A0A2K5CV31_AOTNA Loading...

Chimaerin

GTPase-activating protein for p21-rac.

AlphaFold DB , UniProt , Accession A0A2K5CV31, Species AOTNA (Aotus nancymaae, Ma's night monkey), Gene CHN1, Length 459 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
1M31.8Very low33.8Very low253 Ų253153.5 Ų153.5100%1.24681%0.807SS**  086.50-89.5177.5167.300108.2
2A27.4Very low36Very low90 Ų90156.6 Ų156.674%0.74480%0.8SS**  trans-166.1137.3167.900000107.6
3L27.3Very low38.5Very low157 Ų157151.5 Ų151.582%0.82278%0.784SS**  trans7772.9164.9-54.8168.7000117.7
4T28.7Very low41.5Very low137 Ų137143.3 Ų143.384%0.8475%0.745SS**  trans-13473.1148.751.20000109.2
5L29.7Very low44.6Very low169 Ų169137.3 Ų137.389%0.88572%0.717SS**  trans-143.261163.7-78.8174.3000108
6F30.2Very low47.5Very low184 Ų184129.6 Ų129.681%0.80768%0.675SS**  trans-9692.4150.4-72.9-77.5000104.9T8F6-T8 PolarHBondContact O-N 3.43Å; F6-T8 VanDerWaalsContact O-N 3.09Å
7D31.4Very low50.2Low160 Ų160125.9 Ų125.986%0.85665%0.653SS**  trans-63.7110.7158-142.3-5000104.7D9D7-D9 PolarHBondContact O-N 3.36Å
8T33.6Very low52.5Low113 Ų113120.1 Ų120.169%0.69362%0.624SS**  trans-74.285.9-175.929.20000106.6F6 E10F6-T8 PolarHBondContact O-N 3.43Å; F6-T8 VanDerWaalsContact O-N 3.09Å; T8-E10 PolarHBondContact O-N 3.11Å
9D39.8Very low54.7Low150 Ų150116.5 Ų116.580%0.80260%0.603SS**  trans-6977.9158.1-1435.7000105.6D7 Y11D7-D9 PolarHBondContact O-N 3.36Å; D9-Y11 PolarHBondContact O-N 3.05Å
10E44.1Very low56.8Low143 Ų143110.7 Ų110.767%0.66857%0.572SS**  trans-47.4127.9173.3-83.3-177.5149.800107.3T8 R12T8-E10 PolarHBondContact O-N 3.11Å; E10-R12 VanDerWaalsContact C-N 3.35Å; E10-R12 WeakPolarHBondContact O-CG 3.17Å; E10-R12 PolarHBondContact O-N 2.67Å
11Y48.2Very low58.7Low132 Ų132106.6 Ų106.652%0.51855%0.55SS..  trans-50.6102.9170.5172.8-94.5000108.7D9 P13D9-Y11 PolarHBondContact O-N 3.05Å; Y11-P13 HydrophobicContact CE1-CB 4.32Å
12R60.2Low61.7Low191 Ų19195.9 Ų95.972%0.72150%0.497SS*.  trans-90.4115.2173.5-70.4-170.9-174.6-174.83.9106.9E10E10-R12 VanDerWaalsContact C-N 3.35Å; E10-R12 WeakPolarHBondContact O-CG 3.17Å; E10-R12 PolarHBondContact O-N 2.67Å
13P68.2Low64.9Low91 Ų9191.8 Ų91.859%0.59146%0.462SS*.  trans-58.6147.2175.425.5-32.8000109.2Y11 V15Y11-P13 HydrophobicContact CE1-CB 4.32Å; P13-V15 PolarHBondContact O-N 3.17Å
14P80.7Confident68.3Low36 Ų3686 Ų8623%0.23443%0.431CS..  trans-57.5144177.326.8-35.6000109.9W16P14-W16 VanDerWaalsContact C-N 3.27Å; P14-W16 PolarHBondContact O-N 3.12Å
15V87.6Confident71.4Confident54 Ų5483.7 Ų83.733%0.32741%0.411SS..SBendtrans-53.9-50.5172.8167.10000109.7P13 I142 I146 A223P13-V15 PolarHBondContact O-N 3.17Å; V15-I142 HydrophobicContact CG1-CD1 4.27Å; V15-I146 HydrophobicContact CB-CD1 4.22Å; V15-I146 HydrophobicContact CG1-CD1 3.2Å; V15-I146 HydrophobicContact CG2-CD1 3.98Å; V15-A223 WeakPolarHBondContact O-CB 3.32Å
16W92Very high74.5Confident14 Ų1480.4 Ų80.45%0.05339%0.391CS..SBendtrans-84117.6-176.7-53.1116.3000110.9P14 I142 W218 A223 S267 D349 P351P14-W16 VanDerWaalsContact C-N 3.27Å; P14-W16 PolarHBondContact O-N 3.12Å; W16-I142 HydrophobicContact CH2-CD1 4.21Å; W16-I142 HydrophobicContact CZ3-CD1 3.9Å; W16-W218 HydrophobicContact CB-CG 4.23Å; W16-W218 HydrophobicContact CD2-CB 4.13Å; W16-W218 HydrophobicContact CD2-CG 4.4Å; W16-W218 HydrophobicContact CE3-CB 3.43Å; W16-W218 VanDerWaalsContact CE3-CB 3.43Å; W16-W218 AromaticContact CE3-CG 3.98Å; W16-W218 HydrophobicContact CE3-CG 3.98Å; W16-W218 HydrophobicContact CZ3-CB 3.82Å; W16-A223 HydrophobicContact CE3-CB 4.12Å; W16-A223 HydrophobicContact CZ3-CB 4.35Å; W16-S267 PolarHBondContact NE1-OG 3.5Å; W16-D349 PolarHBondContact NE1-O 3.36Å; W16-D349 VanDerWaalsContact NE1-O 3.15Å; W16-P351 HydrophobicContact CB-CB 4.24Å; W16-P351 HydrophobicContact CG-CB 4.28Å; W16-P351 HydrophobicContact CG-CG 4.36Å
17K92.5Very high77.7Confident66 Ų6671.9 Ų71.929%0.28735%0.354SS..BIsolated β-bridgetrans-81.2129.2-176.9-61.9167.2-175.9167.10110W218 C222 A223 N224K17-W218 PolarHBondContact O-NE1 3.26Å; K17-C222 PolarHBondContact NZ-O 3.3Å; K17-A223 PolarHBondContact N-O 3.24Å; K17-N224 WeakPolarHBondContact CB-OD1 3.43Å
18S92.3Very high80.8Confident21 Ų2165.6 Ų65.615%0.14732%0.322CS..  trans-89.9-17-174.857.50000114.5L20 Y21 Q22S18-L20 PolarHBondContact O-N 3.1Å; S18-Y21 WeakPolarHBondContact O-CA 3.44Å; S18-Y21 VanDerWaalsContact O-CB 3.31Å; S18-Y21 WeakPolarHBondContact O-CB 3.46Å; S18-Y21 PolarHBondContact O-N 3.45Å; S18-Q22 WeakPolarHBondContact O-CG 3.28Å; S18-Q22 PolarHBondContact O-N 3.48Å
19Y94.1Very high83.7Confident53 Ų5366.8 Ų66.821%0.20832%0.319CS..Hα-helixtrans-52.3-50.8-168.8179.8-128.7000114.1Y21 Q22 L23 A130 Y133 L432Y19-Y21 VanDerWaalsContact C-N 3.31Å; Y19-Y21 PolarHBondContact O-N 2.95Å; Y19-Q22 PolarHBondContact O-N 3.36Å; Y19-L23 HydrophobicContact CD1-CD1 4.43Å; Y19-L23 HydrophobicContact CD2-CD1 4.46Å; Y19-L23 HydrophobicContact CD2-CG 4.37Å; Y19-L23 HydrophobicContact CE1-CD1 3.94Å; Y19-L23 HydrophobicContact CE2-CD1 3.97Å; Y19-L23 HydrophobicContact CE2-CD2 4.19Å; Y19-L23 HydrophobicContact CE2-CG 4.04Å; Y19-L23 WeakPolarHBondContact O-CG 3.23Å; Y19-L23 PolarHBondContact O-N 2.77Å; Y19-A130 HydrophobicContact CE1-CB 3.66Å; Y19-Y133 AromaticContact CD1-CD1 3.72Å; Y19-Y133 HydrophobicContact CD1-CD1 3.72Å; Y19-Y133 HydrophobicContact CD1-CD2 4Å; Y19-Y133 AromaticContact CD1-CE1 3.82Å; Y19-Y133 HydrophobicContact CD1-CE1 3.82Å; Y19-Y133 HydrophobicContact CD1-CE2 4.09Å; Y19-Y133 AromaticContact CD1-CG 3.81Å; Y19-Y133 HydrophobicContact CD1-CG 3.81Å; Y19-Y133 AromaticContact CD1-CZ 4Å; Y19-Y133 HydrophobicContact CE1-CD1 4.06Å; Y19-Y133 HydrophobicContact CE1-CD2 4.19Å; Y19-Y133 AromaticContact CE1-CG 3.83Å; Y19-Y133 HydrophobicContact CE1-CG 3.83Å; Y19-L432 HydrophobicContact CD2-CD1 3.96Å; Y19-L432 HydrophobicContact CD2-CD2 3.95Å; Y19-L432 HydrophobicContact CD2-CG 4.38Å; Y19-L432 HydrophobicContact CE2-CD1 3.79Å; Y19-L432 HydrophobicContact CG-CD2 4.27Å
20L96.3Very high86.5Confident0 Ų060.5 Ų60.50%029%0.287CS..Hα-helixtrans-70.9-26.3179.4-58.8-175.4000113.2S18 L23 Q24 I126 A130 Y133 I134 N224 F225 W227S18-L20 PolarHBondContact O-N 3.1Å; L20-L23 HydrophobicContact CD2-CD1 4.21Å; L20-Q24 PolarHBondContact O-N 3.07Å; L20-Q24 VanDerWaalsContact O-N 3.16Å; L20-I126 HydrophobicContact CD2-CG2 4.01Å; L20-A130 HydrophobicContact CD2-CB 3.87Å; L20-Y133 HydrophobicContact CD2-CD1 4.07Å; L20-Y133 HydrophobicContact CD2-CE1 4.29Å; L20-Y133 HydrophobicContact CG-CD1 4.44Å; L20-Y133 HydrophobicContact CG-CE1 4.18Å; L20-I134 HydrophobicContact CD1-CG1 4.46Å; L20-I134 HydrophobicContact CD2-CG1 4.24Å; L20-N224 HydrophobicContact CD1-CB 4.14Å; L20-F225 HydrophobicContact CB-CB 4.14Å; L20-F225 HydrophobicContact CB-CD1 4.4Å; L20-W227 HydrophobicContact CD1-CE3 3.75Å; L20-W227 HydrophobicContact CD1-CZ3 3.68Å
21Y96.2Very high89.1Confident25 Ų2560.8 Ų60.810%0.09828%0.282CS..Hα-helixtrans-67.2-47.8172.1170.9-94.6000110S18 Y19 L23 Q24 Q25 P216 W218 F225 I352S18-Y21 WeakPolarHBondContact O-CA 3.44Å; S18-Y21 VanDerWaalsContact O-CB 3.31Å; S18-Y21 WeakPolarHBondContact O-CB 3.46Å; S18-Y21 PolarHBondContact O-N 3.45Å; Y19-Y21 VanDerWaalsContact C-N 3.31Å; Y19-Y21 PolarHBondContact O-N 2.95Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 2.93Å; Y21-Q24 WeakPolarHBondContact O-CB 3.49Å; Y21-Q24 PolarHBondContact O-N 3.02Å; Y21-Q25 HydrophobicContact CD1-CG 4.42Å; Y21-Q25 HydrophobicContact CE1-CG 3.96Å; Y21-Q25 HydrophobicContact CE2-CG 4.46Å; Y21-Q25 WeakPolarHBondContact O-CG 3.37Å; Y21-Q25 PolarHBondContact O-N 3.36Å; Y21-Q25 VanDerWaalsContact O-N 3.14Å; Y21-P216 HydrophobicContact CD2-CB 4.49Å; Y21-P216 HydrophobicContact CE2-CB 4.3Å; Y21-W218 HydrophobicContact CD2-CH2 4.15Å; Y21-W218 HydrophobicContact CD2-CZ2 4.29Å; Y21-W218 HydrophobicContact CG-CH2 4.48Å; Y21-W218 HydrophobicContact CG-CZ2 4.21Å; Y21-F225 VanDerWaalsContact CA-CD1 3.47Å; Y21-F225 HydrophobicContact CD2-CD2 4.12Å; Y21-F225 HydrophobicContact CD2-CE1 4.31Å; Y21-F225 AromaticContact CD2-CE2 3.86Å; Y21-F225 HydrophobicContact CD2-CE2 3.86Å; Y21-F225 HydrophobicContact CD2-CG 4.47Å; Y21-F225 AromaticContact CD2-CZ 3.96Å; Y21-F225 HydrophobicContact CD2-CZ 3.96Å; Y21-I352 HydrophobicContact CE1-CD1 4.2Å; Y21-I352 HydrophobicContact CE1-CG1 4.49Å; Y21-I352 HydrophobicContact CE2-CD1 3.84Å
22Q94.3Very high91.4Very high27 Ų2759.4 Ų59.413%0.12628%0.276CS..Hα-helixtrans-57-46.9175.9-66-57-31.400111.8S18 Y19 Q24 Q25 E26 Y357S18-Q22 WeakPolarHBondContact O-CG 3.28Å; S18-Q22 PolarHBondContact O-N 3.48Å; Y19-Q22 PolarHBondContact O-N 3.36Å; Q22-Q24 VanDerWaalsContact C-N 3.25Å; Q22-Q24 PolarHBondContact O-N 2.76Å; Q22-Q25 WeakPolarHBondContact O-CB 3.33Å; Q22-Q25 PolarHBondContact O-N 3.09Å; Q22-E26 PolarHBondContact O-N 3.39Å; Q22-Y357 VanDerWaalsContact NE2-CD2 3.27Å
23L96.4Very high93.2Very high5 Ų551.7 Ų51.73%0.02625%0.249CC..Hα-helixtrans-61.1-33.1176.8-68.2-179.6000113.2Y19 L20 Y21 E26 A27 Y125 I126 K129 A130Y19-L23 HydrophobicContact CD1-CD1 4.43Å; Y19-L23 HydrophobicContact CD2-CD1 4.46Å; Y19-L23 HydrophobicContact CD2-CG 4.37Å; Y19-L23 HydrophobicContact CE1-CD1 3.94Å; Y19-L23 HydrophobicContact CE2-CD1 3.97Å; Y19-L23 HydrophobicContact CE2-CD2 4.19Å; Y19-L23 HydrophobicContact CE2-CG 4.04Å; Y19-L23 WeakPolarHBondContact O-CG 3.23Å; Y19-L23 PolarHBondContact O-N 2.77Å; L20-L23 HydrophobicContact CD2-CD1 4.21Å; Y21-L23 VanDerWaalsContact C-N 3.34Å; Y21-L23 PolarHBondContact O-N 2.93Å; L23-E26 PolarHBondContact O-N 3.32Å; L23-A27 PolarHBondContact O-N 3.38Å; L23-A27 VanDerWaalsContact O-N 3.15Å; L23-Y125 HydrophobicContact CB-CD1 4.43Å; L23-Y125 HydrophobicContact CB-CE1 4.34Å; L23-Y125 HydrophobicContact CD2-CE1 4.08Å; L23-Y125 WeakPolarHBondContact O-CD1 3.47Å; L23-Y125 VanDerWaalsContact O-CE1 3.25Å; L23-Y125 WeakPolarHBondContact O-CE1 3.24Å; L23-I126 HydrophobicContact CB-CG1 3.85Å; L23-K129 HydrophobicContact CD1-CB 4.28Å; L23-K129 HydrophobicContact CD2-CB 4.24Å; L23-K129 HydrophobicContact CD2-CD 3.74Å; L23-A130 HydrophobicContact CD1-CB 3.62Å
24Q97.3Very high94.6Very high36 Ų3650.2 Ų50.217%0.16824%0.238CC..Hα-helixtrans-66.7-39.4174.2-175.4168.8-75.800111.7L20 Y21 Q22 E26 A27 I122 I126 F225L20-Q24 PolarHBondContact O-N 3.07Å; L20-Q24 VanDerWaalsContact O-N 3.16Å; Y21-Q24 WeakPolarHBondContact O-CB 3.49Å; Y21-Q24 PolarHBondContact O-N 3.02Å; Q22-Q24 VanDerWaalsContact C-N 3.25Å; Q22-Q24 PolarHBondContact O-N 2.76Å; Q24-E26 VanDerWaalsContact C-N 3.31Å; Q24-A27 WeakPolarHBondContact O-CB 3.22Å; Q24-A27 PolarHBondContact O-N 2.79Å; Q24-I122 HydrophobicContact CB-CG2 4.49Å; Q24-I122 HydrophobicContact CG-CD1 4.05Å; Q24-I122 HydrophobicContact CG-CG1 4.17Å; Q24-I122 HydrophobicContact CG-CG2 3.87Å; Q24-I126 HydrophobicContact CB-CD1 4.05Å; Q24-F225 HydrophobicContact CB-CE1 4.09Å; Q24-F225 HydrophobicContact CG-CE1 4.49Å
25Q93.9Very high95.2Very high87 Ų8749.6 Ų49.641%0.40723%0.234SC..Hα-helixtrans-67-33.8177.9-59.2-57.9100.600111.9Y21 Q22 A27Y21-Q25 HydrophobicContact CD1-CG 4.42Å; Y21-Q25 HydrophobicContact CE1-CG 3.96Å; Y21-Q25 HydrophobicContact CE2-CG 4.46Å; Y21-Q25 WeakPolarHBondContact O-CG 3.37Å; Y21-Q25 PolarHBondContact O-N 3.36Å; Y21-Q25 VanDerWaalsContact O-N 3.14Å; Q22-Q25 WeakPolarHBondContact O-CB 3.33Å; Q22-Q25 PolarHBondContact O-N 3.09Å; Q25-A27 VanDerWaalsContact C-N 3.32Å
26E95.1Very high95.3Very high101 Ų10153.5 Ų53.547%0.47226%0.258SS..Hα-helixtrans-76.7-14.8174.7-67.5175.7-15900114.2Q22 L23 Q24 Y125 K129Q22-E26 PolarHBondContact O-N 3.39Å; L23-E26 PolarHBondContact O-N 3.32Å; Q24-E26 VanDerWaalsContact C-N 3.31Å; E26-Y125 HydrophobicContact CB-CE1 3.64Å; E26-Y125 WeakPolarHBondContact CB-OH 3.43Å; E26-Y125 PolarHBondContact OE2-OH 3.01Å; E26-K129 IonicContact OE2-NZ 3.77Å; E26-K129 PolarHBondContact OE2-NZ 3.28Å
27A96.8Very high94.9Very high4 Ų457.3 Ų57.33%0.03329%0.286CS..SBendtrans-62.4138.2-172.300000111.3L23 Q24 Q25 I122 Y125L23-A27 PolarHBondContact O-N 3.38Å; L23-A27 VanDerWaalsContact O-N 3.15Å; Q24-A27 WeakPolarHBondContact O-CB 3.22Å; Q24-A27 PolarHBondContact O-N 2.79Å; Q25-A27 VanDerWaalsContact C-N 3.32Å; A27-I122 HydrophobicContact CB-CG1 4.05Å; A27-Y125 HydrophobicContact CB-CD1 3.96Å; A27-Y125 HydrophobicContact CB-CG 4.05Å
28P96.8Very high94.5Very high28 Ų2863.9 Ų63.918%0.18232%0.318CS..PPolyproline II helixtrans-61.9141.7-179.625.2-34.5000111.6E67 F88 L121P28-E67 HydrophobicContact CB-CG 4.2Å; P28-E67 HydrophobicContact CG-CG 4.38Å; P28-F88 HydrophobicContact CG-CD2 4.32Å; P28-F88 HydrophobicContact CG-CE2 4.25Å; P28-L121 HydrophobicContact CG-CB 4.46Å; P28-L121 HydrophobicContact CG-CD2 4.05Å; P28-L121 WeakPolarHBondContact O-CB 3.4Å; P28-L121 WeakPolarHBondContact O-CD1 3.4Å
29H95.8Very high94.3Very high138 Ų13864.6 Ų64.664%0.63932%0.321SS*.PPolyproline II helixtrans-86.6153.1178-61.1-52.6000112.5R31H29-R31 PolarHBondContact O-N 3.38Å
