G302-K306 WeakPolarHBondContact O-CE 3.29Å; H304-K306 PolarHBondContact O-N 3.2Å; H304-K306 VanDerWaalsContact O-N 3.07Å; K306-T309 WeakPolarHBondContact CA-O 3.46Å; K306-P310 WeakPolarHBondContact O-CA 3.41Å
307S95.7Very high96.5Very high85 Ų8552.8 Ų52.859%0.59428%0.28SS*.THydrogen-bonded Turntrans-79.2-34.4171.875.20000111.6D305 Q359D305-S307 VanDerWaalsContact CG-OG 3.31Å; D305-S307 PolarHBondContact O-N 3.31Å; D305-S307 WeakPolarHBondContact OD1-CA 3.43Å; D305-S307 VanDerWaalsContact OD1-CB 3.32Å; D305-S307 WeakPolarHBondContact OD1-CB 3.48Å; D305-S307 PolarHBondContact OD1-N 3.46Å; D305-S307 PolarHBondContact OD1-OG 3.2Å; D305-S307 PolarHBondContact OD2-OG 2.55Å; S307-Q359 PolarHBondContact O-NE2 2.8Å
308R95.9Very high96.6Very high105 Ų10552.7 Ų52.740%0.39628%0.279SS..THydrogen-bonded Turntrans-85.6-38.8176.3-176.8173.4175.1168.10.4113.3D305 Q359 S360 I368D305-R308 HydrophobicContact CB-CB 4.4Å; D305-R308 PolarHBondContact O-N 3.01Å; R308-Q359 CarbonylContact O-C 3.46Å; R308-Q359 WeakPolarHBondContact O-CA 3.42Å; R308-S360 PolarHBondContact NE-OG 3.04Å; R308-S360 PolarHBondContact NH2-OG 3.07Å; R308-S360 PolarHBondContact O-N 2.9Å; R308-I368 HydrophobicContact CG-CD1 4.26Å
309T96.3Very high96.7Very high0 Ų050.2 Ų50.20%027%0.274CS..  trans-130.695.6176.6-65.60000109.2H304 D305 K306 R311 S360 A365H304-T309 PolarHBondContact CD2-O 2.96Å; H304-T309 VanDerWaalsContact CD2-O 3.29Å; H304-T309 PolarHBondContact NE2-O 2.61Å; D305-T309 PolarHBondContact O-N 3.36Å; K306-T309 WeakPolarHBondContact CA-O 3.46Å; T309-R311 PolarHBondContact O-N 2.76Å; T309-S360 PolarHBondContact OG1-O 3.03Å; T309-A365 HydrophobicContact CG2-CB 3.56Å
310P92.2Very high96.7Very high82 Ų8252.7 Ų52.753%0.53229%0.285SS..  trans-75.8-21.7-172.527.5-34.7000114.3K306K306-P310 WeakPolarHBondContact O-CA 3.41Å
311R92.3Very high96.7Very high118 Ų11852 Ų5245%0.44528%0.281SS..SBendtrans-160.7166.2179.758.2172.2-177.379-0.7111.3T309 D317T309-R311 PolarHBondContact O-N 2.76Å; R311-D317 IonicContact CZ-OD1 2.82Å; R311-D317 IonicContact CZ-OD2 3.04Å; R311-D317 VanDerWaalsContact CZ-OD2 3.25Å; R311-D317 IonicContact NH1-OD1 2.78Å; R311-D317 IonicContact NH1-OD2 3.47Å; R311-D317 PolarHBondContact NH1-OD2 2.92Å; R311-D317 VanDerWaalsContact NH2-CG 3.29Å; R311-D317 IonicContact NH2-OD1 2.84Å; R311-D317 PolarHBondContact NH2-OD1 3.46Å; R311-D317 IonicContact NH2-OD2 2.91Å; R311-D317 PolarHBondContact NH2-OD2 3.01Å
312L96.1Very high96.8Very high12 Ų1250.4 Ų50.46%0.06327%0.271CS..PPolyproline II helixtrans-69.5158.7163.3-69.6179.8000111.2A241 L366 Y369A241-L312 HydrophobicContact CB-CD1 4.3Å; A241-L312 WeakPolarHBondContact O-CB 3.43Å; A241-L312 WeakPolarHBondContact O-CD1 3.4Å; L312-L366 HydrophobicContact CD1-CD1 4.45Å; L312-L366 HydrophobicContact CD2-CD1 3.58Å; L312-Y369 HydrophobicContact CD1-CD1 4.28Å; L312-Y369 HydrophobicContact CD1-CD2 4.14Å; L312-Y369 HydrophobicContact CD1-CE1 4.16Å; L312-Y369 HydrophobicContact CD1-CE2 4.03Å; L312-Y369 HydrophobicContact CD1-CG 4.31Å; L312-Y369 HydrophobicContact CD2-CD1 4Å; L312-Y369 HydrophobicContact CD2-CD2 3.63Å; L312-Y369 HydrophobicContact CD2-CE2 4.36Å; L312-Y369 HydrophobicContact CD2-CG 3.47Å; L312-Y369 VanDerWaalsContact CD2-CG 3.47Å; L312-Y369 HydrophobicContact CG-CD1 4.46Å; L312-Y369 HydrophobicContact CG-CD2 3.68Å; L312-Y369 HydrophobicContact CG-CE2 3.97Å; L312-Y369 HydrophobicContact CG-CG 4.01Å
313P97.5Very high96.9Very high4 Ų452.2 Ų52.23%0.02628%0.28CS..PPolyproline II helixtrans-82148.9-174.61.317.8000112W238 D240 D317 M362 A365W238-P313 HydrophobicContact CE3-CB 4.22Å; W238-P313 HydrophobicContact CE3-CG 3.87Å; W238-P313 HydrophobicContact CH2-CB 4.32Å; W238-P313 HydrophobicContact CH2-CG 4.07Å; W238-P313 HydrophobicContact CZ3-CB 3.61Å; W238-P313 HydrophobicContact CZ3-CG 3.54Å; D240-P313 PolarHBondContact N-O 2.95Å; D240-P313 VanDerWaalsContact N-O 3.09Å; P313-D317 HydrophobicContact CB-CB 4.36Å; P313-M362 HydrophobicContact CB-SD 3.87Å; P313-M362 WeakPolarHBondContact CG-O 3.4Å; P313-A365 HydrophobicContact CG-CB 4.28Å
314S98.3Very high97Very high21 Ų2148.6 Ų48.615%0.14726%0.261CS..PPolyproline II helixtrans-100.5166.6-174.366.80000111.8D240 A316 D317 V318D240-S314 WeakPolarHBondContact OD1-CA 3.39Å; D240-S314 WeakPolarHBondContact OD1-CB 3.41Å; S314-A316 PolarHBondContact O-N 3.34Å; S314-A316 PolarHBondContact OG-N 3.31Å; S314-D317 VanDerWaalsContact CB-OD2 3.32Å; S314-D317 WeakPolarHBondContact CB-OD2 3.39Å; S314-D317 PolarHBondContact N-OD2 3.37Å; S314-D317 PolarHBondContact O-N 2.98Å; S314-D317 VanDerWaalsContact O-N 3.16Å; S314-D317 PolarHBondContact OG-N 2.97Å; S314-D317 VanDerWaalsContact OG-N 3.14Å; S314-D317 PolarHBondContact OG-OD2 3.4Å; S314-V318 PolarHBondContact O-N 3.42Å; S314-V318 VanDerWaalsContact O-N 3.17Å
315S98.4Very high97.1Very high45 Ų4552.4 Ų52.432%0.31529%0.286SS..Hα-helixtrans-57.7-29.1168.1-71.30000112.6D240 E319D240-S315 VanDerWaalsContact CG-N 3.35Å; D240-S315 PolarHBondContact OD1-N 2.86Å; D240-S315 WeakPolarHBondContact OD2-CB 3.43Å; D240-S315 PolarHBondContact OD2-N 3.4Å; D240-S315 PolarHBondContact OD2-OG 2.95Å; S315-E319 WeakPolarHBondContact O-CB 3.34Å; S315-E319 PolarHBondContact O-N 3.37Å
316A98.4Very high97.2Very high68 Ų6853 Ų5356%0.56229%0.286SS*.Hα-helixtrans-71.7-37.3176.600000112.8S314 E319 F320S314-A316 PolarHBondContact O-N 3.34Å; S314-A316 PolarHBondContact OG-N 3.31Å; A316-E319 PolarHBondContact O-N 2.98Å; A316-F320 WeakPolarHBondContact O-CB 3.21Å; A316-F320 PolarHBondContact O-N 3.49Å
317D98.6Very high97.3Very high3 Ų346.6 Ų46.62%0.01626%0.258CS..Hα-helixtrans-66.3-39.7175.1-57.2-64.2000110.9R311 P313 S314 C321 P350 M362R311-D317 IonicContact CZ-OD1 2.82Å; R311-D317 IonicContact CZ-OD2 3.04Å; R311-D317 VanDerWaalsContact CZ-OD2 3.25Å; R311-D317 IonicContact NH1-OD1 2.78Å; R311-D317 IonicContact NH1-OD2 3.47Å; R311-D317 PolarHBondContact NH1-OD2 2.92Å; R311-D317 VanDerWaalsContact NH2-CG 3.29Å; R311-D317 IonicContact NH2-OD1 2.84Å; R311-D317 PolarHBondContact NH2-OD1 3.46Å; R311-D317 IonicContact NH2-OD2 2.91Å; R311-D317 PolarHBondContact NH2-OD2 3.01Å; P313-D317 HydrophobicContact CB-CB 4.36Å; S314-D317 VanDerWaalsContact CB-OD2 3.32Å; S314-D317 WeakPolarHBondContact CB-OD2 3.39Å; S314-D317 PolarHBondContact N-OD2 3.37Å; S314-D317 PolarHBondContact O-N 2.98Å; S314-D317 VanDerWaalsContact O-N 3.16Å; S314-D317 PolarHBondContact OG-N 2.97Å; S314-D317 VanDerWaalsContact OG-N 3.14Å; S314-D317 PolarHBondContact OG-OD2 3.4Å; D317-C321 VanDerWaalsContact O-CB 3.26Å; D317-C321 WeakPolarHBondContact O-CB 3.43Å; D317-C321 PolarHBondContact O-N 3.01Å; D317-P350 HydrophobicContact CB-CB 3.74Å; D317-P350 HydrophobicContact CB-CG 3.77Å; D317-P350 WeakPolarHBondContact OD1-CG 3.32Å; D317-M362 HydrophobicContact CB-SD 3.67Å
318V98.8Very high97.3Very high2 Ų243.5 Ų43.51%0.01223%0.234CC..Hα-helixtrans-64.8-45.1174.21760000111.3W238 R239 S314 C321 L322 M362 I396W238-V318 HydrophobicContact CH2-CG2 4.13Å; W238-V318 HydrophobicContact CZ3-CG2 4Å; R239-V318 HydrophobicContact CG-CG2 3.86Å; S314-V318 PolarHBondContact O-N 3.42Å; S314-V318 VanDerWaalsContact O-N 3.17Å; V318-C321 WeakPolarHBondContact O-CB 3.3Å; V318-C321 PolarHBondContact O-N 3.48Å; V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.35Å; V318-L322 WeakPolarHBondContact O-CB 3.21Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.37Å; V318-L322 PolarHBondContact O-N 2.99Å; V318-M362 HydrophobicContact CB-CE 4.47Å; V318-M362 HydrophobicContact CG2-CE 3.86Å; V318-I396 HydrophobicContact CG1-CD1 4.11Å; V318-I396 HydrophobicContact CG1-CG1 4.12Å; V318-I396 HydrophobicContact CG1-CG2 4.18Å; V318-I396 HydrophobicContact CG2-CD1 4.03Å
319E98.6Very high97.4Very high95 Ų9539.1 Ų39.144%0.44422%0.219SC..Hα-helixtrans-67.3-38.8179.1-177.952.4-144.600112.5S315 A316 L322 S323 R403S315-E319 WeakPolarHBondContact O-CB 3.34Å; S315-E319 PolarHBondContact O-N 3.37Å; A316-E319 PolarHBondContact O-N 2.98Å; E319-L322 PolarHBondContact O-N 3.01Å; E319-S323 PolarHBondContact O-N 3.45Å; E319-R403 IonicContact OE1-CZ 3.25Å; E319-R403 IonicContact OE1-NH1 3.86Å; E319-R403 PolarHBondContact OE1-NH1 2.94Å; E319-R403 IonicContact OE1-NH2 2.73Å; E319-R403 PolarHBondContact OE1-NH2 2.88Å; E319-R403 IonicContact OE2-CZ 3.56Å; E319-R403 IonicContact OE2-NH1 2.74Å; E319-R403 PolarHBondContact OE2-NH1 3.27Å; E319-R403 IonicContact OE2-NH2 3.53Å; E319-R403 PolarHBondContact OE2-NH2 3.46Å
320F98.7Very high97.3Very high57 Ų5742.6 Ų42.625%0.2526%0.255CS..Hα-helixtrans-60.3-48.2170.6175.4-86.6000111.1A316 L322 S323 L324 P350A316-F320 WeakPolarHBondContact O-CB 3.21Å; A316-F320 PolarHBondContact O-N 3.49Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.31Å; F320-S323 VanDerWaalsContact O-CB 3.31Å; F320-S323 WeakPolarHBondContact O-CB 3.43Å; F320-S323 PolarHBondContact O-N 3.39Å; F320-S323 PolarHBondContact O-OG 3.43Å; F320-L324 HydrophobicContact CE1-CD1 4.38Å; F320-L324 HydrophobicContact CE1-CD2 4.39Å; F320-L324 HydrophobicContact CE1-CG 4.47Å; F320-L324 HydrophobicContact CZ-CD2 4.39Å; F320-P350 VanDerWaalsContact CB-O 3.22Å; F320-P350 WeakPolarHBondContact CB-O 3.36Å; F320-P350 HydrophobicContact CD1-CB 4.42Å; F320-P350 WeakPolarHBondContact CD1-O 3.4Å; F320-P350 WeakPolarHBondContact CG-O 3.03Å
321C98.6Very high97.3Very high0 Ų040.9 Ų40.90%025%0.245CC..Hα-helixtrans-56.6-46.8178-178.90000111.1D317 V318 S323 L324 F340 T343 M362D317-C321 VanDerWaalsContact O-CB 3.26Å; D317-C321 WeakPolarHBondContact O-CB 3.43Å; D317-C321 PolarHBondContact O-N 3.01Å; V318-C321 WeakPolarHBondContact O-CB 3.3Å; V318-C321 PolarHBondContact O-N 3.48Å; C321-S323 PolarHBondContact O-N 3.48Å; C321-L324 WeakPolarHBondContact O-CB 3.21Å; C321-L324 PolarHBondContact O-N 3.19Å; C321-F340 WeakPolarHBondContact O-CD2 3.47Å; C321-T343 HydrophobicContact CB-CG2 4.13Å; C321-M362 HydrophobicContact CB-CE 3.93Å
322L98.7Very high97.5Very high1 Ų137.5 Ų37.51%0.00524%0.235CC..Hα-helixtrans-65.7-15.8175.8-69.8173.5000114.3V318 E319 F320 F340 I396 Q399 W400 R403 H404V318-L322 HydrophobicContact CG1-CD1 3.91Å; V318-L322 HydrophobicContact CG1-CG 4.35Å; V318-L322 WeakPolarHBondContact O-CB 3.21Å; V318-L322 VanDerWaalsContact O-CG 3.28Å; V318-L322 WeakPolarHBondContact O-CG 3.37Å; V318-L322 PolarHBondContact O-N 2.99Å; E319-L322 PolarHBondContact O-N 3.01Å; F320-L322 VanDerWaalsContact C-N 3.32Å; F320-L322 PolarHBondContact O-N 3.31Å; L322-F340 HydrophobicContact CD2-CE2 4.31Å; L322-I396 HydrophobicContact CD2-CG2 3.75Å; L322-I396 WeakPolarHBondContact CD2-O 3.35Å; L322-I396 HydrophobicContact CG-CG2 4.1Å; L322-Q399 HydrophobicContact CD1-CB 4.04Å; L322-Q399 HydrophobicContact CD2-CB 3.69Å; L322-W400 HydrophobicContact CD2-CB 3.85Å; L322-R403 WeakPolarHBondContact O-CD 3.44Å; L322-R403 PolarHBondContact O-NH1 3.46Å; L322-H404 PolarHBondContact O-NE2 2.9Å
323S98.4Very high97.6Very high60 Ų6038.2 Ų38.242%0.4224%0.239SC..Hα-helixtrans-76.8-22175.381.30000113.7E319 F320 C321 T325E319-S323 PolarHBondContact O-N 3.45Å; F320-S323 VanDerWaalsContact O-CB 3.31Å; F320-S323 WeakPolarHBondContact O-CB 3.43Å; F320-S323 PolarHBondContact O-N 3.39Å; F320-S323 PolarHBondContact O-OG 3.43Å; C321-S323 PolarHBondContact O-N 3.48Å; S323-T325 PolarHBondContact O-N 2.93Å
324L98.4Very high97.5Very high18 Ų1841.4 Ų41.49%0.09425%0.252CS..  trans-67.6121.5-179.7-62.9172.6000110.6F320 C321 F340 T343 W400 H404F320-L324 HydrophobicContact CE1-CD1 4.38Å; F320-L324 HydrophobicContact CE1-CD2 4.39Å; F320-L324 HydrophobicContact CE1-CG 4.47Å; F320-L324 HydrophobicContact CZ-CD2 4.39Å; C321-L324 WeakPolarHBondContact O-CB 3.21Å; C321-L324 PolarHBondContact O-N 3.19Å; L324-F340 HydrophobicContact CB-CB 4.21Å; L324-T343 HydrophobicContact CD1-CG2 4.01Å; L324-T343 VanDerWaalsContact CD1-OG1 3.23Å; L324-T343 WeakPolarHBondContact CD1-OG1 3.22Å; L324-W400 PolarHBondContact O-NE1 3Å; L324-H404 PolarHBondContact O-NE2 3.12Å
325T96.9Very high97.5Very high100 Ų10043 Ų4361%0.61327%0.267SS*.  trans-85.9-18-176.253.30000114.1S323S323-T325 PolarHBondContact O-N 2.93Å
326Q97.6Very high97.4Very high102 Ų10240.9 Ų40.948%0.47725%0.252SS..  trans-92.1122.9178.5-63.5-176.919.300109.7E328 F340Q326-E328 VanDerWaalsContact C-N 3.32Å; Q326-F340 VanDerWaalsContact O-CB 3.23Å; Q326-F340 WeakPolarHBondContact O-CB 3.38Å; Q326-F340 PolarHBondContact O-N 2.97Å
327Y98.4Very high97.4Very high1 Ų141 Ų410%0.00424%0.244CC..SBendtrans-58.2-49.2173.1-179.7-108.9000111P205 L208 P209 S339 F340 R341 F397 W400 Y411 F439P205-Y327 HydrophobicContact CB-CE1 4.3Å; P205-Y327 PolarHBondContact O-OH 3.21Å; L208-Y327 HydrophobicContact CD1-CE2 3.99Å; P209-Y327 VanDerWaalsContact CD-OH 3.32Å; P209-Y327 WeakPolarHBondContact CD-OH 3.21Å; Y327-S339 PolarHBondContact O-OG 2.99Å; Y327-F340 HydrophobicContact CD2-CD1 4.01Å; Y327-F340 HydrophobicContact CE2-CD1 4.31Å; Y327-F340 PolarHBondContact O-N 2.76Å; Y327-R341 HydrophobicContact CE1-CB 4.42Å; Y327-R341 HydrophobicContact CE2-CB 4.28Å; Y327-R341 WeakPolarHBondContact O-CB 3.44Å; Y327-R341 PolarHBondContact O-N 3Å; Y327-F397 HydrophobicContact CE2-CE2 4.06Å; Y327-W400 HydrophobicContact CD2-CE3 4.39Å; Y327-W400 HydrophobicContact CD2-CH2 4.03Å; Y327-W400 AromaticContact CD2-CZ3 3.85Å; Y327-W400 HydrophobicContact CD2-CZ3 3.85Å; Y327-W400 HydrophobicContact CG-CH2 4.31Å; Y327-W400 HydrophobicContact CG-CZ3 4.5Å; Y327-Y411 HydrophobicContact CD1-CD2 4.06Å; Y327-Y411 HydrophobicContact CD1-CE2 4.47Å; Y327-Y411 AromaticContact CE1-CD2 3.56Å; Y327-Y411 HydrophobicContact CE1-CD2 3.56Å; Y327-Y411 AromaticContact CE1-CE2 3.58Å; Y327-Y411 HydrophobicContact CE1-CE2 3.58Å; Y327-F439 HydrophobicContact CD1-CE2 4.14Å; Y327-F439 AromaticContact CD2-CE2 3.46Å; Y327-F439 HydrophobicContact CD2-CE2 3.46Å; Y327-F439 VanDerWaalsContact CD2-CE2 3.46Å; Y327-F439 HydrophobicContact CD2-CZ 4.05Å; Y327-F439 HydrophobicContact CE1-CE2 4.29Å; Y327-F439 HydrophobicContact CE2-CD2 4.26Å; Y327-F439 AromaticContact CE2-CE2 3.6Å; Y327-F439 HydrophobicContact CE2-CE2 3.6Å; Y327-F439 AromaticContact CG-CE2 3.74Å; Y327-F439 HydrophobicContact CG-CE2 3.74Å; Y327-F439 HydrophobicContact CG-CZ 4.02Å
328E97.1Very high97.4Very high19 Ų1946.2 Ų46.29%0.08927%0.266CS..SBendtrans-139.7157.5179.9-164.567.7-99.800109.9P205 Q326 M332 S339 R341 P412P205-E328 WeakPolarHBondContact CD-OE2 3.41Å; P205-E328 HydrophobicContact CG-CG 3.85Å; P205-E328 WeakPolarHBondContact CG-OE2 3.15Å; Q326-E328 VanDerWaalsContact C-N 3.32Å; E328-M332 HydrophobicContact CG-CB 3.8Å; E328-M332 HydrophobicContact CG-CG 3.77Å; E328-S339 VanDerWaalsContact OE1-CB 3.28Å; E328-S339 WeakPolarHBondContact OE1-CB 3.28Å; E328-S339 PolarHBondContact OE1-OG 3.36Å; E328-R341 VanDerWaalsContact CD-NH2 3.32Å; E328-R341 IonicContact OE1-CZ 3.32Å; E328-R341 IonicContact OE1-NE 3.8Å; E328-R341 IonicContact OE1-NH2 3.83Å; E328-R341 PolarHBondContact OE1-NH2 2.86Å; E328-R341 IonicContact OE2-CZ 3.77Å; E328-R341 IonicContact OE2-NE 3.94Å; E328-R341 PolarHBondContact OE2-NE 3.32Å; E328-R341 IonicContact OE2-NH2 3.54Å; E328-R341 PolarHBondContact OE2-NH2 3.12Å; E328-P412 HydrophobicContact CB-CG 4.11Å; E328-P412 HydrophobicContact CG-CG 4.38Å
329S96.3Very high97.4Very high13 Ų1346.1 Ų46.19%0.09127%0.266CS..  trans-146.7167.4179.268.20000112.2S331 M332 A336 N337 S339S329-S331 PolarHBondContact O-N 3.28Å; S329-M332 PolarHBondContact O-N 3.4Å; S329-A336 WeakPolarHBondContact O-CB 3.39Å; S329-N337 WeakPolarHBondContact CB-O 3.1Å; S329-N337 PolarHBondContact OG-O 2.96Å; S329-S339 PolarHBondContact OG-N 3.11Å
330G94.4Very high97.4Very high73 Ų7341.6 Ų41.675%0.75325%0.245SC*.THydrogen-bonded Turntrans57.5-119.116400000114.6M332G330-M332 VanDerWaalsContact C-N 3.29Å
331S93.2Very high97.4Very high47 Ų4738.9 Ų38.933%0.32923%0.233SC..THydrogen-bonded Turntrans-74.9-13.4-178.551.50000114.5S329 D333S329-S331 PolarHBondContact O-N 3.28Å; S331-D333 VanDerWaalsContact CB-OD1 3.28Å; S331-D333 WeakPolarHBondContact CB-OD1 3.38Å; S331-D333 WeakPolarHBondContact CB-OD2 3.31Å; S331-D333 PolarHBondContact O-N 2.69Å; S331-D333 VanDerWaalsContact OG-CG 3.3Å; S331-D333 PolarHBondContact OG-OD1 2.88Å
332M96.7Very high97.4Very high46 Ų4638.9 Ų38.923%0.22723%0.233CC..SBendtrans5730.3-174.8-47.3-176.2-172.300113.7A204 P205 E328 S329 G330 P412 A416 P417A204-M332 WeakPolarHBondContact CB-O 3.46Å; P205-M332 WeakPolarHBondContact CD-O 3.34Å; P205-M332 HydrophobicContact CG-CB 4.1Å; E328-M332 HydrophobicContact CG-CB 3.8Å; E328-M332 HydrophobicContact CG-CG 3.77Å; S329-M332 PolarHBondContact O-N 3.4Å; G330-M332 VanDerWaalsContact C-N 3.29Å; M332-P412 HydrophobicContact CE-CB 4.21Å; M332-P412 HydrophobicContact CE-CG 4.27Å; M332-P412 HydrophobicContact SD-CB 3.57Å; M332-P412 VanDerWaalsContact SD-CB 3.57Å; M332-P412 HydrophobicContact SD-CG 3.66Å; M332-A416 HydrophobicContact CB-CB 4.34Å; M332-A416 HydrophobicContact SD-CB 4.04Å; M332-P417 WeakPolarHBondContact O-CD 3.18Å
333D96.8Very high97.4Very high28 Ų2838.9 Ų38.915%0.1523%0.233CC..SBendtrans-133.5-166.9177.560.829.7000111.2Q68 E203 S331 A335 A336 R341 N342 P417Q68-D333 PolarHBondContact NE2-OD2 3.01Å; E203-D333 CarbonylContact O-C 3.44Å; E203-D333 WeakPolarHBondContact O-CA 3.41Å; S331-D333 VanDerWaalsContact CB-OD1 3.28Å; S331-D333 WeakPolarHBondContact CB-OD1 3.38Å; S331-D333 WeakPolarHBondContact CB-OD2 3.31Å; S331-D333 PolarHBondContact O-N 2.69Å; S331-D333 VanDerWaalsContact OG-CG 3.3Å; S331-D333 PolarHBondContact OG-OD1 2.88Å; D333-A335 PolarHBondContact O-N 2.67Å; D333-A335 WeakPolarHBondContact OD1-CB 3.5Å; D333-A335 PolarHBondContact OD1-N 3.28Å; D333-A336 VanDerWaalsContact O-CB 3.28Å; D333-A336 WeakPolarHBondContact O-CB 3.48Å; D333-A336 PolarHBondContact O-N 3.03Å; D333-R341 PolarHBondContact O-NH2 3.17Å; D333-N342 PolarHBondContact O-OD1 2.86Å; D333-P417 HydrophobicContact CB-CG 4.17Å
334K96.6Very high97.4Very high70 Ų7036 Ų3630%0.30421%0.213SC..THydrogen-bonded Turntrans-55.4-19.4177.645.6171.7171.8-99.30114.5D197 E203 N342 F347D197-K334 IonicContact OD1-NZ 3.72Å; D197-K334 PolarHBondContact OD1-NZ 3.39Å; E203-K334 HydrophobicContact CB-CB 4.27Å; E203-K334 PolarHBondContact O-N 2.99Å; E203-K334 IonicContact OE1-NZ 3.97Å; E203-K334 WeakPolarHBondContact OE2-CD 3.49Å; E203-K334 IonicContact OE2-NZ 2.68Å; E203-K334 PolarHBondContact OE2-NZ 3.36Å; K334-N342 WeakPolarHBondContact CA-OD1 3Å; K334-N342 PolarHBondContact O-ND2 2.88Å; K334-F347 HydrophobicContact CB-CB 4.35Å; K334-F347 HydrophobicContact CB-CD1 3.99Å; K334-F347 HydrophobicContact CB-CD2 4.17Å; K334-F347 HydrophobicContact CB-CE1 4.29Å; K334-F347 HydrophobicContact CB-CE2 4.47Å; K334-F347 HydrophobicContact CB-CG 3.92Å
335A97.3Very high97.5Very high56 Ų5635.2 Ų35.246%0.46321%0.208SC..THydrogen-bonded Turntrans-91.23.2177.400000114.7D333 N337D333-A335 PolarHBondContact O-N 2.67Å; D333-A335 WeakPolarHBondContact OD1-CB 3.5Å; D333-A335 PolarHBondContact OD1-N 3.28Å; A335-N337 PolarHBondContact O-N 3.49Å
336A97.8Very high97.5Very high0 Ų030.4 Ų30.40%018%0.179CC..  trans-67.8119.1-176.300000113.4S329 D333 N342S329-A336 WeakPolarHBondContact O-CB 3.39Å; D333-A336 VanDerWaalsContact O-CB 3.28Å; D333-A336 WeakPolarHBondContact O-CB 3.48Å; D333-A336 PolarHBondContact O-N 3.03Å; A336-N342 HydrophobicContact CB-CB 4.15Å; A336-N342 PolarHBondContact N-ND2 2.81Å; A336-N342 PolarHBondContact O-ND2 3.16Å
337N98.3Very high97.6Very high71 Ų7127 Ų2738%0.3816%0.163SC..THydrogen-bonded Turntrans-91.5135.3178.6-67.8-49000112S329 A335 S339 G353 I354 A355S329-N337 WeakPolarHBondContact CB-O 3.1Å; S329-N337 PolarHBondContact OG-O 2.96Å; A335-N337 PolarHBondContact O-N 3.49Å; N337-S339 PolarHBondContact O-N 3.36Å; N337-G353 CarbonylContact C-O 2.91Å; N337-I354 WeakPolarHBondContact OD1-CA 3.08Å; N337-I354 WeakPolarHBondContact OD1-CG2 3.25Å; N337-A355 PolarHBondContact OD1-N 3.02Å
338F98Very high97.6Very high112 Ų11227.1 Ų27.149%0.49116%0.163SC..THydrogen-bonded Turntrans63.917.9-176.3-44.9-77.2000114.6T352 G353 I354F338-T352 WeakPolarHBondContact CE1-O 3.27Å; F338-G353 PolarHBondContact N-O 3.21Å; F338-I354 HydrophobicContact CZ-CG1 4.26Å
339S98.6Very high97.6Very high0 Ų027.9 Ų27.90%017%0.171CC..  trans-80.5126.8171.21640000110.4Y327 E328 S329 N337 R341 N342 T343Y327-S339 PolarHBondContact O-OG 2.99Å; E328-S339 VanDerWaalsContact OE1-CB 3.28Å; E328-S339 WeakPolarHBondContact OE1-CB 3.28Å; E328-S339 PolarHBondContact OE1-OG 3.36Å; S329-S339 PolarHBondContact OG-N 3.11Å; N337-S339 PolarHBondContact O-N 3.36Å; S339-R341 PolarHBondContact OG-N 3.24Å; S339-N342 WeakPolarHBondContact OG-CB 3.33Å; S339-N342 PolarHBondContact OG-N 3.15Å; S339-T343 WeakPolarHBondContact O-CB 3.28Å; S339-T343 PolarHBondContact O-N 2.83Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 2.71Å
340F98.8Very high97.6Very high0 Ų027.7 Ų27.70%017%0.17CC..Hα-helixtrans-59.8-48.4171.5166.3-108.4000111.1L208 C321 L322 L324 Q326 Y327 N342 T343 L344 I396 F397 W400L208-F340 HydrophobicContact CD1-CD1 4.18Å; L208-F340 HydrophobicContact CD1-CE1 3.59Å; L208-F340 HydrophobicContact CD1-CZ 4.35Å; C321-F340 WeakPolarHBondContact O-CD2 3.47Å; L322-F340 HydrophobicContact CD2-CE2 4.31Å; L324-F340 HydrophobicContact CB-CB 4.21Å; Q326-F340 VanDerWaalsContact O-CB 3.23Å; Q326-F340 WeakPolarHBondContact O-CB 3.38Å; Q326-F340 PolarHBondContact O-N 2.97Å; Y327-F340 HydrophobicContact CD2-CD1 4.01Å; Y327-F340 HydrophobicContact CE2-CD1 4.31Å; Y327-F340 PolarHBondContact O-N 2.76Å; F340-N342 PolarHBondContact O-N 3.19Å; F340-T343 PolarHBondContact O-N 3.09Å; F340-L344 HydrophobicContact CE1-CD2 4.17Å; F340-L344 HydrophobicContact CE2-CB 4.3Å; F340-L344 HydrophobicContact CE2-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CB 4.4Å; F340-L344 HydrophobicContact CZ-CD2 3.51Å; F340-L344 WeakPolarHBondContact O-CB 3.24Å; F340-L344 PolarHBondContact O-N 3.11Å; F340-I396 HydrophobicContact CE2-CG2 4.48Å; F340-F397 HydrophobicContact CE1-CD2 4.09Å; F340-W400 HydrophobicContact CD1-CB 4.37Å; F340-W400 AromaticContact CD1-CD1 3.78Å; F340-W400 AromaticContact CD1-CD2 3.62Å; F340-W400 HydrophobicContact CD1-CD2 3.62Å; F340-W400 AromaticContact CD1-CE2 3.83Å; F340-W400 HydrophobicContact CD1-CE3 4.12Å; F340-W400 AromaticContact CD1-CG 3.68Å; F340-W400 HydrophobicContact CD1-CG 3.68Å; F340-W400 AromaticContact CD1-NE1 3.85Å; F340-W400 HydrophobicContact CD2-CB 4.42Å; F340-W400 AromaticContact CD2-CD1 3.3Å; F340-W400 AromaticContact CD2-CG 3.85Å; F340-W400 HydrophobicContact CD2-CG 3.85Å; F340-W400 AromaticContact CD2-NE1 3.76Å; F340-W400 HydrophobicContact CE1-CB 3.7Å; F340-W400 AromaticContact CE1-CD1 3.95Å; F340-W400 AromaticContact CE1-CD2 3.72Å; F340-W400 HydrophobicContact CE1-CD2 3.72Å; F340-W400 HydrophobicContact CE1-CE3 4.09Å; F340-W400 AromaticContact CE1-CG 3.5Å; F340-W400 HydrophobicContact CE1-CG 3.5Å; F340-W400 HydrophobicContact CE2-CB 3.76Å; F340-W400 AromaticContact CE2-CD1 3.5Å; F340-W400 AromaticContact CE2-CG 3.69Å; F340-W400 HydrophobicContact CE2-CG 3.69Å; F340-W400 AromaticContact CG-CD1 3.45Å; F340-W400 VanDerWaalsContact CG-CD1 3.45Å; F340-W400 HydrophobicContact CG-CD2 4.04Å; F340-W400 AromaticContact CG-CE2 3.9Å; F340-W400 AromaticContact CG-CG 3.85Å; F340-W400 HydrophobicContact CG-CG 3.85Å; F340-W400 AromaticContact CG-NE1 3.46Å; F340-W400 HydrophobicContact CZ-CB 3.34Å; F340-W400 AromaticContact CZ-CD1 3.82Å; F340-W400 HydrophobicContact CZ-CD2 4.24Å; F340-W400 AromaticContact CZ-CG 3.51Å; F340-W400 HydrophobicContact CZ-CG 3.51Å
341R98.7Very high97.7Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-55.8-51.6178.8-175.5-75.6-52.6158.85.7110.8E203 F207 L208 Y327 E328 D333 S339 T343 L344 E345E203-R341 PolarHBondContact O-NH1 2.94Å; F207-R341 HydrophobicContact CB-CG 4.24Å; F207-R341 HydrophobicContact CD1-CG 4.45Å; L208-R341 HydrophobicContact CD1-CG 4.48Å; Y327-R341 HydrophobicContact CE1-CB 4.42Å; Y327-R341 HydrophobicContact CE2-CB 4.28Å; Y327-R341 WeakPolarHBondContact O-CB 3.44Å; Y327-R341 PolarHBondContact O-N 3Å; E328-R341 VanDerWaalsContact CD-NH2 3.32Å; E328-R341 IonicContact OE1-CZ 3.32Å; E328-R341 IonicContact OE1-NE 3.8Å; E328-R341 IonicContact OE1-NH2 3.83Å; E328-R341 PolarHBondContact OE1-NH2 2.86Å; E328-R341 IonicContact OE2-CZ 3.77Å; E328-R341 IonicContact OE2-NE 3.94Å; E328-R341 PolarHBondContact OE2-NE 3.32Å; E328-R341 IonicContact OE2-NH2 3.54Å; E328-R341 PolarHBondContact OE2-NH2 3.12Å; D333-R341 PolarHBondContact O-NH2 3.17Å; S339-R341 PolarHBondContact OG-N 3.24Å; R341-T343 VanDerWaalsContact C-N 3.3Å; R341-T343 PolarHBondContact O-N 3.12Å; R341-L344 PolarHBondContact O-N 2.97Å; R341-E345 VanDerWaalsContact CD-OE2 3.31Å; R341-E345 WeakPolarHBondContact CD-OE2 3.18Å; R341-E345 IonicContact CZ-OE2 2.85Å; R341-E345 IonicContact NE-OE2 2.92Å; R341-E345 IonicContact NH1-OE2 3.84Å; R341-E345 PolarHBondContact NH1-OE2 3.27Å; R341-E345 WeakPolarHBondContact O-CB 3.46Å; R341-E345 PolarHBondContact O-N 3.33Å
342N98.7Very high98Very high0 Ų030.8 Ų30.80%017%0.167CC..Hα-helixtrans-67.7-29.2-177.1-155.142.7000113.3D333 K334 A336 S339 F340 G346 F347 A348D333-N342 PolarHBondContact O-OD1 2.86Å; K334-N342 WeakPolarHBondContact CA-OD1 3Å; K334-N342 PolarHBondContact O-ND2 2.88Å; A336-N342 HydrophobicContact CB-CB 4.15Å; A336-N342 PolarHBondContact N-ND2 2.81Å; A336-N342 PolarHBondContact O-ND2 3.16Å; S339-N342 WeakPolarHBondContact OG-CB 3.33Å; S339-N342 PolarHBondContact OG-N 3.15Å; F340-N342 PolarHBondContact O-N 3.19Å; N342-G346 PolarHBondContact O-N 3.18Å; N342-G346 VanDerWaalsContact O-N 3.14Å; N342-F347 PolarHBondContact O-N 3Å; N342-F347 VanDerWaalsContact O-N 3.1Å; N342-F347 WeakPolarHBondContact OD1-CB 3.47Å; N342-A348 PolarHBondContact O-N 3.33Å
343T98.8Very high98Very high0 Ų028.6 Ų28.60%016%0.156CC..Hα-helixtrans-76.3-43.1175.6-52.90000111.6C321 L324 S339 F340 R341 G346 P350 M362C321-T343 HydrophobicContact CB-CG2 4.13Å; L324-T343 HydrophobicContact CD1-CG2 4.01Å; L324-T343 VanDerWaalsContact CD1-OG1 3.23Å; L324-T343 WeakPolarHBondContact CD1-OG1 3.22Å; S339-T343 WeakPolarHBondContact O-CB 3.28Å; S339-T343 PolarHBondContact O-N 2.83Å; S339-T343 VanDerWaalsContact O-N 3.08Å; S339-T343 PolarHBondContact O-OG1 2.71Å; F340-T343 PolarHBondContact O-N 3.09Å; R341-T343 VanDerWaalsContact C-N 3.3Å; R341-T343 PolarHBondContact O-N 3.12Å; T343-G346 PolarHBondContact O-N 3.34Å; T343-P350 HydrophobicContact CG2-CB 4.12Å; T343-M362 WeakPolarHBondContact O-CB 3.39Å; T343-M362 WeakPolarHBondContact O-CG 3.48Å
344L98.9Very high98.1Very high0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-69-41.2177.9-179.451.8000112L208 F340 R341 G346 M362 H363 V393 I396L208-L344 HydrophobicContact CD1-CD2 3.99Å; L208-L344 HydrophobicContact CD2-CD2 3.78Å; L208-L344 HydrophobicContact CD2-CG 4.33Å; F340-L344 HydrophobicContact CE1-CD2 4.17Å; F340-L344 HydrophobicContact CE2-CB 4.3Å; F340-L344 HydrophobicContact CE2-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CB 4.4Å; F340-L344 HydrophobicContact CZ-CD2 3.51Å; F340-L344 WeakPolarHBondContact O-CB 3.24Å; F340-L344 PolarHBondContact O-N 3.11Å; R341-L344 PolarHBondContact O-N 2.97Å; L344-G346 VanDerWaalsContact C-N 3.27Å; L344-G346 PolarHBondContact O-N 2.81Å; L344-M362 HydrophobicContact CD1-CE 3.94Å; L344-M362 WeakPolarHBondContact O-CB 3.22Å; L344-H363 WeakPolarHBondContact O-CB 3.35Å; L344-H363 PolarHBondContact O-N 3.41Å; L344-H363 VanDerWaalsContact O-N 3.17Å; L344-V393 HydrophobicContact CD1-CG1 4.38Å; L344-V393 HydrophobicContact CD2-CG1 4.13Å; L344-V393 HydrophobicContact CG-CG1 4.06Å; L344-I396 HydrophobicContact CD1-CB 4.03Å; L344-I396 HydrophobicContact CD1-CD1 3.83Å; L344-I396 HydrophobicContact CD1-CG2 3.78Å; L344-I396 HydrophobicContact CD2-CB 4.02Å; L344-I396 HydrophobicContact CD2-CG2 3.88Å; L344-I396 HydrophobicContact CG-CG2 4.49Å
345E98.8Very high98.1Very high1 Ų129.2 Ų29.21%0.00517%0.166CC..Hα-helixtrans-61.7-38173.4-171.6165.1-159.300111.8H202 E203 F207 R341 F347 H363 N364H202-E345 WeakPolarHBondContact CA-OE1 3.44Å; E203-E345 WeakPolarHBondContact CA-OE2 3.46Å; E203-E345 PolarHBondContact N-OE1 2.91Å; E203-E345 PolarHBondContact N-OE2 3.24Å; F207-E345 HydrophobicContact CD1-CB 3.63Å; F207-E345 HydrophobicContact CD1-CG 3.83Å; F207-E345 HydrophobicContact CD2-CG 4.17Å; F207-E345 WeakPolarHBondContact CD2-OE1 3.41Å; F207-E345 HydrophobicContact CE1-CB 3.53Å; F207-E345 HydrophobicContact CE1-CG 3.77Å; F207-E345 HydrophobicContact CE2-CG 4.11Å; F207-E345 HydrophobicContact CG-CB 4.33Å; F207-E345 HydrophobicContact CG-CG 4.06Å; F207-E345 HydrophobicContact CZ-CB 4.15Å; F207-E345 HydrophobicContact CZ-CG 3.93Å; R341-E345 VanDerWaalsContact CD-OE2 3.31Å; R341-E345 WeakPolarHBondContact CD-OE2 3.18Å; R341-E345 IonicContact CZ-OE2 2.85Å; R341-E345 IonicContact NE-OE2 2.92Å; R341-E345 IonicContact NH1-OE2 3.84Å; R341-E345 PolarHBondContact NH1-OE2 3.27Å; R341-E345 WeakPolarHBondContact O-CB 3.46Å; R341-E345 PolarHBondContact O-N 3.33Å; E345-F347 HydrophobicContact CB-CD2 4.45Å; E345-F347 HydrophobicContact CG-CD2 3.93Å; E345-F347 HydrophobicContact CG-CE2 3.79Å; E345-H363 WeakPolarHBondContact O-CB 3.47Å; E345-H363 PolarHBondContact O-ND1 2.82Å; E345-N364 WeakPolarHBondContact O-CB 3.26Å; E345-N364 PolarHBondContact O-N 3.42Å; E345-N364 PolarHBondContact O-ND2 2.69Å; E345-N364 PolarHBondContact O-OD1 3.06Å; E345-N364 VanDerWaalsContact O-OD1 3.13Å
346G98.5Very high98.1Very high0 Ų029.7 Ų29.70%016%0.16CC..THydrogen-bonded Turntrans106.824.8165.800000115.6N342 T343 L344 S360 S361N342-G346 PolarHBondContact O-N 3.18Å; N342-G346 VanDerWaalsContact O-N 3.14Å; T343-G346 PolarHBondContact O-N 3.34Å; L344-G346 VanDerWaalsContact C-N 3.27Å; L344-G346 PolarHBondContact O-N 2.81Å; G346-S360 WeakPolarHBondContact O-CA 3.3Å; G346-S361 WeakPolarHBondContact CA-O 3.45Å; G346-S361 WeakPolarHBondContact CA-OG 3.4Å; G346-S361 PolarHBondContact O-N 3.43Å; G346-S361 PolarHBondContact O-OG 2.54Å
347F98.3Very high97.9Very high31 Ų3134.6 Ų34.614%0.13620%0.201CC..SBendtrans-88.4-19.6166.8-64.9-78.8000112.4E203 K334 N342 E345 A355 D356 N364E203-F347 HydrophobicContact CB-CE2 4.34Å; E203-F347 HydrophobicContact CG-CE2 3.86Å; E203-F347 HydrophobicContact CG-CZ 3.74Å; K334-F347 HydrophobicContact CB-CB 4.35Å; K334-F347 HydrophobicContact CB-CD1 3.99Å; K334-F347 HydrophobicContact CB-CD2 4.17Å; K334-F347 HydrophobicContact CB-CE1 4.29Å; K334-F347 HydrophobicContact CB-CE2 4.47Å; K334-F347 HydrophobicContact CB-CG 3.92Å; N342-F347 PolarHBondContact O-N 3Å; N342-F347 VanDerWaalsContact O-N 3.1Å; N342-F347 WeakPolarHBondContact OD1-CB 3.47Å; E345-F347 HydrophobicContact CB-CD2 4.45Å; E345-F347 HydrophobicContact CG-CD2 3.93Å; E345-F347 HydrophobicContact CG-CE2 3.79Å; F347-A355 WeakPolarHBondContact O-CA 3.13Å; F347-D356 PolarHBondContact O-N 3.38Å; F347-N364 WeakPolarHBondContact CE2-ND2 3.35Å; F347-N364 WeakPolarHBondContact CZ-ND2 3.32Å
348A98.3Very high97.8Very high2 Ų234.7 Ų34.72%0.01721%0.207CC..BIsolated β-bridgetrans-102.2150.2170.800000112.9N342 P350 I354 S361N342-A348 PolarHBondContact O-N 3.33Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å; A348-I354 CarbonylContact C-O 3.6Å; A348-I354 WeakPolarHBondContact CA-O 3.4Å; A348-S361 PolarHBondContact O-OG 3.44Å
349S97.6Very high97.7Very high35 Ų3532.6 Ų32.625%0.24520%0.199CC..  trans-70.3122.8178.6172.40000110.9L351 T352 G353 I354S349-L351 PolarHBondContact O-N 3.28Å; S349-L351 PolarHBondContact OG-N 3.47Å; S349-T352 WeakPolarHBondContact CB-OG1 3.04Å; S349-T352 PolarHBondContact O-N 3.41Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 2.76Å; S349-I354 PolarHBondContact N-O 3.18Å
350P97.2Very high97.6Very high10 Ų1032.7 Ų32.77%0.06520%0.2CC..THydrogen-bonded Turntrans-77.722.7176.636.6-38.5000112.7D317 F320 T343 A348 M362D317-P350 HydrophobicContact CB-CB 3.74Å; D317-P350 HydrophobicContact CB-CG 3.77Å; D317-P350 WeakPolarHBondContact OD1-CG 3.32Å; F320-P350 VanDerWaalsContact CB-O 3.22Å; F320-P350 WeakPolarHBondContact CB-O 3.36Å; F320-P350 HydrophobicContact CD1-CB 4.42Å; F320-P350 WeakPolarHBondContact CD1-O 3.4Å; F320-P350 WeakPolarHBondContact CG-O 3.03Å; T343-P350 HydrophobicContact CG2-CB 4.12Å; A348-P350 WeakPolarHBondContact O-CD 3.43Å; P350-M362 HydrophobicContact CB-CG 4.03Å; P350-M362 HydrophobicContact CB-SD 3.96Å; P350-M362 HydrophobicContact CG-CG 4.15Å; P350-M362 HydrophobicContact CG-SD 4.19Å
351L96.9Very high97.6Very high120 Ų12033.7 Ų33.763%0.62821%0.207SC*.THydrogen-bonded Turntrans-117.6-18170.4-56.1177000112.3S349S349-L351 PolarHBondContact O-N 3.28Å; S349-L351 PolarHBondContact OG-N 3.47Å
352T97.6Very high97.5Very high65 Ų6533.7 Ų33.740%0.39921%0.207SC..THydrogen-bonded Turntrans-138.4-16.5-174.663.80000114.2F338 S349 I354F338-T352 WeakPolarHBondContact CE1-O 3.27Å; S349-T352 WeakPolarHBondContact CB-OG1 3.04Å; S349-T352 PolarHBondContact O-N 3.41Å; T352-I354 PolarHBondContact O-N 2.75Å; T352-I354 PolarHBondContact OG1-N 3.29Å
353G97.4Very high97.5Very high0 Ų034 Ų340%021%0.208CC..  trans72.54-171.600000114N337 F338 S349N337-G353 CarbonylContact C-O 2.91Å; F338-G353 PolarHBondContact N-O 3.21Å; S349-G353 WeakPolarHBondContact O-CA 3.42Å; S349-G353 PolarHBondContact O-N 2.76Å
354I98.3Very high97.5Very high83 Ų8335 Ų3543%0.42621%0.213SC..  trans-88.7134.2-176.7-58.5175.5000109.8N337 F338 A348 S349 T352N337-I354 WeakPolarHBondContact OD1-CA 3.08Å; N337-I354 WeakPolarHBondContact OD1-CG2 3.25Å; F338-I354 HydrophobicContact CZ-CG1 4.26Å; A348-I354 CarbonylContact C-O 3.6Å; A348-I354 WeakPolarHBondContact CA-O 3.4Å; S349-I354 PolarHBondContact N-O 3.18Å; T352-I354 PolarHBondContact O-N 2.75Å; T352-I354 PolarHBondContact OG1-N 3.29Å
355A97.8Very high97.5Very high27 Ų2735 Ų3522%0.22321%0.214CC..BIsolated β-bridgetrans-66.4132.1175.300000111.6N337 F347N337-A355 PolarHBondContact OD1-N 3.02Å; F347-A355 WeakPolarHBondContact O-CA 3.13Å
356D95.8Very high97.5Very high66 Ų6635 Ų3535%0.35321%0.214SC..  trans-139.6101.9178.9-176.4-12.6000110.1F347 S358 Q359F347-D356 PolarHBondContact O-N 3.38Å; D356-S358 PolarHBondContact O-N 3.12Å; D356-S358 VanDerWaalsContact O-N 3.11Å; D356-S358 WeakPolarHBondContact OD1-CA 3.47Å; D356-S358 VanDerWaalsContact OD1-CB 3.31Å; D356-S358 WeakPolarHBondContact OD1-CB 3.39Å; D356-S358 PolarHBondContact OD1-N 3.07Å; D356-S358 PolarHBondContact OD1-OG 3.28Å; D356-S358 PolarHBondContact OD2-OG 2.03Å; D356-Q359 HydrophobicContact CB-CB 4.27Å; D356-Q359 HydrophobicContact CB-CG 4.44Å; D356-Q359 PolarHBondContact O-N 3.48Å; D356-Q359 WeakPolarHBondContact OD2-CG 3.4Å
357A94.2Very high97.5Very high104 Ų10435.7 Ų35.786%0.8622%0.217SC*.THydrogen-bonded Turntrans-66.3-8.9-179.400000114.3
358S95.7Very high97.5Very high73 Ų7335.5 Ų35.551%0.5122%0.217SC..THydrogen-bonded Turntrans-88.1-17172.678.30000113.3D356D356-S358 PolarHBondContact O-N 3.12Å; D356-S358 VanDerWaalsContact O-N 3.11Å; D356-S358 WeakPolarHBondContact OD1-CA 3.47Å; D356-S358 VanDerWaalsContact OD1-CB 3.31Å; D356-S358 WeakPolarHBondContact OD1-CB 3.39Å; D356-S358 PolarHBondContact OD1-N 3.07Å; D356-S358 PolarHBondContact OD1-OG 3.28Å; D356-S358 PolarHBondContact OD2-OG 2.03Å
359Q96.1Very high97.5Very high67 Ų6736.4 Ų36.431%0.31322%0.22SC..  trans-110.7165-177.5-66.3-58.9-7000111.7S307 R308 D356S307-Q359 PolarHBondContact O-NE2 2.8Å; R308-Q359 CarbonylContact O-C 3.46Å; R308-Q359 WeakPolarHBondContact O-CA 3.42Å; D356-Q359 HydrophobicContact CB-CB 4.27Å; D356-Q359 HydrophobicContact CB-CG 4.44Å; D356-Q359 PolarHBondContact O-N 3.48Å; D356-Q359 WeakPolarHBondContact OD2-CG 3.4Å
360S97.4Very high97.5Very high3 Ų334.7 Ų34.72%0.02121%0.209CC..  trans-150.4118169.8-67.50000109.9R308 T309 G346R308-S360 PolarHBondContact NE-OG 3.04Å; R308-S360 PolarHBondContact NH2-OG 3.07Å; R308-S360 PolarHBondContact O-N 2.9Å; T309-S360 PolarHBondContact OG1-O 3.03Å; G346-S360 WeakPolarHBondContact O-CA 3.3Å
361S97.6Very high97.5Very high20 Ų2036.5 Ų36.514%0.1422%0.218CC..  trans-113.1-177.1-171.370.40000111.3G346 A348 H363 N364 A365G346-S361 WeakPolarHBondContact CA-O 3.45Å; G346-S361 WeakPolarHBondContact CA-OG 3.4Å; G346-S361 PolarHBondContact O-N 3.43Å; G346-S361 PolarHBondContact O-OG 2.54Å; A348-S361 PolarHBondContact O-OG 3.44Å; S361-H363 PolarHBondContact O-N 3.37Å; S361-N364 PolarHBondContact O-N 3.08Å; S361-N364 VanDerWaalsContact O-N 3.1Å; S361-A365 WeakPolarHBondContact O-CB 3.42Å; S361-A365 PolarHBondContact O-N 2.79Å
362M98.3Very high97.5Very high1 Ų131.5 Ų31.51%0.00520%0.195CC..Hα-helixtrans47.6-117.1164.5-57.6-61.2-74.400114.6W238 P313 D317 V318 C321 T343 L344 P350W238-M362 HydrophobicContact CH2-CE 4.36Å; P313-M362 HydrophobicContact CB-SD 3.87Å; P313-M362 WeakPolarHBondContact CG-O 3.4Å; D317-M362 HydrophobicContact CB-SD 3.67Å; V318-M362 HydrophobicContact CB-CE 4.47Å; V318-M362 HydrophobicContact CG2-CE 3.86Å; C321-M362 HydrophobicContact CB-CE 3.93Å; T343-M362 WeakPolarHBondContact O-CB 3.39Å; T343-M362 WeakPolarHBondContact O-CG 3.48Å; L344-M362 HydrophobicContact CD1-CE 3.94Å; L344-M362 WeakPolarHBondContact O-CB 3.22Å; P350-M362 HydrophobicContact CB-CG 4.03Å; P350-M362 HydrophobicContact CB-SD 3.96Å; P350-M362 HydrophobicContact CG-CG 4.15Å; P350-M362 HydrophobicContact CG-SD 4.19Å