30P97.8Very high93.7Very high19 Ų1970.4 Ų70.412%0.12335%0.35CS..PPolyproline II helixtrans-61.5125.2177-19.629.5000112.4Y70 V117 T118 L121P30-Y70 HydrophobicContact CB-CD1 4.06Å; P30-Y70 HydrophobicContact CB-CE1 3.61Å; P30-V117 HydrophobicContact CB-CB 4.14Å; P30-V117 HydrophobicContact CB-CG1 3.69Å; P30-V117 HydrophobicContact CG-CB 4.19Å; P30-V117 HydrophobicContact CG-CG1 3.95Å; P30-T118 WeakPolarHBondContact CG-OG1 3.3Å; P30-L121 HydrophobicContact CG-CD1 4.31Å
31R97.8Very high93.2Very high149 Ų14977.7 Ų77.756%0.56239%0.389SS*.EExtended strand (participates in β ladder)trans-111.7101.2173.1-68-176.8174.1-173.3-0.2109.4H29 I33 G68 S69 Y70H29-R31 PolarHBondContact O-N 3.38Å; R31-I33 PolarHBondContact O-N 2.84Å; R31-G68 PolarHBondContact N-O 3.45Å; R31-S69 CarbonylContact O-C 3.56Å; R31-S69 WeakPolarHBondContact O-CA 3.2Å; R31-Y70 WeakPolarHBondContact O-CD1 3.4Å; R31-Y70 PolarHBondContact O-N 2.96Å
32R98.1Very high93Very high102 Ų10282.2 Ų82.239%0.38541%0.406SS..EExtended strand (participates in β ladder)trans-70.5120.2-179-176177.264.7-148.8-9.7110.3T34 E49 Y70R32-T34 PolarHBondContact O-N 3.28Å; R32-E49 WeakPolarHBondContact CD-OE2 3.34Å; R32-E49 HydrophobicContact CG-CB 3.79Å; R32-Y70 VanDerWaalsContact CA-CE1 3.49Å; R32-Y70 HydrophobicContact CB-CE1 3.8Å; R32-Y70 HydrophobicContact CG-CE1 4.49Å; R32-Y70 HydrophobicContact CG-CE2 4.36Å
33I97.9Very high93Very high30 Ų3081.6 Ų81.615%0.15440%0.404CS..PPolyproline II helixtrans-75.3122.7162.6-55.4-52.7000107.7R31 H51 L62 L63 V65 Y70 L71R31-I33 PolarHBondContact O-N 2.84Å; I33-H51 PolarHBondContact O-CE1 3.08Å; I33-L62 HydrophobicContact CG2-CB 4.35Å; I33-L63 HydrophobicContact CG1-CD2 3.9Å; I33-V65 HydrophobicContact CD1-CG2 3.63Å; I33-Y70 PolarHBondContact N-O 3.38Å; I33-L71 HydrophobicContact CB-CB 4.35Å
34T96.1Very high92.8Very high59 Ų5991.6 Ų91.636%0.36245%0.447SS..PPolyproline II helixtrans-96.5119.6-174.2-59.80000108.9R32 T36 R48R32-T34 PolarHBondContact O-N 3.28Å; T34-T36 PolarHBondContact O-N 3.46Å; T34-R48 HydrophobicContact CG2-CB 3.79Å; T34-R48 HydrophobicContact CG2-CG 4.41Å
35C93.8Very high92.7Very high23 Ų2393.7 Ų93.716%0.15545%0.454CS..PPolyproline II helixtrans-71.9120.8171.2-165.50000109R48 F50C35-R48 WeakPolarHBondContact CB-O 3.4Å; C35-R48 PolarHBondContact N-O 2.93Å; C35-F50 WeakPolarHBondContact CB-O 3.49Å
36T89.1Confident92.8Very high137 Ų13790 Ų9084%0.8444%0.437SS*.  trans-90.9-12.5176.849.50000112.7T34T34-T36 PolarHBondContact O-N 3.46Å
37C85.3Confident92.7Very high93 Ų9386.4 Ų86.463%0.62843%0.427SS*.SBendtrans-86.8143.5176.8-58.70000110.6V39C37-V39 PolarHBondContact O-N 3.21Å
38E82.9Confident92.6Very high204 Ų20493 Ų9395%0.95345%0.451SS*.  trans-74.5120.7169.8-165.3163-160.600109.1
39V87.8Confident92.6Very high37 Ų3792.5 Ų92.522%0.22445%0.446CS..  trans-102.3114.6-177.1-177.20000109C37 R42 F50C37-V39 PolarHBondContact O-N 3.21Å; V39-R42 PolarHBondContact O-N 3.03Å; V39-F50 HydrophobicContact CB-CD1 4.34Å; V39-F50 HydrophobicContact CG1-CD1 3.94Å; V39-F50 HydrophobicContact CG1-CE1 3.7Å
40E83Confident92.7Very high174 Ų17486.1 Ų86.181%0.81342%0.417SS*.THydrogen-bonded Turntrans-58.1141.5172.6-67.3-17517700110.7R42E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 2.77Å
41N85.5Confident92.6Very high153 Ų15386.3 Ų86.382%0.81842%0.416SS*.THydrogen-bonded Turntrans60.924.7179.2-55.7-49.8000116.3P43N41-P43 WeakPolarHBondContact O-CD 3.43Å
42R92.4Very high92.5Very high121 Ų12179.5 Ų79.546%0.45739%0.392SS..  trans-57.2125171.1178.2175.364.3163.3-2111.1V39 E40 K44 G47 F50V39-R42 PolarHBondContact O-N 3.03Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 2.77Å; R42-K44 PolarHBondContact O-N 2.89Å; R42-G47 WeakPolarHBondContact CD-O 3.29Å; R42-G47 VanDerWaalsContact NH1-C 3.28Å; R42-G47 PolarHBondContact NH1-O 2.65Å; R42-F50 HydrophobicContact CB-CD1 3.86Å; R42-F50 HydrophobicContact CB-CE1 4.15Å; R42-F50 HydrophobicContact CG-CB 4.14Å; R42-F50 HydrophobicContact CG-CD1 3.59Å; R42-F50 HydrophobicContact CG-CE1 4.26Å; R42-F50 HydrophobicContact CG-CG 4.03Å
43P93.7Very high92.3Very high13 Ų1379.3 Ų79.38%0.08440%0.396CS..  trans-58.9134.9172.8-2434000111.7N41 Y45 Y46 Y82N41-P43 WeakPolarHBondContact O-CD 3.43Å; P43-Y45 HydrophobicContact CB-CD1 4.24Å; P43-Y45 HydrophobicContact CB-CD2 4.11Å; P43-Y45 HydrophobicContact CB-CE1 3.76Å; P43-Y45 HydrophobicContact CB-CE2 3.63Å; P43-Y45 HydrophobicContact CB-CG 4.4Å; P43-Y45 VanDerWaalsContact CB-CZ 3.44Å; P43-Y45 HydrophobicContact CG-CE2 4.41Å; P43-Y45 PolarHBondContact O-N 3.5Å; P43-Y46 HydrophobicContact CB-CD2 3.88Å; P43-Y46 HydrophobicContact CB-CE2 4.35Å; P43-Y46 HydrophobicContact CG-CD2 3.83Å; P43-Y46 HydrophobicContact CG-CE2 4.16Å; P43-Y46 PolarHBondContact O-N 3.33Å; P43-Y82 HydrophobicContact CG-CE1 3.74Å; P43-Y82 HydrophobicContact CG-CE2 3.99Å; P43-Y82 VanDerWaalsContact CG-CZ 3.4Å; P43-Y82 VanDerWaalsContact CG-OH 3.29Å; P43-Y82 WeakPolarHBondContact CG-OH 3.3Å
44K92.8Very high92.2Very high215 Ų21579.6 Ų79.694%0.93540%0.398SS*.THydrogen-bonded Turntrans-58.9-23.5-174.5-65.6-175.1179.8-179.20114.3R42R42-K44 PolarHBondContact O-N 2.89Å
45Y93.9Very high92.1Very high80 Ų8078.2 Ų78.231%0.31439%0.391SS..THydrogen-bonded Turntrans-87.81179.650-101.3000113.7P43 Y82 Y99 H103P43-Y45 HydrophobicContact CB-CD1 4.24Å; P43-Y45 HydrophobicContact CB-CD2 4.11Å; P43-Y45 HydrophobicContact CB-CE1 3.76Å; P43-Y45 HydrophobicContact CB-CE2 3.63Å; P43-Y45 HydrophobicContact CB-CG 4.4Å; P43-Y45 VanDerWaalsContact CB-CZ 3.44Å; P43-Y45 HydrophobicContact CG-CE2 4.41Å; P43-Y45 PolarHBondContact O-N 3.5Å; Y45-Y82 WeakPolarHBondContact OH-CE2 3.33Å; Y45-Y99 AromaticContact CD1-CD1 3.68Å; Y45-Y99 HydrophobicContact CD1-CD1 3.68Å; Y45-Y99 AromaticContact CD1-CE1 3.59Å; Y45-Y99 HydrophobicContact CD1-CE1 3.59Å; Y45-Y99 HydrophobicContact CD1-CG 4.3Å; Y45-Y99 HydrophobicContact CD2-CD1 4.19Å; Y45-Y99 HydrophobicContact CD2-CD2 4.14Å; Y45-Y99 HydrophobicContact CD2-CE2 4.48Å; Y45-Y99 AromaticContact CD2-CG 3.97Å; Y45-Y99 HydrophobicContact CD2-CG 3.97Å; Y45-Y99 AromaticContact CE1-CD1 3.81Å; Y45-Y99 HydrophobicContact CE1-CD1 3.81Å; Y45-Y99 HydrophobicContact CE1-CE1 4.15Å; Y45-Y99 HydrophobicContact CE1-CG 4.44Å; Y45-Y99 HydrophobicContact CE2-CD1 4.29Å; Y45-Y99 HydrophobicContact CE2-CG 4.1Å; Y45-Y99 AromaticContact CG-CD1 3.87Å; Y45-Y99 HydrophobicContact CG-CD1 3.87Å; Y45-Y99 HydrophobicContact CG-CD2 4.21Å; Y45-Y99 AromaticContact CG-CE1 3.8Å; Y45-Y99 HydrophobicContact CG-CE1 3.8Å; Y45-Y99 HydrophobicContact CG-CE2 4.14Å; Y45-Y99 HydrophobicContact CG-CG 4.07Å; Y45-Y99 AromaticContact CG-CZ 3.93Å; Y45-H103 PolarHBondContact O-CE1 3.23Å; Y45-H103 VanDerWaalsContact O-CE1 3.25Å
46Y95.7Very high92.1Very high9 Ų983.2 Ų83.24%0.03541%0.406CS..  trans-110143.2170.1-62.9-43.8000111.7P43 F50 I72 Y82 L97 H103 I113P43-Y46 HydrophobicContact CB-CD2 3.88Å; P43-Y46 HydrophobicContact CB-CE2 4.35Å; P43-Y46 HydrophobicContact CG-CD2 3.83Å; P43-Y46 HydrophobicContact CG-CE2 4.16Å; P43-Y46 PolarHBondContact O-N 3.33Å; Y46-F50 AromaticContact CD2-CD2 3.81Å; Y46-F50 HydrophobicContact CD2-CD2 3.81Å; Y46-F50 HydrophobicContact CD2-CE2 4.2Å; Y46-F50 HydrophobicContact CE2-CD2 4.49Å; Y46-F50 HydrophobicContact CG-CD2 4.42Å; Y46-I72 HydrophobicContact CD1-CD1 3.44Å; Y46-I72 VanDerWaalsContact CD1-CD1 3.44Å; Y46-I72 HydrophobicContact CD2-CG2 4.35Å; Y46-I72 HydrophobicContact CE1-CD1 3.58Å; Y46-I72 HydrophobicContact CE2-CG2 4.15Å; Y46-I72 HydrophobicContact CG-CD1 4.05Å; Y46-Y82 HydrophobicContact CE2-CD1 4.11Å; Y46-Y82 AromaticContact CE2-CD2 3.7Å; Y46-Y82 HydrophobicContact CE2-CD2 3.7Å; Y46-Y82 HydrophobicContact CE2-CE2 4.27Å; Y46-Y82 AromaticContact CE2-CG 3.6Å; Y46-Y82 HydrophobicContact CE2-CG 3.6Å; Y46-L97 HydrophobicContact CE1-CD1 4.35Å; Y46-H103 AromaticContact CE1-CE1 4Å; Y46-H103 AromaticContact CE1-ND1 3.89Å; Y46-I113 HydrophobicContact CD1-CD1 4.39Å; Y46-I113 HydrophobicContact CD1-CG1 4.18Å; Y46-I113 HydrophobicContact CE1-CD1 3.97Å; Y46-I113 HydrophobicContact CE1-CG1 4.26Å
47G94.3Very high92.4Very high26 Ų2682.8 Ų82.827%0.26840%0.395SS..  trans-92.8-142-178.300000113.5R42 E49R42-G47 WeakPolarHBondContact CD-O 3.29Å; R42-G47 VanDerWaalsContact NH1-C 3.28Å; R42-G47 PolarHBondContact NH1-O 2.65Å; G47-E49 VanDerWaalsContact C-OE2 3.28Å; G47-E49 WeakPolarHBondContact CA-OE1 3.19Å; G47-E49 VanDerWaalsContact CA-OE2 3.31Å; G47-E49 WeakPolarHBondContact CA-OE2 3.49Å; G47-E49 PolarHBondContact N-OE1 3.48Å; G47-E49 PolarHBondContact O-N 2.79Å
48R95.1Very high92.8Very high144 Ų14480.2 Ų80.254%0.54338%0.38SS..THydrogen-bonded Turntrans-78-6.8-178.8-66.9-178.7-80.9179.1-8113T34 C35 F50T34-R48 HydrophobicContact CG2-CB 3.79Å; T34-R48 HydrophobicContact CG2-CG 4.41Å; C35-R48 WeakPolarHBondContact CB-O 3.4Å; C35-R48 PolarHBondContact N-O 2.93Å; R48-F50 VanDerWaalsContact C-N 3.25Å
49E96.5Very high93.5Very high16 Ų1670.5 Ų70.58%0.07534%0.335CS..THydrogen-bonded Turntrans-73.3-14.8172.661.4-80.4-17700113.3R32 G47 H51 Y70 I72 I113R32-E49 WeakPolarHBondContact CD-OE2 3.34Å; R32-E49 HydrophobicContact CG-CB 3.79Å; G47-E49 VanDerWaalsContact C-OE2 3.28Å; G47-E49 WeakPolarHBondContact CA-OE1 3.19Å; G47-E49 VanDerWaalsContact CA-OE2 3.31Å; G47-E49 WeakPolarHBondContact CA-OE2 3.49Å; G47-E49 PolarHBondContact N-OE1 3.48Å; G47-E49 PolarHBondContact O-N 2.79Å; E49-H51 PolarHBondContact O-CE1 2.91Å; E49-H51 PolarHBondContact O-ND1 3.36Å; E49-Y70 HydrophobicContact CB-CE2 4.05Å; E49-Y70 HydrophobicContact CG-CE2 4.38Å; E49-I72 HydrophobicContact CG-CD1 3.7Å; E49-I72 HydrophobicContact CG-CG1 3.93Å; E49-I72 PolarHBondContact O-N 3.2Å; E49-I113 HydrophobicContact CG-CG2 4.49Å
50F97.6Very high93.9Very high5 Ų571.4 Ų71.42%0.02234%0.339CS..BIsolated β-bridgetrans-82121.8-178.3-172-103.6000112C35 V39 R42 Y46 R48 I72 E74 Y82C35-F50 WeakPolarHBondContact CB-O 3.49Å; V39-F50 HydrophobicContact CB-CD1 4.34Å; V39-F50 HydrophobicContact CG1-CD1 3.94Å; V39-F50 HydrophobicContact CG1-CE1 3.7Å; R42-F50 HydrophobicContact CB-CD1 3.86Å; R42-F50 HydrophobicContact CB-CE1 4.15Å; R42-F50 HydrophobicContact CG-CB 4.14Å; R42-F50 HydrophobicContact CG-CD1 3.59Å; R42-F50 HydrophobicContact CG-CE1 4.26Å; R42-F50 HydrophobicContact CG-CG 4.03Å; Y46-F50 AromaticContact CD2-CD2 3.81Å; Y46-F50 HydrophobicContact CD2-CD2 3.81Å; Y46-F50 HydrophobicContact CD2-CE2 4.2Å; Y46-F50 HydrophobicContact CE2-CD2 4.49Å; Y46-F50 HydrophobicContact CG-CD2 4.42Å; R48-F50 VanDerWaalsContact C-N 3.25Å; F50-I72 CarbonylContact C-O 3.55Å; F50-I72 WeakPolarHBondContact CA-O 3.24Å; F50-I72 HydrophobicContact CD2-CB 4.17Å; F50-I72 HydrophobicContact CD2-CG2 3.73Å; F50-I72 HydrophobicContact CE2-CG2 4.22Å; F50-E74 HydrophobicContact CZ-CB 4.48Å; F50-Y82 AromaticContact CE2-CD1 3.7Å; F50-Y82 HydrophobicContact CE2-CD1 3.7Å; F50-Y82 AromaticContact CE2-CE1 3.98Å; F50-Y82 HydrophobicContact CE2-CE1 3.98Å; F50-Y82 HydrophobicContact CZ-CD1 4.24Å; F50-Y82 HydrophobicContact CZ-CE1 4.1Å
51H96.4Very high94.5Very high23 Ų2369.6 Ų69.611%0.10633%0.33CS..  trans-109.69.3-176.7-69.666000113.3I33 E49 I54 I72I33-H51 PolarHBondContact O-CE1 3.08Å; E49-H51 PolarHBondContact O-CE1 2.91Å; E49-H51 PolarHBondContact O-ND1 3.36Å; H51-I54 HydrophobicContact CB-CD1 3.9Å; H51-I54 HydrophobicContact CB-CG1 4.38Å; H51-I54 HydrophobicContact CB-CG2 4.45Å; H51-I72 PolarHBondContact N-O 3.01Å
52G94.8Very high95.1Very high5 Ų565.6 Ų65.65%0.05231%0.308CS..  trans66-149.3-176.300000112.6I54 R73 E74G52-I54 PolarHBondContact O-N 3.18Å; G52-R73 CarbonylContact O-C 3.59Å; G52-R73 VanDerWaalsContact O-CA 3.32Å; G52-R73 WeakPolarHBondContact O-CA 3.31Å; G52-R73 WeakPolarHBondContact O-CB 3.44Å; G52-E74 PolarHBondContact O-N 2.95Å
53M94.4Very high95.3Very high98 Ų9859.8 Ų59.848%0.48329%0.286SS..SBendtrans-88.385.4-176.3-167.9-179.2-63.400111.6E74 Q76M53-E74 HydrophobicContact CB-CB 4.28Å; M53-E74 HydrophobicContact CE-CG 4.27Å; M53-Q76 HydrophobicContact CG-CG 3.65Å; M53-Q76 HydrophobicContact SD-CG 4.09Å
54I94.3Very high95.5Very high36 Ų3663.6 Ų63.619%0.18531%0.305CS..  trans-106.2154.1173.362.3169.7000112.1H51 G52 A58 A59 L62 L71 R73H51-I54 HydrophobicContact CB-CD1 3.9Å; H51-I54 HydrophobicContact CB-CG1 4.38Å; H51-I54 HydrophobicContact CB-CG2 4.45Å; G52-I54 PolarHBondContact O-N 3.18Å; I54-A58 HydrophobicContact CB-CB 4.3Å; I54-A59 HydrophobicContact CD1-CB 3.94Å; I54-L62 HydrophobicContact CD1-CD1 4.14Å; I54-L71 HydrophobicContact CD1-CD1 4.05Å; I54-L71 HydrophobicContact CD1-CD2 4.41Å; I54-R73 HydrophobicContact CD1-CB 4.35Å; I54-R73 HydrophobicContact CG1-CB 3.7Å; I54-R73 HydrophobicContact CG1-CG 4.44Å
55S94.3Very high95.5Very high30 Ų3058.3 Ų58.321%0.2129%0.29CS..  trans-69.5166.8175.590.50000111.7E57 A58 A59S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 WeakPolarHBondContact CB-OE2 3.46Å; S55-E57 PolarHBondContact OG-N 3.44Å; S55-E57 PolarHBondContact OG-OE2 3.43Å; S55-A58 PolarHBondContact OG-N 3.37Å; S55-A58 VanDerWaalsContact OG-N 3.11Å; S55-A59 PolarHBondContact O-N 2.81Å; S55-A59 VanDerWaalsContact O-N 3.07Å
56R94.1Very high95.6Very high129 Ų12955.4 Ų55.449%0.48728%0.283SS..Hα-helixtrans-67-39.3176.3-71.4-177.4178.1-172.8-2.3111.2A59 D60R56-A59 WeakPolarHBondContact O-CB 3.45Å; R56-A59 PolarHBondContact O-N 3.02Å; R56-D60 VanDerWaalsContact O-CG 3.29Å; R56-D60 PolarHBondContact O-N 3.4Å
57E94.9Very high95.6Very high127 Ų12758.2 Ų58.259%0.59330%0.296SS*.Hα-helixtrans-64.9-42179.3-54.270.5-150.500110.6S55 D60 Q61S55-E57 VanDerWaalsContact C-N 3.33Å; S55-E57 WeakPolarHBondContact CB-OE2 3.46Å; S55-E57 PolarHBondContact OG-N 3.44Å; S55-E57 PolarHBondContact OG-OE2 3.43Å; E57-D60 PolarHBondContact O-N 2.88Å; E57-Q61 WeakPolarHBondContact O-CG 3.34Å; E57-Q61 PolarHBondContact O-N 3.16Å; E57-Q61 VanDerWaalsContact O-N 3.07Å
58A95.5Very high95.8Very high39 Ų3957 Ų5732%0.32228%0.284SS..Hα-helixtrans-63.2-42.6173.700000111.7I54 S55 Q61 L62I54-A58 HydrophobicContact CB-CB 4.3Å; S55-A58 PolarHBondContact OG-N 3.37Å; S55-A58 VanDerWaalsContact OG-N 3.11Å; A58-Q61 PolarHBondContact O-N 2.88Å; A58-L62 WeakPolarHBondContact O-CG 3.31Å; A58-L62 PolarHBondContact O-N 3.25Å
59A96.3Very high95.9Very high1 Ų150.1 Ų50.11%0.00826%0.258CS..Hα-helixtrans-62.6-42.5175.200000111.8I54 S55 R56 Q61 L62 L63 L71 A85I54-A59 HydrophobicContact CD1-CB 3.94Å; S55-A59 PolarHBondContact O-N 2.81Å; S55-A59 VanDerWaalsContact O-N 3.07Å; R56-A59 WeakPolarHBondContact O-CB 3.45Å; R56-A59 PolarHBondContact O-N 3.02Å; A59-Q61 PolarHBondContact O-N 3.34Å; A59-L62 PolarHBondContact O-N 3.2Å; A59-L63 WeakPolarHBondContact O-CB 3.17Å; A59-L63 WeakPolarHBondContact O-CG 3.44Å; A59-L63 PolarHBondContact O-N 2.84Å; A59-L71 HydrophobicContact CB-CD1 4.2Å; A59-A85 HydrophobicContact CB-CB 4.48Å
60D96.4Very high96Very high56 Ų5649.6 Ų49.630%0.29926%0.255SS..Hα-helixtrans-59-46177.5-72.1-20.9000111.4R56 E57 L62 L63 I64 T92R56-D60 VanDerWaalsContact O-CG 3.29Å; R56-D60 PolarHBondContact O-N 3.4Å; E57-D60 PolarHBondContact O-N 2.88Å; D60-L62 VanDerWaalsContact C-N 3.26Å; D60-L62 PolarHBondContact O-N 3.41Å; D60-L63 PolarHBondContact O-N 3.25Å; D60-I64 WeakPolarHBondContact O-CG2 3.47Å; D60-I64 PolarHBondContact O-N 2.95Å; D60-T92 WeakPolarHBondContact OD1-CB 3.35Å; D60-T92 VanDerWaalsContact OD1-CG2 3.3Å; D60-T92 WeakPolarHBondContact OD1-CG2 3.36Å; D60-T92 PolarHBondContact OD1-OG1 3.18Å
61Q96.8Very high96.1Very high135 Ų13549.4 Ų49.463%0.63125%0.254SS*.Hα-helixtrans-60.9-32.1177.3-69.9-62.8-20.300113.7E57 A58 A59 I64E57-Q61 WeakPolarHBondContact O-CG 3.34Å; E57-Q61 PolarHBondContact O-N 3.16Å; E57-Q61 VanDerWaalsContact O-N 3.07Å; A58-Q61 PolarHBondContact O-N 2.88Å; A59-Q61 PolarHBondContact O-N 3.34Å; Q61-I64 WeakPolarHBondContact O-CG1 3.31Å
62L96.8Very high96.1Very high69 Ų6948.3 Ų48.336%0.36125%0.249SC..Hα-helixtrans-76.8-28.9175.4-66.1174.2000112.4I33 I54 A58 A59 D60 L71I33-L62 HydrophobicContact CG2-CB 4.35Å; I54-L62 HydrophobicContact CD1-CD1 4.14Å; A58-L62 WeakPolarHBondContact O-CG 3.31Å; A58-L62 PolarHBondContact O-N 3.25Å; A59-L62 PolarHBondContact O-N 3.2Å; D60-L62 VanDerWaalsContact C-N 3.26Å; D60-L62 PolarHBondContact O-N 3.41Å; L62-L71 HydrophobicContact CB-CD2 3.86Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å
63L97.4Very high96.2Very high0 Ų048.5 Ų48.50%025%0.248CC..Hα-helixtrans-91.6-18-172.6-70175000114.1I33 A59 D60 V65 S69 L71 A85 R87 T92I33-L63 HydrophobicContact CG1-CD2 3.9Å; A59-L63 WeakPolarHBondContact O-CB 3.17Å; A59-L63 WeakPolarHBondContact O-CG 3.44Å; A59-L63 PolarHBondContact O-N 2.84Å; D60-L63 PolarHBondContact O-N 3.25Å; L63-V65 PolarHBondContact O-N 3.18Å; L63-V65 VanDerWaalsContact O-N 3.09Å; L63-S69 VanDerWaalsContact CD2-C 3.46Å; L63-S69 WeakPolarHBondContact CD2-O 3.32Å; L63-L71 HydrophobicContact CD1-CD2 4.47Å; L63-L71 HydrophobicContact CD1-CG 4.35Å; L63-L71 HydrophobicContact CD2-CD2 4.06Å; L63-L71 HydrophobicContact CD2-CG 4.07Å; L63-L71 HydrophobicContact CG-CD2 4Å; L63-L71 HydrophobicContact CG-CG 4.27Å; L63-A85 HydrophobicContact CD1-CB 3.66Å; L63-R87 HydrophobicContact CB-CB 4.28Å; L63-T92 HydrophobicContact CD1-CG2 3.55Å
64I96.4Very high96.3Very high93 Ų9345.8 Ų45.848%0.47724%0.235SC..THydrogen-bonded Turntrans-62.8-15.3179.960.6173.2000114D60 Q61 A66D60-I64 WeakPolarHBondContact O-CG2 3.47Å; D60-I64 PolarHBondContact O-N 2.95Å; Q61-I64 WeakPolarHBondContact O-CG1 3.31Å; I64-A66 PolarHBondContact O-N 3.25Å
65V94.6Very high96.2Very high103 Ų10345 Ų4562%0.62423%0.233SC*.THydrogen-bonded Turntrans-58.2-34.9-175.1-61.10000113.4I33 L63 S69I33-V65 HydrophobicContact CD1-CG2 3.63Å; L63-V65 PolarHBondContact O-N 3.18Å; L63-V65 VanDerWaalsContact O-N 3.09Å; V65-S69 WeakPolarHBondContact CG2-OG 3.27Å
66A95.6Very high96Very high19 Ų1949.1 Ų49.116%0.15725%0.248CC..SBendtrans-164.6154.7179.600000112.8I64 S69I64-A66 PolarHBondContact O-N 3.25Å; A66-S69 PolarHBondContact N-OG 2.72Å; A66-S69 WeakPolarHBondContact O-CB 3.18Å; A66-S69 PolarHBondContact O-N 2.89Å; A66-S69 PolarHBondContact O-OG 3.25Å
67E96.2Very high95.8Very high68 Ų6853.6 Ų53.632%0.31827%0.265SS..THydrogen-bonded Turntrans-60.7142.1166.1-167.371172.800111.4P28 S69 F88 G89P28-E67 HydrophobicContact CB-CG 4.2Å; P28-E67 HydrophobicContact CG-CG 4.38Å; E67-S69 PolarHBondContact O-N 3Å; E67-F88 WeakPolarHBondContact OE1-CA 3.21Å; E67-G89 PolarHBondContact OE1-N 3.09Å; E67-G89 PolarHBondContact OE2-N 3Å
68G97.1Very high95.6Very high0 Ų052.2 Ų52.20%026%0.259CS..THydrogen-bonded Turntrans78.3-0.7-175.600000114.2R31 R87R31-G68 PolarHBondContact N-O 3.45Å; G68-R87 PolarHBondContact N-O 3.15Å
69S98.3Very high95.3Very high1 Ų154.9 Ų54.91%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-60.9136.1173.5-62.40000110.7R31 L63 V65 A66 E67 R87R31-S69 CarbonylContact O-C 3.56Å; R31-S69 WeakPolarHBondContact O-CA 3.2Å; L63-S69 VanDerWaalsContact CD2-C 3.46Å; L63-S69 WeakPolarHBondContact CD2-O 3.32Å; V65-S69 WeakPolarHBondContact CG2-OG 3.27Å; A66-S69 PolarHBondContact N-OG 2.72Å; A66-S69 WeakPolarHBondContact O-CB 3.18Å; A66-S69 PolarHBondContact O-N 2.89Å; A66-S69 PolarHBondContact O-OG 3.25Å; E67-S69 PolarHBondContact O-N 3Å; S69-R87 PolarHBondContact O-N 2.86Å
70Y98.6Very high95Very high5 Ų557 Ų572%0.0230%0.295CS..EExtended strand (participates in β ladder)trans-144.7154.4177.277.1-84.5000113.3P30 R31 R32 I33 E49 L84 A85 I113 V117P30-Y70 HydrophobicContact CB-CD1 4.06Å; P30-Y70 HydrophobicContact CB-CE1 3.61Å; R31-Y70 WeakPolarHBondContact O-CD1 3.4Å; R31-Y70 PolarHBondContact O-N 2.96Å; R32-Y70 VanDerWaalsContact CA-CE1 3.49Å; R32-Y70 HydrophobicContact CB-CE1 3.8Å; R32-Y70 HydrophobicContact CG-CE1 4.49Å; R32-Y70 HydrophobicContact CG-CE2 4.36Å; I33-Y70 PolarHBondContact N-O 3.38Å; E49-Y70 HydrophobicContact CB-CE2 4.05Å; E49-Y70 HydrophobicContact CG-CE2 4.38Å; Y70-L84 HydrophobicContact CD2-CD1 3.85Å; Y70-L84 HydrophobicContact CG-CD1 4.38Å; Y70-A85 VanDerWaalsContact CA-O 3.25Å; Y70-A85 WeakPolarHBondContact CA-O 3.43Å; Y70-I113 HydrophobicContact CD2-CG2 4.41Å; Y70-I113 HydrophobicContact CE2-CG2 3.71Å; Y70-V117 HydrophobicContact CD1-CB 4.42Å; Y70-V117 HydrophobicContact CD1-CG1 3.78Å; Y70-V117 HydrophobicContact CD1-CG2 4.27Å; Y70-V117 HydrophobicContact CD2-CG2 3.78Å; Y70-V117 HydrophobicContact CE1-CB 4.5Å; Y70-V117 HydrophobicContact CE1-CG1 4.21Å; Y70-V117 HydrophobicContact CE1-CG2 4.44Å; Y70-V117 HydrophobicContact CE2-CG2 3.98Å; Y70-V117 HydrophobicContact CG-CG1 4.01Å; Y70-V117 HydrophobicContact CG-CG2 3.93Å
71L98.3Very high94.9Very high0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-149.5163.1171.660.682.9000111.2I33 I54 A59 L62 L63 R73 A85I33-L71 HydrophobicContact CB-CB 4.35Å; I54-L71 HydrophobicContact CD1-CD1 4.05Å; I54-L71 HydrophobicContact CD1-CD2 4.41Å; A59-L71 HydrophobicContact CB-CD1 4.2Å; L62-L71 HydrophobicContact CB-CD2 3.86Å; L62-L71 HydrophobicContact CD1-CD2 3.89Å; L63-L71 HydrophobicContact CD1-CD2 4.47Å; L63-L71 HydrophobicContact CD1-CG 4.35Å; L63-L71 HydrophobicContact CD2-CD2 4.06Å; L63-L71 HydrophobicContact CD2-CG 4.07Å; L63-L71 HydrophobicContact CG-CD2 4Å; L63-L71 HydrophobicContact CG-CG 4.27Å; L71-R73 HydrophobicContact CD1-CB 4.2Å; L71-R73 HydrophobicContact CD1-CG 4.38Å; L71-A85 HydrophobicContact CD1-CB 3.98Å; L71-A85 HydrophobicContact CG-CB 4.37Å; L71-A85 PolarHBondContact N-O 2.89Å; L71-A85 PolarHBondContact O-N 3.42Å
72I98.1Very high94.9Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-110135.3172.5-57.6179000108.7Y46 E49 F50 H51 T83 L84 L97 I113Y46-I72 HydrophobicContact CD1-CD1 3.44Å; Y46-I72 VanDerWaalsContact CD1-CD1 3.44Å; Y46-I72 HydrophobicContact CD2-CG2 4.35Å; Y46-I72 HydrophobicContact CE1-CD1 3.58Å; Y46-I72 HydrophobicContact CE2-CG2 4.15Å; Y46-I72 HydrophobicContact CG-CD1 4.05Å; E49-I72 HydrophobicContact CG-CD1 3.7Å; E49-I72 HydrophobicContact CG-CG1 3.93Å; E49-I72 PolarHBondContact O-N 3.2Å; F50-I72 CarbonylContact C-O 3.55Å; F50-I72 WeakPolarHBondContact CA-O 3.24Å; F50-I72 HydrophobicContact CD2-CB 4.17Å; F50-I72 HydrophobicContact CD2-CG2 3.73Å; F50-I72 HydrophobicContact CE2-CG2 4.22Å; H51-I72 PolarHBondContact N-O 3.01Å; I72-T83 WeakPolarHBondContact CA-O 3.5Å; I72-L84 HydrophobicContact CG1-CD1 4.45Å; I72-L97 HydrophobicContact CB-CD1 4.47Å; I72-L97 HydrophobicContact CD1-CD1 3.69Å; I72-L97 HydrophobicContact CG1-CD1 3.8Å; I72-L97 HydrophobicContact CG2-CD1 3.91Å; I72-I113 HydrophobicContact CD1-CD1 3.83Å; I72-I113 HydrophobicContact CD1-CG1 3.88Å; I72-I113 HydrophobicContact CD1-CG2 4.07Å
73R96.2Very high94.9Very high9 Ų948 Ų483%0.03425%0.25CS..EExtended strand (participates in β ladder)trans-134154.7175.262.4-179.8-175.471.710.9111.5G52 I54 L71 Y82 T83 N94G52-R73 CarbonylContact O-C 3.59Å; G52-R73 VanDerWaalsContact O-CA 3.32Å; G52-R73 WeakPolarHBondContact O-CA 3.31Å; G52-R73 WeakPolarHBondContact O-CB 3.44Å; I54-R73 HydrophobicContact CD1-CB 4.35Å; I54-R73 HydrophobicContact CG1-CB 3.7Å; I54-R73 HydrophobicContact CG1-CG 4.44Å; L71-R73 HydrophobicContact CD1-CB 4.2Å; L71-R73 HydrophobicContact CD1-CG 4.38Å; R73-Y82 CarbonylContact O-C 3.37Å; R73-Y82 WeakPolarHBondContact O-CA 3.44Å; R73-T83 PolarHBondContact N-O 2.72Å; R73-T83 PolarHBondContact O-N 3.36Å; R73-N94 PolarHBondContact NH2-OD1 3.05Å
74E95.9Very high94.9Very high41 Ų4148.1 Ų48.119%0.19225%0.251CS..EExtended strand (participates in β ladder)trans-79.5145.6170-171.3170.7-173.900110.9F50 G52 M53 Q76 G80 Y82F50-E74 HydrophobicContact CZ-CB 4.48Å; G52-E74 PolarHBondContact O-N 2.95Å; M53-E74 HydrophobicContact CB-CB 4.28Å; M53-E74 HydrophobicContact CE-CG 4.27Å; E74-Q76 PolarHBondContact O-N 3.4Å; E74-G80 PolarHBondContact OE1-N 2.83Å; E74-Y82 HydrophobicContact CB-CD1 4.31Å; E74-Y82 HydrophobicContact CB-CE1 4.49Å; E74-Y82 HydrophobicContact CG-CD1 4.39Å; E74-Y82 HydrophobicContact CG-CE1 4.31Å
75S92.5Very high95Very high21 Ų2143.7 Ų43.715%0.14723%0.228CC..  trans-77.1120.5178.7179.70000111.4R77 Q78 T81S75-R77 PolarHBondContact O-N 2.84Å; S75-R77 PolarHBondContact OG-N 2.72Å; S75-Q78 CarbonylContact O-C 3.58Å; S75-Q78 PolarHBondContact O-N 3.18Å; S75-Q78 PolarHBondContact OG-N 2.7Å; S75-T81 WeakPolarHBondContact CB-O 3.34Å; S75-T81 PolarHBondContact N-O 3.24Å
76Q90.1Very high95.2Very high115 Ų11539 Ų3954%0.53720%0.199SC..THydrogen-bonded Turntrans-62-23.9170.8-69.5176.8-37.700113.3M53 E74M53-Q76 HydrophobicContact CG-CG 3.65Å; M53-Q76 HydrophobicContact SD-CG 4.09Å; E74-Q76 PolarHBondContact O-N 3.4Å
77R90Very high95.3Very high224 Ų22440 Ų4085%0.84520%0.199SC*.THydrogen-bonded Turntrans-85.5-27.7-179.6-65.1-173.9-179.6-164.8-1.4113.1S75S75-R77 PolarHBondContact O-N 2.84Å; S75-R77 PolarHBondContact OG-N 2.72Å
78Q90.5Very high95.4Very high97 Ų9737.3 Ų37.345%0.45319%0.187SC..SBendtrans-144.494.4-175.6-171.8176.815.500108.9S75 T81S75-Q78 CarbonylContact O-C 3.58Å; S75-Q78 PolarHBondContact O-N 3.18Å; S75-Q78 PolarHBondContact OG-N 2.7Å; Q78-T81 WeakPolarHBondContact O-CB 3.29Å; Q78-T81 PolarHBondContact O-N 2.78Å; Q78-T81 VanDerWaalsContact O-N 3.17Å; Q78-T81 PolarHBondContact OE1-OG1 3.14Å
79P88.9Confident95.3Very high96 Ų9639.3 Ų39.362%0.62321%0.207SC*.THydrogen-bonded Turntrans-53145.4174.7-26.735.5000112T81P79-T81 PolarHBondContact O-N 3.31Å
80G89.8Confident95Very high46 Ų4643.6 Ų43.647%0.47424%0.237SC..THydrogen-bonded Turntrans75.32.3-174.900000115E74E74-G80 PolarHBondContact OE1-N 2.83Å
81T94.4Very high94.8Very high17 Ų1749.7 Ų49.710%0.10427%0.266CS..  trans-106.2132.2171.7-62.90000110.9S75 Q78 P79 R96S75-T81 WeakPolarHBondContact CB-O 3.34Å; S75-T81 PolarHBondContact N-O 3.24Å; Q78-T81 WeakPolarHBondContact O-CB 3.29Å; Q78-T81 PolarHBondContact O-N 2.78Å; Q78-T81 VanDerWaalsContact O-N 3.17Å; Q78-T81 PolarHBondContact OE1-OG1 3.14Å; P79-T81 PolarHBondContact O-N 3.31Å; T81-R96 HydrophobicContact CG2-CG 4.09Å; T81-R96 PolarHBondContact OG1-NH2 3.04Å