363H98.8Very high97.5Very high6 Ų628.5 Ų28.53%0.02818%0.177CC..Hα-helixtrans-62.1-55.1176.8150.4-88.9000112.3F207 L344 E345 S361 A365 L366 H367 H389 H390 V393F207-H363 AromaticContact CE2-CE1 3.62Å; F207-H363 AromaticContact CE2-NE2 3.58Å; F207-H363 HydrophobicContact CZ-CB 4.29Å; F207-H363 AromaticContact CZ-CD2 3.63Å; F207-H363 AromaticContact CZ-CE1 3.7Å; F207-H363 AromaticContact CZ-CG 3.68Å; F207-H363 AromaticContact CZ-ND1 3.72Å; F207-H363 AromaticContact CZ-NE2 3.63Å; L344-H363 WeakPolarHBondContact O-CB 3.35Å; L344-H363 PolarHBondContact O-N 3.41Å; L344-H363 VanDerWaalsContact O-N 3.17Å; E345-H363 WeakPolarHBondContact O-CB 3.47Å; E345-H363 PolarHBondContact O-ND1 2.82Å; S361-H363 PolarHBondContact O-N 3.37Å; H363-A365 PolarHBondContact O-N 2.42Å; H363-A365 VanDerWaalsContact O-N 3.11Å; H363-L366 PolarHBondContact O-N 3.02Å; H363-H367 AromaticContact CD2-CD2 3.83Å; H363-H367 AromaticContact CD2-NE2 3.85Å; H363-H367 AromaticContact NE2-CD2 3.77Å; H363-H367 AromaticContact NE2-NE2 3.62Å; H363-H367 PolarHBondContact O-N 3.04Å; H363-H389 WeakPolarHBondContact CA-NE2 3.33Å; H363-H389 AromaticContact CD2-CD2 3.71Å; H363-H389 AromaticContact CD2-NE2 3.19Å; H363-H389 PolarHBondContact CD2-NE2 3.34Å; H363-H389 AromaticContact CG-NE2 3.64Å; H363-H389 PolarHBondContact O-NE2 2.92Å; H363-H390 AromaticContact CD2-CE1 3.58Å; H363-H390 AromaticContact CD2-NE2 3.95Å; H363-H390 AromaticContact NE2-CE1 3.18Å; H363-H390 PolarHBondContact NE2-CE1 2.86Å; H363-H390 AromaticContact NE2-NE2 3.62Å; H363-V393 HydrophobicContact CB-CG2 4.08Å
364N98.7Very high97.5Very high20 Ų2028.6 Ų28.611%0.10718%0.177CC..Hα-helixtrans-55.4-34.6179.9-71.4-15.7000112.4E345 F347 S361 H367 I368E345-N364 WeakPolarHBondContact O-CB 3.26Å; E345-N364 PolarHBondContact O-N 3.42Å; E345-N364 PolarHBondContact O-ND2 2.69Å; E345-N364 PolarHBondContact O-OD1 3.06Å; E345-N364 VanDerWaalsContact O-OD1 3.13Å; F347-N364 WeakPolarHBondContact CE2-ND2 3.35Å; F347-N364 WeakPolarHBondContact CZ-ND2 3.32Å; S361-N364 PolarHBondContact O-N 3.08Å; S361-N364 VanDerWaalsContact O-N 3.1Å; N364-H367 PolarHBondContact O-N 2.78Å; N364-I368 WeakPolarHBondContact O-CB 3.36Å; N364-I368 WeakPolarHBondContact O-CD1 3.39Å; N364-I368 WeakPolarHBondContact O-CG1 3.49Å; N364-I368 PolarHBondContact O-N 3.38Å
365A98.3Very high97.5Very high2 Ų226.9 Ų26.92%0.01717%0.173CC..Hα-helixtrans-61.1-42.8176.300000113T309 P313 S361 H363 Y369T309-A365 HydrophobicContact CG2-CB 3.56Å; P313-A365 HydrophobicContact CG-CB 4.28Å; S361-A365 WeakPolarHBondContact O-CB 3.42Å; S361-A365 PolarHBondContact O-N 2.79Å; H363-A365 PolarHBondContact O-N 2.42Å; H363-A365 VanDerWaalsContact O-N 3.11Å; A365-Y369 WeakPolarHBondContact O-CB 3.47Å; A365-Y369 PolarHBondContact O-N 2.8Å
366L98.4Very high97.4Very high0 Ų029.7 Ų29.70%018%0.181CC..Hα-helixtrans-69.3-42.5179.1-164.977.9000111.2W236 W238 L312 H363 I368 Y369 M370 H389W236-L366 HydrophobicContact CE3-CD2 4.06Å; W236-L366 HydrophobicContact CH2-CD1 3.81Å; W236-L366 HydrophobicContact CZ3-CD1 3.76Å; W236-L366 HydrophobicContact CZ3-CD2 3.74Å; W236-L366 HydrophobicContact CZ3-CG 4.28Å; W238-L366 HydrophobicContact CB-CD1 4.33Å; W238-L366 HydrophobicContact CG-CD1 4.44Å; W238-L366 HydrophobicContact CG-CD2 4.36Å; L312-L366 HydrophobicContact CD1-CD1 4.45Å; L312-L366 HydrophobicContact CD2-CD1 3.58Å; H363-L366 PolarHBondContact O-N 3.02Å; L366-I368 PolarHBondContact O-N 2.8Å; L366-Y369 PolarHBondContact O-N 3.28Å; L366-M370 HydrophobicContact CD1-CE 3.89Å; L366-M370 HydrophobicContact CD2-CE 4.41Å; L366-M370 HydrophobicContact CG-CE 4.04Å; L366-M370 WeakPolarHBondContact O-CG 3.44Å; L366-M370 PolarHBondContact O-N 3.1Å; L366-H389 HydrophobicContact CD2-CB 3.81Å; L366-H389 WeakPolarHBondContact CD2-ND1 3.14Å
367H98.6Very high97.4Very high14 Ų1429.5 Ų29.57%0.06518%0.182CC..Hα-helixtrans-55.5-50.8175.5-84-96000111.6H363 N364 M374 S375 F386 H389 H390H363-H367 AromaticContact CD2-CD2 3.83Å; H363-H367 AromaticContact CD2-NE2 3.85Å; H363-H367 AromaticContact NE2-CD2 3.77Å; H363-H367 AromaticContact NE2-NE2 3.62Å; H363-H367 PolarHBondContact O-N 3.04Å; N364-H367 PolarHBondContact O-N 2.78Å; H367-M374 PolarHBondContact ND1-O 2.71Å; H367-M374 CarbonylContact O-C 3.56Å; H367-S375 VanDerWaalsContact O-CA 3.27Å; H367-S375 WeakPolarHBondContact O-CA 3.49Å; H367-S375 VanDerWaalsContact O-CB 3.25Å; H367-S375 WeakPolarHBondContact O-CB 3.2Å; H367-S375 PolarHBondContact O-N 2.82Å; H367-F386 AromaticContact CE1-CD2 3.88Å; H367-H389 AromaticContact CD2-CD2 3.54Å; H367-H389 AromaticContact CD2-NE2 3.62Å; H367-H389 AromaticContact NE2-CD2 3.28Å; H367-H389 PolarHBondContact NE2-CD2 3.45Å; H367-H389 VanDerWaalsContact NE2-CD2 3.28Å; H367-H389 AromaticContact NE2-NE2 3.82Å; H367-H390 AromaticContact CE1-NE2 3.7Å; H367-H390 AromaticContact NE2-NE2 3.24Å; H367-H390 PolarHBondContact NE2-NE2 3.39Å
368I98.3Very high97.4Very high27 Ų2726.3 Ų26.314%0.13815%0.149CC..Hα-helixtrans-64-44.5177.5-70.9163.7000111.1H304 R308 N364 L366 M370 N371H304-I368 HydrophobicContact CB-CG2 4.01Å; H304-I368 VanDerWaalsContact CB-O 3.22Å; H304-I368 WeakPolarHBondContact CB-O 3.36Å; R308-I368 HydrophobicContact CG-CD1 4.26Å; N364-I368 WeakPolarHBondContact O-CB 3.36Å; N364-I368 WeakPolarHBondContact O-CD1 3.39Å; N364-I368 WeakPolarHBondContact O-CG1 3.49Å; N364-I368 PolarHBondContact O-N 3.38Å; L366-I368 PolarHBondContact O-N 2.8Å; I368-M370 PolarHBondContact O-N 3.32Å; I368-M370 VanDerWaalsContact O-N 3.12Å; I368-N371 PolarHBondContact O-N 3.16Å; I368-N371 VanDerWaalsContact O-N 3.1Å
369Y98.3Very high97.4Very high21 Ų2122.8 Ų22.88%0.08213%0.125CC..Hα-helixtrans-53.5-36.7-175.9173.1-87.6000113.5K243 C244 P301 G302 H304 L312 A365 L366 N371K243-Y369 VanDerWaalsContact CA-OH 3.28Å; K243-Y369 WeakPolarHBondContact CA-OH 3.21Å; C244-Y369 HydrophobicContact CB-CE1 4.18Å; P301-Y369 HydrophobicContact CB-CD1 4.12Å; P301-Y369 HydrophobicContact CB-CE1 3.49Å; P301-Y369 VanDerWaalsContact CB-CE1 3.49Å; G302-Y369 PolarHBondContact N-O 3.27Å; H304-Y369 AromaticContact CE1-CD2 3.17Å; H304-Y369 WeakPolarHBondContact CE1-CD2 3.35Å; H304-Y369 AromaticContact CE1-CE2 3.58Å; H304-Y369 WeakPolarHBondContact ND1-CA 3.18Å; H304-Y369 AromaticContact ND1-CD2 3.43Å; H304-Y369 WeakPolarHBondContact ND1-CD2 3.38Å; H304-Y369 AromaticContact ND1-CE2 4Å; H304-Y369 AromaticContact ND1-CG 3.89Å; H304-Y369 PolarHBondContact ND1-O 3.2Å; L312-Y369 HydrophobicContact CD1-CD1 4.28Å; L312-Y369 HydrophobicContact CD1-CD2 4.14Å; L312-Y369 HydrophobicContact CD1-CE1 4.16Å; L312-Y369 HydrophobicContact CD1-CE2 4.03Å; L312-Y369 HydrophobicContact CD1-CG 4.31Å; L312-Y369 HydrophobicContact CD2-CD1 4Å; L312-Y369 HydrophobicContact CD2-CD2 3.63Å; L312-Y369 HydrophobicContact CD2-CE2 4.36Å; L312-Y369 HydrophobicContact CD2-CG 3.47Å; L312-Y369 VanDerWaalsContact CD2-CG 3.47Å; L312-Y369 HydrophobicContact CG-CD1 4.46Å; L312-Y369 HydrophobicContact CG-CD2 3.68Å; L312-Y369 HydrophobicContact CG-CE2 3.97Å; L312-Y369 HydrophobicContact CG-CG 4.01Å; A365-Y369 WeakPolarHBondContact O-CB 3.47Å; A365-Y369 PolarHBondContact O-N 2.8Å; L366-Y369 PolarHBondContact O-N 3.28Å; Y369-N371 VanDerWaalsContact C-N 3.26Å; Y369-N371 PolarHBondContact O-N 3.26Å
370M98Very high97.5Very high0 Ų019.6 Ų19.60%011%0.11CC..THydrogen-bonded Turntrans-69.2-16.9-176.4-69.5-64.4163.800114.8W236 C244 R299 N300 P301 L366 I368 M374 I385W236-M370 HydrophobicContact CH2-CE 3.75Å; W236-M370 HydrophobicContact CZ3-CE 3.47Å; W236-M370 VanDerWaalsContact CZ3-CE 3.47Å; C244-M370 HydrophobicContact CB-CE 4.05Å; C244-M370 HydrophobicContact CB-SD 4.38Å; R299-M370 HydrophobicContact CG-CB 4.32Å; R299-M370 HydrophobicContact CG-SD 4.26Å; N300-M370 CarbonylContact C-O 3.58Å; N300-M370 PolarHBondContact N-O 3.13Å; P301-M370 HydrophobicContact CB-SD 3.99Å; P301-M370 HydrophobicContact CG-SD 3.93Å; L366-M370 HydrophobicContact CD1-CE 3.89Å; L366-M370 HydrophobicContact CD2-CE 4.41Å; L366-M370 HydrophobicContact CG-CE 4.04Å; L366-M370 WeakPolarHBondContact O-CG 3.44Å; L366-M370 PolarHBondContact O-N 3.1Å; I368-M370 PolarHBondContact O-N 3.32Å; I368-M370 VanDerWaalsContact O-N 3.12Å; M370-M374 HydrophobicContact CB-CB 3.56Å; M370-M374 HydrophobicContact CB-CG 4.15Å; M370-M374 HydrophobicContact CG-CB 3.96Å; M370-M374 HydrophobicContact CG-CG 4.1Å; M370-I385 HydrophobicContact CE-CD1 4.19Å; M370-I385 HydrophobicContact CE-CG2 4.16Å; M370-I385 HydrophobicContact SD-CD1 4.1Å
371N97.6Very high97.6Very high48 Ų4819.5 Ų19.526%0.25711%0.109SC..  trans39.676.9176.6-173.6-119.1000113.9N300 N303 H304 I368 Y369N300-N371 HydrophobicContact CB-CB 4.38Å; N300-N371 WeakPolarHBondContact CB-O 3.38Å; N300-N371 PolarHBondContact N-O 2.85Å; N300-N371 VanDerWaalsContact N-O 3.09Å; N300-N371 WeakPolarHBondContact O-CB 3.35Å; N303-N371 HydrophobicContact CB-CB 4.39Å; N303-N371 PolarHBondContact ND2-OD1 3.12Å; N303-N371 PolarHBondContact O-ND2 3.41Å; N303-N371 PolarHBondContact O-OD1 2.81Å; H304-N371 HydrophobicContact CB-CB 4.4Å; I368-N371 PolarHBondContact O-N 3.16Å; I368-N371 VanDerWaalsContact O-N 3.1Å; Y369-N371 VanDerWaalsContact C-N 3.26Å; Y369-N371 PolarHBondContact O-N 3.26Å
372G96.9Very high97.6Very high15 Ų1518.6 Ų18.616%0.15510%0.103CC..SBendtrans169.6-138.8-175.200000111.8R298 S375R298-G372 WeakPolarHBondContact O-CA 3.45Å; G372-S375 PolarHBondContact N-OG 2.88Å; G372-S375 PolarHBondContact O-N 3.25Å; G372-S375 VanDerWaalsContact O-N 3.16Å; G372-S375 PolarHBondContact O-OG 2.98Å
373T98Very high97.6Very high2 Ų218.6 Ų18.61%0.01210%0.103CC..G310 helixtrans-61.2-44.2179.4-61.30000111.9I274 L297 R298 S375 Q376 G379 S380 N382I274-T373 HydrophobicContact CG2-CG2 4.25Å; L297-T373 HydrophobicContact CD1-CG2 3.79Å; R298-T373 PolarHBondContact N-OG1 2.84Å; R298-T373 VanDerWaalsContact N-OG1 3.14Å; R298-T373 PolarHBondContact O-N 3.44Å; R298-T373 PolarHBondContact O-OG1 2.8Å; T373-S375 PolarHBondContact O-N 2.78Å; T373-S375 VanDerWaalsContact O-N 3.16Å; T373-Q376 PolarHBondContact O-N 2.86Å; T373-Q376 VanDerWaalsContact O-N 3.13Å; T373-G379 VanDerWaalsContact CG2-O 3.22Å; T373-G379 WeakPolarHBondContact CG2-O 3.39Å; T373-S380 WeakPolarHBondContact O-CA 3.18Å; T373-N382 HydrophobicContact CG2-CB 3.62Å
374M97.6Very high97.6Very high1 Ų118.3 Ų18.31%0.00510%0.101CC..G310 helixtrans-54.7-30.5173.2-85.2-65.5-68.300114.4H367 M370 Q376 S380 D383 I385 F386H367-M374 PolarHBondContact ND1-O 2.71Å; H367-M374 CarbonylContact O-C 3.56Å; M370-M374 HydrophobicContact CB-CB 3.56Å; M370-M374 HydrophobicContact CB-CG 4.15Å; M370-M374 HydrophobicContact CG-CB 3.96Å; M370-M374 HydrophobicContact CG-CG 4.1Å; M374-Q376 VanDerWaalsContact C-N 3.31Å; M374-Q376 PolarHBondContact O-N 2.9Å; M374-S380 WeakPolarHBondContact O-CB 3.38Å; M374-D383 HydrophobicContact CG-CB 3.59Å; M374-D383 HydrophobicContact SD-CB 3.89Å; M374-I385 HydrophobicContact CE-CG2 4.29Å; M374-F386 HydrophobicContact SD-CB 3.95Å
375S96.8Very high97.6Very high48 Ų4817.3 Ų17.334%0.33610%0.096SC..G310 helixtrans-85.94.8-178.156.50000114.5H367 G372 T373H367-S375 VanDerWaalsContact O-CA 3.27Å; H367-S375 WeakPolarHBondContact O-CA 3.49Å; H367-S375 VanDerWaalsContact O-CB 3.25Å; H367-S375 WeakPolarHBondContact O-CB 3.2Å; H367-S375 PolarHBondContact O-N 2.82Å; G372-S375 PolarHBondContact N-OG 2.88Å; G372-S375 PolarHBondContact O-N 3.25Å; G372-S375 VanDerWaalsContact O-N 3.16Å; G372-S375 PolarHBondContact O-OG 2.98Å; T373-S375 PolarHBondContact O-N 2.78Å; T373-S375 VanDerWaalsContact O-N 3.16Å
376Q95.8Very high97.6Very high85 Ų8517.2 Ų17.240%0.39710%0.096SC..SBendtrans-108.6116.3172.6-61.9172-3.200107.6T373 M374 Q378 G379 S380T373-Q376 PolarHBondContact O-N 2.86Å; T373-Q376 VanDerWaalsContact O-N 3.13Å; M374-Q376 VanDerWaalsContact C-N 3.31Å; M374-Q376 PolarHBondContact O-N 2.9Å; Q376-Q378 PolarHBondContact O-N 2.82Å; Q376-G379 CarbonylContact O-C 3.4Å; Q376-G379 PolarHBondContact O-N 2.97Å; Q376-G379 VanDerWaalsContact O-N 3.1Å; Q376-S380 WeakPolarHBondContact O-CA 3.48Å; Q376-S380 VanDerWaalsContact O-CB 3.27Å; Q376-S380 WeakPolarHBondContact O-CB 3.32Å; Q376-S380 PolarHBondContact O-N 3.1Å
377V95.9Very high97.7Very high63 Ų6317.2 Ų17.238%0.38210%0.096SC..THydrogen-bonded Turntrans-52-56.2-173.6-178.50000110.8H180 G379 S380H180-V377 VanDerWaalsContact CE1-C 3.42Å; H180-V377 PolarHBondContact CE1-O 3.02Å; H180-V377 PolarHBondContact ND1-O 2.73Å; H180-V377 VanDerWaalsContact NE2-C 3.32Å; H180-V377 WeakPolarHBondContact NE2-CG1 3.49Å; H180-V377 PolarHBondContact NE2-O 2.86Å; V377-G379 VanDerWaalsContact C-N 3.28Å; V377-G379 PolarHBondContact O-N 2.84Å; V377-S380 PolarHBondContact O-N 2.9Å; V377-S380 PolarHBondContact O-OG 3.42Å
378Q94.2Very high97.7Very high36 Ų3616.6 Ų16.617%0.1689%0.093CC..THydrogen-bonded Turntrans-60.4-34.4-178.4-6175.218.500113.2H180 Y181 S184 L279 Q376H180-Q378 PolarHBondContact CE1-O 3.17Å; Y181-Q378 HydrophobicContact CD2-CB 4.16Å; Y181-Q378 HydrophobicContact CD2-CG 4.4Å; S184-Q378 PolarHBondContact O-NE2 3.31Å; S184-Q378 WeakPolarHBondContact OG-CA 3.32Å; L279-Q378 HydrophobicContact CD1-CG 4.5Å; L279-Q378 HydrophobicContact CD2-CG 4.29Å; Q376-Q378 PolarHBondContact O-N 2.82Å
379G96Very high97.7Very high0 Ų015.3 Ų15.30%09%0.086CC..THydrogen-bonded Turntrans-93.9-11.4-177.400000114.9T373 Q376 V377 A381 N382T373-G379 VanDerWaalsContact CG2-O 3.22Å; T373-G379 WeakPolarHBondContact CG2-O 3.39Å; Q376-G379 CarbonylContact O-C 3.4Å; Q376-G379 PolarHBondContact O-N 2.97Å; Q376-G379 VanDerWaalsContact O-N 3.1Å; V377-G379 VanDerWaalsContact C-N 3.28Å; V377-G379 PolarHBondContact O-N 2.84Å; G379-A381 PolarHBondContact O-N 3.43Å; G379-N382 VanDerWaalsContact O-CB 3.32Å; G379-N382 WeakPolarHBondContact O-CB 3.33Å; G379-N382 PolarHBondContact O-N 3.34Å; G379-N382 VanDerWaalsContact O-N 3.15Å; G379-N382 PolarHBondContact O-ND2 3.25Å
380S98.4Very high97.7Very high0 Ų014.3 Ų14.30%08%0.082CC..G310 helixtrans-59.9-42.9-163.156.70000114.2H180 T373 M374 Q376 V377 N382 D383 F386H180-S380 PolarHBondContact NE2-OG 3.14Å; T373-S380 WeakPolarHBondContact O-CA 3.18Å; M374-S380 WeakPolarHBondContact O-CB 3.38Å; Q376-S380 WeakPolarHBondContact O-CA 3.48Å; Q376-S380 VanDerWaalsContact O-CB 3.27Å; Q376-S380 WeakPolarHBondContact O-CB 3.32Å; Q376-S380 PolarHBondContact O-N 3.1Å; V377-S380 PolarHBondContact O-N 2.9Å; V377-S380 PolarHBondContact O-OG 3.42Å; S380-N382 PolarHBondContact O-N 3.07Å; S380-D383 PolarHBondContact O-N 3.13Å; S380-F386 WeakPolarHBondContact OG-CE2 3.31Å
381A98.4Very high97.8Very high0 Ų014.3 Ų14.30%08%0.082CC..G310 helixtrans-60.3-14.9179.900000115.1Y173 V177 H180 W218 G379 D383 F386Y173-A381 VanDerWaalsContact CE1-O 3.27Å; Y173-A381 WeakPolarHBondContact CE1-O 3.14Å; Y173-A381 PolarHBondContact OH-O 3.45Å; V177-A381 HydrophobicContact CG2-CB 4.27Å; H180-A381 HydrophobicContact CB-CB 4.07Å; W218-A381 HydrophobicContact CH2-CB 4.29Å; W218-A381 HydrophobicContact CZ3-CB 4.29Å; G379-A381 PolarHBondContact O-N 3.43Å; A381-D383 PolarHBondContact O-N 3.08Å; A381-F386 HydrophobicContact CB-CD1 4.36Å; A381-F386 HydrophobicContact CB-CD2 3.97Å; A381-F386 HydrophobicContact CB-CE2 4.08Å; A381-F386 HydrophobicContact CB-CG 4.11Å; A381-F386 HydrophobicContact CB-CZ 4.36Å
382N98.8Very high97.9Very high2 Ų212 Ų121%0.0117%0.07CC..G310 helixtrans-62.3-25.5171.3-75.7-80.8000113.1V177 I274 V275 T373 G379 S380V177-N382 HydrophobicContact CG1-CB 4.49Å; V177-N382 VanDerWaalsContact CG1-CG 3.46Å; V177-N382 WeakPolarHBondContact CG1-ND2 3.1Å; I274-N382 WeakPolarHBondContact CA-OD1 3.46Å; I274-N382 HydrophobicContact CB-CB 4.03Å; I274-N382 WeakPolarHBondContact CB-OD1 3.38Å; I274-N382 HydrophobicContact CG2-CB 3.83Å; V275-N382 PolarHBondContact N-OD1 3.41Å; V275-N382 PolarHBondContact O-ND2 3.15Å; V275-N382 PolarHBondContact O-OD1 3.11Å; T373-N382 HydrophobicContact CG2-CB 3.62Å; G379-N382 VanDerWaalsContact O-CB 3.32Å; G379-N382 WeakPolarHBondContact O-CB 3.33Å; G379-N382 PolarHBondContact O-N 3.34Å; G379-N382 VanDerWaalsContact O-N 3.15Å; G379-N382 PolarHBondContact O-ND2 3.25Å; S380-N382 PolarHBondContact O-N 3.07Å
383D98.7Very high97.9Very high0 Ų011.4 Ų11.40%06%0.063CC..SBendtrans-88.2124.7177.2-165.7-40.5000109.9L297 R299 M374 S380 A381 I385 F386L297-D383 HydrophobicContact CD1-CB 3.78Å; R299-D383 IonicContact CZ-OD1 3.68Å; R299-D383 IonicContact CZ-OD2 2.84Å; R299-D383 IonicContact NE-OD1 3.4Å; R299-D383 IonicContact NE-OD2 3.29Å; R299-D383 PolarHBondContact NE-OD2 3.15Å; R299-D383 IonicContact NH2-OD1 2.81Å; R299-D383 PolarHBondContact NH2-OD1 3.17Å; R299-D383 IonicContact NH2-OD2 3.99Å; R299-D383 PolarHBondContact NH2-OD2 2.98Å; M374-D383 HydrophobicContact CG-CB 3.59Å; M374-D383 HydrophobicContact SD-CB 3.89Å; S380-D383 PolarHBondContact O-N 3.13Å; A381-D383 PolarHBondContact O-N 3.08Å; D383-I385 PolarHBondContact O-N 3.05Å; D383-I385 WeakPolarHBondContact OD1-CB 3.28Å; D383-I385 WeakPolarHBondContact OD1-CG1 3.41Å; D383-I385 PolarHBondContact OD1-N 3.13Å; D383-F386 WeakPolarHBondContact O-CB 3.43Å; D383-F386 PolarHBondContact O-N 2.97Å
384P98.3Very high98Very high0 Ų011.6 Ų11.60%06%0.064CC..THydrogen-bonded Turntrans-62.9-13.2179.128-38.2000114.2L138 Y173 M252 F269 F386 L387L138-P384 HydrophobicContact CD1-CB 3.87Å; Y173-P384 WeakPolarHBondContact OH-CA 3.17Å; M252-P384 HydrophobicContact SD-CB 4.39Å; M252-P384 HydrophobicContact SD-CG 4.41Å; F269-P384 HydrophobicContact CB-CG 4.49Å; F269-P384 HydrophobicContact CD1-CB 4.37Å; F269-P384 HydrophobicContact CD1-CG 3.7Å; F269-P384 HydrophobicContact CD2-CG 3.98Å; F269-P384 HydrophobicContact CE1-CB 4.04Å; F269-P384 HydrophobicContact CE1-CG 3.82Å; F269-P384 HydrophobicContact CE2-CG 4.1Å; F269-P384 HydrophobicContact CG-CG 3.78Å; F269-P384 HydrophobicContact CZ-CB 4.21Å; F269-P384 HydrophobicContact CZ-CG 4.02Å; P384-F386 PolarHBondContact O-N 3.47Å; P384-L387 PolarHBondContact O-N 3.14Å