82Y96.9Very high94.8Very high37 Ų3750.9 Ų50.915%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-108.7147.4-175.9-47.6-69.1000111.8P43 Y45 Y46 F50 R73 E74 L97P43-Y82 HydrophobicContact CG-CE1 3.74Å; P43-Y82 HydrophobicContact CG-CE2 3.99Å; P43-Y82 VanDerWaalsContact CG-CZ 3.4Å; P43-Y82 VanDerWaalsContact CG-OH 3.29Å; P43-Y82 WeakPolarHBondContact CG-OH 3.3Å; Y45-Y82 WeakPolarHBondContact OH-CE2 3.33Å; Y46-Y82 HydrophobicContact CE2-CD1 4.11Å; Y46-Y82 AromaticContact CE2-CD2 3.7Å; Y46-Y82 HydrophobicContact CE2-CD2 3.7Å; Y46-Y82 HydrophobicContact CE2-CE2 4.27Å; Y46-Y82 AromaticContact CE2-CG 3.6Å; Y46-Y82 HydrophobicContact CE2-CG 3.6Å; F50-Y82 AromaticContact CE2-CD1 3.7Å; F50-Y82 HydrophobicContact CE2-CD1 3.7Å; F50-Y82 AromaticContact CE2-CE1 3.98Å; F50-Y82 HydrophobicContact CE2-CE1 3.98Å; F50-Y82 HydrophobicContact CZ-CD1 4.24Å; F50-Y82 HydrophobicContact CZ-CE1 4.1Å; R73-Y82 CarbonylContact O-C 3.37Å; R73-Y82 WeakPolarHBondContact O-CA 3.44Å; E74-Y82 HydrophobicContact CB-CD1 4.31Å; E74-Y82 HydrophobicContact CB-CE1 4.49Å; E74-Y82 HydrophobicContact CG-CD1 4.39Å; E74-Y82 HydrophobicContact CG-CE1 4.31Å; Y82-L97 PolarHBondContact O-N 3.14Å
83T97.4Very high94.7Very high16 Ų1655.7 Ų55.710%0.09829%0.291CS..EExtended strand (participates in β ladder)trans-128.3129-179.1-59.50000109.7I72 R73 N94 F95I72-T83 WeakPolarHBondContact CA-O 3.5Å; R73-T83 PolarHBondContact N-O 2.72Å; R73-T83 PolarHBondContact O-N 3.36Å; T83-N94 HydrophobicContact CG2-CB 3.88Å; T83-F95 CarbonylContact C-O 3.48Å; T83-F95 WeakPolarHBondContact CA-O 3.38Å
84L98.3Very high94.7Very high3 Ų358.1 Ų58.12%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-79.4117.816417564.3000108.4Y70 I72 N94 F95 L97 L116 V117Y70-L84 HydrophobicContact CD2-CD1 3.85Å; Y70-L84 HydrophobicContact CG-CD1 4.38Å; I72-L84 HydrophobicContact CG1-CD1 4.45Å; L84-N94 CarbonylContact O-C 3.54Å; L84-N94 WeakPolarHBondContact O-CA 3.47Å; L84-F95 HydrophobicContact CB-CB 4.35Å; L84-F95 HydrophobicContact CD2-CD2 4.41Å; L84-F95 PolarHBondContact N-O 3.22Å; L84-F95 PolarHBondContact O-N 2.98Å; L84-L97 HydrophobicContact CB-CD1 3.76Å; L84-L97 HydrophobicContact CB-CD2 4.04Å; L84-L97 HydrophobicContact CB-CG 3.73Å; L84-L116 HydrophobicContact CD2-CD2 3.58Å; L84-V117 HydrophobicContact CD1-CG2 3.92Å; L84-V117 HydrophobicContact CD2-CG2 3.96Å
85A98.3Very high94.8Very high0 Ų059.2 Ų59.20%031%0.309CS..EExtended strand (participates in β ladder)trans-100.3123.1168.400000108.3A59 L63 Y70 L71 T92A59-A85 HydrophobicContact CB-CB 4.48Å; L63-A85 HydrophobicContact CD1-CB 3.66Å; Y70-A85 VanDerWaalsContact CA-O 3.25Å; Y70-A85 WeakPolarHBondContact CA-O 3.43Å; L71-A85 HydrophobicContact CD1-CB 3.98Å; L71-A85 HydrophobicContact CG-CB 4.37Å; L71-A85 PolarHBondContact N-O 2.89Å; L71-A85 PolarHBondContact O-N 3.42Å; A85-T92 HydrophobicContact CB-CG2 4.05Å
86L98.4Very high95Very high3 Ų363.2 Ų63.22%0.01632%0.321CS..EExtended strand (participates in β ladder)trans-130.3129-173.7173.765.4000110.4T92 R93 F95 V117 L121 L124L86-T92 CarbonylContact O-C 3.48Å; L86-T92 WeakPolarHBondContact O-CA 3.49Å; L86-R93 PolarHBondContact N-O 3.39Å; L86-R93 PolarHBondContact O-N 3.45Å; L86-F95 HydrophobicContact CB-CE2 4.35Å; L86-F95 HydrophobicContact CD2-CE2 4.31Å; L86-V117 HydrophobicContact CD1-CG1 3.89Å; L86-L121 HydrophobicContact CD1-CD1 4.26Å; L86-L121 HydrophobicContact CD1-CD2 3.91Å; L86-L121 HydrophobicContact CD1-CG 4.14Å; L86-L121 HydrophobicContact CD2-CD2 3.84Å; L86-L121 HydrophobicContact CD2-CG 4.06Å; L86-L121 HydrophobicContact CG-CD2 4.16Å; L86-L124 HydrophobicContact CD2-CD1 3.8Å
87R98.1Very high95.3Very high42 Ų4258.1 Ų58.116%0.15830%0.297CS..EExtended strand (participates in β ladder)trans-81.6116.8174.4-168.568174.5175.70.2110.3L63 G68 S69 S90L63-R87 HydrophobicContact CB-CB 4.28Å; G68-R87 PolarHBondContact N-O 3.15Å; S69-R87 PolarHBondContact O-N 2.86Å; R87-S90 PolarHBondContact NH1-O 3.4Å; R87-S90 PolarHBondContact NH2-O 3.13Å
88F97.6Very high95.7Very high11 Ų1152.2 Ų52.25%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-150.2134.1174.1-177.5-91.9000111.4P28 E67 Q91 L121 L124 Y125P28-F88 HydrophobicContact CG-CD2 4.32Å; P28-F88 HydrophobicContact CG-CE2 4.25Å; E67-F88 WeakPolarHBondContact OE1-CA 3.21Å; F88-Q91 PolarHBondContact N-O 3.06Å; F88-Q91 PolarHBondContact O-N 3.24Å; F88-L121 HydrophobicContact CB-CD2 4.47Å; F88-L121 HydrophobicContact CD2-CD2 3.89Å; F88-L124 HydrophobicContact CB-CD1 4.07Å; F88-L124 HydrophobicContact CD1-CB 3.96Å; F88-L124 HydrophobicContact CD1-CD1 4.29Å; F88-L124 HydrophobicContact CD2-CB 4.04Å; F88-L124 HydrophobicContact CD2-CD1 4.43Å; F88-L124 HydrophobicContact CE1-CB 3.87Å; F88-L124 HydrophobicContact CE2-CB 3.94Å; F88-L124 HydrophobicContact CG-CB 4.05Å; F88-L124 HydrophobicContact CG-CD1 3.99Å; F88-L124 HydrophobicContact CZ-CB 3.88Å; F88-Y125 HydrophobicContact CE2-CD2 4.17Å; F88-Y125 HydrophobicContact CZ-CD2 4.42Å
89G94.3Very high96Very high42 Ų4252.2 Ų52.243%0.43327%0.272SS..THydrogen-bonded Turntrans63.639.6-178.700000112.5E67 Q91E67-G89 PolarHBondContact OE1-N 3.09Å; E67-G89 PolarHBondContact OE2-N 3Å; G89-Q91 PolarHBondContact O-N 3.39Å; G89-Q91 VanDerWaalsContact O-N 3.08Å
90S92.3Very high96.3Very high91 Ų9152.2 Ų52.264%0.63627%0.267SS*.THydrogen-bonded Turntrans57.222.9-174.9-61.20000114R87R87-S90 PolarHBondContact NH1-O 3.4Å; R87-S90 PolarHBondContact NH2-O 3.13Å
91Q95.1Very high96.6Very high133 Ų13352.3 Ų52.362%0.62127%0.268SS*.EExtended strand (participates in β ladder)trans-136.3154.6176.5-63.9-175.918.900110.7F88 G89F88-Q91 PolarHBondContact N-O 3.06Å; F88-Q91 PolarHBondContact O-N 3.24Å; G89-Q91 PolarHBondContact O-N 3.39Å; G89-Q91 VanDerWaalsContact O-N 3.08Å
92T97.3Very high96.8Very high25 Ų2555.7 Ų55.715%0.15328%0.281CS..EExtended strand (participates in β ladder)trans-93.9115.7175.6-55.40000110.2D60 L63 A85 L86D60-T92 WeakPolarHBondContact OD1-CB 3.35Å; D60-T92 VanDerWaalsContact OD1-CG2 3.3Å; D60-T92 WeakPolarHBondContact OD1-CG2 3.36Å; D60-T92 PolarHBondContact OD1-OG1 3.18Å; L63-T92 HydrophobicContact CD1-CG2 3.55Å; A85-T92 HydrophobicContact CB-CG2 4.05Å; L86-T92 CarbonylContact O-C 3.48Å; L86-T92 WeakPolarHBondContact O-CA 3.49Å
93R96.9Very high96.8Very high101 Ų10154.6 Ų54.638%0.38128%0.277SS..EExtended strand (participates in β ladder)trans-92.3134.8172.5-61.1-165.4178-155.13109.8L86 F95L86-R93 PolarHBondContact N-O 3.39Å; L86-R93 PolarHBondContact O-N 3.45Å; R93-F95 HydrophobicContact CB-CD2 4.44Å; R93-F95 HydrophobicContact CB-CE2 3.51Å; R93-F95 HydrophobicContact CB-CZ 3.76Å
94N96.6Very high96.8Very high59 Ų5955.2 Ų55.232%0.31628%0.279SS..EExtended strand (participates in β ladder)trans-113.8122.5-177.3-73.3-92.6000109.5R73 T83 L84R73-N94 PolarHBondContact NH2-OD1 3.05Å; T83-N94 HydrophobicContact CG2-CB 3.88Å; L84-N94 CarbonylContact O-C 3.54Å; L84-N94 WeakPolarHBondContact O-CA 3.47Å
95F97.1Very high96.7Very high65 Ų6557.9 Ų57.929%0.28530%0.295SS..EExtended strand (participates in β ladder)trans-120.3129.9-180-55.5-87.2000110.2T83 L84 L86 R93 L97 V105 L124T83-F95 CarbonylContact C-O 3.48Å; T83-F95 WeakPolarHBondContact CA-O 3.38Å; L84-F95 HydrophobicContact CB-CB 4.35Å; L84-F95 HydrophobicContact CD2-CD2 4.41Å; L84-F95 PolarHBondContact N-O 3.22Å; L84-F95 PolarHBondContact O-N 2.98Å; L86-F95 HydrophobicContact CB-CE2 4.35Å; L86-F95 HydrophobicContact CD2-CE2 4.31Å; R93-F95 HydrophobicContact CB-CD2 4.44Å; R93-F95 HydrophobicContact CB-CE2 3.51Å; R93-F95 HydrophobicContact CB-CZ 3.76Å; F95-L97 PolarHBondContact O-N 3.23Å; F95-V105 HydrophobicContact CB-CB 4.28Å; F95-V105 HydrophobicContact CB-CG1 3.71Å; F95-L124 HydrophobicContact CZ-CD1 4.33Å
96R96.9Very high96.4Very high105 Ų10560 Ų6040%0.39632%0.317SS..EExtended strand (participates in β ladder)trans-67.9125.8173.9-176.2166.9-179.2156.316.8109.1T81 Y98T81-R96 HydrophobicContact CG2-CG 4.09Å; T81-R96 PolarHBondContact OG1-NH2 3.04Å; R96-Y98 HydrophobicContact CB-CE2 4.29Å; R96-Y98 VanDerWaalsContact CD-OH 3.23Å; R96-Y98 WeakPolarHBondContact CD-OH 3.48Å; R96-Y98 HydrophobicContact CG-CE1 4.29Å; R96-Y98 HydrophobicContact CG-CE2 3.93Å; R96-Y98 PolarHBondContact NE-OH 2.85Å
97L97.1Very high96.1Very high7 Ų767 Ų674%0.03735%0.35CS..EExtended strand (participates in β ladder)trans-94.7141.3178.3-77.4173.5000110.8Y46 I72 Y82 L84 F95 V105 I113 L116Y46-L97 HydrophobicContact CE1-CD1 4.35Å; I72-L97 HydrophobicContact CB-CD1 4.47Å; I72-L97 HydrophobicContact CD1-CD1 3.69Å; I72-L97 HydrophobicContact CG1-CD1 3.8Å; I72-L97 HydrophobicContact CG2-CD1 3.91Å; Y82-L97 PolarHBondContact O-N 3.14Å; L84-L97 HydrophobicContact CB-CD1 3.76Å; L84-L97 HydrophobicContact CB-CD2 4.04Å; L84-L97 HydrophobicContact CB-CG 3.73Å; F95-L97 PolarHBondContact O-N 3.23Å; L97-V105 HydrophobicContact CD2-CG1 3.68Å; L97-I113 HydrophobicContact CD1-CD1 4.25Å; L97-I113 HydrophobicContact CD2-CD1 4.22Å; L97-L116 HydrophobicContact CD2-CD1 3.95Å; L97-L116 HydrophobicContact CD2-CD2 4.48Å
98Y97.3Very high96Very high101 Ų10167.5 Ų67.540%0.39635%0.353SS..EExtended strand (participates in β ladder)trans-126.5157.2172.4-58.2-84.7000110.2R96 F104R96-Y98 HydrophobicContact CB-CE2 4.29Å; R96-Y98 VanDerWaalsContact CD-OH 3.23Å; R96-Y98 WeakPolarHBondContact CD-OH 3.48Å; R96-Y98 HydrophobicContact CG-CE1 4.29Å; R96-Y98 HydrophobicContact CG-CE2 3.93Å; R96-Y98 PolarHBondContact NE-OH 2.85Å; Y98-F104 HydrophobicContact CD2-CD2 4.16Å; Y98-F104 AromaticContact CD2-CE2 3.94Å; Y98-F104 HydrophobicContact CD2-CE2 3.94Å; Y98-F104 HydrophobicContact CG-CD2 4.36Å; Y98-F104 AromaticContact CG-CE2 3.83Å; Y98-F104 HydrophobicContact CG-CE2 3.83Å; Y98-F104 HydrophobicContact CG-CZ 4.04Å; Y98-F104 PolarHBondContact N-O 2.93Å; Y98-F104 PolarHBondContact O-N 3.3Å; Y98-F104 VanDerWaalsContact O-N 3.14Å
99Y97.3Very high95.9Very high96 Ų9671.4 Ų71.438%0.37637%0.367SS..EExtended strand (participates in β ladder)trans-145.8125179.9-175.4-100.8000110.8Y45 G101 K102 H103Y45-Y99 AromaticContact CD1-CD1 3.68Å; Y45-Y99 HydrophobicContact CD1-CD1 3.68Å; Y45-Y99 AromaticContact CD1-CE1 3.59Å; Y45-Y99 HydrophobicContact CD1-CE1 3.59Å; Y45-Y99 HydrophobicContact CD1-CG 4.3Å; Y45-Y99 HydrophobicContact CD2-CD1 4.19Å; Y45-Y99 HydrophobicContact CD2-CD2 4.14Å; Y45-Y99 HydrophobicContact CD2-CE2 4.48Å; Y45-Y99 AromaticContact CD2-CG 3.97Å; Y45-Y99 HydrophobicContact CD2-CG 3.97Å; Y45-Y99 AromaticContact CE1-CD1 3.81Å; Y45-Y99 HydrophobicContact CE1-CD1 3.81Å; Y45-Y99 HydrophobicContact CE1-CE1 4.15Å; Y45-Y99 HydrophobicContact CE1-CG 4.44Å; Y45-Y99 HydrophobicContact CE2-CD1 4.29Å; Y45-Y99 HydrophobicContact CE2-CG 4.1Å; Y45-Y99 AromaticContact CG-CD1 3.87Å; Y45-Y99 HydrophobicContact CG-CD1 3.87Å; Y45-Y99 HydrophobicContact CG-CD2 4.21Å; Y45-Y99 AromaticContact CG-CE1 3.8Å; Y45-Y99 HydrophobicContact CG-CE1 3.8Å; Y45-Y99 HydrophobicContact CG-CE2 4.14Å; Y45-Y99 HydrophobicContact CG-CG 4.07Å; Y45-Y99 AromaticContact CG-CZ 3.93Å; Y99-G101 PolarHBondContact OH-O 3.41Å; Y99-K102 WeakPolarHBondContact CA-O 3.41Å; Y99-K102 WeakPolarHBondContact CD2-O 3.33Å; Y99-H103 AromaticContact CD2-CE1 3.6Å; Y99-H103 AromaticContact CD2-ND1 3.54Å; Y99-H103 AromaticContact CE2-CE1 3.69Å; Y99-H103 AromaticContact CE2-NE2 3.86Å
100D96.1Very high96.1Very high97 Ų9769.8 Ų69.852%0.51935%0.348SS..SBendtrans-134.136.2174.567.5-14.8000111.9K102 F104 R109D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact N-O 3.03Å; D100-F104 HydrophobicContact CB-CE1 4.32Å; D100-F104 WeakPolarHBondContact OD1-CE1 3.31Å; D100-R109 IonicContact OD1-CZ 2.67Å; D100-R109 IonicContact OD1-NH1 3.19Å; D100-R109 PolarHBondContact OD1-NH1 3.43Å; D100-R109 IonicContact OD2-CZ 2.77Å; D100-R109 IonicContact OD2-NH1 3.1Å; D100-R109 PolarHBondContact OD2-NH1 2.83Å; D100-R109 IonicContact OD2-NH2 2.95Å
101G96.4Very high96.2Very high48 Ų4873 Ų7350%0.49535%0.353SS..SBendtrans98.1-21.9-166.300000112.4Y99Y99-G101 PolarHBondContact OH-O 3.41Å
102K97.1Very high96.4Very high88 Ų8868.4 Ų68.438%0.38334%0.336SS..SBendtrans-126.7154.2169.6-69.1-167.4176.1-163.80110.9Y99 D100 R109 F110Y99-K102 WeakPolarHBondContact CA-O 3.41Å; Y99-K102 WeakPolarHBondContact CD2-O 3.33Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact N-O 3.03Å; K102-R109 HydrophobicContact CB-CB 3.98Å; K102-R109 HydrophobicContact CD-CB 3.87Å; K102-F110 CarbonylContact C-O 3.59Å; K102-F110 WeakPolarHBondContact CA-O 3.42Å; K102-F110 WeakPolarHBondContact CB-O 3.2Å
103H97.8Very high96.4Very high13 Ų1367.6 Ų67.66%0.0633%0.331CS..EExtended strand (participates in β ladder)trans-86.4138.7177.9-58.8-77.5000111.2Y45 Y46 Y99 F110 I113 L116Y45-H103 PolarHBondContact O-CE1 3.23Å; Y45-H103 VanDerWaalsContact O-CE1 3.25Å; Y46-H103 AromaticContact CE1-CE1 4Å; Y46-H103 AromaticContact CE1-ND1 3.89Å; Y99-H103 AromaticContact CD2-CE1 3.6Å; Y99-H103 AromaticContact CD2-ND1 3.54Å; Y99-H103 AromaticContact CE2-CE1 3.69Å; Y99-H103 AromaticContact CE2-NE2 3.86Å; H103-F110 PolarHBondContact N-O 3.02Å; H103-F110 WeakPolarHBondContact O-CD2 3.41Å; H103-F110 PolarHBondContact O-N 3.28Å; H103-I113 HydrophobicContact CB-CD1 3.81Å; H103-I113 WeakPolarHBondContact ND1-CD1 3.31Å; H103-L116 HydrophobicContact CB-CD1 3.97Å