385I98.8Very high98.1Very high0 Ų011.5 Ų11.50%06%0.064CC..Hα-helixtrans-61.8-29.5169-67.8-175.7000111.6W236 I246 M252 R299 M370 M374 D383 L387 L388 H389W236-I385 HydrophobicContact CE3-CG2 4.32Å; W236-I385 HydrophobicContact CZ3-CG2 4.24Å; I246-I385 HydrophobicContact CD1-CD1 4.15Å; I246-I385 HydrophobicContact CD1-CG1 3.9Å; I246-I385 HydrophobicContact CD1-CG2 4.3Å; I246-I385 HydrophobicContact CG1-CD1 4.28Å; M252-I385 HydrophobicContact CB-CD1 4.1Å; M252-I385 HydrophobicContact CB-CG1 3.72Å; M252-I385 HydrophobicContact CG-CG1 3.83Å; R299-I385 VanDerWaalsContact CZ-CD1 3.45Å; M370-I385 HydrophobicContact CE-CD1 4.19Å; M370-I385 HydrophobicContact CE-CG2 4.16Å; M370-I385 HydrophobicContact SD-CD1 4.1Å; M374-I385 HydrophobicContact CE-CG2 4.29Å; D383-I385 PolarHBondContact O-N 3.05Å; D383-I385 WeakPolarHBondContact OD1-CB 3.28Å; D383-I385 WeakPolarHBondContact OD1-CG1 3.41Å; D383-I385 PolarHBondContact OD1-N 3.13Å; I385-L387 VanDerWaalsContact C-N 3.27Å; I385-L387 PolarHBondContact O-N 3.16Å; I385-L388 PolarHBondContact O-N 2.85Å; I385-H389 WeakPolarHBondContact O-CB 3.28Å; I385-H389 PolarHBondContact O-N 2.84Å
386F98.9Very high98.2Very high0 Ų09.2 Ų9.20%05%0.048CC..Hα-helixtrans-50.6-48.4176.4-175.6-75.8000111.6H180 H211 F214 H367 M374 S380 A381 D383 P384 L388 H389 H390H180-F386 AromaticContact CD2-CE2 3.94Å; H180-F386 AromaticContact CD2-CZ 3.61Å; H211-F386 AromaticContact CD2-CZ 3.99Å; F214-F386 AromaticContact CD1-CE1 3.97Å; F214-F386 HydrophobicContact CD1-CE1 3.97Å; F214-F386 HydrophobicContact CE1-CD1 4.31Å; F214-F386 AromaticContact CE1-CE1 3.47Å; F214-F386 HydrophobicContact CE1-CE1 3.47Å; F214-F386 VanDerWaalsContact CE1-CE1 3.47Å; F214-F386 AromaticContact CE1-CZ 3.98Å; F214-F386 HydrophobicContact CE1-CZ 3.98Å; H367-F386 AromaticContact CE1-CD2 3.88Å; M374-F386 HydrophobicContact SD-CB 3.95Å; S380-F386 WeakPolarHBondContact OG-CE2 3.31Å; A381-F386 HydrophobicContact CB-CD1 4.36Å; A381-F386 HydrophobicContact CB-CD2 3.97Å; A381-F386 HydrophobicContact CB-CE2 4.08Å; A381-F386 HydrophobicContact CB-CG 4.11Å; A381-F386 HydrophobicContact CB-CZ 4.36Å; D383-F386 WeakPolarHBondContact O-CB 3.43Å; D383-F386 PolarHBondContact O-N 2.97Å; P384-F386 PolarHBondContact O-N 3.47Å; F386-L388 VanDerWaalsContact C-N 3.34Å; F386-L388 PolarHBondContact O-N 3.15Å; F386-H389 PolarHBondContact O-N 3.33Å; F386-H390 AromaticContact CD1-CD2 3.56Å; F386-H390 AromaticContact CD2-CD2 3.8Å; F386-H390 AromaticContact CD2-NE2 3.74Å; F386-H390 HydrophobicContact CE1-CB 4.28Å; F386-H390 AromaticContact CE1-CD2 3.3Å; F386-H390 WeakPolarHBondContact CE1-CD2 3.36Å; F386-H390 AromaticContact CE1-CG 3.75Å; F386-H390 AromaticContact CE1-NE2 3.73Å; F386-H390 AromaticContact CE2-CD2 3.62Å; F386-H390 AromaticContact CE2-NE2 3.24Å; F386-H390 WeakPolarHBondContact CE2-NE2 3.34Å; F386-H390 AromaticContact CG-CD2 3.77Å; F386-H390 AromaticContact CZ-CD2 3.35Å; F386-H390 WeakPolarHBondContact CZ-CD2 3.38Å; F386-H390 AromaticContact CZ-CE1 3.76Å; F386-H390 AromaticContact CZ-CG 3.96Å; F386-H390 AromaticContact CZ-NE2 3.22Å; F386-H390 WeakPolarHBondContact CZ-NE2 3.2Å; F386-H390 PolarHBondContact O-CD2 3.06Å; F386-H390 VanDerWaalsContact O-CD2 3.32Å; F386-H390 PolarHBondContact O-N 2.93Å
387L98.9Very high98.3Very high0 Ų05.2 Ų5.20%03%0.029CC..Hα-helixtrans-57.3-47.1-178-65.4175.2000111.8F134 L138 Y173 L215 W218 I233 P384 I385 A391F134-L387 HydrophobicContact CZ-CD1 4.39Å; L138-L387 HydrophobicContact CD1-CD1 3.92Å; L138-L387 HydrophobicContact CD2-CD1 3.55Å; L138-L387 HydrophobicContact CG-CD1 4.4Å; Y173-L387 HydrophobicContact CE2-CD1 4.21Å; L215-L387 HydrophobicContact CD2-CD2 4.32Å; W218-L387 HydrophobicContact CD2-CD2 3.58Å; W218-L387 HydrophobicContact CE3-CD2 3.37Å; W218-L387 HydrophobicContact CG-CD2 4.21Å; W218-L387 HydrophobicContact CH2-CD2 4.1Å; W218-L387 HydrophobicContact CZ2-CD2 4.28Å; W218-L387 HydrophobicContact CZ3-CD2 3.63Å; I233-L387 HydrophobicContact CD1-CD2 4.25Å; I233-L387 HydrophobicContact CG2-CB 3.88Å; P384-L387 PolarHBondContact O-N 3.14Å; I385-L387 VanDerWaalsContact C-N 3.27Å; I385-L387 PolarHBondContact O-N 3.16Å; L387-A391 WeakPolarHBondContact O-CB 2.74Å; L387-A391 PolarHBondContact O-N 2.89Å
388L98.9Very high98.4Very high0 Ų02.2 Ų2.20%01%0.011CC..Hα-helixtrans-72.4-33.8-179.2-8663.5000112.6I123 F134 P234 W236 I246 M252 I385 F386 F392I123-L388 HydrophobicContact CB-CD2 3.96Å; I123-L388 HydrophobicContact CD1-CD2 3.68Å; I123-L388 HydrophobicContact CG1-CD2 4.4Å; I123-L388 HydrophobicContact CG2-CD2 3.81Å; F134-L388 HydrophobicContact CE1-CD1 3.99Å; F134-L388 HydrophobicContact CZ-CD1 3.81Å; P234-L388 HydrophobicContact CG-CD1 4.04Å; P234-L388 HydrophobicContact CG-CG 4.32Å; P234-L388 WeakPolarHBondContact O-CG 3.49Å; W236-L388 HydrophobicContact CB-CB 3.9Å; W236-L388 HydrophobicContact CB-CD2 4.11Å; W236-L388 HydrophobicContact CB-CG 4.48Å; W236-L388 PolarHBondContact N-O 2.66Å; W236-L388 VanDerWaalsContact N-O 3.11Å; I246-L388 HydrophobicContact CD1-CD2 3.98Å; M252-L388 HydrophobicContact CE-CD1 3.58Å; M252-L388 HydrophobicContact CE-CD2 3.29Å; M252-L388 HydrophobicContact CE-CG 4.06Å; I385-L388 PolarHBondContact O-N 2.85Å; F386-L388 VanDerWaalsContact C-N 3.34Å; F386-L388 PolarHBondContact O-N 3.15Å; L388-F392 PolarHBondContact O-N 3.45Å
389H98.9Very high98.6Very high0 Ų02 Ų20%01%0.01CC..Hα-helixtrans-65.7-56.9175.7179.156.5000111W238 H363 L366 H367 I385 F386 A391 F392 V393W238-H389 AromaticContact CD1-ND1 3.58Å; W238-H389 AromaticContact CE2-CE1 3.91Å; W238-H389 AromaticContact CE2-ND1 3.92Å; W238-H389 AromaticContact NE1-CE1 3.43Å; W238-H389 PolarHBondContact NE1-CE1 3.19Å; W238-H389 AromaticContact NE1-ND1 3.01Å; W238-H389 PolarHBondContact NE1-ND1 2.84Å; H363-H389 WeakPolarHBondContact CA-NE2 3.33Å; H363-H389 AromaticContact CD2-CD2 3.71Å; H363-H389 AromaticContact CD2-NE2 3.19Å; H363-H389 PolarHBondContact CD2-NE2 3.34Å; H363-H389 AromaticContact CG-NE2 3.64Å; H363-H389 PolarHBondContact O-NE2 2.92Å; L366-H389 HydrophobicContact CD2-CB 3.81Å; L366-H389 WeakPolarHBondContact CD2-ND1 3.14Å; H367-H389 AromaticContact CD2-CD2 3.54Å; H367-H389 AromaticContact CD2-NE2 3.62Å; H367-H389 AromaticContact NE2-CD2 3.28Å; H367-H389 PolarHBondContact NE2-CD2 3.45Å; H367-H389 VanDerWaalsContact NE2-CD2 3.28Å; H367-H389 AromaticContact NE2-NE2 3.82Å; I385-H389 WeakPolarHBondContact O-CB 3.28Å; I385-H389 PolarHBondContact O-N 2.84Å; F386-H389 PolarHBondContact O-N 3.33Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.49Å; H389-F392 WeakPolarHBondContact O-CA 3.5Å; H389-F392 WeakPolarHBondContact O-CB 3.07Å; H389-F392 PolarHBondContact O-N 2.9Å; H389-V393 WeakPolarHBondContact O-CG2 3.43Å; H389-V393 PolarHBondContact O-N 3.49Å
390H98.9Very high98.8Very high1 Ų12 Ų21%0.0051%0.01CC..Hα-helixtrans-66.7-32.7-179.1-74.4-94.2000111.7H211 L215 H363 H367 F386 F392 V393 D394H211-H390 AromaticContact CD2-CE1 3.38Å; H211-H390 PolarHBondContact CD2-CE1 2.99Å; H211-H390 AromaticContact CD2-ND1 3.18Å; H211-H390 PolarHBondContact CD2-ND1 3.33Å; H211-H390 AromaticContact CG-CE1 3.89Å; H211-H390 AromaticContact CG-ND1 3.45Å; H211-H390 AromaticContact NE2-CE1 3.56Å; H211-H390 AromaticContact NE2-ND1 3.86Å; L215-H390 HydrophobicContact CD1-CB 4.06Å; L215-H390 HydrophobicContact CD2-CB 4.3Å; L215-H390 HydrophobicContact CG-CB 4.43Å; H363-H390 AromaticContact CD2-CE1 3.58Å; H363-H390 AromaticContact CD2-NE2 3.95Å; H363-H390 AromaticContact NE2-CE1 3.18Å; H363-H390 PolarHBondContact NE2-CE1 2.86Å; H363-H390 AromaticContact NE2-NE2 3.62Å; H367-H390 AromaticContact CE1-NE2 3.7Å; H367-H390 AromaticContact NE2-NE2 3.24Å; H367-H390 PolarHBondContact NE2-NE2 3.39Å; F386-H390 AromaticContact CD1-CD2 3.56Å; F386-H390 AromaticContact CD2-CD2 3.8Å; F386-H390 AromaticContact CD2-NE2 3.74Å; F386-H390 HydrophobicContact CE1-CB 4.28Å; F386-H390 AromaticContact CE1-CD2 3.3Å; F386-H390 WeakPolarHBondContact CE1-CD2 3.36Å; F386-H390 AromaticContact CE1-CG 3.75Å; F386-H390 AromaticContact CE1-NE2 3.73Å; F386-H390 AromaticContact CE2-CD2 3.62Å; F386-H390 AromaticContact CE2-NE2 3.24Å; F386-H390 WeakPolarHBondContact CE2-NE2 3.34Å; F386-H390 AromaticContact CG-CD2 3.77Å; F386-H390 AromaticContact CZ-CD2 3.35Å; F386-H390 WeakPolarHBondContact CZ-CD2 3.38Å; F386-H390 AromaticContact CZ-CE1 3.76Å; F386-H390 AromaticContact CZ-CG 3.96Å; F386-H390 AromaticContact CZ-NE2 3.22Å; F386-H390 WeakPolarHBondContact CZ-NE2 3.2Å; F386-H390 PolarHBondContact O-CD2 3.06Å; F386-H390 VanDerWaalsContact O-CD2 3.32Å; F386-H390 PolarHBondContact O-N 2.93Å; H390-F392 PolarHBondContact O-N 2.93Å; H390-V393 PolarHBondContact O-N 3.39Å; H390-D394 WeakPolarHBondContact O-CB 3.33Å; H390-D394 PolarHBondContact O-N 2.91Å
391A98.9Very high98.8Very high0 Ų02.7 Ų2.70%01%0.013CC..Hα-helixtrans-60.6-32.6171.300000112.3L215 I233 L387 H389 S395 Y449L215-A391 HydrophobicContact CD1-CB 4.4Å; I233-A391 HydrophobicContact CG2-CB 4.03Å; L387-A391 WeakPolarHBondContact O-CB 2.74Å; L387-A391 PolarHBondContact O-N 2.89Å; H389-A391 VanDerWaalsContact C-N 3.3Å; H389-A391 PolarHBondContact O-N 3.49Å; A391-S395 PolarHBondContact O-N 3.38Å; A391-Y449 WeakPolarHBondContact O-CE1 3.39Å; A391-Y449 PolarHBondContact O-OH 3.17Å
392F98.9Very high98.7Very high0 Ų05.4 Ų5.40%02%0.023CC..Hα-helixtrans-78.3-40.1173.3-168.6-110.3000113.1Y235 W236 D237 W238 R239 L388 H389 H390 D394 S395 I396 Y451Y235-F392 AromaticContact CD2-CD2 3.62Å; Y235-F392 HydrophobicContact CD2-CD2 3.62Å; Y235-F392 HydrophobicContact CD2-CE2 4.27Å; Y235-F392 HydrophobicContact CE2-CD2 4.24Å; Y235-F392 HydrophobicContact CE2-CE2 4.47Å; Y235-F392 HydrophobicContact CG-CD2 4.28Å; W236-F392 VanDerWaalsContact O-CB 3.31Å; W236-F392 WeakPolarHBondContact O-CB 3.47Å; W236-F392 WeakPolarHBondContact O-CG 3.25Å; D237-F392 HydrophobicContact CB-CD2 4.27Å; D237-F392 HydrophobicContact CB-CE2 3.84Å; D237-F392 HydrophobicContact CB-CZ 4.24Å; D237-F392 WeakPolarHBondContact OD1-CZ 3.46Å; W238-F392 AromaticContact CD1-CD1 3.98Å; W238-F392 HydrophobicContact CD2-CD1 4Å; W238-F392 HydrophobicContact CD2-CE1 4.11Å; W238-F392 AromaticContact CE2-CD1 3.46Å; W238-F392 VanDerWaalsContact CE2-CD1 3.46Å; W238-F392 AromaticContact CE2-CE1 3.91Å; W238-F392 HydrophobicContact CE3-CE1 4.3Å; W238-F392 HydrophobicContact CG-CD1 4.35Å; W238-F392 HydrophobicContact CH2-CD1 4.33Å; W238-F392 HydrophobicContact CH2-CE1 4.16Å; W238-F392 AromaticContact CZ2-CD1 3.7Å; W238-F392 HydrophobicContact CZ2-CD1 3.7Å; W238-F392 AromaticContact CZ2-CE1 3.98Å; W238-F392 HydrophobicContact CZ2-CE1 3.98Å; W238-F392 HydrophobicContact CZ3-CE1 4.27Å; W238-F392 AromaticContact NE1-CD1 3.45Å; R239-F392 HydrophobicContact CG-CE1 4Å; R239-F392 HydrophobicContact CG-CZ 3.92Å; L388-F392 PolarHBondContact O-N 3.45Å; H389-F392 WeakPolarHBondContact O-CA 3.5Å; H389-F392 WeakPolarHBondContact O-CB 3.07Å; H389-F392 PolarHBondContact O-N 2.9Å; H390-F392 PolarHBondContact O-N 2.93Å; F392-D394 VanDerWaalsContact C-N 3.28Å; F392-D394 PolarHBondContact O-N 2.93Å; F392-S395 WeakPolarHBondContact CD2-OG 3.34Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.4Å; F392-S395 PolarHBondContact O-N 3.3Å; F392-S395 PolarHBondContact O-OG 2.66Å; F392-I396 HydrophobicContact CD1-CD1 3.98Å; F392-I396 HydrophobicContact CD1-CG1 4.46Å; F392-I396 HydrophobicContact CE1-CD1 3.73Å; F392-I396 HydrophobicContact CE1-CG1 4.19Å; F392-I396 HydrophobicContact CZ-CD1 4.47Å; F392-I396 PolarHBondContact O-N 2.94Å; F392-Y451 HydrophobicContact CE2-CE1 4.42Å
393V98.9Very high98.7Very high2 Ų210.3 Ų10.31%0.0124%0.042CC..Hα-helixtrans-58.2-42.41731750000110.9F207 L208 W238 L344 H363 H389 H390 S395 I396 F397F207-V393 HydrophobicContact CE1-CG1 4.19Å; F207-V393 HydrophobicContact CZ-CG1 4.21Å; L208-V393 HydrophobicContact CD2-CG1 3.71Å; W238-V393 HydrophobicContact CZ2-CG2 4.49Å; L344-V393 HydrophobicContact CD1-CG1 4.38Å; L344-V393 HydrophobicContact CD2-CG1 4.13Å; L344-V393 HydrophobicContact CG-CG1 4.06Å; H363-V393 HydrophobicContact CB-CG2 4.08Å; H389-V393 WeakPolarHBondContact O-CG2 3.43Å; H389-V393 PolarHBondContact O-N 3.49Å; H390-V393 PolarHBondContact O-N 3.39Å; V393-S395 VanDerWaalsContact C-N 3.27Å; V393-S395 PolarHBondContact O-N 2.83Å; V393-I396 PolarHBondContact O-N 3.24Å; V393-I396 VanDerWaalsContact O-N 3.11Å; V393-F397 PolarHBondContact O-N 3.02Å
394D98.9Very high98.6Very high5 Ų512.9 Ų12.93%0.0275%0.054CC..Hα-helixtrans-62.9-30.1173.7-174.431.4000112.7R120 R212 L215 H390 F392 F397 E398 Y447 Y449R120-D394 IonicContact NH1-OD2 3.43Å; R120-D394 PolarHBondContact NH1-OD2 2.68Å; R212-D394 IonicContact CZ-OD1 2.7Å; R212-D394 IonicContact NE-OD1 3.48Å; R212-D394 PolarHBondContact NE-OD1 3Å; R212-D394 PolarHBondContact NH2-O 2.87Å; R212-D394 VanDerWaalsContact NH2-O 3.16Å; R212-D394 IonicContact NH2-OD1 3.56Å; R212-D394 PolarHBondContact NH2-OD1 3.2Å; L215-D394 HydrophobicContact CD1-CB 4.13Å; H390-D394 WeakPolarHBondContact O-CB 3.33Å; H390-D394 PolarHBondContact O-N 2.91Å; F392-D394 VanDerWaalsContact C-N 3.28Å; F392-D394 PolarHBondContact O-N 2.93Å; D394-F397 PolarHBondContact O-N 3.41Å; D394-E398 WeakPolarHBondContact O-CB 3.27Å; D394-E398 PolarHBondContact O-N 3.01Å; D394-Y447 PolarHBondContact OD1-OH 3.36Å; D394-Y447 WeakPolarHBondContact OD2-CE2 3.48Å; D394-Y447 PolarHBondContact OD2-OH 3.36Å; D394-Y449 WeakPolarHBondContact CB-OH 3.45Å; D394-Y449 PolarHBondContact OD2-OH 3.1Å
395S98.9Very high98.5Very high0 Ų022.9 Ų22.90%09%0.091CC..Hα-helixtrans-75.4-28.4172.784.60000113.5A391 F392 V393 Q399 Y451A391-S395 PolarHBondContact O-N 3.38Å; F392-S395 WeakPolarHBondContact CD2-OG 3.34Å; F392-S395 WeakPolarHBondContact O-CA 3.46Å; F392-S395 WeakPolarHBondContact O-CB 3.4Å; F392-S395 PolarHBondContact O-N 3.3Å; F392-S395 PolarHBondContact O-OG 2.66Å; V393-S395 VanDerWaalsContact C-N 3.27Å; V393-S395 PolarHBondContact O-N 2.83Å; S395-Q399 WeakPolarHBondContact O-CG 3.49Å; S395-Q399 PolarHBondContact O-N 3.42Å; S395-Q399 PolarHBondContact O-NE2 3.31Å; S395-Y451 WeakPolarHBondContact CB-OH 3.46Å; S395-Y451 PolarHBondContact OG-OH 3Å
396I98.9Very high98.4Very high0 Ų024.6 Ų24.60%010%0.103CC..Hα-helixtrans-73.1-39170.6-58.7167.9000109.7W238 V318 L322 F340 L344 F392 V393 E398 Q399 W400W238-I396 HydrophobicContact CH2-CD1 3.89Å; W238-I396 HydrophobicContact CZ2-CD1 4.06Å; V318-I396 HydrophobicContact CG1-CD1 4.11Å; V318-I396 HydrophobicContact CG1-CG1 4.12Å; V318-I396 HydrophobicContact CG1-CG2 4.18Å; V318-I396 HydrophobicContact CG2-CD1 4.03Å; L322-I396 HydrophobicContact CD2-CG2 3.75Å; L322-I396 WeakPolarHBondContact CD2-O 3.35Å; L322-I396 HydrophobicContact CG-CG2 4.1Å; F340-I396 HydrophobicContact CE2-CG2 4.48Å; L344-I396 HydrophobicContact CD1-CB 4.03Å; L344-I396 HydrophobicContact CD1-CD1 3.83Å; L344-I396 HydrophobicContact CD1-CG2 3.78Å; L344-I396 HydrophobicContact CD2-CB 4.02Å; L344-I396 HydrophobicContact CD2-CG2 3.88Å; L344-I396 HydrophobicContact CG-CG2 4.49Å; F392-I396 HydrophobicContact CD1-CD1 3.98Å; F392-I396 HydrophobicContact CD1-CG1 4.46Å; F392-I396 HydrophobicContact CE1-CD1 3.73Å; F392-I396 HydrophobicContact CE1-CG1 4.19Å; F392-I396 HydrophobicContact CZ-CD1 4.47Å; F392-I396 PolarHBondContact O-N 2.94Å; V393-I396 PolarHBondContact O-N 3.24Å; V393-I396 VanDerWaalsContact O-N 3.11Å; I396-E398 VanDerWaalsContact C-N 3.34Å; I396-E398 PolarHBondContact O-N 3.16Å; I396-Q399 WeakPolarHBondContact O-CB 3.35Å; I396-Q399 PolarHBondContact O-N 3.03Å; I396-W400 PolarHBondContact O-N 3.45Å
397F98.9Very high98.2Very high0 Ų030.6 Ų30.60%013%0.134CC..Hα-helixtrans-60.1-42.7170.6177.6-145.5000111.9L208 R212 Y327 F340 V393 D394 W400 L401 F439L208-F397 HydrophobicContact CB-CB 4.4Å; L208-F397 HydrophobicContact CB-CD1 3.69Å; L208-F397 HydrophobicContact CB-CD2 4.26Å; L208-F397 HydrophobicContact CB-CE1 3.94Å; L208-F397 HydrophobicContact CB-CE2 4.48Å; L208-F397 HydrophobicContact CB-CG 3.87Å; L208-F397 HydrophobicContact CB-CZ 4.34Å; L208-F397 HydrophobicContact CD1-CB 4.19Å; L208-F397 HydrophobicContact CD1-CD2 3.97Å; L208-F397 HydrophobicContact CD1-CG 4.06Å; L208-F397 HydrophobicContact CD2-CB 4.32Å; L208-F397 HydrophobicContact CG-CG 4.41Å; R212-F397 VanDerWaalsContact CZ-CD1 3.49Å; Y327-F397 HydrophobicContact CE2-CE2 4.06Å; F340-F397 HydrophobicContact CE1-CD2 4.09Å; V393-F397 PolarHBondContact O-N 3.02Å; D394-F397 PolarHBondContact O-N 3.41Å; F397-W400 HydrophobicContact CD2-CE3 4.41Å; F397-W400 HydrophobicContact CE2-CE3 4.35Å; F397-W400 WeakPolarHBondContact O-CB 3.25Å; F397-W400 PolarHBondContact O-N 3.33Å; F397-L401 HydrophobicContact CD1-CD1 4.46Å; F397-L401 HydrophobicContact CD2-CD1 4.05Å; F397-L401 HydrophobicContact CD2-CG 4.01Å; F397-L401 HydrophobicContact CE1-CD1 4.13Å; F397-L401 HydrophobicContact CE2-CD1 3.68Å; F397-L401 HydrophobicContact CE2-CD2 3.86Å; F397-L401 HydrophobicContact CE2-CG 3.69Å; F397-L401 HydrophobicContact CG-CD1 4.43Å; F397-L401 HydrophobicContact CZ-CD1 3.72Å; F397-L401 HydrophobicContact CZ-CD2 4.33Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.45Å; F397-L401 PolarHBondContact O-N 3.43Å; F397-F439 HydrophobicContact CE2-CD2 4.02Å; F397-F439 AromaticContact CE2-CE2 3.95Å; F397-F439 HydrophobicContact CE2-CE2 3.95Å; F397-F439 AromaticContact CZ-CD2 3.75Å; F397-F439 HydrophobicContact CZ-CD2 3.75Å; F397-F439 HydrophobicContact CZ-CE2 4.17Å
398E98.8Very high97.9Very high0 Ų034.5 Ų34.50%015%0.152CC..Hα-helixtrans-64.4-39.7175.3-174.158-161.600113.2R212 D394 I396 W400 L401 R402 S441 S442 L452R212-E398 IonicContact CZ-OE2 3.27Å; R212-E398 IonicContact NH1-OE2 2.73Å; R212-E398 PolarHBondContact NH1-OE2 2.84Å; R212-E398 VanDerWaalsContact NH1-OE2 3.1Å; R212-E398 IonicContact NH2-OE2 2.73Å; R212-E398 PolarHBondContact NH2-OE2 2.83Å; D394-E398 WeakPolarHBondContact O-CB 3.27Å; D394-E398 PolarHBondContact O-N 3.01Å; I396-E398 VanDerWaalsContact C-N 3.34Å; I396-E398 PolarHBondContact O-N 3.16Å; E398-W400 VanDerWaalsContact C-N 3.31Å; E398-W400 PolarHBondContact O-N 2.98Å; E398-L401 PolarHBondContact O-N 3.28Å; E398-R402 WeakPolarHBondContact O-CG 3.4Å; E398-R402 PolarHBondContact O-N 3.38Å; E398-R402 IonicContact OE1-CZ 3.83Å; E398-R402 VanDerWaalsContact OE1-CZ 3.29Å; E398-R402 IonicContact OE1-NE 3.74Å; E398-R402 PolarHBondContact OE1-NE 3.16Å; E398-R402 IonicContact OE1-NH2 3.17Å; E398-R402 PolarHBondContact OE1-NH2 3.24Å; E398-S441 PolarHBondContact OE1-OG 2.87Å; E398-S441 WeakPolarHBondContact OE2-CA 3.37Å; E398-S442 VanDerWaalsContact CD-N 3.32Å; E398-S442 VanDerWaalsContact CD-OG 3.3Å; E398-S442 PolarHBondContact OE1-N 2.81Å; E398-S442 PolarHBondContact OE1-OG 2.73Å; E398-S442 PolarHBondContact OE2-N 3.44Å; E398-L452 HydrophobicContact CB-CD1 4.28Å; E398-L452 HydrophobicContact CG-CD1 4.24Å
399Q98.6Very high97.7Very high33 Ų3340.8 Ų40.815%0.15418%0.182CC..Hα-helixtrans-58.2-44.1171.2-80175.59400111.8L322 S395 I396 R402 R403 Y451 L452L322-Q399 HydrophobicContact CD1-CB 4.04Å; L322-Q399 HydrophobicContact CD2-CB 3.69Å; S395-Q399 WeakPolarHBondContact O-CG 3.49Å; S395-Q399 PolarHBondContact O-N 3.42Å; S395-Q399 PolarHBondContact O-NE2 3.31Å; I396-Q399 WeakPolarHBondContact O-CB 3.35Å; I396-Q399 PolarHBondContact O-N 3.03Å; Q399-R402 PolarHBondContact O-N 2.7Å; Q399-R403 WeakPolarHBondContact O-CB 3.44Å; Q399-R403 PolarHBondContact O-N 3.35Å; Q399-Y451 PolarHBondContact NE2-OH 3.19Å; Q399-L452 HydrophobicContact CG-CD1 3.77Å; Q399-L452 HydrophobicContact CG-CD2 3.38Å; Q399-L452 HydrophobicContact CG-CG 4.24Å
400W98.7Very high97.5Very high0 Ų043.8 Ų43.80%020%0.2CC..Hα-helixtrans-63.2-45.1179-175.688.8000111.7L322 L324 Y327 F340 I396 F397 E398 R402 R403 H404 P406 F439L322-W400 HydrophobicContact CD2-CB 3.85Å; L324-W400 PolarHBondContact O-NE1 3Å; Y327-W400 HydrophobicContact CD2-CE3 4.39Å; Y327-W400 HydrophobicContact CD2-CH2 4.03Å; Y327-W400 AromaticContact CD2-CZ3 3.85Å; Y327-W400 HydrophobicContact CD2-CZ3 3.85Å; Y327-W400 HydrophobicContact CG-CH2 4.31Å; Y327-W400 HydrophobicContact CG-CZ3 4.5Å; F340-W400 HydrophobicContact CD1-CB 4.37Å; F340-W400 AromaticContact CD1-CD1 3.78Å; F340-W400 AromaticContact CD1-CD2 3.62Å; F340-W400 HydrophobicContact CD1-CD2 3.62Å; F340-W400 AromaticContact CD1-CE2 3.83Å; F340-W400 HydrophobicContact CD1-CE3 4.12Å; F340-W400 AromaticContact CD1-CG 3.68Å; F340-W400 HydrophobicContact CD1-CG 3.68Å; F340-W400 AromaticContact CD1-NE1 3.85Å; F340-W400 HydrophobicContact CD2-CB 4.42Å; F340-W400 AromaticContact CD2-CD1 3.3Å; F340-W400 AromaticContact CD2-CG 3.85Å; F340-W400 HydrophobicContact CD2-CG 3.85Å; F340-W400 AromaticContact CD2-NE1 3.76Å; F340-W400 HydrophobicContact CE1-CB 3.7Å; F340-W400 AromaticContact CE1-CD1 3.95Å; F340-W400 AromaticContact CE1-CD2 3.72Å; F340-W400 HydrophobicContact CE1-CD2 3.72Å; F340-W400 HydrophobicContact CE1-CE3 4.09Å; F340-W400 AromaticContact CE1-CG 3.5Å; F340-W400 HydrophobicContact CE1-CG 3.5Å; F340-W400 HydrophobicContact CE2-CB 3.76Å; F340-W400 AromaticContact CE2-CD1 3.5Å; F340-W400 AromaticContact CE2-CG 3.69Å; F340-W400 HydrophobicContact CE2-CG 3.69Å; F340-W400 AromaticContact CG-CD1 3.45Å; F340-W400 VanDerWaalsContact CG-CD1 3.45Å; F340-W400 HydrophobicContact CG-CD2 4.04Å; F340-W400 AromaticContact CG-CE2 3.9Å; F340-W400 AromaticContact CG-CG 3.85Å; F340-W400 HydrophobicContact CG-CG 3.85Å; F340-W400 AromaticContact CG-NE1 3.46Å; F340-W400 HydrophobicContact CZ-CB 3.34Å; F340-W400 AromaticContact CZ-CD1 3.82Å; F340-W400 HydrophobicContact CZ-CD2 4.24Å; F340-W400 AromaticContact CZ-CG 3.51Å; F340-W400 HydrophobicContact CZ-CG 3.51Å; I396-W400 PolarHBondContact O-N 3.45Å; F397-W400 HydrophobicContact CD2-CE3 4.41Å; F397-W400 HydrophobicContact CE2-CE3 4.35Å; F397-W400 WeakPolarHBondContact O-CB 3.25Å; F397-W400 PolarHBondContact O-N 3.33Å; E398-W400 VanDerWaalsContact C-N 3.31Å; E398-W400 PolarHBondContact O-N 2.98Å; W400-R402 PolarHBondContact O-N 2.86Å; W400-R403 PolarHBondContact O-N 3.46Å; W400-H404 AromaticContact CD1-CD2 3.3Å; W400-H404 AromaticContact CD1-NE2 3.61Å; W400-H404 AromaticContact CE2-CD2 3.66Å; W400-H404 AromaticContact CG-CD2 3.79Å; W400-H404 HydrophobicContact CZ2-CB 4.45Å; W400-H404 AromaticContact NE1-CD2 3.2Å; W400-H404 PolarHBondContact NE1-CD2 3.44Å; W400-H404 AromaticContact NE1-NE2 3.54Å; W400-H404 PolarHBondContact O-CD2 3.11Å; W400-H404 PolarHBondContact O-N 3.03Å; W400-P406 HydrophobicContact CH2-CB 4.1Å; W400-P406 HydrophobicContact CH2-CG 3.92Å; W400-P406 HydrophobicContact CZ3-CB 4.37Å; W400-P406 HydrophobicContact CZ3-CG 3.7Å; W400-F439 HydrophobicContact CH2-CZ 4.12Å; W400-F439 AromaticContact CZ3-CE2 3.96Å; W400-F439 HydrophobicContact CZ3-CE2 3.96Å; W400-F439 AromaticContact CZ3-CZ 3.73Å; W400-F439 HydrophobicContact CZ3-CZ 3.73Å
401L98.4Very high97.4Very high14 Ų1443.8 Ų43.87%0.07320%0.2CC..Hα-helixtrans-59.2-45.5174.5-70.3169.7000112.1F397 E398 R403 R405 P406 F439 I440F397-L401 HydrophobicContact CD1-CD1 4.46Å; F397-L401 HydrophobicContact CD2-CD1 4.05Å; F397-L401 HydrophobicContact CD2-CG 4.01Å; F397-L401 HydrophobicContact CE1-CD1 4.13Å; F397-L401 HydrophobicContact CE2-CD1 3.68Å; F397-L401 HydrophobicContact CE2-CD2 3.86Å; F397-L401 HydrophobicContact CE2-CG 3.69Å; F397-L401 HydrophobicContact CG-CD1 4.43Å; F397-L401 HydrophobicContact CZ-CD1 3.72Å; F397-L401 HydrophobicContact CZ-CD2 4.33Å; F397-L401 HydrophobicContact CZ-CG 4.22Å; F397-L401 WeakPolarHBondContact O-CG 3.45Å; F397-L401 PolarHBondContact O-N 3.43Å; E398-L401 PolarHBondContact O-N 3.28Å; L401-R403 PolarHBondContact O-N 3.33Å; L401-R405 VanDerWaalsContact O-CA 3.29Å; L401-R405 WeakPolarHBondContact O-CA 3.46Å; L401-R405 PolarHBondContact O-N 3.04Å; L401-P406 HydrophobicContact CD2-CG 3.82Å; L401-F439 HydrophobicContact CD2-CE2 4.32Å; L401-F439 HydrophobicContact CD2-CZ 4.4Å; L401-I440 WeakPolarHBondContact CD1-O 3.47Å
402R97.3Very high97.4Very high56 Ų5644.4 Ų44.421%0.21120%0.204CC..Hα-helixtrans-65.6-36.7178.1-71.3178.9-167.1-173.810.5113E398 Q399 W400 R405 S442 D448 L452E398-R402 WeakPolarHBondContact O-CG 3.4Å; E398-R402 PolarHBondContact O-N 3.38Å; E398-R402 IonicContact OE1-CZ 3.83Å; E398-R402 VanDerWaalsContact OE1-CZ 3.29Å; E398-R402 IonicContact OE1-NE 3.74Å; E398-R402 PolarHBondContact OE1-NE 3.16Å; E398-R402 IonicContact OE1-NH2 3.17Å; E398-R402 PolarHBondContact OE1-NH2 3.24Å; Q399-R402 PolarHBondContact O-N 2.7Å; W400-R402 PolarHBondContact O-N 2.86Å; R402-R405 WeakPolarHBondContact O-CG 3.5Å; R402-R405 PolarHBondContact O-NE 3.35Å; R402-S442 PolarHBondContact NH2-OG 3.32Å; R402-D448 IonicContact CZ-OD1 3.49Å; R402-D448 IonicContact NH1-OD1 3.02Å; R402-D448 PolarHBondContact NH1-OD1 2.86Å; R402-D448 IonicContact NH1-OD2 3.68Å; R402-D448 PolarHBondContact NH1-OD2 2.9Å; R402-D448 IonicContact NH2-OD1 2.92Å; R402-D448 PolarHBondContact NH2-OD1 3.12Å; R402-D448 IonicContact NH2-OD2 2.97Å; R402-L452 PolarHBondContact NH1-O 2.71Å
403R97.4Very high97.3Very high106 Ų10649.5 Ų49.540%0.423%0.228SC..Hα-helixtrans-72.9-50.7-177.9-178.5-178.4-71.6-148.2-1.8112.4E319 L322 Q399 W400 L401E319-R403 IonicContact OE1-CZ 3.25Å; E319-R403 IonicContact OE1-NH1 3.86Å; E319-R403 PolarHBondContact OE1-NH1 2.94Å; E319-R403 IonicContact OE1-NH2 2.73Å; E319-R403 PolarHBondContact OE1-NH2 2.88Å; E319-R403 IonicContact OE2-CZ 3.56Å; E319-R403 IonicContact OE2-NH1 2.74Å; E319-R403 PolarHBondContact OE2-NH1 3.27Å; E319-R403 IonicContact OE2-NH2 3.53Å; E319-R403 PolarHBondContact OE2-NH2 3.46Å; L322-R403 WeakPolarHBondContact O-CD 3.44Å; L322-R403 PolarHBondContact O-NH1 3.46Å; Q399-R403 WeakPolarHBondContact O-CB 3.44Å; Q399-R403 PolarHBondContact O-N 3.35Å; W400-R403 PolarHBondContact O-N 3.46Å; L401-R403 PolarHBondContact O-N 3.33Å
404H97.3Very high97.2Very high54 Ų5450.6 Ų50.625%0.2524%0.237CC..Hα-helixtrans-96.2-21.6-172.6-63.2-76.2000114.1L322 L324 W400L322-H404 PolarHBondContact O-NE2 2.9Å; L324-H404 PolarHBondContact O-NE2 3.12Å; W400-H404 AromaticContact CD1-CD2 3.3Å; W400-H404 AromaticContact CD1-NE2 3.61Å; W400-H404 AromaticContact CE2-CD2 3.66Å; W400-H404 AromaticContact CG-CD2 3.79Å; W400-H404 HydrophobicContact CZ2-CB 4.45Å; W400-H404 AromaticContact NE1-CD2 3.2Å; W400-H404 PolarHBondContact NE1-CD2 3.44Å; W400-H404 AromaticContact NE1-NE2 3.54Å; W400-H404 PolarHBondContact O-CD2 3.11Å; W400-H404 PolarHBondContact O-N 3.03Å
405R96.6Very high97.1Very high209 Ų20954.9 Ų54.979%0.78926%0.26SS*.  trans47.454.5179.5-55.5-178.7-175.9-176.7-1.9112.8L401 R402L401-R405 VanDerWaalsContact O-CA 3.29Å; L401-R405 WeakPolarHBondContact O-CA 3.46Å; L401-R405 PolarHBondContact O-N 3.04Å; R402-R405 WeakPolarHBondContact O-CG 3.5Å; R402-R405 PolarHBondContact O-NE 3.35Å
406P96.4Very high97Very high36 Ų3654.9 Ų54.923%0.23426%0.26CS..  trans-63.6154.8-175.831.7-39.2000111.7W400 L401 V410 F439W400-P406 HydrophobicContact CH2-CB 4.1Å; W400-P406 HydrophobicContact CH2-CG 3.92Å; W400-P406 HydrophobicContact CZ3-CB 4.37Å; W400-P406 HydrophobicContact CZ3-CG 3.7Å; L401-P406 HydrophobicContact CD2-CG 3.82Å; P406-V410 HydrophobicContact CB-CB 4.06Å; P406-V410 HydrophobicContact CB-CG1 4.32Å; P406-V410 HydrophobicContact CB-CG2 3.93Å; P406-F439 HydrophobicContact CB-CE1 4.17Å; P406-F439 HydrophobicContact CB-CZ 4.3Å; P406-F439 HydrophobicContact CG-CE1 3.9Å; P406-F439 HydrophobicContact CG-CZ 3.92Å
407L94.4Very high97Very high126 Ų12655.4 Ų55.466%0.6626%0.264SS*.  trans-75.7155.3163.3-57.3178.8000109.7E409 V410L407-E409 WeakPolarHBondContact CB-OE2 3.4Å; L407-E409 PolarHBondContact O-N 3.34Å; L407-V410 HydrophobicContact CB-CG2 4.49Å; L407-V410 VanDerWaalsContact O-CB 3.29Å; L407-V410 WeakPolarHBondContact O-CB 3.37Å; L407-V410 WeakPolarHBondContact O-CG2 3.43Å; L407-V410 PolarHBondContact O-N 3.09Å
408Q92.9Very high96.9Very high82 Ų8256 Ų5638%0.38327%0.267SS..G310 helixtrans-66.4-21.2-178.1-157.1-178.217.800112.1V410 Y411 G436Q408-V410 PolarHBondContact O-N 2.89Å; Q408-Y411 PolarHBondContact O-N 3.1Å; Q408-G436 PolarHBondContact NE2-O 3.22Å
409E93.9Very high96.7Very high133 Ų13356.9 Ų56.962%0.62127%0.27SS*.G310 helixtrans-70.9-10.7172.3-61.676.8-172.100114L407 Y411L407-E409 WeakPolarHBondContact CB-OE2 3.4Å; L407-E409 PolarHBondContact O-N 3.34Å; E409-Y411 VanDerWaalsContact C-N 3.26Å
410V95.1Very high96.7Very high63 Ų6355.4 Ų55.438%0.38226%0.263SS..G310 helixtrans-71.5-24.5170.2178.40000111.2P406 L407 Q408 F439P406-V410 HydrophobicContact CB-CB 4.06Å; P406-V410 HydrophobicContact CB-CG1 4.32Å; P406-V410 HydrophobicContact CB-CG2 3.93Å; L407-V410 HydrophobicContact CB-CG2 4.49Å; L407-V410 VanDerWaalsContact O-CB 3.29Å; L407-V410 WeakPolarHBondContact O-CB 3.37Å; L407-V410 WeakPolarHBondContact O-CG2 3.43Å; L407-V410 PolarHBondContact O-N 3.09Å; Q408-V410 PolarHBondContact O-N 2.89Å; V410-F439 HydrophobicContact CB-CE1 4.46Å
411Y97.9Very high96.7Very high0 Ų055.5 Ų55.50%026%0.263CS..SBendtrans-77.6127.5173.7-169.2-74.9000110.3P205 A206 P209 Y327 Q408 E409 E413 H420 R422 N435 F439P205-Y411 HydrophobicContact CB-CE1 4.19Å; P205-Y411 HydrophobicContact CB-CE2 4.03Å; P205-Y411 VanDerWaalsContact CB-OH 3.3Å; P205-Y411 WeakPolarHBondContact CB-OH 3.3Å; P205-Y411 WeakPolarHBondContact O-CE2 3.48Å; P205-Y411 PolarHBondContact O-OH 3.16Å; A206-Y411 WeakPolarHBondContact CA-OH 3.46Å; A206-Y411 PolarHBondContact N-OH 2.84Å; P209-Y411 HydrophobicContact CG-CD2 4.45Å; P209-Y411 HydrophobicContact CG-CE2 3.78Å; Y327-Y411 HydrophobicContact CD1-CD2 4.06Å; Y327-Y411 HydrophobicContact CD1-CE2 4.47Å; Y327-Y411 AromaticContact CE1-CD2 3.56Å; Y327-Y411 HydrophobicContact CE1-CD2 3.56Å; Y327-Y411 AromaticContact CE1-CE2 3.58Å; Y327-Y411 HydrophobicContact CE1-CE2 3.58Å; Q408-Y411 PolarHBondContact O-N 3.1Å; E409-Y411 VanDerWaalsContact C-N 3.26Å; Y411-E413 PolarHBondContact O-N 2.74Å; Y411-H420 WeakPolarHBondContact CE1-O 3.28Å; Y411-H420 PolarHBondContact OH-O 3.32Å; Y411-R422 HydrophobicContact CD1-CB 3.63Å; Y411-R422 HydrophobicContact CD1-CG 3.87Å; Y411-R422 HydrophobicContact CE1-CB 4.15Å; Y411-N435 HydrophobicContact CE1-CB 3.86Å; Y411-N435 HydrophobicContact CE2-CB 4.48Å; Y411-N435 WeakPolarHBondContact OH-CB 3.47Å; Y411-F439 HydrophobicContact CD2-CB 4.22Å; Y411-F439 AromaticContact CD2-CD2 3.67Å; Y411-F439 HydrophobicContact CD2-CD2 3.67Å; Y411-F439 HydrophobicContact CD2-CE2 4.16Å; Y411-F439 AromaticContact CD2-CG 3.9Å; Y411-F439 HydrophobicContact CD2-CG 3.9Å; Y411-F439 HydrophobicContact CG-CD2 4.47Å; Y411-F439 HydrophobicContact CG-CG 4.32Å
412P97.4Very high96.7Very high14 Ų1456.1 Ų56.19%0.09127%0.265CS..  trans-56.1118.4-172.6-29.236.4000115.1P205 E328 M332 A416 N421 R422P205-P412 HydrophobicContact CB-CG 4.41Å; P205-P412 HydrophobicContact CG-CG 3.96Å; E328-P412 HydrophobicContact CB-CG 4.11Å; E328-P412 HydrophobicContact CG-CG 4.38Å; M332-P412 HydrophobicContact CE-CB 4.21Å; M332-P412 HydrophobicContact CE-CG 4.27Å; M332-P412 HydrophobicContact SD-CB 3.57Å; M332-P412 VanDerWaalsContact SD-CB 3.57Å; M332-P412 HydrophobicContact SD-CG 3.66Å; P412-A416 HydrophobicContact CB-CB 4.41Å; P412-N421 CarbonylContact O-C 3.33Å; P412-N421 WeakPolarHBondContact O-CA 3.41Å; P412-R422 PolarHBondContact O-N 3.38Å
413E97.1Very high96.7Very high107 Ų10755.7 Ų55.750%0.527%0.265SS..  trans-74.1-30.6176.3178.2163.7-139.800113.1A63 Y411 N421 R422A63-E413 WeakPolarHBondContact CB-O 3.41Å; Y411-E413 PolarHBondContact O-N 2.74Å; E413-N421 WeakPolarHBondContact O-CB 3.37Å; E413-R422 IonicContact OE1-NH2 2.66Å; E413-R422 PolarHBondContact OE1-NH2 3.31Å; E413-R422 IonicContact OE2-NH2 2.62Å
414A97.3Very high96.7Very high25 Ų2550.7 Ų50.721%0.20725%0.246CC..SBendtrans-150160.6-170.100000112.6A63 P64 A416 N421A63-A414 HydrophobicContact CB-CB 4.16Å; P64-A414 HydrophobicContact CG-CB 4.09Å; A414-A416 PolarHBondContact O-N 3.24Å; A414-N421 VanDerWaalsContact CA-OD1 3.28Å; A414-N421 WeakPolarHBondContact CA-OD1 3.42Å
415N97.2Very high96.7Very high94 Ų9449.1 Ų49.150%0.50324%0.238SC..SBendtrans64.95.5176.1-45.3-62.6000116.9P64 G66 N421P64-N415 WeakPolarHBondContact CG-OD1 3.18Å; P64-N415 PolarHBondContact O-N 2.96Å; G66-N415 VanDerWaalsContact CA-O 3.23Å; G66-N415 WeakPolarHBondContact CA-O 3.37Å; G66-N415 PolarHBondContact N-O 2.83Å; N415-N421 PolarHBondContact N-OD1 2.89Å
416A97.6Very high96.8Very high0 Ų039.2 Ų39.20%020%0.201CC..SBendtrans-71.3161.4167.200000110.6G66 P205 M332 P412 A414 H420 N421G66-A416 PolarHBondContact N-O 3.38Å; P205-A416 HydrophobicContact CG-CB 3.98Å; M332-A416 HydrophobicContact CB-CB 4.34Å; M332-A416 HydrophobicContact SD-CB 4.04Å; P412-A416 HydrophobicContact CB-CB 4.41Å; A414-A416 PolarHBondContact O-N 3.24Å; A416-H420 HydrophobicContact CB-CB 4Å; A416-N421 WeakPolarHBondContact CB-OD1 3.44Å; A416-N421 PolarHBondContact N-OD1 3.08Å
417P97.5Very high96.8Very high12 Ų1237.5 Ų37.58%0.07819%0.19CC..SBendtrans-48.3159.2172-31.838.8000114Q68 A204 M332 D333 R419 H420Q68-P417 HydrophobicContact CG-CG 4.43Å; A204-P417 HydrophobicContact CB-CB 3.95Å; A204-P417 HydrophobicContact CB-CG 3.67Å; M332-P417 WeakPolarHBondContact O-CD 3.18Å; D333-P417 HydrophobicContact CB-CG 4.17Å; P417-R419 PolarHBondContact O-N 2.9Å; P417-H420 WeakPolarHBondContact O-CB 3.43Å; P417-H420 PolarHBondContact O-N 2.92Å
418I96.8Very high96.9Very high13 Ų1331.5 Ų31.57%0.06716%0.159CC..THydrogen-bonded Turntrans-54.4122.8-167-175.1158.1000112.8L65 F69 E78 I198 F200 H420L65-I418 HydrophobicContact CD1-CB 4.41Å; L65-I418 HydrophobicContact CD1-CD1 4.04Å; L65-I418 HydrophobicContact CD1-CG1 3.93Å; F69-I418 HydrophobicContact CB-CB 4.44Å; F69-I418 HydrophobicContact CB-CG2 4.07Å; F69-I418 HydrophobicContact CD1-CD1 3.78Å; F69-I418 HydrophobicContact CE1-CD1 4.32Å; F69-I418 HydrophobicContact CG-CD1 4.47Å; F69-I418 HydrophobicContact CG-CG2 4.44Å; E78-I418 HydrophobicContact CB-CD1 4.07Å; E78-I418 HydrophobicContact CG-CD1 3.98Å; I198-I418 HydrophobicContact CD1-CG2 4.01Å; I198-I418 HydrophobicContact CG1-CG2 4.1Å; F200-I418 HydrophobicContact CE1-CG1 4.31Å; F200-I418 HydrophobicContact CE1-CG2 4.25Å; F200-I418 HydrophobicContact CZ-CG2 4.3Å; I418-H420 VanDerWaalsContact C-N 3.32Å; I418-H420 PolarHBondContact O-CD2 3.27Å; I418-H420 VanDerWaalsContact O-CD2 3.29Å; I418-H420 PolarHBondContact O-N 3.18Å
419R95.8Very high97.1Very high18 Ų1827.9 Ų27.97%0.06814%0.142CC..THydrogen-bonded Turntrans68.42-170.7-56.5-64.8114.7-1329.6117.8E78 F200 P417 S424 V427 N435E78-R419 PolarHBondContact O-NE 2.73Å; E78-R419 PolarHBondContact O-NH2 2.97Å; F200-R419 HydrophobicContact CD1-CB 3.82Å; F200-R419 HydrophobicContact CD1-CG 3.63Å; F200-R419 HydrophobicContact CE1-CB 4.28Å; F200-R419 HydrophobicContact CE1-CG 3.66Å; P417-R419 PolarHBondContact O-N 2.9Å; R419-S424 WeakPolarHBondContact CA-OG 3.17Å; R419-S424 PolarHBondContact NH1-OG 2.94Å; R419-S424 WeakPolarHBondContact O-CB 3.42Å; R419-S424 PolarHBondContact O-OG 2.7Å; R419-V427 HydrophobicContact CG-CG2 4.13Å; R419-N435 PolarHBondContact O-ND2 3.07Å
420H98.2Very high97.1Very high2 Ų221.9 Ų21.91%0.00911%0.114CC..THydrogen-bonded Turntrans-82.1-15175.6-66.3-108.6000113.7D199 H202 A204 P205 A206 Y411 A416 P417 I418 N435D199-H420 PolarHBondContact O-NE2 2.97Å; H202-H420 PolarHBondContact O-CE1 3.47Å; A204-H420 HydrophobicContact CB-CB 4.17Å; A204-H420 VanDerWaalsContact CB-ND1 3.28Å; A204-H420 WeakPolarHBondContact CB-ND1 3.28Å; A204-H420 PolarHBondContact O-ND1 3.47Å; A204-H420 VanDerWaalsContact O-ND1 3.16Å; P205-H420 HydrophobicContact CB-CB 4.19Å; P205-H420 HydrophobicContact CG-CB 4.38Å; A206-H420 HydrophobicContact CB-CB 4.3Å; A206-H420 VanDerWaalsContact CB-ND1 3.33Å; A206-H420 WeakPolarHBondContact CB-ND1 3.36Å; A206-H420 PolarHBondContact N-ND1 3.37Å; A206-H420 VanDerWaalsContact N-ND1 3.16Å; Y411-H420 WeakPolarHBondContact CE1-O 3.28Å; Y411-H420 PolarHBondContact OH-O 3.32Å; A416-H420 HydrophobicContact CB-CB 4Å; P417-H420 WeakPolarHBondContact O-CB 3.43Å; P417-H420 PolarHBondContact O-N 2.92Å; I418-H420 VanDerWaalsContact C-N 3.32Å; I418-H420 PolarHBondContact O-CD2 3.27Å; I418-H420 VanDerWaalsContact O-CD2 3.29Å; I418-H420 PolarHBondContact O-N 3.18Å; H420-N435 PolarHBondContact O-ND2 2.99Å
421N98Very high96.9Very high1 Ų119.5 Ų19.51%0.00510%0.1CC..SBendtrans-55.8147.4172.8-73.6-13.6000113.1P64 P412 E413 A414 N415 A416 E423 S424 N435P64-N421 PolarHBondContact O-ND2 2.73Å; P412-N421 CarbonylContact O-C 3.33Å; P412-N421 WeakPolarHBondContact O-CA 3.41Å; E413-N421 WeakPolarHBondContact O-CB 3.37Å; A414-N421 VanDerWaalsContact CA-OD1 3.28Å; A414-N421 WeakPolarHBondContact CA-OD1 3.42Å; N415-N421 PolarHBondContact N-OD1 2.89Å; A416-N421 WeakPolarHBondContact CB-OD1 3.44Å; A416-N421 PolarHBondContact N-OD1 3.08Å; N421-E423 VanDerWaalsContact C-N 3.3Å; N421-E423 PolarHBondContact O-N 2.92Å; N421-E423 VanDerWaalsContact O-N 3.15Å; N421-S424 WeakPolarHBondContact O-CB 3.23Å; N421-S424 PolarHBondContact O-N 2.91Å; N421-S424 PolarHBondContact O-OG 3.48Å; N421-S424 VanDerWaalsContact O-OG 3.12Å; N421-N435 PolarHBondContact O-ND2 3.4Å