104F97.8Very high96.4Very high29 Ų2967.2 Ų67.213%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-158.7155.217663.4-79.1000114.6Y98 D100 G106 K108 R109Y98-F104 HydrophobicContact CD2-CD2 4.16Å; Y98-F104 AromaticContact CD2-CE2 3.94Å; Y98-F104 HydrophobicContact CD2-CE2 3.94Å; Y98-F104 HydrophobicContact CG-CD2 4.36Å; Y98-F104 AromaticContact CG-CE2 3.83Å; Y98-F104 HydrophobicContact CG-CE2 3.83Å; Y98-F104 HydrophobicContact CG-CZ 4.04Å; Y98-F104 PolarHBondContact N-O 2.93Å; Y98-F104 PolarHBondContact O-N 3.3Å; Y98-F104 VanDerWaalsContact O-N 3.14Å; D100-F104 HydrophobicContact CB-CE1 4.32Å; D100-F104 WeakPolarHBondContact OD1-CE1 3.31Å; F104-G106 WeakPolarHBondContact CD2-O 3.3Å; F104-K108 WeakPolarHBondContact CB-O 3.02Å; F104-R109 VanDerWaalsContact CG-NE 3.35Å
105V95.4Very high96.5Very high60 Ų6066.8 Ų66.836%0.36433%0.331SS..SBendtrans-116.4-12.6169.8-64.90000112.6F95 L97 L116F95-V105 HydrophobicContact CB-CB 4.28Å; F95-V105 HydrophobicContact CB-CG1 3.71Å; L97-V105 HydrophobicContact CD2-CG1 3.68Å; V105-L116 HydrophobicContact CG1-CD1 4.27Å; V105-L116 HydrophobicContact CG1-CD2 4.1Å
106G92.8Very high96.5Very high44 Ų4464 Ų6445%0.45432%0.318SS..SBendtrans-155.6-136.3-175.800000111.4F104F104-G106 WeakPolarHBondContact CD2-O 3.3Å
107E91.5Very high96.6Very high150 Ų15059 Ų5970%0.70130%0.3SS*.SBendtrans-71.2-38.2-178.7-63.1-178.7-177.300113.1K245E107-K245 VanDerWaalsContact CD-NZ 3.3Å; E107-K245 IonicContact OE1-NZ 2.89Å; E107-K245 PolarHBondContact OE1-NZ 3.04Å; E107-K245 VanDerWaalsContact OE1-NZ 3.1Å; E107-K245 IonicContact OE2-NZ 3.62Å; E107-K245 PolarHBondContact OE2-NZ 2.75Å
108K94.9Very high96.6Very high53 Ų5359.9 Ų59.923%0.2331%0.306CS..  trans-74.8137.5-174.6-63.2-174.4-177.6-176.10111.8F104 F110 D119 I230 A231F104-K108 WeakPolarHBondContact CB-O 3.02Å; K108-F110 HydrophobicContact CB-CD2 4.43Å; K108-F110 HydrophobicContact CB-CE2 3.5Å; K108-F110 HydrophobicContact CB-CZ 3.66Å; K108-F110 HydrophobicContact CD-CZ 3.94Å; K108-F110 HydrophobicContact CG-CZ 4.49Å; K108-D119 VanDerWaalsContact CD-OD2 3.28Å; K108-D119 WeakPolarHBondContact CD-OD2 3.39Å; K108-D119 VanDerWaalsContact NZ-CG 3.26Å; K108-D119 IonicContact NZ-OD1 3.7Å; K108-D119 PolarHBondContact NZ-OD1 3.21Å; K108-D119 IonicContact NZ-OD2 3.42Å; K108-D119 PolarHBondContact NZ-OD2 2.99Å; K108-I230 HydrophobicContact CB-CD1 4.31Å; K108-I230 HydrophobicContact CB-CG1 4.45Å; K108-I230 HydrophobicContact CD-CG1 4.21Å; K108-I230 VanDerWaalsContact CE-O 3.28Å; K108-I230 WeakPolarHBondContact CE-O 3.41Å; K108-I230 PolarHBondContact NZ-O 2.54Å; K108-A231 HydrophobicContact CD-CB 4.38Å; K108-A231 HydrophobicContact CG-CB 4.15Å
109R96.5Very high96.7Very high93 Ų9355.5 Ų55.535%0.35129%0.289SS..  trans-116.7124.2-178-55.4-50.4-173.775.1-3.3111.3D100 K102 F104 I230D100-R109 IonicContact OD1-CZ 2.67Å; D100-R109 IonicContact OD1-NH1 3.19Å; D100-R109 PolarHBondContact OD1-NH1 3.43Å; D100-R109 IonicContact OD2-CZ 2.77Å; D100-R109 IonicContact OD2-NH1 3.1Å; D100-R109 PolarHBondContact OD2-NH1 2.83Å; D100-R109 IonicContact OD2-NH2 2.95Å; K102-R109 HydrophobicContact CB-CB 3.98Å; K102-R109 HydrophobicContact CD-CB 3.87Å; F104-R109 VanDerWaalsContact CG-NE 3.35Å; R109-I230 WeakPolarHBondContact O-CD1 3.47Å
110F97.3Very high96.7Very high7 Ų752.1 Ų52.13%0.03128%0.283CS..BIsolated β-bridgetrans-114.9146.9-171.1-59.3-91.9000112.1K102 H103 K108 D115 L116 D119 I230K102-F110 CarbonylContact C-O 3.59Å; K102-F110 WeakPolarHBondContact CA-O 3.42Å; K102-F110 WeakPolarHBondContact CB-O 3.2Å; H103-F110 PolarHBondContact N-O 3.02Å; H103-F110 WeakPolarHBondContact O-CD2 3.41Å; H103-F110 PolarHBondContact O-N 3.28Å; K108-F110 HydrophobicContact CB-CD2 4.43Å; K108-F110 HydrophobicContact CB-CE2 3.5Å; K108-F110 HydrophobicContact CB-CZ 3.66Å; K108-F110 HydrophobicContact CD-CZ 3.94Å; K108-F110 HydrophobicContact CG-CZ 4.49Å; F110-D115 HydrophobicContact CB-CB 4.35Å; F110-D115 HydrophobicContact CD1-CB 3.87Å; F110-L116 HydrophobicContact CB-CB 4.02Å; F110-L116 HydrophobicContact CD1-CB 4.34Å; F110-L116 HydrophobicContact CD2-CB 3.67Å; F110-L116 HydrophobicContact CD2-CD1 4.02Å; F110-L116 HydrophobicContact CD2-CG 3.8Å; F110-L116 HydrophobicContact CE2-CB 4.19Å; F110-L116 HydrophobicContact CE2-CG 4.05Å; F110-L116 HydrophobicContact CG-CB 3.75Å; F110-L116 HydrophobicContact CG-CG 4.4Å; F110-D119 HydrophobicContact CE1-CB 3.54Å; F110-D119 HydrophobicContact CZ-CB 3.65Å; F110-I230 HydrophobicContact CD1-CD1 3.49Å; F110-I230 VanDerWaalsContact CD1-CD1 3.49Å; F110-I230 HydrophobicContact CD1-CG1 4.05Å; F110-I230 HydrophobicContact CD2-CD1 4.43Å; F110-I230 HydrophobicContact CE1-CD1 3.44Å; F110-I230 VanDerWaalsContact CE1-CD1 3.44Å; F110-I230 HydrophobicContact CE1-CG1 3.52Å; F110-I230 HydrophobicContact CE2-CD1 4.38Å; F110-I230 HydrophobicContact CG-CD1 4.02Å; F110-I230 HydrophobicContact CZ-CD1 3.91Å; F110-I230 HydrophobicContact CZ-CG1 3.99Å
111E96.1Very high96.8Very high158 Ų15847.5 Ų47.574%0.73826%0.258SS*.SBendtrans-75.9-29.3176.8-64.1-176.1175.700111.8
112S97.4Very high96.9Very high38 Ų3846 Ų4627%0.26624%0.239SC..SBendtrans-131.9155.5177.678.70000112.3H114 D115 L116S112-H114 PolarHBondContact O-N 2.67Å; S112-H114 PolarHBondContact OG-N 3.11Å; S112-D115 PolarHBondContact O-N 3.06Å; S112-D115 PolarHBondContact OG-N 3.41Å; S112-D115 PolarHBondContact OG-OD2 3.13Å; S112-L116 PolarHBondContact O-N 2.83Å
113I97.9Very high96.8Very high7 Ų743.2 Ų43.24%0.03623%0.229CC..Hα-helixtrans-62.3-35.3169.6-70.2-67.1000111Y46 E49 Y70 I72 L97 H103 D115 L116 V117Y46-I113 HydrophobicContact CD1-CD1 4.39Å; Y46-I113 HydrophobicContact CD1-CG1 4.18Å; Y46-I113 HydrophobicContact CE1-CD1 3.97Å; Y46-I113 HydrophobicContact CE1-CG1 4.26Å; E49-I113 HydrophobicContact CG-CG2 4.49Å; Y70-I113 HydrophobicContact CD2-CG2 4.41Å; Y70-I113 HydrophobicContact CE2-CG2 3.71Å; I72-I113 HydrophobicContact CD1-CD1 3.83Å; I72-I113 HydrophobicContact CD1-CG1 3.88Å; I72-I113 HydrophobicContact CD1-CG2 4.07Å; L97-I113 HydrophobicContact CD1-CD1 4.25Å; L97-I113 HydrophobicContact CD2-CD1 4.22Å; H103-I113 HydrophobicContact CB-CD1 3.81Å; H103-I113 WeakPolarHBondContact ND1-CD1 3.31Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 3.27Å; I113-L116 WeakPolarHBondContact O-CB 3.49Å; I113-L116 PolarHBondContact O-N 3.35Å; I113-V117 HydrophobicContact CG2-CG2 4.12Å; I113-V117 VanDerWaalsContact O-CG2 3.28Å; I113-V117 WeakPolarHBondContact O-CG2 3.45Å; I113-V117 PolarHBondContact O-N 3.26Å
114H97.8Very high96.8Very high94 Ų9443.3 Ų43.344%0.43523%0.23SC..Hα-helixtrans-58.3-48.5177.9-17880000110.9S112 L116 V117 T118S112-H114 PolarHBondContact O-N 2.67Å; S112-H114 PolarHBondContact OG-N 3.11Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.47Å; H114-V117 PolarHBondContact O-N 3.27Å; H114-T118 PolarHBondContact O-N 3.11Å; H114-T118 PolarHBondContact O-OG1 3.39Å
115D97.5Very high96.8Very high49 Ų4943.6 Ų43.626%0.26223%0.231SC..Hα-helixtrans-62.8-39.9178.8-61.6-36.8000112.6F110 S112 I113 V117 T118 D119 L229F110-D115 HydrophobicContact CB-CB 4.35Å; F110-D115 HydrophobicContact CD1-CB 3.87Å; S112-D115 PolarHBondContact O-N 3.06Å; S112-D115 PolarHBondContact OG-N 3.41Å; S112-D115 PolarHBondContact OG-OD2 3.13Å; I113-D115 VanDerWaalsContact C-N 3.35Å; I113-D115 PolarHBondContact O-N 3.27Å; D115-V117 VanDerWaalsContact C-N 3.34Å; D115-T118 PolarHBondContact O-N 3.19Å; D115-D119 PolarHBondContact O-N 3.09Å; D115-L229 HydrophobicContact CB-CD2 3.62Å
116L98.2Very high96.9Very high6 Ų640.8 Ų40.83%0.03121%0.213CC..Hα-helixtrans-60-45.9174.9-177.2160.2000111L84 L97 H103 V105 F110 S112 I113 H114 G120L84-L116 HydrophobicContact CD2-CD2 3.58Å; L97-L116 HydrophobicContact CD2-CD1 3.95Å; L97-L116 HydrophobicContact CD2-CD2 4.48Å; H103-L116 HydrophobicContact CB-CD1 3.97Å; V105-L116 HydrophobicContact CG1-CD1 4.27Å; V105-L116 HydrophobicContact CG1-CD2 4.1Å; F110-L116 HydrophobicContact CB-CB 4.02Å; F110-L116 HydrophobicContact CD1-CB 4.34Å; F110-L116 HydrophobicContact CD2-CB 3.67Å; F110-L116 HydrophobicContact CD2-CD1 4.02Å; F110-L116 HydrophobicContact CD2-CG 3.8Å; F110-L116 HydrophobicContact CE2-CB 4.19Å; F110-L116 HydrophobicContact CE2-CG 4.05Å; F110-L116 HydrophobicContact CG-CB 3.75Å; F110-L116 HydrophobicContact CG-CG 4.4Å; S112-L116 PolarHBondContact O-N 2.83Å; I113-L116 WeakPolarHBondContact O-CB 3.49Å; I113-L116 PolarHBondContact O-N 3.35Å; H114-L116 VanDerWaalsContact C-N 3.34Å; H114-L116 PolarHBondContact O-N 3.47Å; L116-G120 PolarHBondContact O-N 3.46Å
117V98.2Very high97.1Very high1 Ų143.7 Ų43.71%0.00622%0.215CC..Hα-helixtrans-69-38.8179.2178.90000111P30 Y70 L84 L86 I113 H114 D115 G120 L121P30-V117 HydrophobicContact CB-CB 4.14Å; P30-V117 HydrophobicContact CB-CG1 3.69Å; P30-V117 HydrophobicContact CG-CB 4.19Å; P30-V117 HydrophobicContact CG-CG1 3.95Å; Y70-V117 HydrophobicContact CD1-CB 4.42Å; Y70-V117 HydrophobicContact CD1-CG1 3.78Å; Y70-V117 HydrophobicContact CD1-CG2 4.27Å; Y70-V117 HydrophobicContact CD2-CG2 3.78Å; Y70-V117 HydrophobicContact CE1-CB 4.5Å; Y70-V117 HydrophobicContact CE1-CG1 4.21Å; Y70-V117 HydrophobicContact CE1-CG2 4.44Å; Y70-V117 HydrophobicContact CE2-CG2 3.98Å; Y70-V117 HydrophobicContact CG-CG1 4.01Å; Y70-V117 HydrophobicContact CG-CG2 3.93Å; L84-V117 HydrophobicContact CD1-CG2 3.92Å; L84-V117 HydrophobicContact CD2-CG2 3.96Å; L86-V117 HydrophobicContact CD1-CG1 3.89Å; I113-V117 HydrophobicContact CG2-CG2 4.12Å; I113-V117 VanDerWaalsContact O-CG2 3.28Å; I113-V117 WeakPolarHBondContact O-CG2 3.45Å; I113-V117 PolarHBondContact O-N 3.26Å; H114-V117 PolarHBondContact O-N 3.27Å; D115-V117 VanDerWaalsContact C-N 3.34Å; V117-G120 PolarHBondContact O-N 3.29Å; V117-L121 HydrophobicContact CG1-CD1 3.88Å; V117-L121 HydrophobicContact CG1-CG 4.28Å; V117-L121 WeakPolarHBondContact O-CB 3.46Å; V117-L121 WeakPolarHBondContact O-CG 3.48Å; V117-L121 PolarHBondContact O-N 2.99Å
118T98.1Very high97.3Very high26 Ų2640.4 Ų40.416%0.1621%0.206CC..Hα-helixtrans-58.3-53.7174.9-59.20000110.8P30 H114 D115 G120 L121 I122 L229P30-T118 WeakPolarHBondContact CG-OG1 3.3Å; H114-T118 PolarHBondContact O-N 3.11Å; H114-T118 PolarHBondContact O-OG1 3.39Å; D115-T118 PolarHBondContact O-N 3.19Å; T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 2.87Å; T118-L121 PolarHBondContact O-N 3.25Å; T118-I122 HydrophobicContact CG2-CD1 3.98Å; T118-I122 VanDerWaalsContact O-CG1 3.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.44Å; T118-I122 PolarHBondContact O-N 3.46Å; T118-L229 HydrophobicContact CG2-CD2 4.43Å
119D97.8Very high97.3Very high9 Ų943.1 Ų43.15%0.04822%0.218CC..Hα-helixtrans-63.2-37.5178.7-170.485000112K108 F110 D115 T123 G228 L229K108-D119 VanDerWaalsContact CD-OD2 3.28Å; K108-D119 WeakPolarHBondContact CD-OD2 3.39Å; K108-D119 VanDerWaalsContact NZ-CG 3.26Å; K108-D119 IonicContact NZ-OD1 3.7Å; K108-D119 PolarHBondContact NZ-OD1 3.21Å; K108-D119 IonicContact NZ-OD2 3.42Å; K108-D119 PolarHBondContact NZ-OD2 2.99Å; F110-D119 HydrophobicContact CE1-CB 3.54Å; F110-D119 HydrophobicContact CZ-CB 3.65Å; D115-D119 PolarHBondContact O-N 3.09Å; D119-T123 WeakPolarHBondContact O-CB 3.39Å; D119-T123 PolarHBondContact O-N 3.38Å; D119-T123 PolarHBondContact O-OG1 3.45Å; D119-G228 WeakPolarHBondContact OD1-CA 3.36Å; D119-L229 HydrophobicContact CB-CB 4.06Å; D119-L229 PolarHBondContact OD1-N 3.09Å
120G97.6Very high97.3Very high24 Ų2438.8 Ų38.825%0.24720%0.202CC..Hα-helixtrans-62.1-46.6175.500000112.8L116 V117 T118 T123 L124L116-G120 PolarHBondContact O-N 3.46Å; V117-G120 PolarHBondContact O-N 3.29Å; T118-G120 VanDerWaalsContact C-N 3.3Å; T118-G120 PolarHBondContact O-N 2.87Å; G120-T123 PolarHBondContact O-N 3.32Å; G120-L124 WeakPolarHBondContact O-CB 3.09Å; G120-L124 WeakPolarHBondContact O-CG 3.04Å; G120-L124 PolarHBondContact O-N 3.44Å
121L98.2Very high97.3Very high0 Ų041.2 Ų41.20%022%0.223CC..Hα-helixtrans-66.5-41.9178.1-77.3169.9000112.3P28 P30 L86 F88 V117 T118 T123 L124 Y125P28-L121 HydrophobicContact CG-CB 4.46Å; P28-L121 HydrophobicContact CG-CD2 4.05Å; P28-L121 WeakPolarHBondContact O-CB 3.4Å; P28-L121 WeakPolarHBondContact O-CD1 3.4Å; P30-L121 HydrophobicContact CG-CD1 4.31Å; L86-L121 HydrophobicContact CD1-CD1 4.26Å; L86-L121 HydrophobicContact CD1-CD2 3.91Å; L86-L121 HydrophobicContact CD1-CG 4.14Å; L86-L121 HydrophobicContact CD2-CD2 3.84Å; L86-L121 HydrophobicContact CD2-CG 4.06Å; L86-L121 HydrophobicContact CG-CD2 4.16Å; F88-L121 HydrophobicContact CB-CD2 4.47Å; F88-L121 HydrophobicContact CD2-CD2 3.89Å; V117-L121 HydrophobicContact CG1-CD1 3.88Å; V117-L121 HydrophobicContact CG1-CG 4.28Å; V117-L121 WeakPolarHBondContact O-CB 3.46Å; V117-L121 WeakPolarHBondContact O-CG 3.48Å; V117-L121 PolarHBondContact O-N 2.99Å; T118-L121 PolarHBondContact O-N 3.25Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.47Å; L121-L124 PolarHBondContact O-N 3.35Å; L121-Y125 VanDerWaalsContact O-CB 3.25Å; L121-Y125 WeakPolarHBondContact O-CB 3.2Å; L121-Y125 PolarHBondContact O-N 2.97Å
122I98.1Very high97.2Very high16 Ų1640.6 Ų40.68%0.08222%0.22CC..Hα-helixtrans-57.5-49.6173-69167000110.2Q24 A27 T118 Y125 I126 W227Q24-I122 HydrophobicContact CB-CG2 4.49Å; Q24-I122 HydrophobicContact CG-CD1 4.05Å; Q24-I122 HydrophobicContact CG-CG1 4.17Å; Q24-I122 HydrophobicContact CG-CG2 3.87Å; A27-I122 HydrophobicContact CB-CG1 4.05Å; T118-I122 HydrophobicContact CG2-CD1 3.98Å; T118-I122 VanDerWaalsContact O-CG1 3.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.44Å; T118-I122 PolarHBondContact O-N 3.46Å; I122-Y125 PolarHBondContact O-N 2.92Å; I122-I126 HydrophobicContact CG2-CD1 3.74Å; I122-I126 WeakPolarHBondContact O-CB 3.48Å; I122-I126 WeakPolarHBondContact O-CG1 3.31Å; I122-I126 PolarHBondContact O-N 3.4Å; I122-W227 HydrophobicContact CG2-CB 4.47Å
123T96.8Very high97.1Very high30 Ų3042.3 Ų42.318%0.18422%0.221CC..Hα-helixtrans-60.7-49.5-179.6-590000110.9D119 G120 L121 Y125 E127D119-T123 WeakPolarHBondContact O-CB 3.39Å; D119-T123 PolarHBondContact O-N 3.38Å; D119-T123 PolarHBondContact O-OG1 3.45Å; G120-T123 PolarHBondContact O-N 3.32Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-T123 PolarHBondContact O-N 3.47Å; T123-Y125 VanDerWaalsContact C-N 3.35Å; T123-Y125 PolarHBondContact O-N 3.13Å; T123-E127 HydrophobicContact CG2-CG 4.24Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.39Å; T123-E127 VanDerWaalsContact O-CB 3.27Å; T123-E127 WeakPolarHBondContact O-CB 3.31Å; T123-E127 VanDerWaalsContact O-CG 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.5Å; T123-E127 PolarHBondContact O-N 3.14Å
124L97Very high96.9Very high16 Ų1642.8 Ų42.88%0.08422%0.223CC..Hα-helixtrans-58.9-44.7178.1-73.7171000112.1L86 F88 F95 G120 L121 T128L86-L124 HydrophobicContact CD2-CD1 3.8Å; F88-L124 HydrophobicContact CB-CD1 4.07Å; F88-L124 HydrophobicContact CD1-CB 3.96Å; F88-L124 HydrophobicContact CD1-CD1 4.29Å; F88-L124 HydrophobicContact CD2-CB 4.04Å; F88-L124 HydrophobicContact CD2-CD1 4.43Å; F88-L124 HydrophobicContact CE1-CB 3.87Å; F88-L124 HydrophobicContact CE2-CB 3.94Å; F88-L124 HydrophobicContact CG-CB 4.05Å; F88-L124 HydrophobicContact CG-CD1 3.99Å; F88-L124 HydrophobicContact CZ-CB 3.88Å; F95-L124 HydrophobicContact CZ-CD1 4.33Å; G120-L124 WeakPolarHBondContact O-CB 3.09Å; G120-L124 WeakPolarHBondContact O-CG 3.04Å; G120-L124 PolarHBondContact O-N 3.44Å; L121-L124 PolarHBondContact O-N 3.35Å; L124-T128 WeakPolarHBondContact O-CB 3.44Å; L124-T128 PolarHBondContact O-N 2.75Å; L124-T128 PolarHBondContact O-OG1 2.81Å
125Y98Very high96.8Very high35 Ų3541.9 Ų41.914%0.13723%0.233CC..Hα-helixtrans-65.3-50.9-178-170.3-100.5000112.2L23 E26 A27 F88 L121 I122 T123 T128 K129L23-Y125 HydrophobicContact CB-CD1 4.43Å; L23-Y125 HydrophobicContact CB-CE1 4.34Å; L23-Y125 HydrophobicContact CD2-CE1 4.08Å; L23-Y125 WeakPolarHBondContact O-CD1 3.47Å; L23-Y125 VanDerWaalsContact O-CE1 3.25Å; L23-Y125 WeakPolarHBondContact O-CE1 3.24Å; E26-Y125 HydrophobicContact CB-CE1 3.64Å; E26-Y125 WeakPolarHBondContact CB-OH 3.43Å; E26-Y125 PolarHBondContact OE2-OH 3.01Å; A27-Y125 HydrophobicContact CB-CD1 3.96Å; A27-Y125 HydrophobicContact CB-CG 4.05Å; F88-Y125 HydrophobicContact CE2-CD2 4.17Å; F88-Y125 HydrophobicContact CZ-CD2 4.42Å; L121-Y125 VanDerWaalsContact O-CB 3.25Å; L121-Y125 WeakPolarHBondContact O-CB 3.2Å; L121-Y125 PolarHBondContact O-N 2.97Å; I122-Y125 PolarHBondContact O-N 2.92Å; T123-Y125 VanDerWaalsContact C-N 3.35Å; T123-Y125 PolarHBondContact O-N 3.13Å; Y125-T128 PolarHBondContact O-N 3.34Å; Y125-K129 HydrophobicContact CD1-CD 4.48Å; Y125-K129 HydrophobicContact CE1-CD 3.8Å; Y125-K129 HydrophobicContact CE2-CD 4.12Å; Y125-K129 VanDerWaalsContact CZ-CE 3.46Å; Y125-K129 PolarHBondContact O-N 3.04Å; Y125-K129 WeakPolarHBondContact OH-CE 3.43Å; Y125-K129 PolarHBondContact OH-NZ 3.07Å
126I97.3Very high96.6Very high0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-65.7-48.1-178.9-69.5176.2000111L20 L23 Q24 I122 T128 K129 A130 I134 W227L20-I126 HydrophobicContact CD2-CG2 4.01Å; L23-I126 HydrophobicContact CB-CG1 3.85Å; Q24-I126 HydrophobicContact CB-CD1 4.05Å; I122-I126 HydrophobicContact CG2-CD1 3.74Å; I122-I126 WeakPolarHBondContact O-CB 3.48Å; I122-I126 WeakPolarHBondContact O-CG1 3.31Å; I122-I126 PolarHBondContact O-N 3.4Å; I126-T128 VanDerWaalsContact C-N 3.26Å; I126-T128 PolarHBondContact O-N 3.05Å; I126-K129 PolarHBondContact O-N 3.22Å; I126-A130 WeakPolarHBondContact O-CA 3.27Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 3.32Å; I126-I134 HydrophobicContact CG2-CD1 3.78Å; I126-W227 HydrophobicContact CD1-CB 3.43Å; I126-W227 VanDerWaalsContact CD1-CB 3.43Å; I126-W227 HydrophobicContact CD1-CD2 4.36Å; I126-W227 HydrophobicContact CD1-CG 3.54Å; I126-W227 HydrophobicContact CG2-CD2 4.21Å; I126-W227 HydrophobicContact CG2-CG 4.39Å
127E96Very high96.4Very high105 Ų10545.2 Ų45.249%0.49124%0.244SC..Hα-helixtrans-64.8-31.5179.8-70.1-177.6174.300112.1T123 A131T123-E127 HydrophobicContact CG2-CG 4.24Å; T123-E127 WeakPolarHBondContact CG2-OE1 3.39Å; T123-E127 VanDerWaalsContact O-CB 3.27Å; T123-E127 WeakPolarHBondContact O-CB 3.31Å; T123-E127 VanDerWaalsContact O-CG 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.5Å; T123-E127 PolarHBondContact O-N 3.14Å; E127-A131 VanDerWaalsContact O-CB 3.31Å; E127-A131 WeakPolarHBondContact O-CB 3.39Å; E127-A131 PolarHBondContact O-N 2.92Å
128T96.3Very high96Very high82 Ų8246.9 Ų46.950%0.50326%0.255SS..Hα-helixtrans-73.4-45176.7-58.10000111.9L124 Y125 I126L124-T128 WeakPolarHBondContact O-CB 3.44Å; L124-T128 PolarHBondContact O-N 2.75Å; L124-T128 PolarHBondContact O-OG1 2.81Å; Y125-T128 PolarHBondContact O-N 3.34Å; I126-T128 VanDerWaalsContact C-N 3.26Å; I126-T128 PolarHBondContact O-N 3.05Å
129K96.2Very high95.5Very high110 Ų11050.6 Ų50.648%0.47827%0.273SS..Hα-helixtrans-79.8-32.1-176.5-79.6-163.1167.1-165.70113.9L23 E26 Y125 I126L23-K129 HydrophobicContact CD1-CB 4.28Å; L23-K129 HydrophobicContact CD2-CB 4.24Å; L23-K129 HydrophobicContact CD2-CD 3.74Å; E26-K129 IonicContact OE2-NZ 3.77Å; E26-K129 PolarHBondContact OE2-NZ 3.28Å; Y125-K129 HydrophobicContact CD1-CD 4.48Å; Y125-K129 HydrophobicContact CE1-CD 3.8Å; Y125-K129 HydrophobicContact CE2-CD 4.12Å; Y125-K129 VanDerWaalsContact CZ-CE 3.46Å; Y125-K129 PolarHBondContact O-N 3.04Å; Y125-K129 WeakPolarHBondContact OH-CE 3.43Å; Y125-K129 PolarHBondContact OH-NZ 3.07Å; I126-K129 PolarHBondContact O-N 3.22Å
130A96.1Very high94.8Very high2 Ų256.7 Ų56.72%0.01731%0.305CS..Hα-helixtrans-120.820.4-16900000113.8Y19 L20 L23 I126 E132 Y133 I134Y19-A130 HydrophobicContact CE1-CB 3.66Å; L20-A130 HydrophobicContact CD2-CB 3.87Å; L23-A130 HydrophobicContact CD1-CB 3.62Å; I126-A130 WeakPolarHBondContact O-CA 3.27Å; I126-A130 WeakPolarHBondContact O-CB 3.45Å; I126-A130 PolarHBondContact O-N 3.32Å; A130-E132 PolarHBondContact O-N 3.15Å; A130-Y133 WeakPolarHBondContact O-CB 3.24Å; A130-Y133 PolarHBondContact O-N 3.32Å; A130-Y133 VanDerWaalsContact O-N 3.07Å; A130-I134 HydrophobicContact CB-CD1 4.15Å; A130-I134 HydrophobicContact CB-CG1 4.32Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 3.48Å
131A95.7Very high94.4Very high57 Ų5757.2 Ų57.247%0.47130%0.304SS..Hα-helixtrans-48-53.2-178.500000113.1E127 Y133 I134 A135E127-A131 VanDerWaalsContact O-CB 3.31Å; E127-A131 WeakPolarHBondContact O-CB 3.39Å; E127-A131 PolarHBondContact O-N 2.92Å; A131-Y133 VanDerWaalsContact C-N 3.34Å; A131-Y133 PolarHBondContact O-N 3Å; A131-I134 PolarHBondContact O-N 3.36Å; A131-A135 PolarHBondContact O-N 2.81Å
132E94.9Very high93.8Very high145 Ų14558.4 Ų58.468%0.67831%0.311SS*.Hα-helixtrans-65.9-37.8-179.5-66.3-168.8-169.300112.7A130 A135 K136A130-E132 PolarHBondContact O-N 3.15Å; E132-A135 PolarHBondContact O-N 2.92Å; E132-K136 WeakPolarHBondContact O-CG 3.35Å; E132-K136 PolarHBondContact O-N 2.95Å; E132-K136 IonicContact OE2-NZ 3.59Å
133Y94.6Very high93.2Very high74 Ų7458.5 Ų58.529%0.2931%0.31SS..Hα-helixtrans-65.2-46.2178.3-179.6-89000111Y19 L20 A130 A131 A135 K136 M137 N224Y19-Y133 AromaticContact CD1-CD1 3.72Å; Y19-Y133 HydrophobicContact CD1-CD1 3.72Å; Y19-Y133 HydrophobicContact CD1-CD2 4Å; Y19-Y133 AromaticContact CD1-CE1 3.82Å; Y19-Y133 HydrophobicContact CD1-CE1 3.82Å; Y19-Y133 HydrophobicContact CD1-CE2 4.09Å; Y19-Y133 AromaticContact CD1-CG 3.81Å; Y19-Y133 HydrophobicContact CD1-CG 3.81Å; Y19-Y133 AromaticContact CD1-CZ 4Å; Y19-Y133 HydrophobicContact CE1-CD1 4.06Å; Y19-Y133 HydrophobicContact CE1-CD2 4.19Å; Y19-Y133 AromaticContact CE1-CG 3.83Å; Y19-Y133 HydrophobicContact CE1-CG 3.83Å; L20-Y133 HydrophobicContact CD2-CD1 4.07Å; L20-Y133 HydrophobicContact CD2-CE1 4.29Å; L20-Y133 HydrophobicContact CG-CD1 4.44Å; L20-Y133 HydrophobicContact CG-CE1 4.18Å; A130-Y133 WeakPolarHBondContact O-CB 3.24Å; A130-Y133 PolarHBondContact O-N 3.32Å; A130-Y133 VanDerWaalsContact O-N 3.07Å; A131-Y133 VanDerWaalsContact C-N 3.34Å; A131-Y133 PolarHBondContact O-N 3Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 PolarHBondContact O-N 3.43Å; Y133-K136 CarbonylContact O-C 3.6Å; Y133-K136 PolarHBondContact O-N 3.46Å; Y133-M137 PolarHBondContact O-N 2.82Å; Y133-N224 VanDerWaalsContact CE1-OD1 3.31Å; Y133-N224 WeakPolarHBondContact CE1-OD1 3.48Å; Y133-N224 PolarHBondContact OH-OD1 3.01Å
134I95.5Very high92.2Very high17 Ų1763.4 Ų63.49%0.08733%0.331CS..Hα-helixtrans-60.9-42.6176.8-69.3163.3000110.3L20 I126 A130 A131 K136 M137 W227L20-I134 HydrophobicContact CD1-CG1 4.46Å; L20-I134 HydrophobicContact CD2-CG1 4.24Å; I126-I134 HydrophobicContact CG2-CD1 3.78Å; A130-I134 HydrophobicContact CB-CD1 4.15Å; A130-I134 HydrophobicContact CB-CG1 4.32Å; A130-I134 WeakPolarHBondContact O-CG1 3.4Å; A130-I134 PolarHBondContact O-N 3.48Å; A131-I134 PolarHBondContact O-N 3.36Å; I134-K136 PolarHBondContact O-N 3.28Å; I134-M137 HydrophobicContact CG2-CE 3.79Å; I134-M137 HydrophobicContact CG2-SD 4.2Å; I134-M137 WeakPolarHBondContact O-CG 3.34Å; I134-M137 PolarHBondContact O-N 3.46Å; I134-W227 HydrophobicContact CD1-CH2 4.17Å; I134-W227 HydrophobicContact CD1-CZ2 4.36Å; I134-W227 HydrophobicContact CG1-CH2 4.36Å; I134-W227 HydrophobicContact CG2-CH2 4.24Å
135A93.9Very high90.9Very high76 Ų7669.7 Ų69.763%0.62836%0.36SS*.Hα-helixtrans-61.2-28.5176.800000112.9A131 E132 Y133A131-A135 PolarHBondContact O-N 2.81Å; E132-A135 PolarHBondContact O-N 2.92Å; Y133-A135 VanDerWaalsContact C-N 3.32Å; Y133-A135 PolarHBondContact O-N 3.43Å
136K93.9Very high89.5Confident118 Ų11870.4 Ų70.451%0.51337%0.365SS..Hα-helixtrans-97-3.8-178.8-66.5170.8-174.7165.80113.6E132 Y133 I134 T138 I139E132-K136 WeakPolarHBondContact O-CG 3.35Å; E132-K136 PolarHBondContact O-N 2.95Å; E132-K136 IonicContact OE2-NZ 3.59Å; Y133-K136 CarbonylContact O-C 3.6Å; Y133-K136 PolarHBondContact O-N 3.46Å; I134-K136 PolarHBondContact O-N 3.28Å; K136-T138 PolarHBondContact O-N 3.34Å; K136-T138 VanDerWaalsContact O-N 3.1Å; K136-I139 HydrophobicContact CB-CD1 3.9Å; K136-I139 HydrophobicContact CG-CD1 3.91Å; K136-I139 VanDerWaalsContact O-CB 3.3Å; K136-I139 WeakPolarHBondContact O-CB 3.39Å; K136-I139 WeakPolarHBondContact O-CG1 3.31Å; K136-I139 PolarHBondContact O-N 2.95Å
137M93.2Very high87.7Confident6 Ų671.6 Ų71.63%0.0338%0.377CS..THydrogen-bonded Turntrans-63.4-23.2-172.175.6-173.5156.500113.9Y133 I134 I139 C222 Q246Y133-M137 PolarHBondContact O-N 2.82Å; I134-M137 HydrophobicContact CG2-CE 3.79Å; I134-M137 HydrophobicContact CG2-SD 4.2Å; I134-M137 WeakPolarHBondContact O-CG 3.34Å; I134-M137 PolarHBondContact O-N 3.46Å; M137-I139 VanDerWaalsContact C-N 3.34Å; M137-C222 WeakPolarHBondContact O-CB 3.46Å; M137-Q246 HydrophobicContact CE-CB 4.47Å
138T90.1Very high85.9Confident37 Ų3767.7 Ų67.723%0.22736%0.358CS..THydrogen-bonded Turntrans-85.7-6.7178.456.80000113.4K136 Y221K136-T138 PolarHBondContact O-N 3.34Å; K136-T138 VanDerWaalsContact O-N 3.1Å; T138-Y221 HydrophobicContact CG2-CE1 4.25Å
139I87.6Confident83.9Confident103 Ų10365.1 Ų65.153%0.52834%0.342SS..SBendtrans-78.7126.1175-54.3175.4000107.2K136 M137K136-I139 HydrophobicContact CB-CD1 3.9Å; K136-I139 HydrophobicContact CG-CD1 3.91Å; K136-I139 VanDerWaalsContact O-CB 3.3Å; K136-I139 WeakPolarHBondContact O-CB 3.39Å; K136-I139 WeakPolarHBondContact O-CG1 3.31Å; K136-I139 PolarHBondContact O-N 2.95Å; M137-I139 VanDerWaalsContact C-N 3.34Å
140N84.3Confident81.9Confident137 Ų13762.4 Ų62.473%0.73334%0.335SS*.SBendtrans59.968.4-174-53.4-29.4000112.9
141P87.9Confident79.7Confident36 Ų3665.8 Ų65.823%0.23435%0.352CS..  trans-67.2153.6176.832.2-36.1000111.4Y221P141-Y221 CarbonylContact C-O 3.02Å; P141-Y221 WeakPolarHBondContact CA-O 3.31Å; P141-Y221 HydrophobicContact CB-CD1 4.07Å; P141-Y221 HydrophobicContact CB-CD2 4.21Å; P141-Y221 HydrophobicContact CB-CE1 3.63Å; P141-Y221 HydrophobicContact CB-CE2 3.8Å; P141-Y221 HydrophobicContact CB-CG 4.33Å; P141-Y221 VanDerWaalsContact CB-CZ 3.46Å; P141-Y221 WeakPolarHBondContact CB-O 3.36Å; P141-Y221 HydrophobicContact CG-CE1 4.43Å; P141-Y221 HydrophobicContact CG-CE2 4.24Å