422R97.9Very high96.7Very high27 Ų2721 Ų2110%0.10211%0.108CC..THydrogen-bonded Turntrans-46.7-47.9-175.7-164.4176.665.1-148.7-11.8113.9Y411 P412 E413 S424 N435 G436Y411-R422 HydrophobicContact CD1-CB 3.63Å; Y411-R422 HydrophobicContact CD1-CG 3.87Å; Y411-R422 HydrophobicContact CE1-CB 4.15Å; P412-R422 PolarHBondContact O-N 3.38Å; E413-R422 IonicContact OE1-NH2 2.66Å; E413-R422 PolarHBondContact OE1-NH2 3.31Å; E413-R422 IonicContact OE2-NH2 2.62Å; R422-S424 VanDerWaalsContact C-N 3.3Å; R422-S424 PolarHBondContact O-N 2.91Å; R422-N435 PolarHBondContact O-N 2.96Å; R422-G436 PolarHBondContact O-N 3.39Å
423E97.5Very high96.7Very high47 Ų4721.1 Ų21.122%0.2211%0.106CC..THydrogen-bonded Turntrans-88.69-174.2-59-48.3134.800114.1S61 N421 R434S61-E423 WeakPolarHBondContact CB-O 3.46Å; N421-E423 VanDerWaalsContact C-N 3.3Å; N421-E423 PolarHBondContact O-N 2.92Å; N421-E423 VanDerWaalsContact O-N 3.15Å; E423-R434 PolarHBondContact O-NH1 3.46Å; E423-R434 IonicContact OE2-CZ 3.78Å; E423-R434 IonicContact OE2-NE 2.64Å; E423-R434 IonicContact OE2-NH1 3.6Å; E423-R434 PolarHBondContact OE2-NH1 3.37Å
424S97.4Very high96.7Very high1 Ų118.3 Ų18.31%0.0079%0.091CC..SBendtrans-79.7141.5172.5-610000111.1R419 N421 R422 R434 N435R419-S424 WeakPolarHBondContact CA-OG 3.17Å; R419-S424 PolarHBondContact NH1-OG 2.94Å; R419-S424 WeakPolarHBondContact O-CB 3.42Å; R419-S424 PolarHBondContact O-OG 2.7Å; N421-S424 WeakPolarHBondContact O-CB 3.23Å; N421-S424 PolarHBondContact O-N 2.91Å; N421-S424 PolarHBondContact O-OG 3.48Å; N421-S424 VanDerWaalsContact O-OG 3.12Å; R422-S424 VanDerWaalsContact C-N 3.3Å; R422-S424 PolarHBondContact O-N 2.91Å; S424-R434 VanDerWaalsContact O-CA 3.28Å; S424-R434 WeakPolarHBondContact O-CA 3.2Å; S424-N435 PolarHBondContact O-N 3.21Å
425Y97.8Very high96.7Very high21 Ų2117.2 Ų17.28%0.0828%0.082CC..BIsolated β-bridgetrans-75.2134.6165.9-63-62.2000110.8I58 L60 L432 Y433 R434I58-Y425 HydrophobicContact CG2-CD2 4.24Å; I58-Y425 HydrophobicContact CG2-CE2 3.55Å; L60-Y425 HydrophobicContact CD2-CD2 3.95Å; L60-Y425 HydrophobicContact CD2-CE2 4.19Å; Y425-L432 HydrophobicContact CD1-CB 3.53Å; Y425-L432 HydrophobicContact CD1-CD1 4.35Å; Y425-L432 HydrophobicContact CD1-CG 4.47Å; Y425-L432 HydrophobicContact CD2-CD1 4.08Å; Y425-L432 HydrophobicContact CE1-CB 3.63Å; Y425-L432 HydrophobicContact CE1-CD1 4.23Å; Y425-L432 HydrophobicContact CE2-CD1 4.01Å; Y425-L432 HydrophobicContact CG-CB 4.05Å; Y425-L432 HydrophobicContact CG-CD1 4.24Å; Y425-Y433 VanDerWaalsContact CA-O 3.31Å; Y425-Y433 WeakPolarHBondContact CA-O 3.28Å; Y425-R434 HydrophobicContact CD1-CG 3.82Å; Y425-R434 HydrophobicContact CE1-CG 3.79Å; Y425-R434 VanDerWaalsContact CZ-NH2 3.3Å; Y425-R434 PolarHBondContact OH-NH2 3.42Å
426M98.1Very high96.7Very high2 Ų212.8 Ų12.81%0.016%0.059CC..PPolyproline II helixtrans-72.1128.7177.8-72.3179.9-84.700111.4W210 L213 F429 Y433 R434 N435 F438W210-M426 VanDerWaalsContact CA-SD 3.57Å; W210-M426 HydrophobicContact CB-SD 4.06Å; W210-M426 HydrophobicContact CG-SD 4.36Å; L213-M426 HydrophobicContact CB-CE 4.18Å; L213-M426 HydrophobicContact CB-SD 4.5Å; L213-M426 HydrophobicContact CD2-CE 3.38Å; L213-M426 HydrophobicContact CD2-SD 4.07Å; L213-M426 HydrophobicContact CG-CE 4.42Å; M426-F429 HydrophobicContact CB-CD2 3.61Å; M426-F429 HydrophobicContact CB-CE2 4Å; M426-F429 PolarHBondContact O-N 2.7Å; M426-F429 VanDerWaalsContact O-N 3.13Å; M426-Y433 PolarHBondContact N-O 3.36Å; M426-R434 WeakPolarHBondContact CE-O 3.13Å; M426-N435 WeakPolarHBondContact CG-OD1 3.08Å; M426-F438 HydrophobicContact CE-CD2 3.52Å; M426-F438 HydrophobicContact CE-CE2 4.08Å; M426-F438 HydrophobicContact CE-CG 4.2Å
427V97.6Very high96.7Very high0 Ų016.3 Ų16.30%08%0.077CC..THydrogen-bonded Turntrans-79145177.2-173.10000109.7R77 W80 Y182 V183 F200 W210 R419R77-V427 HydrophobicContact CB-CG1 4.07Å; R77-V427 HydrophobicContact CB-CG2 4.41Å; R77-V427 HydrophobicContact CG-CG1 3.84Å; W80-V427 HydrophobicContact CB-CG2 3.74Å; W80-V427 HydrophobicContact CD2-CG1 4.31Å; W80-V427 HydrophobicContact CE3-CG1 4.28Å; W80-V427 HydrophobicContact CG-CB 4.46Å; W80-V427 HydrophobicContact CG-CG2 3.99Å; Y182-V427 HydrophobicContact CD1-CG1 4.1Å; Y182-V427 HydrophobicContact CE1-CG1 4Å; V183-V427 HydrophobicContact CG1-CB 4.14Å; V183-V427 HydrophobicContact CG1-CG1 4.31Å; V183-V427 WeakPolarHBondContact CG1-O 3.1Å; F200-V427 HydrophobicContact CB-CB 4.05Å; F200-V427 HydrophobicContact CB-CG2 4.13Å; F200-V427 HydrophobicContact CD1-CB 4.24Å; F200-V427 HydrophobicContact CD1-CG2 3.45Å; F200-V427 VanDerWaalsContact CD1-CG2 3.45Å; F200-V427 HydrophobicContact CE1-CG2 4.08Å; F200-V427 HydrophobicContact CG-CB 4.28Å; F200-V427 HydrophobicContact CG-CG2 4Å; W210-V427 PolarHBondContact NE1-O 3.09Å; R419-V427 HydrophobicContact CG-CG2 4.13Å
428P96.8Very high96.7Very high0 Ų016.1 Ų16.10%08%0.075CC..THydrogen-bonded Turncis-97.739.2-18.138.1-30.1000110.9H19 W80 W178 M179 Y182 I430H19-P428 PolarHBondContact CD2-O 3.27Å; H19-P428 WeakPolarHBondContact NE2-CG 3.26Å; H19-P428 PolarHBondContact NE2-O 2.73Å; W80-P428 HydrophobicContact CH2-CB 3.7Å; W80-P428 VanDerWaalsContact CZ2-CA 3.4Å; W80-P428 HydrophobicContact CZ2-CB 3.76Å; W80-P428 WeakPolarHBondContact CZ2-O 3.47Å; W80-P428 HydrophobicContact CZ3-CB 4.23Å; W178-P428 HydrophobicContact CZ3-CG 4.14Å; M179-P428 HydrophobicContact CB-CG 4.2Å; M179-P428 HydrophobicContact CG-CG 4.01Å; Y182-P428 HydrophobicContact CD1-CB 3.65Å; Y182-P428 HydrophobicContact CD1-CG 3.89Å; Y182-P428 HydrophobicContact CE1-CB 3.88Å; P428-I430 PolarHBondContact O-N 3.48Å
429F96.6Very high96.8Very high5 Ų515.9 Ų15.92%0.0227%0.074CC..  trans-68.2132-173.3-63.3-84.5000111.6W80 M179 W210 L213 F214 R217 M426 P431 L432 Y433W80-F429 PolarHBondContact NE1-O 3.4Å; W80-F429 VanDerWaalsContact NE1-O 3.08Å; M179-F429 HydrophobicContact CE-CD1 3.43Å; M179-F429 VanDerWaalsContact CE-CD1 3.43Å; M179-F429 HydrophobicContact CE-CE1 3.3Å; M179-F429 HydrophobicContact CE-CG 4.19Å; M179-F429 HydrophobicContact CE-CZ 4Å; W210-F429 AromaticContact CD1-CE2 3.92Å; W210-F429 HydrophobicContact CD2-CE2 4.15Å; W210-F429 HydrophobicContact CD2-CZ 4.43Å; W210-F429 AromaticContact CE2-CE2 3.61Å; W210-F429 HydrophobicContact CG-CE2 4.29Å; W210-F429 HydrophobicContact CZ2-CE2 4.03Å; W210-F429 HydrophobicContact CZ2-CZ 4.14Å; W210-F429 AromaticContact NE1-CE2 3.47Å; L213-F429 HydrophobicContact CB-CZ 4.32Å; L213-F429 HydrophobicContact CD2-CB 4.4Å; L213-F429 HydrophobicContact CD2-CD1 3.89Å; L213-F429 HydrophobicContact CD2-CD2 3.59Å; L213-F429 HydrophobicContact CD2-CE1 3.96Å; L213-F429 HydrophobicContact CD2-CE2 3.64Å; L213-F429 HydrophobicContact CD2-CG 3.71Å; L213-F429 HydrophobicContact CD2-CZ 3.84Å; L213-F429 HydrophobicContact CG-CD1 4.08Å; L213-F429 HydrophobicContact CG-CD2 4.4Å; L213-F429 HydrophobicContact CG-CE1 3.75Å; L213-F429 HydrophobicContact CG-CE2 4.07Å; L213-F429 HydrophobicContact CG-CG 4.39Å; L213-F429 HydrophobicContact CG-CZ 3.75Å; F214-F429 HydrophobicContact CB-CZ 4.06Å; F214-F429 HydrophobicContact CD2-CZ 4.29Å; R217-F429 HydrophobicContact CB-CE1 4.42Å; R217-F429 HydrophobicContact CG-CD1 3.92Å; R217-F429 HydrophobicContact CG-CE1 3.8Å; M426-F429 HydrophobicContact CB-CD2 3.61Å; M426-F429 HydrophobicContact CB-CE2 4Å; M426-F429 PolarHBondContact O-N 2.7Å; M426-F429 VanDerWaalsContact O-N 3.13Å; F429-P431 CarbonylContact C-O 3.56Å; F429-L432 WeakPolarHBondContact O-CD2 3.36Å; F429-Y433 HydrophobicContact CB-CD2 3.84Å; F429-Y433 HydrophobicContact CB-CE2 4.38Å; F429-Y433 HydrophobicContact CG-CD2 4.38Å
430I92.8Very high96.9Very high7 Ų717.7 Ų17.74%0.0368%0.084CC..SBendtrans-131.8126.6163.2-70.8163000106.9F20 P21 W80 P81 Y85 F98 Y149 P428 L432F20-I430 HydrophobicContact CD1-CD1 3.37Å; F20-I430 HydrophobicContact CE1-CD1 3.77Å; F20-I430 HydrophobicContact CG-CD1 4.49Å; P21-I430 HydrophobicContact CG-CG2 3.65Å; W80-I430 HydrophobicContact CH2-CD1 4.26Å; W80-I430 HydrophobicContact CZ2-CD1 3.7Å; W80-I430 HydrophobicContact CZ2-CG1 3.89Å; P81-I430 HydrophobicContact CB-CD1 4.48Å; Y85-I430 HydrophobicContact CD2-CD1 4.32Å; Y85-I430 HydrophobicContact CE2-CD1 4.09Å; F98-I430 HydrophobicContact CB-CG2 4.41Å; Y149-I430 VanDerWaalsContact CE1-O 3.31Å; Y149-I430 WeakPolarHBondContact CE1-O 3.4Å; Y149-I430 PolarHBondContact OH-O 2.68Å; P428-I430 PolarHBondContact O-N 3.48Å; I430-L432 HydrophobicContact CG1-CD2 4.03Å
431P91.4Very high96.8Very high14 Ų1418.9 Ų18.99%0.0919%0.093CC..SBendcis-61.8166.92.332.8-39.8000112.7F429 Y433F429-P431 CarbonylContact C-O 3.56Å; P431-Y433 HydrophobicContact CG-CE2 3.9Å; P431-Y433 WeakPolarHBondContact O-CD2 3.46Å; P431-Y433 WeakPolarHBondContact O-CE2 3.43Å
432L94.4Very high96.8Very high32 Ų3218.8 Ų18.817%0.1689%0.093CC..  trans-81.4140.4-172.1-54.4-177.9000111.8I58 P81 Y425 F429 I430I58-L432 HydrophobicContact CB-CD1 4.48Å; I58-L432 HydrophobicContact CD1-CD1 3.91Å; I58-L432 HydrophobicContact CG1-CD1 3.87Å; I58-L432 HydrophobicContact CG2-CD1 3.77Å; P81-L432 HydrophobicContact CB-CD2 4.3Å; P81-L432 HydrophobicContact CG-CD1 3.95Å; P81-L432 HydrophobicContact CG-CD2 3.81Å; P81-L432 HydrophobicContact CG-CG 4.46Å; Y425-L432 HydrophobicContact CD1-CB 3.53Å; Y425-L432 HydrophobicContact CD1-CD1 4.35Å; Y425-L432 HydrophobicContact CD1-CG 4.47Å; Y425-L432 HydrophobicContact CD2-CD1 4.08Å; Y425-L432 HydrophobicContact CE1-CB 3.63Å; Y425-L432 HydrophobicContact CE1-CD1 4.23Å; Y425-L432 HydrophobicContact CE2-CD1 4.01Å; Y425-L432 HydrophobicContact CG-CB 4.05Å; Y425-L432 HydrophobicContact CG-CD1 4.24Å; F429-L432 WeakPolarHBondContact O-CD2 3.36Å; I430-L432 HydrophobicContact CG1-CD2 4.03Å
433Y96.2Very high96.8Very high16 Ų1620.7 Ų20.76%0.06310%0.101CC..  trans-137.3136.2-177.7-63.1-80.1000109.2M96 F105 L213 R217 Y425 M426 F429 P431 F438M96-Y433 HydrophobicContact SD-CE1 4.05Å; M96-Y433 PolarHBondContact SD-OH 2.72Å; F105-Y433 HydrophobicContact CE2-CE1 4.17Å; L213-Y433 HydrophobicContact CD1-CD1 4.23Å; L213-Y433 HydrophobicContact CD1-CD2 4.02Å; L213-Y433 HydrophobicContact CD1-CE1 4.23Å; L213-Y433 HydrophobicContact CD1-CE2 4.02Å; L213-Y433 HydrophobicContact CD1-CG 4.1Å; L213-Y433 HydrophobicContact CD2-CD1 4.44Å; L213-Y433 HydrophobicContact CD2-CD2 3.57Å; L213-Y433 HydrophobicContact CD2-CE2 4.33Å; L213-Y433 HydrophobicContact CD2-CG 3.61Å; L213-Y433 HydrophobicContact CG-CD2 4.43Å; R217-Y433 PolarHBondContact NH1-OH 2.84Å; Y425-Y433 VanDerWaalsContact CA-O 3.31Å; Y425-Y433 WeakPolarHBondContact CA-O 3.28Å; M426-Y433 PolarHBondContact N-O 3.36Å; F429-Y433 HydrophobicContact CB-CD2 3.84Å; F429-Y433 HydrophobicContact CB-CE2 4.38Å; F429-Y433 HydrophobicContact CG-CD2 4.38Å; P431-Y433 HydrophobicContact CG-CE2 3.9Å; P431-Y433 WeakPolarHBondContact O-CD2 3.46Å; P431-Y433 WeakPolarHBondContact O-CE2 3.43Å; Y433-F438 AromaticContact CD1-CE2 3.63Å; Y433-F438 HydrophobicContact CD1-CE2 3.63Å; Y433-F438 AromaticContact CD1-CZ 3.6Å; Y433-F438 HydrophobicContact CD1-CZ 3.6Å; Y433-F438 HydrophobicContact CE1-CZ 4.08Å; Y433-F438 HydrophobicContact CG-CE2 4.04Å; Y433-F438 HydrophobicContact CG-CZ 4.28Å
434R97.1Very high96.7Very high48 Ų4822.7 Ų22.718%0.18111%0.114CC..BIsolated β-bridgetrans-95.1148.8179.8-59.8171.8174.3-104.6-22.7111.3L59 E423 S424 Y425 M426 G436 D437L59-R434 PolarHBondContact O-NH2 3.2Å; E423-R434 PolarHBondContact O-NH1 3.46Å; E423-R434 IonicContact OE2-CZ 3.78Å; E423-R434 IonicContact OE2-NE 2.64Å; E423-R434 IonicContact OE2-NH1 3.6Å; E423-R434 PolarHBondContact OE2-NH1 3.37Å; S424-R434 VanDerWaalsContact O-CA 3.28Å; S424-R434 WeakPolarHBondContact O-CA 3.2Å; Y425-R434 HydrophobicContact CD1-CG 3.82Å; Y425-R434 HydrophobicContact CE1-CG 3.79Å; Y425-R434 VanDerWaalsContact CZ-NH2 3.3Å; Y425-R434 PolarHBondContact OH-NH2 3.42Å; M426-R434 WeakPolarHBondContact CE-O 3.13Å; R434-G436 PolarHBondContact O-N 2.89Å; R434-D437 VanDerWaalsContact CB-OD2 3.32Å; R434-D437 WeakPolarHBondContact CB-OD2 3.42Å; R434-D437 PolarHBondContact N-OD2 3.21Å; R434-D437 WeakPolarHBondContact O-CB 3.2Å; R434-D437 PolarHBondContact O-N 2.91Å
435N98.2Very high96.8Very high1 Ų123.3 Ų23.31%0.00512%0.117CC..G310 helixtrans-52.8-43.1176.2-66.2-45.4000112.1A206 Y411 R419 H420 N421 R422 S424 M426 D437 F438 F439A206-N435 VanDerWaalsContact CB-OD1 3.28Å; A206-N435 WeakPolarHBondContact CB-OD1 3.36Å; Y411-N435 HydrophobicContact CE1-CB 3.86Å; Y411-N435 HydrophobicContact CE2-CB 4.48Å; Y411-N435 WeakPolarHBondContact OH-CB 3.47Å; R419-N435 PolarHBondContact O-ND2 3.07Å; H420-N435 PolarHBondContact O-ND2 2.99Å; N421-N435 PolarHBondContact O-ND2 3.4Å; R422-N435 PolarHBondContact O-N 2.96Å; S424-N435 PolarHBondContact O-N 3.21Å; M426-N435 WeakPolarHBondContact CG-OD1 3.08Å; N435-D437 VanDerWaalsContact C-N 3.27Å; N435-D437 PolarHBondContact O-N 2.57Å; N435-F438 PolarHBondContact O-N 2.87Å; N435-F439 PolarHBondContact O-N 3.17Å
436G97.4Very high96.8Very high2 Ų222.5 Ų22.52%0.02112%0.115CC..G310 helixtrans-61.2-29.7177.900000114.6Q408 R422 R434 F438 F439Q408-G436 PolarHBondContact NE2-O 3.22Å; R422-G436 PolarHBondContact O-N 3.39Å; R434-G436 PolarHBondContact O-N 2.89Å; G436-F438 PolarHBondContact O-N 2.78Å; G436-F439 PolarHBondContact O-N 3.16Å
437D96.8Very high96.8Very high73 Ų7322.6 Ų22.639%0.3912%0.115SC..G310 helixtrans-66.4-19.8-179.2-59.7-33.3000112.4R434 N435 I440R434-D437 VanDerWaalsContact CB-OD2 3.32Å; R434-D437 WeakPolarHBondContact CB-OD2 3.42Å; R434-D437 PolarHBondContact N-OD2 3.21Å; R434-D437 WeakPolarHBondContact O-CB 3.2Å; R434-D437 PolarHBondContact O-N 2.91Å; N435-D437 VanDerWaalsContact C-N 3.27Å; N435-D437 PolarHBondContact O-N 2.57Å; D437-I440 WeakPolarHBondContact O-CD1 3.28Å
438F98.2Very high96.8Very high8 Ų822.7 Ų22.74%0.03512%0.116CC..G310 helixtrans-112.52.5-177.2-66.4-93.5000112.7F105 P209 R212 L213 L216 M426 Y433 N435 G436 I440 L445F105-F438 AromaticContact CD2-CE1 3.93Å; F105-F438 HydrophobicContact CD2-CE1 3.93Å; F105-F438 HydrophobicContact CD2-CZ 4.23Å; F105-F438 AromaticContact CE2-CE1 3.72Å; F105-F438 HydrophobicContact CE2-CE1 3.72Å; F105-F438 AromaticContact CE2-CZ 3.85Å; F105-F438 HydrophobicContact CE2-CZ 3.85Å; P209-F438 HydrophobicContact CB-CB 3.98Å; R212-F438 WeakPolarHBondContact CD-O 3.48Å; R212-F438 HydrophobicContact CG-CD1 4.39Å; L213-F438 HydrophobicContact CB-CD1 3.98Å; L213-F438 HydrophobicContact CB-CE1 4.09Å; L213-F438 HydrophobicContact CB-CG 4.23Å; L213-F438 HydrophobicContact CB-CZ 4.46Å; L213-F438 HydrophobicContact CD1-CE1 3.77Å; L213-F438 HydrophobicContact CD1-CE2 4.34Å; L213-F438 HydrophobicContact CD1-CZ 3.69Å; L213-F438 HydrophobicContact CD2-CE2 4.38Å; L213-F438 HydrophobicContact CG-CE1 4.43Å; L213-F438 HydrophobicContact CG-CZ 4.43Å; L216-F438 HydrophobicContact CD1-CD1 4.33Å; L216-F438 HydrophobicContact CD1-CE1 4.17Å; M426-F438 HydrophobicContact CE-CD2 3.52Å; M426-F438 HydrophobicContact CE-CE2 4.08Å; M426-F438 HydrophobicContact CE-CG 4.2Å; Y433-F438 AromaticContact CD1-CE2 3.63Å; Y433-F438 HydrophobicContact CD1-CE2 3.63Å; Y433-F438 AromaticContact CD1-CZ 3.6Å; Y433-F438 HydrophobicContact CD1-CZ 3.6Å; Y433-F438 HydrophobicContact CE1-CZ 4.08Å; Y433-F438 HydrophobicContact CG-CE2 4.04Å; Y433-F438 HydrophobicContact CG-CZ 4.28Å; N435-F438 PolarHBondContact O-N 2.87Å; G436-F438 PolarHBondContact O-N 2.78Å; F438-I440 PolarHBondContact O-N 3.23Å; F438-I440 VanDerWaalsContact O-N 3.13Å; F438-L445 HydrophobicContact CD1-CD1 4.04Å; F438-L445 HydrophobicContact CD1-CD2 3.99Å; F438-L445 HydrophobicContact CE1-CD2 3.8Å
439F98.4Very high96.9Very high8 Ų822.7 Ų22.74%0.03512%0.116CC..SBendtrans-85.550.4169-165.9-106.3000111.2Y327 F397 W400 L401 P406 V410 Y411 N435 G436Y327-F439 HydrophobicContact CD1-CE2 4.14Å; Y327-F439 AromaticContact CD2-CE2 3.46Å; Y327-F439 HydrophobicContact CD2-CE2 3.46Å; Y327-F439 VanDerWaalsContact CD2-CE2 3.46Å; Y327-F439 HydrophobicContact CD2-CZ 4.05Å; Y327-F439 HydrophobicContact CE1-CE2 4.29Å; Y327-F439 HydrophobicContact CE2-CD2 4.26Å; Y327-F439 AromaticContact CE2-CE2 3.6Å; Y327-F439 HydrophobicContact CE2-CE2 3.6Å; Y327-F439 AromaticContact CG-CE2 3.74Å; Y327-F439 HydrophobicContact CG-CE2 3.74Å; Y327-F439 HydrophobicContact CG-CZ 4.02Å; F397-F439 HydrophobicContact CE2-CD2 4.02Å; F397-F439 AromaticContact CE2-CE2 3.95Å; F397-F439 HydrophobicContact CE2-CE2 3.95Å; F397-F439 AromaticContact CZ-CD2 3.75Å; F397-F439 HydrophobicContact CZ-CD2 3.75Å; F397-F439 HydrophobicContact CZ-CE2 4.17Å; W400-F439 HydrophobicContact CH2-CZ 4.12Å; W400-F439 AromaticContact CZ3-CE2 3.96Å; W400-F439 HydrophobicContact CZ3-CE2 3.96Å; W400-F439 AromaticContact CZ3-CZ 3.73Å; W400-F439 HydrophobicContact CZ3-CZ 3.73Å; L401-F439 HydrophobicContact CD2-CE2 4.32Å; L401-F439 HydrophobicContact CD2-CZ 4.4Å; P406-F439 HydrophobicContact CB-CE1 4.17Å; P406-F439 HydrophobicContact CB-CZ 4.3Å; P406-F439 HydrophobicContact CG-CE1 3.9Å; P406-F439 HydrophobicContact CG-CZ 3.92Å; V410-F439 HydrophobicContact CB-CE1 4.46Å; Y411-F439 HydrophobicContact CD2-CB 4.22Å; Y411-F439 AromaticContact CD2-CD2 3.67Å; Y411-F439 HydrophobicContact CD2-CD2 3.67Å; Y411-F439 HydrophobicContact CD2-CE2 4.16Å; Y411-F439 AromaticContact CD2-CG 3.9Å; Y411-F439 HydrophobicContact CD2-CG 3.9Å; Y411-F439 HydrophobicContact CG-CD2 4.47Å; Y411-F439 HydrophobicContact CG-CG 4.32Å; N435-F439 PolarHBondContact O-N 3.17Å; G436-F439 PolarHBondContact O-N 3.16Å
440I97.3Very high96.9Very high56 Ų5624.1 Ų24.129%0.28713%0.126SC..SBendtrans-138.5166.5-17763.4175.3000109.7R212 L401 D437 F438 D444 L445R212-I440 PolarHBondContact NH1-O 3.29Å; L401-I440 WeakPolarHBondContact CD1-O 3.47Å; D437-I440 WeakPolarHBondContact O-CD1 3.28Å; F438-I440 PolarHBondContact O-N 3.23Å; F438-I440 VanDerWaalsContact O-N 3.13Å; I440-D444 HydrophobicContact CD1-CB 4.03Å; I440-L445 HydrophobicContact CD1-CD2 4.03Å; I440-L445 HydrophobicContact CD1-CG 4Å; I440-L445 HydrophobicContact CG1-CD1 4.15Å; I440-L445 HydrophobicContact CG1-CD2 4.45Å; I440-L445 HydrophobicContact CG1-CG 4.05Å
441S97.6Very high97.1Very high27 Ų2727 Ų2719%0.18914%0.138CC..  trans-63.2145.4-179.51760000112.2E398 K443 D444 L445E398-S441 PolarHBondContact OE1-OG 2.87Å; E398-S441 WeakPolarHBondContact OE2-CA 3.37Å; S441-K443 PolarHBondContact O-N 3.08Å; S441-K443 PolarHBondContact OG-N 3.24Å; S441-D444 WeakPolarHBondContact O-CB 3.28Å; S441-D444 PolarHBondContact O-N 2.96Å; S441-L445 PolarHBondContact O-N 3.29Å
442S98.1Very high97.2Very high0 Ų027.7 Ų27.70%014%0.14CC..THydrogen-bonded Turntrans-52.6-34.6169.874.60000111.9E398 R402 D444 L445 G446 Y447E398-S442 VanDerWaalsContact CD-N 3.32Å; E398-S442 VanDerWaalsContact CD-OG 3.3Å; E398-S442 PolarHBondContact OE1-N 2.81Å; E398-S442 PolarHBondContact OE1-OG 2.73Å; E398-S442 PolarHBondContact OE2-N 3.44Å; R402-S442 PolarHBondContact NH2-OG 3.32Å; S442-D444 VanDerWaalsContact C-N 3.26Å; S442-D444 PolarHBondContact O-N 3.34Å; S442-L445 CarbonylContact O-C 3.52Å; S442-L445 VanDerWaalsContact O-C 3.29Å; S442-L445 WeakPolarHBondContact O-CA 3.38Å; S442-L445 WeakPolarHBondContact O-CB 3.44Å; S442-L445 PolarHBondContact O-N 3.04Å; S442-L445 VanDerWaalsContact O-N 3.12Å; S442-G446 PolarHBondContact O-N 2.6Å; S442-Y447 CarbonylContact C-O 3.59Å; S442-Y447 WeakPolarHBondContact CB-O 3.37Å; S442-Y447 WeakPolarHBondContact O-CD1 3.23Å; S442-Y447 PolarHBondContact O-N 2.73Å; S442-Y447 PolarHBondContact OG-O 3.09Å
443K96.8Very high97Very high66 Ų6630.2 Ų30.229%0.28715%0.151SC..THydrogen-bonded Turntrans-64.7-27.7178.4-69.2-178.5175.1178.40112.6R115 L117 S441 G446 Y447 D448 D454R115-K443 PolarHBondContact NH2-O 2.74Å; L117-K443 HydrophobicContact CD1-CB 4.44Å; L117-K443 HydrophobicContact CD1-CG 4.32Å; S441-K443 PolarHBondContact O-N 3.08Å; S441-K443 PolarHBondContact OG-N 3.24Å; K443-G446 PolarHBondContact O-N 3.42Å; K443-Y447 PolarHBondContact N-O 3.17Å; K443-D448 WeakPolarHBondContact CE-OD2 3.17Å; K443-D448 IonicContact NZ-OD2 3.61Å; K443-D454 IonicContact NZ-OD2 3.61Å; K443-D454 PolarHBondContact NZ-OD2 3.06Å
444D96.6Very high95.9Very high90 Ų9035.1 Ų35.148%0.48118%0.179SC..THydrogen-bonded Turntrans-76-37.8173.9-63.9-49.7000111.2R115 I440 S441 S442 G446R115-D444 PolarHBondContact NH2-O 3.32Å; I440-D444 HydrophobicContact CD1-CB 4.03Å; S441-D444 WeakPolarHBondContact O-CB 3.28Å; S441-D444 PolarHBondContact O-N 2.96Å; S442-D444 VanDerWaalsContact C-N 3.26Å; S442-D444 PolarHBondContact O-N 3.34Å; D444-G446 PolarHBondContact O-N 3.42Å
445L98Very high93.8Very high13 Ų1338.1 Ų38.17%0.06821%0.207CC..THydrogen-bonded Turntrans-75-1.3170.7-63.5166.1000113.5F105 G106 R212 L216 F438 I440 S441 S442 Y447F105-L445 CarbonylContact C-O 3.44Å; F105-L445 HydrophobicContact CB-CB 4.44Å; F105-L445 HydrophobicContact CB-CD2 4.46Å; F105-L445 WeakPolarHBondContact CB-O 3.5Å; F105-L445 HydrophobicContact CD2-CD2 4.3Å; G106-L445 PolarHBondContact N-O 2.77Å; G106-L445 VanDerWaalsContact N-O 3.15Å; R212-L445 HydrophobicContact CG-CD1 4.1Å; L216-L445 HydrophobicContact CD1-CB 4.33Å; L216-L445 HydrophobicContact CD1-CD1 4.04Å; L216-L445 HydrophobicContact CD1-CD2 4.46Å; F438-L445 HydrophobicContact CD1-CD1 4.04Å; F438-L445 HydrophobicContact CD1-CD2 3.99Å; F438-L445 HydrophobicContact CE1-CD2 3.8Å; I440-L445 HydrophobicContact CD1-CD2 4.03Å; I440-L445 HydrophobicContact CD1-CG 4Å; I440-L445 HydrophobicContact CG1-CD1 4.15Å; I440-L445 HydrophobicContact CG1-CD2 4.45Å; I440-L445 HydrophobicContact CG1-CG 4.05Å; S441-L445 PolarHBondContact O-N 3.29Å; S442-L445 CarbonylContact O-C 3.52Å; S442-L445 VanDerWaalsContact O-C 3.29Å; S442-L445 WeakPolarHBondContact O-CA 3.38Å; S442-L445 WeakPolarHBondContact O-CB 3.44Å; S442-L445 PolarHBondContact O-N 3.04Å; S442-L445 VanDerWaalsContact O-N 3.12Å; L445-Y447 HydrophobicContact CB-CD1 3.96Å; L445-Y447 HydrophobicContact CB-CE1 3.76Å; L445-Y447 HydrophobicContact CD1-CE1 4.15Å
446G97.6Very high91.2Very high5 Ų542.9 Ų42.95%0.05223%0.232CC..THydrogen-bonded Turntrans79.826.4174.200000116.5L117 L118 S442 K443 D444L117-G446 WeakPolarHBondContact CA-O 3.49Å; L118-G446 PolarHBondContact N-O 3.31Å; S442-G446 PolarHBondContact O-N 2.6Å; K443-G446 PolarHBondContact O-N 3.42Å; D444-G446 PolarHBondContact O-N 3.42Å
447Y98.6Very high88.8Confident3 Ų347.3 Ų47.31%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-137.7158.6169.372.4-71.6000113.1L118 R120 R212 L216 D394 S442 K443 L445 Y449L118-Y447 CarbonylContact O-C 3.28Å; L118-Y447 VanDerWaalsContact O-CA 3.22Å; L118-Y447 WeakPolarHBondContact O-CA 3.45Å; R120-Y447 HydrophobicContact CG-CD2 4.44Å; R212-Y447 WeakPolarHBondContact CG-OH 3.42Å; R212-Y447 PolarHBondContact NE-OH 3.46Å; L216-Y447 HydrophobicContact CD1-CE1 3.98Å; L216-Y447 HydrophobicContact CD2-CD1 3.81Å; L216-Y447 HydrophobicContact CD2-CE1 3.83Å; L216-Y447 HydrophobicContact CG-CE1 4.23Å; D394-Y447 PolarHBondContact OD1-OH 3.36Å; D394-Y447 WeakPolarHBondContact OD2-CE2 3.48Å; D394-Y447 PolarHBondContact OD2-OH 3.36Å; S442-Y447 CarbonylContact C-O 3.59Å; S442-Y447 WeakPolarHBondContact CB-O 3.37Å; S442-Y447 WeakPolarHBondContact O-CD1 3.23Å; S442-Y447 PolarHBondContact O-N 2.73Å; S442-Y447 PolarHBondContact OG-O 3.09Å; K443-Y447 PolarHBondContact N-O 3.17Å; L445-Y447 HydrophobicContact CB-CD1 3.96Å; L445-Y447 HydrophobicContact CB-CE1 3.76Å; L445-Y447 HydrophobicContact CD1-CE1 4.15Å; Y447-Y449 HydrophobicContact CD2-CE2 4.15Å; Y447-Y449 AromaticContact CE2-CE2 3.7Å; Y447-Y449 HydrophobicContact CE2-CE2 3.7Å
448D98.2Very high86.5Confident2 Ų248.8 Ų48.81%0.01127%0.269CS..EExtended strand (participates in β ladder)trans-140.2174.5173.8-152.7-10.2000110.4L117 L118 V119 R120 R402 K443 Q453L117-D448 HydrophobicContact CD1-CB 4.35Å; L117-D448 HydrophobicContact CD2-CB 4.29Å; L117-D448 HydrophobicContact CG-CB 4.41Å; L118-D448 PolarHBondContact O-N 3.13Å; V119-D448 CarbonylContact C-O 3.41Å; V119-D448 WeakPolarHBondContact CA-O 3.07Å; R120-D448 PolarHBondContact N-O 3.14Å; R402-D448 IonicContact CZ-OD1 3.49Å; R402-D448 IonicContact NH1-OD1 3.02Å; R402-D448 PolarHBondContact NH1-OD1 2.86Å; R402-D448 IonicContact NH1-OD2 3.68Å; R402-D448 PolarHBondContact NH1-OD2 2.9Å; R402-D448 IonicContact NH2-OD1 2.92Å; R402-D448 PolarHBondContact NH2-OD1 3.12Å; R402-D448 IonicContact NH2-OD2 2.97Å; K443-D448 WeakPolarHBondContact CE-OD2 3.17Å; K443-D448 IonicContact NZ-OD2 3.61Å; D448-Q453 HydrophobicContact CB-CG 4.37Å
449Y98.5Very high84.3Confident0 Ų052.1 Ų52.10%029%0.293CS..EExtended strand (participates in β ladder)trans-113.9131.3176.2-71.2-86.7000109.7R120 Y235 A391 D394 Y447 Y451 L452 Q453R120-Y449 HydrophobicContact CB-CD1 3.81Å; R120-Y449 HydrophobicContact CB-CE1 3.75Å; R120-Y449 HydrophobicContact CG-CE1 4.34Å; R120-Y449 PolarHBondContact NH1-OH 3.35Å; R120-Y449 WeakPolarHBondContact O-CA 3.43Å; Y235-Y449 AromaticContact CD1-CD1 3.58Å; Y235-Y449 HydrophobicContact CD1-CD1 3.58Å; Y235-Y449 HydrophobicContact CD1-CE1 4.01Å; Y235-Y449 AromaticContact CE1-CD1 3.88Å; Y235-Y449 HydrophobicContact CE1-CD1 3.88Å; Y235-Y449 HydrophobicContact CG-CD1 4.39Å; A391-Y449 WeakPolarHBondContact O-CE1 3.39Å; A391-Y449 PolarHBondContact O-OH 3.17Å; D394-Y449 WeakPolarHBondContact CB-OH 3.45Å; D394-Y449 PolarHBondContact OD2-OH 3.1Å; Y447-Y449 HydrophobicContact CD2-CE2 4.15Å; Y447-Y449 AromaticContact CE2-CE2 3.7Å; Y447-Y449 HydrophobicContact CE2-CE2 3.7Å; Y449-Y451 HydrophobicContact CG-CE1 4.45Å; Y449-Y451 PolarHBondContact O-N 3.2Å; Y449-Y451 VanDerWaalsContact O-N 3.11Å; Y449-L452 HydrophobicContact CD2-CD1 4.19Å; Y449-L452 HydrophobicContact CG-CD1 4.32Å; Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.33Å; Y449-L452 PolarHBondContact O-N 3.34Å; Y449-Q453 WeakPolarHBondContact O-CG 3.42Å; Y449-Q453 PolarHBondContact O-N 2.75Å; Y449-Q453 VanDerWaalsContact O-N 3.13Å
450S97.2Very high82.1Confident35 Ų3558.2 Ų58.225%0.24532%0.32CS..G310 helixtrans-52.2-39.1-173.852.50000113.8R120 Y235 L452R120-S450 PolarHBondContact O-N 3.42Å; Y235-S450 PolarHBondContact OH-OG 2.81Å; S450-L452 VanDerWaalsContact C-N 3.33Å; S450-L452 PolarHBondContact O-N 2.89Å
451Y95.8Very high80Confident69 Ų6962 Ų6227%0.27134%0.336SS..G310 helixtrans-79.8-7.3178.283.8-76.3000115.3Y235 F392 S395 Q399 Y449Y235-Y451 HydrophobicContact CE1-CD1 4.07Å; Y235-Y451 HydrophobicContact CE1-CE1 4.37Å; Y235-Y451 HydrophobicContact CE2-CD1 4.09Å; Y235-Y451 HydrophobicContact CE2-CE1 4.19Å; Y235-Y451 AromaticContact CZ-CD1 3.52Å; Y235-Y451 AromaticContact CZ-CE1 3.96Å; Y235-Y451 WeakPolarHBondContact OH-CD1 3.1Å; F392-Y451 HydrophobicContact CE2-CE1 4.42Å; S395-Y451 WeakPolarHBondContact CB-OH 3.46Å; S395-Y451 PolarHBondContact OG-OH 3Å; Q399-Y451 PolarHBondContact NE2-OH 3.19Å; Y449-Y451 HydrophobicContact CG-CE1 4.45Å; Y449-Y451 PolarHBondContact O-N 3.2Å; Y449-Y451 VanDerWaalsContact O-N 3.11Å
452L95.1Very high77.9Confident27 Ų2765.3 Ų65.314%0.14135%0.352CS..G310 helixtrans-109.4-4.4177.6-57.8-176000113.2E398 Q399 R402 Y449 S450 D454E398-L452 HydrophobicContact CB-CD1 4.28Å; E398-L452 HydrophobicContact CG-CD1 4.24Å; Q399-L452 HydrophobicContact CG-CD1 3.77Å; Q399-L452 HydrophobicContact CG-CD2 3.38Å; Q399-L452 HydrophobicContact CG-CG 4.24Å; R402-L452 PolarHBondContact NH1-O 2.71Å; Y449-L452 HydrophobicContact CD2-CD1 4.19Å; Y449-L452 HydrophobicContact CG-CD1 4.32Å; Y449-L452 CarbonylContact O-C 3.53Å; Y449-L452 WeakPolarHBondContact O-CA 3.33Å; Y449-L452 PolarHBondContact O-N 3.34Å; S450-L452 VanDerWaalsContact C-N 3.33Å; S450-L452 PolarHBondContact O-N 2.89Å; L452-D454 PolarHBondContact O-N 3.04Å
453Q89.2Confident76Confident85 Ų8572 Ų7240%0.39738%0.378SS..SBendtrans-64.4130.4172.5-59.3-166.3-83.400108.7D448 Y449 S455D448-Q453 HydrophobicContact CB-CG 4.37Å; Y449-Q453 WeakPolarHBondContact O-CG 3.42Å; Y449-Q453 PolarHBondContact O-N 2.75Å; Y449-Q453 VanDerWaalsContact O-N 3.13Å; Q453-S455 PolarHBondContact O-N 3.29Å
454D73.3Confident74.4Confident120 Ų12071.8 Ų71.864%0.64238%0.379SS*.  trans-56.7134.4173.7-50.1-93.7000108.8K443 L452 D456K443-D454 IonicContact NZ-OD2 3.61Å; K443-D454 PolarHBondContact NZ-OD2 3.06Å; L452-D454 PolarHBondContact O-N 3.04Å; D454-D456 PolarHBondContact O-N 3.49Å
455S52.9Low73Confident111 Ų11172.4 Ų72.478%0.77638%0.378SS*.  trans-66.1102.3-177.329.40000110.6Q453Q453-S455 PolarHBondContact O-N 3.29Å
456D44.1Very low71.3Confident100 Ų10074.9 Ų74.954%0.53540%0.396SS..  trans-51.3123.9178.2-162.6-12.1000109.9D454 D458 S459 F460D454-D456 PolarHBondContact O-N 3.49Å; D456-D458 PolarHBondContact O-N 3.1Å; D456-S459 WeakPolarHBondContact O-CA 3.45Å; D456-S459 VanDerWaalsContact O-CB 3.25Å; D456-S459 WeakPolarHBondContact O-CB 3.49Å; D456-S459 PolarHBondContact O-N 3.13Å; D456-F460 PolarHBondContact O-N 3.29Å
457P47Very low69.9Low95 Ų9580.9 Ų80.962%0.61742%0.418SS*.Hα-helixtrans-54-30.8-176.8-30.337.1000113.9F460 Q461P457-F460 PolarHBondContact O-N 2.85Å; P457-Q461 PolarHBondContact O-N 2.94Å
458D48.5Very low68.6Low105 Ų10586 Ų8656%0.56145%0.445SS*.Hα-helixtrans-72.9-31.3177.2-70.7-13.8000112.4D456 F460 Q461 D462D456-D458 PolarHBondContact O-N 3.1Å; D458-F460 VanDerWaalsContact C-N 3.35Å; D458-F460 PolarHBondContact O-N 2.94Å; D458-Q461 PolarHBondContact O-N 3.21Å; D458-Q461 VanDerWaalsContact O-N 3.16Å; D458-D462 PolarHBondContact O-N 3Å
459S50.6Low67.4Low78 Ų7890.5 Ų90.555%0.54547%0.466SS..Hα-helixtrans-62.7-41173.2179.60000111.6D456 Q461 D462 Y463D456-S459 WeakPolarHBondContact O-CA 3.45Å; D456-S459 VanDerWaalsContact O-CB 3.25Å; D456-S459 WeakPolarHBondContact O-CB 3.49Å; D456-S459 PolarHBondContact O-N 3.13Å; S459-Q461 VanDerWaalsContact C-N 3.33Å; S459-Q461 PolarHBondContact O-N 2.84Å; S459-D462 PolarHBondContact O-N 3.22Å; S459-Y463 VanDerWaalsContact O-CB 3.31Å; S459-Y463 WeakPolarHBondContact O-CB 3.38Å; S459-Y463 PolarHBondContact O-N 2.58Å
460F53.7Low66Low136 Ų13696.3 Ų96.360%0.59649%0.493SS*.Hα-helixtrans-67.2-34.6174.3-169.3-113000112.1D456 P457 D458 I464D456-F460 PolarHBondContact O-N 3.29Å; P457-F460 PolarHBondContact O-N 2.85Å; D458-F460 VanDerWaalsContact C-N 3.35Å; D458-F460 PolarHBondContact O-N 2.94Å; F460-I464 HydrophobicContact CD1-CD1 4.04Å; F460-I464 HydrophobicContact CD2-CD1 4.5Å; F460-I464 HydrophobicContact CE1-CD1 3.42Å; F460-I464 VanDerWaalsContact CE1-CD1 3.42Å; F460-I464 HydrophobicContact CE1-CG1 4.4Å; F460-I464 HydrophobicContact CE2-CD1 3.94Å; F460-I464 HydrophobicContact CE2-CG1 4.36Å; F460-I464 HydrophobicContact CZ-CD1 3.37Å; F460-I464 HydrophobicContact CZ-CG1 4.26Å; F460-I464 WeakPolarHBondContact O-CB 3.22Å; F460-I464 PolarHBondContact O-N 2.73Å
461Q51.7Low64.8Low134 Ų13497.1 Ų97.163%0.62650%0.502SS*.Hα-helixtrans-65.6-50.7173-70.3-152.829.200112.5P457 D458 S459 Y463 I464 K465P457-Q461 PolarHBondContact O-N 2.94Å; D458-Q461 PolarHBondContact O-N 3.21Å; D458-Q461 VanDerWaalsContact O-N 3.16Å; S459-Q461 VanDerWaalsContact C-N 3.33Å; S459-Q461 PolarHBondContact O-N 2.84Å; Q461-Y463 VanDerWaalsContact C-N 3.34Å; Q461-Y463 PolarHBondContact O-N 3.23Å; Q461-I464 PolarHBondContact O-N 3.23Å; Q461-K465 WeakPolarHBondContact O-CB 3.5Å; Q461-K465 PolarHBondContact O-N 2.85Å
462D54.7Low63.6Low98 Ų9897.4 Ų97.452%0.52451%0.514SS..Hα-helixtrans-67.4-33.9-179.1-93.6-26.3000112.3D458 S459 K465 S466D458-D462 PolarHBondContact O-N 3Å; S459-D462 PolarHBondContact O-N 3.22Å; D462-K465 VanDerWaalsContact OD1-CD 3.23Å; D462-K465 WeakPolarHBondContact OD1-CD 3.44Å; D462-K465 IonicContact OD1-NZ 3.08Å; D462-K465 PolarHBondContact OD1-NZ 2.91Å; D462-S466 PolarHBondContact O-N 3.16Å
463Y57.3Low62.6Low141 Ų141104.7 Ų104.755%0.55354%0.54SS*.Hα-helixtrans-59.2-55.8169.3-180-97.1000111.3S459 Q461 K465 S466 Y467S459-Y463 VanDerWaalsContact O-CB 3.31Å; S459-Y463 WeakPolarHBondContact O-CB 3.38Å; S459-Y463 PolarHBondContact O-N 2.58Å; Q461-Y463 VanDerWaalsContact C-N 3.34Å; Q461-Y463 PolarHBondContact O-N 3.23Å; Y463-K465 VanDerWaalsContact C-N 3.32Å; Y463-K465 PolarHBondContact O-N 2.87Å; Y463-S466 PolarHBondContact O-N 3.35Å; Y463-S466 PolarHBondContact O-OG 2.87Å; Y463-Y467 HydrophobicContact CE1-CD2 4.17Å; Y463-Y467 AromaticContact CE1-CE2 3.93Å; Y463-Y467 HydrophobicContact CE1-CE2 3.93Å; Y463-Y467 HydrophobicContact CE2-CE2 4.01Å; Y463-Y467 AromaticContact CZ-CE2 3.59Å
464I63Low62.1Low60 Ų60104.6 Ų104.631%0.30854%0.541SS..Hα-helixtrans-64.8-33.9-179.4-79.1-168.4000112.5F460 Q461 S466 Y467 L468F460-I464 HydrophobicContact CD1-CD1 4.04Å; F460-I464 HydrophobicContact CD2-CD1 4.5Å; F460-I464 HydrophobicContact CE1-CD1 3.42Å; F460-I464 VanDerWaalsContact CE1-CD1 3.42Å; F460-I464 HydrophobicContact CE1-CG1 4.4Å; F460-I464 HydrophobicContact CE2-CD1 3.94Å; F460-I464 HydrophobicContact CE2-CG1 4.36Å; F460-I464 HydrophobicContact CZ-CD1 3.37Å; F460-I464 HydrophobicContact CZ-CG1 4.26Å; F460-I464 WeakPolarHBondContact O-CB 3.22Å; F460-I464 PolarHBondContact O-N 2.73Å; Q461-I464 PolarHBondContact O-N 3.23Å; I464-S466 VanDerWaalsContact C-N 3.3Å; I464-S466 PolarHBondContact O-N 3.27Å; I464-Y467 CarbonylContact O-C 3.51Å; I464-Y467 WeakPolarHBondContact O-CA 3.44Å; I464-Y467 WeakPolarHBondContact O-CB 3.35Å; I464-Y467 PolarHBondContact O-N 3.29Å; I464-L468 HydrophobicContact CG2-CD1 3.54Å; I464-L468 HydrophobicContact CG2-CG 3.68Å; I464-L468 WeakPolarHBondContact O-CG 3.31Å; I464-L468 PolarHBondContact O-N 3.4Å
465K67.8Low62.3Low104 Ų104106.6 Ų106.645%0.45254%0.54SS..Hα-helixtrans-58.7-39.7178.8175179.6164.7-1660112.1Q461 D462 Y463 Y467 L468 E469Q461-K465 WeakPolarHBondContact O-CB 3.5Å; Q461-K465 PolarHBondContact O-N 2.85Å; D462-K465 VanDerWaalsContact OD1-CD 3.23Å; D462-K465 WeakPolarHBondContact OD1-CD 3.44Å; D462-K465 IonicContact OD1-NZ 3.08Å; D462-K465 PolarHBondContact OD1-NZ 2.91Å; Y463-K465 VanDerWaalsContact C-N 3.32Å; Y463-K465 PolarHBondContact O-N 2.87Å; K465-Y467 VanDerWaalsContact C-N 3.35Å; K465-Y467 PolarHBondContact O-N 3.28Å; K465-L468 PolarHBondContact O-N 2.93Å; K465-E469 WeakPolarHBondContact O-CB 3.49Å; K465-E469 WeakPolarHBondContact O-CG 3.07Å; K465-E469 PolarHBondContact O-N 3.41Å
466S63.6Low63.4Low65 Ų65105 Ų10546%0.45553%0.529SS..Hα-helixtrans-59.3-45.1172.973.60000112D462 Y463 I464 Q470D462-S466 PolarHBondContact O-N 3.16Å; Y463-S466 PolarHBondContact O-N 3.35Å; Y463-S466 PolarHBondContact O-OG 2.87Å; I464-S466 VanDerWaalsContact C-N 3.3Å; I464-S466 PolarHBondContact O-N 3.27Å; S466-Q470 WeakPolarHBondContact O-CB 3.47Å; S466-Q470 PolarHBondContact O-N 2.88Å
467Y67.7Low65.2Low130 Ų130109.9 Ų109.951%0.5154%0.54SS..Hα-helixtrans-68.8-36.6176.1-79.9-86.8000113.1Y463 I464 K465 Q470 A471Y463-Y467 HydrophobicContact CE1-CD2 4.17Å; Y463-Y467 AromaticContact CE1-CE2 3.93Å; Y463-Y467 HydrophobicContact CE1-CE2 3.93Å; Y463-Y467 HydrophobicContact CE2-CE2 4.01Å; Y463-Y467 AromaticContact CZ-CE2 3.59Å; I464-Y467 CarbonylContact O-C 3.51Å; I464-Y467 WeakPolarHBondContact O-CA 3.44Å; I464-Y467 WeakPolarHBondContact O-CB 3.35Å; I464-Y467 PolarHBondContact O-N 3.29Å; K465-Y467 VanDerWaalsContact C-N 3.35Å; K465-Y467 PolarHBondContact O-N 3.28Å; Y467-Q470 PolarHBondContact O-N 2.94Å; Y467-A471 WeakPolarHBondContact O-CB 3.36Å; Y467-A471 PolarHBondContact O-N 3.47Å
468L70.6Confident66.8Low112 Ų112110.1 Ų110.159%0.58654%0.535SS*.Hα-helixtrans-71.2-40.5176.9-72.8179000112I464 K465 Q470 A471 S472I464-L468 HydrophobicContact CG2-CD1 3.54Å; I464-L468 HydrophobicContact CG2-CG 3.68Å; I464-L468 WeakPolarHBondContact O-CG 3.31Å; I464-L468 PolarHBondContact O-N 3.4Å; K465-L468 PolarHBondContact O-N 2.93Å; L468-Q470 VanDerWaalsContact C-N 3.35Å; L468-A471 PolarHBondContact O-N 3.34Å; L468-S472 VanDerWaalsContact O-CB 3.3Å; L468-S472 WeakPolarHBondContact O-CB 3.23Å; L468-S472 PolarHBondContact O-N 2.89Å; L468-S472 PolarHBondContact O-OG 2.93Å
469E72.8Confident68.4Low96 Ų96109.4 Ų109.445%0.44953%0.531SS..Hα-helixtrans-61.2-45.2171.4-77.7-169.8-148.700110.8K465 S472 R473K465-E469 WeakPolarHBondContact O-CB 3.49Å; K465-E469 WeakPolarHBondContact O-CG 3.07Å; K465-E469 PolarHBondContact O-N 3.41Å; E469-S472 PolarHBondContact O-N 3.43Å; E469-S472 PolarHBondContact O-OG 2.63Å; E469-R473 WeakPolarHBondContact O-CG 3.41Å; E469-R473 PolarHBondContact O-N 3.32Å
470Q70.1Confident69.9Low121 Ų121107.3 Ų107.357%0.56552%0.522SS*.Hα-helixtrans-65.9-42177.6-162171.422.700112.2S466 Y467 L468 R473 I474S466-Q470 WeakPolarHBondContact O-CB 3.47Å; S466-Q470 PolarHBondContact O-N 2.88Å; Y467-Q470 PolarHBondContact O-N 2.94Å; L468-Q470 VanDerWaalsContact C-N 3.35Å; Q470-R473 PolarHBondContact O-N 2.59Å; Q470-I474 HydrophobicContact CG-CD1 4.33Å; Q470-I474 WeakPolarHBondContact O-CD1 3.12Å; Q470-I474 WeakPolarHBondContact O-CG1 3.39Å; Q470-I474 PolarHBondContact O-N 2.97Å
471A71.3Confident71.2Confident52 Ų52104 Ų10443%0.4352%0.519SS..Hα-helixtrans-64.1-43.517600000112Y467 L468 R473 I474 W475Y467-A471 WeakPolarHBondContact O-CB 3.36Å; Y467-A471 PolarHBondContact O-N 3.47Å; L468-A471 PolarHBondContact O-N 3.34Å; A471-R473 VanDerWaalsContact C-N 3.3Å; A471-R473 PolarHBondContact O-N 3.14Å; A471-I474 CarbonylContact O-C 3.56Å; A471-I474 PolarHBondContact O-N 2.91Å; A471-W475 WeakPolarHBondContact O-CB 3.22Å; A471-W475 PolarHBondContact O-N 2.76Å