142I86.6Confident77.2Confident25 Ų2566.9 Ų66.913%0.12835%0.35CS..SBendtrans-86.9-12.7173.656.9153.7000112.6V15 W16 E144 H145 I146 Y221 A223V15-I142 HydrophobicContact CG1-CD1 4.27Å; W16-I142 HydrophobicContact CH2-CD1 4.21Å; W16-I142 HydrophobicContact CZ3-CD1 3.9Å; I142-E144 VanDerWaalsContact C-N 3.26Å; I142-E144 PolarHBondContact O-N 3.02Å; I142-E144 VanDerWaalsContact O-N 3.15Å; I142-H145 CarbonylContact O-C 3.55Å; I142-H145 PolarHBondContact O-N 2.97Å; I142-I146 HydrophobicContact CB-CB 4.46Å; I142-I146 HydrophobicContact CB-CD1 3.63Å; I142-I146 HydrophobicContact CB-CG1 3.92Å; I142-I146 HydrophobicContact CD1-CB 4.32Å; I142-I146 HydrophobicContact CD1-CD1 3.65Å; I142-I146 HydrophobicContact CD1-CG1 4.33Å; I142-I146 HydrophobicContact CD1-CG2 4.41Å; I142-I146 HydrophobicContact CG1-CD1 4.19Å; I142-I146 HydrophobicContact CG2-CD1 4.07Å; I142-I146 WeakPolarHBondContact O-CB 3.45Å; I142-I146 WeakPolarHBondContact O-CG1 3.4Å; I142-I146 PolarHBondContact O-N 3.01Å; I142-Y221 WeakPolarHBondContact CG1-O 3.34Å; I142-Y221 PolarHBondContact N-O 2.86Å; I142-A223 HydrophobicContact CB-CB 4.41Å; I142-A223 HydrophobicContact CD1-CB 3.32Å; I142-A223 HydrophobicContact CG1-CB 3.74Å; I142-A223 HydrophobicContact CG2-CB 3.85Å
143Y85Confident74.7Confident17 Ų1769.6 Ų69.67%0.06735%0.354CS..THydrogen-bonded Turntrans-52.9-41-169.7-170.7-103.2000113.7H145 Y221 L241 V251 P252 D254Y143-H145 PolarHBondContact O-N 3.19Å; Y143-Y221 HydrophobicContact CD2-CD2 4.43Å; Y143-Y221 HydrophobicContact CG-CD2 4.05Å; Y143-Y221 PolarHBondContact N-O 3.34Å; Y143-L241 HydrophobicContact CE2-CD1 3.97Å; Y143-L241 HydrophobicContact CE2-CD2 3.78Å; Y143-V251 HydrophobicContact CE1-CG1 4.25Å; Y143-V251 HydrophobicContact CE2-CG1 4.16Å; Y143-P252 HydrophobicContact CD1-CG 4.25Å; Y143-P252 HydrophobicContact CE1-CG 4.16Å; Y143-D254 WeakPolarHBondContact CE1-OD2 3.21Å; Y143-D254 PolarHBondContact OH-OD1 2.94Å; Y143-D254 PolarHBondContact OH-OD2 3.09Å
144E75.6Confident71.6Confident133 Ų13374.4 Ų74.462%0.62138%0.379SS*.THydrogen-bonded Turntrans-73.5-14.5-178.7-62.9-172.6173.100113.6I142 T150I142-E144 VanDerWaalsContact C-N 3.26Å; I142-E144 PolarHBondContact O-N 3.02Å; I142-E144 VanDerWaalsContact O-N 3.15Å; E144-T150 WeakPolarHBondContact O-CG2 3.43Å
145H70.8Confident68.6Low149 Ų14978.6 Ų78.669%0.6941%0.408SS*.THydrogen-bonded Turntrans-112.4-10.2-176.5-57.8-54.6000112.8I142 Y143I142-H145 CarbonylContact O-C 3.55Å; I142-H145 PolarHBondContact O-N 2.97Å; Y143-H145 PolarHBondContact O-N 3.19Å
146I67.7Low65.8Low50 Ų5079.1 Ų79.126%0.25641%0.412SS..SBendtrans-127126.7-169.9-59.4-160.6000111V15 I142V15-I146 HydrophobicContact CB-CD1 4.22Å; V15-I146 HydrophobicContact CG1-CD1 3.2Å; V15-I146 HydrophobicContact CG2-CD1 3.98Å; I142-I146 HydrophobicContact CB-CB 4.46Å; I142-I146 HydrophobicContact CB-CD1 3.63Å; I142-I146 HydrophobicContact CB-CG1 3.92Å; I142-I146 HydrophobicContact CD1-CB 4.32Å; I142-I146 HydrophobicContact CD1-CD1 3.65Å; I142-I146 HydrophobicContact CD1-CG1 4.33Å; I142-I146 HydrophobicContact CD1-CG2 4.41Å; I142-I146 HydrophobicContact CG1-CD1 4.19Å; I142-I146 HydrophobicContact CG2-CD1 4.07Å; I142-I146 WeakPolarHBondContact O-CB 3.45Å; I142-I146 WeakPolarHBondContact O-CG1 3.4Å; I142-I146 PolarHBondContact O-N 3.01Å
147G60.5Low62.9Low24 Ų2483.5 Ų83.525%0.24743%0.427CS..SBendtrans116.3174.2169.300000114.5T149 T150G147-T149 PolarHBondContact O-N 3.39Å; G147-T149 VanDerWaalsContact O-N 3.09Å; G147-T150 PolarHBondContact O-N 2.87Å; G147-T150 PolarHBondContact O-OG1 2.69Å
148Y57.8Low59.9Low24 Ų2492.4 Ų92.49%0.09447%0.465CS..Hα-helixtrans-67.1-10.2-174.6-49.6-75000114.2N152 L259 V262 K264 M317 D320Y148-N152 WeakPolarHBondContact O-CB 3.36Å; Y148-N152 VanDerWaalsContact O-CG 3.31Å; Y148-N152 PolarHBondContact O-N 3.22Å; Y148-L259 HydrophobicContact CD2-CD2 4.2Å; Y148-L259 HydrophobicContact CG-CD2 4.28Å; Y148-V262 HydrophobicContact CE1-CG1 4.47Å; Y148-V262 HydrophobicContact CE2-CG1 3.94Å; Y148-K264 HydrophobicContact CE2-CD 4.13Å; Y148-K264 HydrophobicContact CE2-CG 4.09Å; Y148-M317 HydrophobicContact CD1-CE 4.3Å; Y148-M317 HydrophobicContact CD1-CG 4.18Å; Y148-M317 HydrophobicContact CE1-CG 4.16Å; Y148-D320 HydrophobicContact CE1-CB 4.01Å; Y148-D320 WeakPolarHBondContact OH-CB 3.37Å; Y148-D320 PolarHBondContact OH-OD2 2.91Å
149T53.9Low57Low27 Ų2799.5 Ų99.517%0.16649%0.493CS..Hα-helixtrans-71.2-3218048.60000112.4G147 K256 L259G147-T149 PolarHBondContact O-N 3.39Å; G147-T149 VanDerWaalsContact O-N 3.09Å; T149-K256 HydrophobicContact CG2-CD 4.45Å; T149-L259 HydrophobicContact CG2-CD1 4.16Å
150T54.4Low54.1Low53 Ų53103.3 Ų103.333%0.32551%0.508SS..Hα-helixtrans-81.7-37174.353.10000112.1E144 G147E144-T150 WeakPolarHBondContact O-CG2 3.43Å; G147-T150 PolarHBondContact O-N 2.87Å; G147-T150 PolarHBondContact O-OG1 2.69Å
151L49.4Very low51.2Low74 Ų74104.3 Ų104.339%0.38751%0.51SS..Hα-helixtrans-82.1-27.7-176.9-63.5169.4000114.2R153 M317L151-R153 PolarHBondContact O-N 3.37Å; L151-M317 HydrophobicContact CB-CE 4.21Å; L151-M317 HydrophobicContact CB-SD 3.57Å; L151-M317 VanDerWaalsContact CB-SD 3.57Å; L151-M317 HydrophobicContact CD1-CG 4.18Å; L151-M317 HydrophobicContact CD1-SD 3.73Å; L151-M317 HydrophobicContact CG-SD 4.19Å
152N43.5Very low48.3Very low80 Ų80107.4 Ų107.443%0.42853%0.531SS..THydrogen-bonded Turntrans-79.813170.9-71.4-12.6000113Y148 E154 M317Y148-N152 WeakPolarHBondContact O-CB 3.36Å; Y148-N152 VanDerWaalsContact O-CG 3.31Å; Y148-N152 PolarHBondContact O-N 3.22Å; N152-E154 PolarHBondContact O-N 3.42Å; N152-E154 VanDerWaalsContact O-N 3.11Å; N152-M317 VanDerWaalsContact OD1-CE 3.31Å; N152-M317 WeakPolarHBondContact OD1-CE 3.42Å
153R41.5Very low45.5Very low202 Ų202113 Ų11376%0.76257%0.566SS**SBendtrans-70.5102.7159.1-75-176.4176.21781.2105.3L151L151-R153 PolarHBondContact O-N 3.37Å
154E30.8Very low42.7Very low174 Ų174119.5 Ų119.581%0.81360%0.601SS**  trans-41.5133.5176.6-71.5-177.1151.300110N152 A156N152-E154 PolarHBondContact O-N 3.42Å; N152-E154 VanDerWaalsContact O-N 3.11Å; E154-A156 VanDerWaalsContact C-N 3.31Å; E154-A156 PolarHBondContact O-N 3.47Å
155P32.9Very low40.4Very low106 Ų106122.3 Ų122.369%0.68861%0.611SS**  trans-62.3102.7166.524.6-29.5000106.8Y157P155-Y157 PolarHBondContact O-N 3.07Å
156A33.8Very low38.2Very low87 Ų87124.5 Ų124.572%0.71962%0.621SS**SBendtrans-53.6119.5166.400000106.9E154E154-A156 VanDerWaalsContact C-N 3.31Å; E154-A156 PolarHBondContact O-N 3.47Å
157Y32.9Very low36.2Very low209 Ų209128.4 Ų128.482%0.8265%0.648SS**  trans8575.3179.6-62.3-92000117.9P155P155-Y157 PolarHBondContact O-N 3.07Å
158K31.6Very low34.6Very low193 Ų193135.9 Ų135.984%0.83968%0.676SS**  trans-113.780.1132.9-78.2-173.7179.8176.90109.8
159K28Very low33.1Very low187 Ų187142.7 Ų142.781%0.81371%0.714SS**  trans-95.1101.7153.9-87.1-173.3178.1178.10107.4M161K159-M161 PolarHBondContact O-N 3.01Å
160H27.1Very low31.8Very low182 Ų182148.9 Ų148.984%0.84374%0.741SS**  trans-52.7115.7153.9-94.4-82.4000107.9
161M24.2Very low30.5Very low158 Ų158156.7 Ų156.778%0.77876%0.764SS**  trans-76.5132.7158.3-79.7-134.275.800108.1K159K159-M161 PolarHBondContact O-N 3.01Å
162P26.8Very low29.4Very low101 Ų101160 Ų16066%0.65678%0.783SS**  trans-67.9132.7164.3-3.618.9000108.6L164P162-L164 PolarHBondContact O-N 2.86Å
163V27Very low28.5Very low143 Ų143160.9 Ų160.987%0.86780%0.795SS**  trans-62.5104.9167.1176.70000107.8
164L25.7Very low27.8Very low154 Ų154158.3 Ų158.381%0.80680%0.802SS**  trans-81.3120.6165.4-87.6158.4000107.9P162 E166P162-L164 PolarHBondContact O-N 2.86Å; L164-E166 PolarHBondContact O-N 3.38Å
165K27.7Very low27.6Very low192 Ų192153.9 Ų153.984%0.83580%0.803SS**  trans-60.6120.7170.2-74.4174.1172.1177.80109T167K165-T167 PolarHBondContact O-N 3.26Å
166E25Very low27.3Very low194 Ų194157.8 Ų157.891%0.90781%0.813SS**  trans-78.9112.6165.5-72.3-175162.300109.1L164L164-E166 PolarHBondContact O-N 3.38Å
167T25.9Very low27Very low132 Ų132161.6 Ų161.681%0.8182%0.821SS**  trans-86.8129.3159.242.70000108.6K165K165-T167 PolarHBondContact O-N 3.26Å
168H27.4Very low26.7Very low182 Ų182154.8 Ų154.884%0.84381%0.814SS**  trans-50.6139.4168.8-79-87.7000112.8
169D25.5Very low26.5Very low166 Ų166152.2 Ų152.289%0.88881%0.814SS**  -161.3143.3129-116.9-23.8000112.7
170E26.2Very low26.4Very low157 Ų157148.4 Ų148.473%0.73481%0.811SS**  trans-81.6150-176.3-61.3174.914500113
171R27.6Very low26.7Very low217 Ų217148.8 Ų148.882%0.81981%0.813SS**  160.9124.6114.5-87.4178.5-152.9-174.87.7115.1
172D25.4Very low27.1Very low144 Ų144150.5 Ų150.577%0.7782%0.816SS**  trans58.2117.3132.1-78-22.7000124.6
173S26.2Very low27.6Very low99 Ų99157.4 Ų157.469%0.69283%0.829SS**  118.2119.6107.3620000121.1
174T25.4Very low27.8Very low147 Ų147158.2 Ų158.290%0.90283%0.828SS**  trans77.7126.8139.154.70000123
175G27.4Very low28.4Very low82 Ų82155.8 Ų155.885%0.84582%0.819SS**  trans153.295.9155.600000114.3
176Q26.3Very low29Very low188 Ų188152 Ų15288%0.87982%0.817SS**  trans-76.7144170.4-76.7174.2-17.600111.3
177D27.6Very low29.7Very low166 Ų166149.2 Ų149.289%0.88881%0.808SS**  -168.7130.9125.9-96.6-25.1000110.4
178G26.6Very low30.5Very low66 Ų66148.7 Ų148.768%0.6880%0.804SS**  trans-88.7161-178.900000113.2
179V26.8Very low30.8Very low139 Ų139151.6 Ų151.684%0.84281%0.808SS**  171.6126.1129.9158.20000110.4
180S27.4Very low31.4Very low107 Ų107154.8 Ų154.875%0.74881%0.808SS**  trans66.892.8152.2-63.90000122K182S180-K182 PolarHBondContact O-N 3.21Å
181E32.2Very low32Very low191 Ų191151.3 Ų151.389%0.89381%0.805SS**  trans-12.9109.2131.9-133174.5-174.300116.3
182K32.9Very low32.4Very low193 Ų193146.6 Ų146.684%0.83980%0.801SS**  trans-141.8100.7143.6-82.5-165.7-179.5173.20110.4S180 L184S180-K182 PolarHBondContact O-N 3.21Å; K182-L184 PolarHBondContact O-N 2.98Å; K182-L184 VanDerWaalsContact O-N 3.14Å
183R37.4Very low33Very low246 Ų246147.8 Ų147.893%0.92881%0.806SS**  trans-58.3101.2166-151.3177.6-165.5-174.14108.8
184L32Very low33.4Very low161 Ų161152.5 Ų152.584%0.84381%0.814SS**  trans-102.4121.4167.1-98.5146.5000108.5K182K182-L184 PolarHBondContact O-N 2.98Å; K182-L184 VanDerWaalsContact O-N 3.14Å
185T36.6Very low34.3Very low102 Ų102155 Ų15563%0.62682%0.816SS**  trans-65.7155.5-169.744.50000112.9L187T185-L187 PolarHBondContact O-N 3.26Å
186S41.2Very low34.9Very low113 Ų113157 Ų15779%0.7981%0.807SS**THydrogen-bonded Turntrans-60.331.4-175.648.80000117.2
187L40.2Very low35.6Very low136 Ų136156.4 Ų156.471%0.71281%0.805SS**THydrogen-bonded Turntrans-112.9-1.1-171.5-83.2158.6000115.9T185T185-L187 PolarHBondContact O-N 3.26Å
188V42Very low36.6Very low120 Ų120157 Ų15773%0.72780%0.802SS**SBendtrans-115.2-6.7-177.3-172.10000114.1
189R33.9Very low37.7Very low243 Ų243160.1 Ų160.192%0.91780%0.802SS**THydrogen-bonded Turntrans-86.3-0.8171.6-96.7-176.8178.5172.4-0114.8
190R38.9Very low38.8Very low234 Ų234159.1 Ų159.188%0.88380%0.798SS**THydrogen-bonded Turntrans-94.82.2177.9-88.3-176.7175167.6-1.5114.7
191A37.1Very low40.6Very low83 Ų83163.4 Ų163.469%0.68680%0.803SS**SBendtrans-108.28.1-172.700000115.4
192T37.1Very low42.8Very low118 Ų118160.3 Ų160.372%0.72478%0.784SS**  trans-141.338.1-175.935.90000114.4
193L37.4Very low45.4Very low170 Ų170158.1 Ų158.189%0.8978%0.777SS**  trans-102.985.6151-70.6171.3000106.8E195L193-E195 PolarHBondContact O-N 3.43Å
194K36Very low47.9Very low198 Ų198149.3 Ų149.386%0.86175%0.745SS**  trans-52.6124.8164.1-80.4178.8171.5-179.70107.3N196K194-N196 PolarHBondContact O-N 2.84Å
195E42.5Very low50.9Low198 Ų198147.4 Ų147.493%0.92573%0.734SS**  trans-44101.9160.4-66.6172.1143.500108.7L193L193-E195 PolarHBondContact O-N 3.43Å
196N40.7Very low53.6Low126 Ų126143.4 Ų143.467%0.67471%0.709SS**  trans-155.574.4166-14829.1000110.7K194K194-N196 PolarHBondContact O-N 2.84Å
197E40.8Very low56.3Low175 Ų175141.3 Ų141.382%0.81869%0.689SS**  trans-135.998.2141.3-74-166.415700106.8I199E197-I199 PolarHBondContact O-N 3.19Å
198Q49.6Very low59Low177 Ų177137 Ų13783%0.82766%0.664SS**  trans-62.981.5160.3-91139-11.500108.3P200Q198-P200 WeakPolarHBondContact O-CD 3.49Å
199I48.6Very low61.7Low133 Ų133137.2 Ų137.268%0.68266%0.655SS**  trans-61.6120.7157-56.1172.5000104.7E197 K201E197-I199 PolarHBondContact O-N 3.19Å; I199-K201 PolarHBondContact O-N 2.84Å
200P49.7Very low64.7Low117 Ų117130.1 Ų130.176%0.7664%0.639SS**  trans-54.6114173.3-19.329.8000107.2Q198 Y202Q198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-Y202 PolarHBondContact O-N 3.47Å
201K65.4Low67.4Low198 Ų198122 Ų12286%0.86161%0.611SS**  trans-61.5109.3174-80.7-176.4177.7179.40105.9I199 E203I199-K201 PolarHBondContact O-N 2.84Å; K201-E203 PolarHBondContact O-N 3.25Å
202Y79.8Confident70.3Confident126 Ų126121.3 Ų121.349%0.49460%0.598SS.*  trans-55112.7174.2174.1-95.5000108P200 K204 C255 K256P200-Y202 PolarHBondContact O-N 3.47Å; Y202-K204 HydrophobicContact CE1-CB 3.87Å; Y202-K204 WeakPolarHBondContact OH-CD 3.37Å; Y202-C255 WeakPolarHBondContact CE1-O 3.45Å; Y202-C255 PolarHBondContact OH-O 2.81Å; Y202-K256 HydrophobicContact CE1-CG 4.16Å
203E87.4Confident73Confident146 Ų146116.2 Ų116.268%0.68257%0.566SS**  trans-120.4112-179.9-166.7176.6179.600108.8K201 N253K201-E203 PolarHBondContact O-N 3.25Å; E203-N253 CarbonylContact C-O 3.57Å; E203-N253 VanDerWaalsContact CA-O 3.31Å; E203-N253 WeakPolarHBondContact CA-O 3.35Å; E203-N253 HydrophobicContact CG-CB 3.57Å; E203-N253 PolarHBondContact OE1-ND2 2.89Å