472S71.6Confident72.7Confident76 Ų76100.6 Ų100.653%0.53151%0.514SS..Hα-helixtrans-61.9-36179.169.40000112.8L468 E469 I474L468-S472 VanDerWaalsContact O-CB 3.3Å; L468-S472 WeakPolarHBondContact O-CB 3.23Å; L468-S472 PolarHBondContact O-N 2.89Å; L468-S472 PolarHBondContact O-OG 2.93Å; E469-S472 PolarHBondContact O-N 3.43Å; E469-S472 PolarHBondContact O-OG 2.63Å; S472-I474 VanDerWaalsContact C-N 3.27Å; S472-I474 PolarHBondContact O-N 3.34Å
473R74Confident74.2Confident180 Ų180102.1 Ų102.168%0.67952%0.52SS*.Hα-helixtrans-66.3-25.6173.6-69.8176.4-170.3-156.47.5113.5E469 Q470 A471E469-R473 WeakPolarHBondContact O-CG 3.41Å; E469-R473 PolarHBondContact O-N 3.32Å; Q470-R473 PolarHBondContact O-N 2.59Å; A471-R473 VanDerWaalsContact C-N 3.3Å; A471-R473 PolarHBondContact O-N 3.14Å
474I78.7Confident75.6Confident83 Ų8399.6 Ų99.643%0.42652%0.519SS..Hα-helixtrans-96.2-26.3-178.3-62.6167.2000111.4Q470 A471 S472 S476 W477 L478Q470-I474 HydrophobicContact CG-CD1 4.33Å; Q470-I474 WeakPolarHBondContact O-CD1 3.12Å; Q470-I474 WeakPolarHBondContact O-CG1 3.39Å; Q470-I474 PolarHBondContact O-N 2.97Å; A471-I474 CarbonylContact O-C 3.56Å; A471-I474 PolarHBondContact O-N 2.91Å; S472-I474 VanDerWaalsContact C-N 3.27Å; S472-I474 PolarHBondContact O-N 3.34Å; I474-S476 VanDerWaalsContact C-N 3.34Å; I474-S476 PolarHBondContact O-N 3.35Å; I474-W477 WeakPolarHBondContact O-CB 3.32Å; I474-W477 PolarHBondContact O-N 3.5Å; I474-L478 HydrophobicContact CG2-CD1 3.93Å; I474-L478 HydrophobicContact CG2-CG 4Å; I474-L478 PolarHBondContact O-N 3.22Å
475W75.6Confident76.6Confident162 Ų16298.3 Ų98.361%0.61452%0.52SS*.Hα-helixtrans-56.1-41.7-175.8-169.4-114.2000113.9A471 W477 L478 L479A471-W475 WeakPolarHBondContact O-CB 3.22Å; A471-W475 PolarHBondContact O-N 2.76Å; W475-W477 VanDerWaalsContact C-N 3.34Å; W475-W477 PolarHBondContact O-N 2.58Å; W475-L478 HydrophobicContact CE3-CD1 4.43Å; W475-L478 PolarHBondContact O-N 3.06Å; W475-L479 WeakPolarHBondContact O-CG 3.18Å; W475-L479 PolarHBondContact O-N 2.68Å
476S77.5Confident77.3Confident77 Ų7796.1 Ų96.154%0.53852%0.522SS..Hα-helixtrans-64.9-34.4176.2490000113I474 G480I474-S476 VanDerWaalsContact C-N 3.34Å; I474-S476 PolarHBondContact O-N 3.35Å; S476-G480 PolarHBondContact O-N 3.41Å
477W82Confident78.5Confident202 Ų20296.9 Ų96.977%0.76552%0.524SS*.Hα-helixtrans-71.8-39.2173.9-67.198.4000112.2I474 W475 G480 A481I474-W477 WeakPolarHBondContact O-CB 3.32Å; I474-W477 PolarHBondContact O-N 3.5Å; W475-W477 VanDerWaalsContact C-N 3.34Å; W475-W477 PolarHBondContact O-N 2.58Å; W477-G480 PolarHBondContact O-N 2.88Å; W477-A481 WeakPolarHBondContact O-CB 3.48Å; W477-A481 PolarHBondContact O-N 3.38Å
478L79.6Confident79.4Confident100 Ų10095.4 Ų95.452%0.52452%0.524SS..Hα-helixtrans-64.3-44.4175.3-70.1170.3000111.7I474 W475 A481 A482I474-L478 HydrophobicContact CG2-CD1 3.93Å; I474-L478 HydrophobicContact CG2-CG 4Å; I474-L478 PolarHBondContact O-N 3.22Å; W475-L478 HydrophobicContact CE3-CD1 4.43Å; W475-L478 PolarHBondContact O-N 3.06Å; L478-A481 PolarHBondContact O-N 2.92Å; L478-A482 WeakPolarHBondContact O-CB 3.5Å; L478-A482 PolarHBondContact O-N 3.31Å
479L82.9Confident80Confident91 Ų9194.6 Ų94.648%0.47652%0.524SS..Hα-helixtrans-62.2-42.7173.1-72.2173.7000111.8W475 A482 M483W475-L479 WeakPolarHBondContact O-CG 3.18Å; W475-L479 PolarHBondContact O-N 2.68Å; L479-A482 PolarHBondContact O-N 2.91Å; L479-M483 WeakPolarHBondContact O-CB 3.35Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.43Å; L479-M483 PolarHBondContact O-N 2.84Å
480G80.7Confident80.6Confident34 Ų3493.1 Ų93.135%0.35153%0.528SS..Hα-helixtrans-59.7-47.4174.800000112.6S476 W477 M483 V484S476-G480 PolarHBondContact O-N 3.41Å; W477-G480 PolarHBondContact O-N 2.88Å; G480-M483 PolarHBondContact O-N 2.86Å; G480-V484 WeakPolarHBondContact O-CG2 3.38Å; G480-V484 PolarHBondContact O-N 2.88Å
481A82.3Confident81.3Confident65 Ų6592.3 Ų92.354%0.53753%0.527SS..Hα-helixtrans-63-41.8177.300000112.3W477 L478 V484 G485W477-A481 WeakPolarHBondContact O-CB 3.48Å; W477-A481 PolarHBondContact O-N 3.38Å; L478-A481 PolarHBondContact O-N 2.92Å; A481-V484 PolarHBondContact O-N 2.97Å; A481-G485 PolarHBondContact O-N 2.96Å
482A83.1Confident81.8Confident64 Ų6495 Ų9553%0.52953%0.534SS..Hα-helixtrans-63-43.917600000112.1L478 L479 G485 A486L478-A482 WeakPolarHBondContact O-CB 3.5Å; L478-A482 PolarHBondContact O-N 3.31Å; L479-A482 PolarHBondContact O-N 2.91Å; A482-G485 PolarHBondContact O-N 2.91Å; A482-A486 WeakPolarHBondContact O-CB 3.45Å; A482-A486 PolarHBondContact O-N 2.6Å
483M86.2Confident82.2Confident130 Ų13094 Ų9464%0.6453%0.529SS*.Hα-helixtrans-64.2-44.3176.4-73.2-65.5-66.700112.2L479 G480 A486 V487L479-M483 WeakPolarHBondContact O-CB 3.35Å; L479-M483 VanDerWaalsContact O-CG 3.31Å; L479-M483 WeakPolarHBondContact O-CG 3.43Å; L479-M483 PolarHBondContact O-N 2.84Å; G480-M483 PolarHBondContact O-N 2.86Å; M483-A486 PolarHBondContact O-N 3.47Å; M483-V487 WeakPolarHBondContact O-CG2 3.41Å; M483-V487 PolarHBondContact O-N 3.29Å
484V86.2Confident82.4Confident87 Ų8786.9 Ų86.953%0.52751%0.513SS..Hα-helixtrans-63.7-43175.61710000110.9G480 A481 A486 V487 L488G480-V484 WeakPolarHBondContact O-CG2 3.38Å; G480-V484 PolarHBondContact O-N 2.88Å; A481-V484 PolarHBondContact O-N 2.97Å; V484-A486 PolarHBondContact O-N 2.89Å; V484-V487 PolarHBondContact O-N 2.98Å; V484-L488 HydrophobicContact CG1-CD1 3.84Å; V484-L488 HydrophobicContact CG1-CG 4.33Å; V484-L488 WeakPolarHBondContact O-CB 3.28Å; V484-L488 VanDerWaalsContact O-CG 3.32Å; V484-L488 WeakPolarHBondContact O-CG 3.39Å; V484-L488 PolarHBondContact O-N 2.81Å
485G84Confident82.4Confident33 Ų3387.9 Ų87.934%0.3452%0.518SS..Hα-helixtrans-60.4-43.4175.200000113A481 A482 L488 T489A481-G485 PolarHBondContact O-N 2.96Å; A482-G485 PolarHBondContact O-N 2.91Å; G485-L488 PolarHBondContact O-N 3.07Å; G485-T489 WeakPolarHBondContact O-CB 3.38Å; G485-T489 PolarHBondContact O-N 2.63Å; G485-T489 PolarHBondContact O-OG1 3.28Å
486A83.8Confident82.5Confident59 Ų5984.2 Ų84.249%0.48851%0.513SS..Hα-helixtrans-62.9-44.6175.500000112.1A482 M483 V484 T489 A490A482-A486 WeakPolarHBondContact O-CB 3.45Å; A482-A486 PolarHBondContact O-N 2.6Å; M483-A486 PolarHBondContact O-N 3.47Å; V484-A486 PolarHBondContact O-N 2.89Å; A486-T489 PolarHBondContact O-N 3.28Å; A486-A490 WeakPolarHBondContact O-CB 3.43Å; A486-A490 PolarHBondContact O-N 2.82Å
487V87.8Confident82.3Confident81 Ų8183.9 Ų83.949%0.49151%0.511SS..Hα-helixtrans-63.9-45.1177170.40000111.5M483 V484 T489 A490 L491M483-V487 WeakPolarHBondContact O-CG2 3.41Å; M483-V487 PolarHBondContact O-N 3.29Å; V484-V487 PolarHBondContact O-N 2.98Å; V487-T489 VanDerWaalsContact C-N 3.34Å; V487-T489 PolarHBondContact O-N 2.88Å; V487-A490 PolarHBondContact O-N 3.26Å; V487-L491 HydrophobicContact CG1-CD1 3.89Å; V487-L491 HydrophobicContact CG1-CG 4.4Å; V487-L491 WeakPolarHBondContact O-CB 3.38Å; V487-L491 VanDerWaalsContact O-CG 3.3Å; V487-L491 WeakPolarHBondContact O-CG 3.27Å; V487-L491 PolarHBondContact O-N 3.25Å
488L86.2Confident81.9Confident98 Ų9879.9 Ų79.951%0.51350%0.504SS..Hα-helixtrans-61.5-41.9176-73.1171000111.8V484 G485 L491 L492V484-L488 HydrophobicContact CG1-CD1 3.84Å; V484-L488 HydrophobicContact CG1-CG 4.33Å; V484-L488 WeakPolarHBondContact O-CB 3.28Å; V484-L488 VanDerWaalsContact O-CG 3.32Å; V484-L488 WeakPolarHBondContact O-CG 3.39Å; V484-L488 PolarHBondContact O-N 2.81Å; G485-L488 PolarHBondContact O-N 3.07Å; L488-L491 PolarHBondContact O-N 2.95Å; L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.86Å
489T84.5Confident81.6Confident95 Ų9580.9 Ų80.958%0.58351%0.509SS*.Hα-helixtrans-64.3-42.6177-53.20000111.3G485 A486 V487 L492 A493G485-T489 WeakPolarHBondContact O-CB 3.38Å; G485-T489 PolarHBondContact O-N 2.63Å; G485-T489 PolarHBondContact O-OG1 3.28Å; A486-T489 PolarHBondContact O-N 3.28Å; V487-T489 VanDerWaalsContact C-N 3.34Å; V487-T489 PolarHBondContact O-N 2.88Å; T489-L492 PolarHBondContact O-N 3.31Å; T489-A493 WeakPolarHBondContact O-CB 3.44Å; T489-A493 PolarHBondContact O-N 3.25Å
490A83.8Confident81Confident65 Ų6580.3 Ų80.354%0.53751%0.512SS..Hα-helixtrans-65-40.8175.900000112.6A486 V487 A493 G494A486-A490 WeakPolarHBondContact O-CB 3.43Å; A486-A490 PolarHBondContact O-N 2.82Å; V487-A490 PolarHBondContact O-N 3.26Å; A490-A493 PolarHBondContact O-N 2.87Å; A490-G494 PolarHBondContact O-N 2.88Å
491L84.5Confident80.2Confident104 Ų10488 Ų8855%0.54553%0.531SS..Hα-helixtrans-65.4-42.1175.3-72.7170.2000112V487 L488 G494 L495V487-L491 HydrophobicContact CG1-CD1 3.89Å; V487-L491 HydrophobicContact CG1-CG 4.4Å; V487-L491 WeakPolarHBondContact O-CB 3.38Å; V487-L491 VanDerWaalsContact O-CG 3.3Å; V487-L491 WeakPolarHBondContact O-CG 3.27Å; V487-L491 PolarHBondContact O-N 3.25Å; L488-L491 PolarHBondContact O-N 2.95Å; L491-G494 PolarHBondContact O-N 3.36Å; L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 WeakPolarHBondContact O-CG 3.42Å; L491-L495 PolarHBondContact O-N 3.45Å
492L83.1Confident79.4Confident110 Ų11090.5 Ų90.558%0.57653%0.531SS*.Hα-helixtrans-63.2-46.1174.2-77.5166.4000111.7L488 T489 G494 L495 V496L488-L492 WeakPolarHBondContact O-CB 3.32Å; L488-L492 WeakPolarHBondContact O-CG 3.46Å; L488-L492 PolarHBondContact O-N 2.86Å; T489-L492 PolarHBondContact O-N 3.31Å; L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 2.88Å; L492-L495 PolarHBondContact O-N 3.19Å; L492-V496 WeakPolarHBondContact O-CG2 3.31Å; L492-V496 PolarHBondContact O-N 3.45Å
493A79.4Confident78.2Confident53 Ų5395 Ų9544%0.43854%0.539SS..Hα-helixtrans-61.8-37.5175.300000112.2T489 A490 S497T489-A493 WeakPolarHBondContact O-CB 3.44Å; T489-A493 PolarHBondContact O-N 3.25Å; A490-A493 PolarHBondContact O-N 2.87Å; A493-S497 VanDerWaalsContact O-CB 3.27Å; A493-S497 WeakPolarHBondContact O-CB 3.2Å; A493-S497 PolarHBondContact O-N 2.73Å; A493-S497 PolarHBondContact O-OG 2.79Å
494G78.9Confident76.8Confident32 Ų3299 Ų9933%0.3355%0.547SS..Hα-helixtrans-64.4-46.3173.100000113A490 L491 L492 S497 L498A490-G494 PolarHBondContact O-N 2.88Å; L491-G494 PolarHBondContact O-N 3.36Å; L492-G494 VanDerWaalsContact C-N 3.3Å; L492-G494 PolarHBondContact O-N 2.88Å; G494-S497 PolarHBondContact O-N 3.37Å; G494-L498 WeakPolarHBondContact O-CB 3.46Å; G494-L498 WeakPolarHBondContact O-CG 3.45Å; G494-L498 PolarHBondContact O-N 3.36Å
495L78.9Confident75.3Confident103 Ų103104 Ų10454%0.53956%0.562SS.*Hα-helixtrans-62.1-46.2175.8-82.2163.9000112.1L491 L492 S497 L498 L499L491-L495 WeakPolarHBondContact O-CB 3.47Å; L491-L495 WeakPolarHBondContact O-CG 3.42Å; L491-L495 PolarHBondContact O-N 3.45Å; L492-L495 PolarHBondContact O-N 3.19Å; L495-S497 VanDerWaalsContact C-N 3.32Å; L495-S497 PolarHBondContact O-N 3.37Å; L495-L498 PolarHBondContact O-N 3.26Å; L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.31Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 2.63Å
496V78.1Confident74Confident85 Ų85109 Ų10952%0.51558%0.576SS.*Hα-helixtrans-60.6-42.8174.5171.10000110.7L492 L498 L499 C500L492-V496 WeakPolarHBondContact O-CG2 3.31Å; L492-V496 PolarHBondContact O-N 3.45Å; V496-L498 PolarHBondContact O-N 2.82Å; V496-L499 PolarHBondContact O-N 2.87Å; V496-C500 WeakPolarHBondContact O-CB 3.31Å; V496-C500 PolarHBondContact O-N 3.04Å; V496-C500 PolarHBondContact O-SG 2.97Å; V496-C500 VanDerWaalsContact O-SG 3.37Å
497S72.5Confident72.5Confident71 Ų71112.5 Ų112.550%0.49759%0.586SS.*Hα-helixtrans-64.3-37.4176.8-62.20000112.9A493 G494 L495 R501A493-S497 VanDerWaalsContact O-CB 3.27Å; A493-S497 WeakPolarHBondContact O-CB 3.2Å; A493-S497 PolarHBondContact O-N 2.73Å; A493-S497 PolarHBondContact O-OG 2.79Å; G494-S497 PolarHBondContact O-N 3.37Å; L495-S497 VanDerWaalsContact C-N 3.32Å; L495-S497 PolarHBondContact O-N 3.37Å; S497-R501 WeakPolarHBondContact O-CB 3.48Å; S497-R501 WeakPolarHBondContact O-CG 3.48Å; S497-R501 PolarHBondContact O-N 3.11Å
498L74.3Confident70.5Confident117 Ų117114.7 Ų114.761%0.61360%0.602SS**Hα-helixtrans-68-44.9174.4-84.3161.8000112G494 L495 V496 R501 H502G494-L498 WeakPolarHBondContact O-CB 3.46Å; G494-L498 WeakPolarHBondContact O-CG 3.45Å; G494-L498 PolarHBondContact O-N 3.36Å; L495-L498 PolarHBondContact O-N 3.26Å; V496-L498 PolarHBondContact O-N 2.82Å; L498-R501 PolarHBondContact O-N 3.42Å; L498-H502 WeakPolarHBondContact O-CB 3.5Å; L498-H502 PolarHBondContact O-N 2.81Å
499L73.3Confident68.7Low121 Ų121119.2 Ų119.263%0.63462%0.62SS**Hα-helixtrans-62.3-43.9175.7-72.1166.5000111.5L495 V496 H502 K503L495-L499 WeakPolarHBondContact O-CB 3.33Å; L495-L499 VanDerWaalsContact O-CG 3.31Å; L495-L499 WeakPolarHBondContact O-CG 3.37Å; L495-L499 PolarHBondContact O-N 2.63Å; V496-L499 PolarHBondContact O-N 2.87Å; L499-H502 PolarHBondContact O-N 3.26Å; L499-K503 WeakPolarHBondContact O-CB 3.47Å; L499-K503 PolarHBondContact O-N 3.23Å
500C69Low66.7Low80 Ų80122 Ų12254%0.54163%0.627SS.*Hα-helixtrans-62.8-40.9173.6-74.60000112.3V496 R504V496-C500 WeakPolarHBondContact O-CB 3.31Å; V496-C500 PolarHBondContact O-N 3.04Å; V496-C500 PolarHBondContact O-SG 2.97Å; V496-C500 VanDerWaalsContact O-SG 3.37Å; C500-R504 VanDerWaalsContact O-CB 3.29Å; C500-R504 WeakPolarHBondContact O-CB 3.29Å; C500-R504 PolarHBondContact O-N 3.48Å
501R65.1Low64.7Low195 Ų195127.4 Ų127.474%0.73664%0.638SS**Hα-helixtrans-65.3-37.4173.2-83.9-178.4164.7-170.8-3.7112.8S497 L498 R504 K505S497-R501 WeakPolarHBondContact O-CB 3.48Å; S497-R501 WeakPolarHBondContact O-CG 3.48Å; S497-R501 PolarHBondContact O-N 3.11Å; L498-R501 PolarHBondContact O-N 3.42Å; R501-R504 PolarHBondContact O-N 3.41Å; R501-K505 PolarHBondContact O-N 3.13Å; R501-K505 VanDerWaalsContact O-N 3.13Å
502H64Low62.7Low118 Ų118131.4 Ų131.455%0.54665%0.654SS.*Hα-helixtrans-66.1-47.1176-166.1-73.5000111L498 L499 R504 K505 Q506L498-H502 WeakPolarHBondContact O-CB 3.5Å; L498-H502 PolarHBondContact O-N 2.81Å; L499-H502 PolarHBondContact O-N 3.26Å; H502-R504 VanDerWaalsContact C-N 3.3Å; H502-R504 PolarHBondContact O-N 3.06Å; H502-K505 WeakPolarHBondContact O-CB 3.35Å; H502-K505 PolarHBondContact O-N 3.39Å; H502-Q506 PolarHBondContact O-N 2.95Å
503K59.7Low61.4Low159 Ų159131.6 Ų131.669%0.69166%0.662SS**Hα-helixtrans-62-37.4176.8-156.7174.4-172.3-1800111.9L499 K505 Q506L499-K503 WeakPolarHBondContact O-CB 3.47Å; L499-K503 PolarHBondContact O-N 3.23Å; K503-K505 VanDerWaalsContact C-N 3.28Å; K503-K505 PolarHBondContact O-N 3.48Å; K503-Q506 PolarHBondContact O-N 2.9Å
504R56Low59.5Low214 Ų214135.1 Ų135.181%0.80867%0.673SS**Hα-helixtrans-72.1-15.5175-160.3172.2-173.5172.82.3114C500 R501 H502C500-R504 VanDerWaalsContact O-CB 3.29Å; C500-R504 WeakPolarHBondContact O-CB 3.29Å; C500-R504 PolarHBondContact O-N 3.48Å; R501-R504 PolarHBondContact O-N 3.41Å; H502-R504 VanDerWaalsContact C-N 3.3Å; H502-R504 PolarHBondContact O-N 3.06Å
505K55.5Low57.4Low192 Ų192141.4 Ų141.484%0.83570%0.698SS**THydrogen-bonded Turntrans-87.7-4.6170.6-83-168.6172-168.40114.2R501 H502 K503R501-K505 PolarHBondContact O-N 3.13Å; R501-K505 VanDerWaalsContact O-N 3.13Å; H502-K505 WeakPolarHBondContact O-CB 3.35Å; H502-K505 PolarHBondContact O-N 3.39Å; K503-K505 VanDerWaalsContact C-N 3.28Å; K503-K505 PolarHBondContact O-N 3.48Å
506Q55.3Low55.3Low137 Ų137143 Ų14364%0.6470%0.704SS**SBendtrans-105.88.4-180-71.1-176.7-47.800113.7H502 K503H502-Q506 PolarHBondContact O-N 2.95Å; K503-Q506 PolarHBondContact O-N 2.9Å
507L52.4Low53.5Low133 Ų133146 Ų14670%0.69671%0.712SS**  trans-101.5122.2177.4-76.2163000110.3
508P45.2Very low51.8Low127 Ų127149.7 Ų149.783%0.82572%0.72SS**  trans-67.5161.1169.6-18.632.6000112.5
509E49.6Very low50Low192 Ų192151 Ų15190%0.89772%0.723SS**  trans-110.9101.5-174.9178.4175.2-129.300110.9
510E42Very low48.2Very low155 Ų155152 Ų15272%0.72473%0.729SS**  trans-153.2121.1162.2-133.4179173.100117
511K42.3Very low46.6Very low178 Ų178159.2 Ų159.277%0.77475%0.746SS**  trans38.2128.8142.4-62.2168.4-162.71510123.5
512Q42.1Very low45.2Very low187 Ų187158 Ų15887%0.87475%0.748SS**  trans-68.3-179.5148.1-74.1-179.5-43.200112
513P56.4Low43.8Very low114 Ų114156.9 Ų156.974%0.7475%0.754SS**  cis-132.7-147.615.234.8-8.2000112.3
514L38Very low42.7Very low128 Ų128156.4 Ų156.467%0.6776%0.758SS**  cis-162.8140.65.2-149.9171.9000110.2M516L514-M516 HydrophobicContact CD2-CB 4.49Å; L514-M516 HydrophobicContact CD2-CG 3.91Å; L514-M516 HydrophobicContact CD2-SD 4.34Å
515L36.5Very low41.8Very low164 Ų164155.3 Ų155.386%0.85976%0.755SS**  trans176.2115.5151.1-96.1162.8000106
516M35Very low40.9Very low137 Ų137153.2 Ų153.268%0.67575%0.749SS**  55.5130.158.9-74.3-169.179.400114.2L514L514-M516 HydrophobicContact CD2-CB 4.49Å; L514-M516 HydrophobicContact CD2-CG 3.91Å; L514-M516 HydrophobicContact CD2-SD 4.34Å
517E39.8Very low40.2Very low146 Ų146151 Ų15168%0.68275%0.748SS**  cis-166173.8-9.7-157.2-175.3-170.700109.8
518K36Very low39.7Very low150 Ų150153.1 Ų153.165%0.65275%0.754SS**  trans76.8143162.8-81.4177.7173.3-80.80118.5
519E36.2Very low39.5Very low145 Ų145158.4 Ų158.468%0.67877%0.774SS**  cis-154.2171.4-10.4-151.3148-152.200110.8
520D37.1Very low39Very low142 Ų142156.8 Ų156.876%0.75977%0.768SS**  trans-66.6158.2-171.8-60.4-87.4000116.7
521Y33.9Very low38.8Very low230 Ų230156.8 Ų156.890%0.90277%0.77SS**  trans-153.2161.9132.9-126.7-88.3000112.8
522H35.9Very low38.6Very low169 Ų169155.7 Ų155.778%0.78277%0.77SS**  trans-77.3134.7-163.7-76.4-15.8000117.7
523S35.4Very low38.4Very low96 Ų96153.8 Ų153.867%0.67176%0.764SS**  31.3144.4109.4-154.70000121.9
524L35.8Very low37.3Very low148 Ų148156.3 Ų156.378%0.77577%0.765SS**  trans67.3111.8156.8-77.6159000119.1
525Y37.7Very low37.3Very low192 Ų192158.2 Ų158.275%0.75377%0.772SS**  -166.7158.9100.8-121-111.7000114.3
526Q36.9Very low37.3Very low148 Ų148157.8 Ų157.869%0.69277%0.766SS**  trans-13.6145.8161.7-71179.8-24.100119.6
527S39.7Very low37.5Very low89 Ų89159.4 Ų159.462%0.62277%0.773SS**  cis95.9131.335850000115.2
528H41.6Very low37.3Very low178 Ų178160.5 Ų160.582%0.82478%0.78SS**  trans60.7112.5172.1-68.6-75.1000118.3
529L41.4Very low37.4Very low239 Ų239161.5 Ų161.5100%1.25179%0.792SS**  -148.6090.4-118.8160.3000110.7

Retrieved 529 of 529 residues in 2120 ms (Link to these results)

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