204K89.5Confident75.6Confident62 Ų62118.8 Ų118.827%0.2756%0.564SS.*BIsolated β-bridgetrans-135.8120.6173.9-172.3-176.9176.3-166.90109.7Y202 D238 N253 D254 C255 P257Y202-K204 HydrophobicContact CE1-CB 3.87Å; Y202-K204 WeakPolarHBondContact OH-CD 3.37Å; K204-D238 WeakPolarHBondContact CE-OD2 3.44Å; K204-D238 IonicContact NZ-OD2 3.78Å; K204-D238 PolarHBondContact NZ-OD2 3.33Å; K204-N253 CarbonylContact C-O 3.59Å; K204-N253 PolarHBondContact N-O 2.96Å; K204-N253 CarbonylContact O-C 3.59Å; K204-N253 WeakPolarHBondContact O-CA 3.19Å; K204-N253 VanDerWaalsContact O-O 3.14Å; K204-D254 PolarHBondContact O-N 3.36Å; K204-C255 HydrophobicContact CB-CB 4.1Å; K204-C255 HydrophobicContact CD-CB 4.19Å; K204-C255 WeakPolarHBondContact CD-O 3.38Å; K204-C255 HydrophobicContact CG-CB 4.06Å; K204-C255 WeakPolarHBondContact O-CB 3.45Å; K204-C255 PolarHBondContact O-N 3.35Å; K204-P257 HydrophobicContact CD-CG 4.09Å
205I93.6Very high78.1Confident120 Ų120111.2 Ų111.262%0.61554%0.542SS*.  trans-68.1138.2175.7-57.1169.8000109.5N253I205-N253 HydrophobicContact CG1-CB 4.37Å
206H95.3Very high80.6Confident19 Ų19103.3 Ų103.39%0.08851%0.508CS..  trans-73.7141.8175.8-70.2-94000112F208 C239 P252 D254 C255H206-F208 HydrophobicContact CB-CD2 3.71Å; H206-F208 HydrophobicContact CB-CE1 4.41Å; H206-F208 HydrophobicContact CB-CE2 3.33Å; H206-F208 HydrophobicContact CB-CG 4.42Å; H206-F208 HydrophobicContact CB-CZ 3.72Å; H206-F208 AromaticContact CG-CE2 3.93Å; H206-F208 AromaticContact CG-CZ 3.93Å; H206-F208 PolarHBondContact O-N 2.91Å; H206-C239 PolarHBondContact ND1-SG 3.33Å; H206-C239 VanDerWaalsContact ND1-SG 3.36Å; H206-P252 PolarHBondContact CD2-O 3.45Å; H206-P252 PolarHBondContact NE2-O 2.93Å; H206-D254 IonicContact CE1-OD1 2.72Å; H206-D254 IonicContact NE2-OD1 2.9Å; H206-D254 PolarHBondContact NE2-OD1 3.32Å; H206-D254 VanDerWaalsContact NE2-OD1 3.1Å; H206-C255 HydrophobicContact CB-CB 4.42Å; H206-C255 VanDerWaalsContact CE1-CA 3.42Å; H206-C255 WeakPolarHBondContact CE1-CA 3.44Å; H206-C255 WeakPolarHBondContact ND1-CB 3.37Å; H206-C255 PolarHBondContact ND1-SG 3.47Å; H206-C255 VanDerWaalsContact ND1-SG 3.43Å; H206-C255 PolarHBondContact NE2-N 2.94Å
207N96.7Very high83.2Confident68 Ų6899.7 Ų99.736%0.36449%0.487SS..  trans-98.173.4176.7-175.16.4000110.9C236 A237 D238N207-C236 PolarHBondContact N-SG 3.1Å; N207-C236 VanDerWaalsContact N-SG 3.41Å; N207-C236 WeakPolarHBondContact O-CA 3.48Å; N207-A237 HydrophobicContact CB-CB 4.42Å; N207-A237 PolarHBondContact O-N 3.18Å; N207-D238 PolarHBondContact ND2-OD1 3.23Å
208F98Very high85.8Confident46 Ų4692.1 Ų92.120%0.20245%0.451CS..EExtended strand (participates in β ladder)trans-74.1131.5-176.5-72.5-65.5000113.1H206 V234 C236 L241 V243 V251H206-F208 HydrophobicContact CB-CD2 3.71Å; H206-F208 HydrophobicContact CB-CE1 4.41Å; H206-F208 HydrophobicContact CB-CE2 3.33Å; H206-F208 HydrophobicContact CB-CG 4.42Å; H206-F208 HydrophobicContact CB-CZ 3.72Å; H206-F208 AromaticContact CG-CE2 3.93Å; H206-F208 AromaticContact CG-CZ 3.93Å; H206-F208 PolarHBondContact O-N 2.91Å; F208-V234 HydrophobicContact CB-CB 4.09Å; F208-V234 HydrophobicContact CB-CG2 3.97Å; F208-V234 HydrophobicContact CD1-CB 4.23Å; F208-V234 HydrophobicContact CD1-CG2 3.61Å; F208-V234 HydrophobicContact CE1-CG2 4.31Å; F208-V234 HydrophobicContact CG-CB 4.49Å; F208-V234 HydrophobicContact CG-CG2 3.91Å; F208-C236 HydrophobicContact CD1-CB 3.93Å; F208-C236 HydrophobicContact CE1-CB 3.84Å; F208-L241 HydrophobicContact CE1-CD2 4.27Å; F208-L241 HydrophobicContact CE1-CG 4.41Å; F208-L241 HydrophobicContact CZ-CD2 3.95Å; F208-V243 HydrophobicContact CD1-CG2 4.2Å; F208-V243 HydrophobicContact CE1-CG2 3.58Å; F208-V243 HydrophobicContact CZ-CG2 3.86Å; F208-V251 HydrophobicContact CE2-CB 4.41Å; F208-V251 HydrophobicContact CZ-CB 4.33Å; F208-V251 HydrophobicContact CZ-CG1 4.36Å; F208-V251 HydrophobicContact CZ-CG2 4.27Å
209K97.4Very high88Confident124 Ų12483.7 Ų83.754%0.53941%0.412SS..EExtended strand (participates in β ladder)trans-125.8143173.3-63.1-173.5179.7-177.80110.4H211 V234 K235 A237K209-H211 PolarHBondContact O-N 3.37Å; K209-V234 CarbonylContact O-C 3.51Å; K209-V234 WeakPolarHBondContact O-CA 3.19Å; K209-V234 WeakPolarHBondContact O-CB 3.21Å; K209-K235 PolarHBondContact N-O 3.47Å; K209-K235 PolarHBondContact O-N 2.87Å; K209-A237 HydrophobicContact CD-CB 4.26Å
210V97.1Very high90.1Very high95 Ų9578.5 Ų78.558%0.57639%0.385SS*.EExtended strand (participates in β ladder)trans-55.6131173.2177.10000109A231 V234V210-A231 HydrophobicContact CG1-CB 3.53Å; V210-V234 HydrophobicContact CG2-CG1 4.41Å
211H96.5Very high92.2Very high64 Ų6474.1 Ų74.130%0.29635%0.353SS..EExtended strand (participates in β ladder)trans-135141.2-173.2-173-90.3000110.7K209 F213 A231 G233 K235K209-H211 PolarHBondContact O-N 3.37Å; H211-F213 HydrophobicContact CB-CE2 4.22Å; H211-F213 HydrophobicContact CB-CZ 4.15Å; H211-F213 AromaticContact CE1-CD1 3.8Å; H211-F213 AromaticContact CE1-CE1 3.96Å; H211-F213 AromaticContact ND1-CD1 3.4Å; H211-F213 WeakPolarHBondContact ND1-CD1 3.08Å; H211-F213 AromaticContact ND1-CD2 3.87Å; H211-F213 AromaticContact ND1-CE1 3.35Å; H211-F213 WeakPolarHBondContact ND1-CE1 3.32Å; H211-F213 AromaticContact ND1-CE2 3.84Å; H211-F213 AromaticContact ND1-CG 3.67Å; H211-F213 AromaticContact ND1-CZ 3.59Å; H211-A231 WeakPolarHBondContact O-CA 3.38Å; H211-G233 PolarHBondContact N-O 3.31Å; H211-K235 HydrophobicContact CB-CB 3.69Å
212T96.4Very high93.6Very high68 Ų6864.7 Ų64.742%0.41731%0.312SS..  trans-101.9113.1171.5-64.50000108.9I230 A231T212-I230 HydrophobicContact CG2-CB 4.07Å; T212-I230 HydrophobicContact CG2-CG2 4.05Å; T212-A231 PolarHBondContact OG1-N 3.29Å
213F94.6Very high94.3Very high10 Ų1058.7 Ų58.74%0.04429%0.288CS..  trans-82131.6180-63.8-81.5000110.4H211 H217 M226 Q232 K235 N242H211-F213 HydrophobicContact CB-CE2 4.22Å; H211-F213 HydrophobicContact CB-CZ 4.15Å; H211-F213 AromaticContact CE1-CD1 3.8Å; H211-F213 AromaticContact CE1-CE1 3.96Å; H211-F213 AromaticContact ND1-CD1 3.4Å; H211-F213 WeakPolarHBondContact ND1-CD1 3.08Å; H211-F213 AromaticContact ND1-CD2 3.87Å; H211-F213 AromaticContact ND1-CE1 3.35Å; H211-F213 WeakPolarHBondContact ND1-CE1 3.32Å; H211-F213 AromaticContact ND1-CE2 3.84Å; H211-F213 AromaticContact ND1-CG 3.67Å; H211-F213 AromaticContact ND1-CZ 3.59Å; F213-H217 HydrophobicContact CB-CB 4.11Å; F213-H217 HydrophobicContact CD1-CB 4.09Å; F213-H217 AromaticContact CD1-CD2 3.43Å; F213-H217 VanDerWaalsContact CD1-CD2 3.43Å; F213-H217 WeakPolarHBondContact CD1-CD2 3.34Å; F213-H217 AromaticContact CD1-CG 3.66Å; F213-H217 AromaticContact CD1-NE2 3.84Å; F213-H217 HydrophobicContact CG-CB 4.03Å; F213-H217 AromaticContact CG-CG 3.88Å; F213-M226 HydrophobicContact CD1-CE 4.34Å; F213-M226 HydrophobicContact CD2-CE 3.9Å; F213-M226 HydrophobicContact CD2-SD 4.46Å; F213-M226 HydrophobicContact CE1-CE 4.08Å; F213-M226 HydrophobicContact CE2-CE 3.6Å; F213-M226 HydrophobicContact CE2-SD 3.86Å; F213-M226 HydrophobicContact CG-CE 4.26Å; F213-M226 HydrophobicContact CZ-CE 3.71Å; F213-M226 HydrophobicContact CZ-SD 4.24Å; F213-Q232 HydrophobicContact CD2-CB 4.27Å; F213-Q232 PolarHBondContact O-NE2 3.34Å; F213-K235 HydrophobicContact CZ-CB 4.43Å; F213-N242 HydrophobicContact CE1-CB 3.78Å; F213-N242 WeakPolarHBondContact CE1-OD1 3.43Å; F213-N242 HydrophobicContact CZ-CB 3.79Å
214R91.3Very high94.7Very high224 Ų22451.7 Ų51.785%0.84526%0.256SS*.SBendtrans-91.8111.2173.8-67.5-170.3178.7-159.8-0.6108.4H217R214-H217 PolarHBondContact O-CE1 3.35Å; R214-H217 VanDerWaalsContact O-CE1 3.3Å
215G90.4Very high95.1Very high40 Ų4049 Ų4941%0.41224%0.244SC..SBendtrans89.9167.8-171.200000112.6H217G215-H217 PolarHBondContact O-ND1 3.37Å
216P93.4Very high95.3Very high32 Ų3243.5 Ų43.521%0.20822%0.216CC..  trans-69.7132.4-176.130.8-35.7000111Y21 W218 F225 D269 I352Y21-P216 HydrophobicContact CD2-CB 4.49Å; Y21-P216 HydrophobicContact CE2-CB 4.3Å; P216-W218 HydrophobicContact CB-CH2 3.89Å; P216-W218 HydrophobicContact CB-CZ3 3.67Å; P216-W218 HydrophobicContact CG-CH2 4.49Å; P216-W218 HydrophobicContact CG-CZ3 4.21Å; P216-F225 HydrophobicContact CB-CE2 3.64Å; P216-F225 HydrophobicContact CB-CZ 4.42Å; P216-D269 HydrophobicContact CG-CB 3.93Å; P216-I352 HydrophobicContact CG-CD1 4.21Å
217H94.8Very high95.4Very high50 Ų5044.2 Ų44.223%0.23122%0.218CC..  trans-134.4148.8-178.4-7564.4000110.9F213 R214 G215 F225 M226F213-H217 HydrophobicContact CB-CB 4.11Å; F213-H217 HydrophobicContact CD1-CB 4.09Å; F213-H217 AromaticContact CD1-CD2 3.43Å; F213-H217 VanDerWaalsContact CD1-CD2 3.43Å; F213-H217 WeakPolarHBondContact CD1-CD2 3.34Å; F213-H217 AromaticContact CD1-CG 3.66Å; F213-H217 AromaticContact CD1-NE2 3.84Å; F213-H217 HydrophobicContact CG-CB 4.03Å; F213-H217 AromaticContact CG-CG 3.88Å; R214-H217 PolarHBondContact O-CE1 3.35Å; R214-H217 VanDerWaalsContact O-CE1 3.3Å; G215-H217 PolarHBondContact O-ND1 3.37Å; H217-F225 WeakPolarHBondContact O-CD2 3.41Å; H217-M226 HydrophobicContact CB-CE 3.44Å; H217-M226 VanDerWaalsContact CB-CE 3.44Å; H217-M226 PolarHBondContact O-N 3.12Å
218W96Very high95.3Very high15 Ų1541.3 Ų41.36%0.05720%0.204CC..BIsolated β-bridgetrans-113.3147.9179.7-78-109000111W16 K17 Y21 P216 E220 F225 P351 I352W16-W218 HydrophobicContact CB-CG 4.23Å; W16-W218 HydrophobicContact CD2-CB 4.13Å; W16-W218 HydrophobicContact CD2-CG 4.4Å; W16-W218 HydrophobicContact CE3-CB 3.43Å; W16-W218 VanDerWaalsContact CE3-CB 3.43Å; W16-W218 AromaticContact CE3-CG 3.98Å; W16-W218 HydrophobicContact CE3-CG 3.98Å; W16-W218 HydrophobicContact CZ3-CB 3.82Å; K17-W218 PolarHBondContact O-NE1 3.26Å; Y21-W218 HydrophobicContact CD2-CH2 4.15Å; Y21-W218 HydrophobicContact CD2-CZ2 4.29Å; Y21-W218 HydrophobicContact CG-CH2 4.48Å; Y21-W218 HydrophobicContact CG-CZ2 4.21Å; P216-W218 HydrophobicContact CB-CH2 3.89Å; P216-W218 HydrophobicContact CB-CZ3 3.67Å; P216-W218 HydrophobicContact CG-CH2 4.49Å; P216-W218 HydrophobicContact CG-CZ3 4.21Å; W218-E220 PolarHBondContact O-N 2.77Å; W218-F225 HydrophobicContact CD2-CD2 4.11Å; W218-F225 AromaticContact CE2-CD2 3.88Å; W218-F225 HydrophobicContact CE3-CD2 4.27Å; W218-F225 AromaticContact CH2-CD2 3.95Å; W218-F225 HydrophobicContact CH2-CD2 3.95Å; W218-F225 HydrophobicContact CH2-CE2 4.35Å; W218-F225 HydrophobicContact CZ2-CB 4.36Å; W218-F225 AromaticContact CZ2-CD2 3.81Å; W218-F225 HydrophobicContact CZ2-CD2 3.81Å; W218-F225 HydrophobicContact CZ2-CG 4.44Å; W218-F225 HydrophobicContact CZ3-CD2 4.19Å; W218-P351 HydrophobicContact CD2-CB 3.69Å; W218-P351 HydrophobicContact CD2-CG 4.42Å; W218-P351 HydrophobicContact CE3-CB 3.34Å; W218-P351 HydrophobicContact CE3-CG 3.84Å; W218-P351 HydrophobicContact CH2-CB 3.57Å; W218-P351 HydrophobicContact CZ2-CB 3.86Å; W218-P351 HydrophobicContact CZ3-CB 3.29Å; W218-P351 HydrophobicContact CZ3-CG 4.02Å; W218-I352 HydrophobicContact CH2-CD1 4.28Å; W218-I352 HydrophobicContact CH2-CG1 3.86Å
219C95.9Very high95.2Very high0 Ų042.3 Ų42.30%021%0.211CC..  trans-74.3123.1177.8174.50000110.2Y221 A223 N224 M226 V243 H244C219-Y221 PolarHBondContact O-N 3.38Å; C219-Y221 VanDerWaalsContact O-N 3.13Å; C219-Y221 PolarHBondContact SG-N 2.72Å; C219-A223 VanDerWaalsContact O-CA 3.23Å; C219-A223 WeakPolarHBondContact O-CA 3.35Å; C219-A223 PolarHBondContact O-N 3.03Å; C219-N224 WeakPolarHBondContact CB-O 3.17Å; C219-N224 PolarHBondContact N-O 3.29Å; C219-M226 HydrophobicContact CB-CG 4.11Å; C219-M226 HydrophobicContact CB-SD 4.45Å; C219-V243 VanDerWaalsContact SG-CA 3.55Å; C219-H244 WeakPolarHBondContact CB-CE1 3.27Å; C219-H244 WeakPolarHBondContact CB-ND1 3.37Å; C219-H244 PolarHBondContact SG-N 2.83Å; C219-H244 VanDerWaalsContact SG-N 3.4Å; C219-H244 PolarHBondContact SG-ND1 3.45Å
220E93.4Very high95Very high25 Ų2538.1 Ų38.112%0.11719%0.194CC..THydrogen-bonded Turntrans-72.4-3.2-178.9-62.9176.2-115.100113.1W218 L241 N242 K264W218-E220 PolarHBondContact O-N 2.77Å; E220-L241 HydrophobicContact CB-CD1 3.59Å; E220-L241 HydrophobicContact CG-CD1 4.25Å; E220-N242 WeakPolarHBondContact CB-O 3.46Å; E220-N242 WeakPolarHBondContact CG-O 3.36Å; E220-N242 PolarHBondContact N-O 3.23Å; E220-N242 WeakPolarHBondContact OE1-CB 3.28Å; E220-N242 PolarHBondContact OE1-N 2.85Å; E220-N242 PolarHBondContact OE1-ND2 3.45Å; E220-K264 IonicContact OE2-NZ 3.18Å; E220-K264 PolarHBondContact OE2-NZ 3.14Å
221Y94.3Very high94.9Very high24 Ų2434.9 Ų34.99%0.09418%0.177CC..THydrogen-bonded Turntrans-97.3-52.4175.5178.6-91000113T138 P141 I142 Y143 C219 C247 M250 V251T138-Y221 HydrophobicContact CG2-CE1 4.25Å; P141-Y221 CarbonylContact C-O 3.02Å; P141-Y221 WeakPolarHBondContact CA-O 3.31Å; P141-Y221 HydrophobicContact CB-CD1 4.07Å; P141-Y221 HydrophobicContact CB-CD2 4.21Å; P141-Y221 HydrophobicContact CB-CE1 3.63Å; P141-Y221 HydrophobicContact CB-CE2 3.8Å; P141-Y221 HydrophobicContact CB-CG 4.33Å; P141-Y221 VanDerWaalsContact CB-CZ 3.46Å; P141-Y221 WeakPolarHBondContact CB-O 3.36Å; P141-Y221 HydrophobicContact CG-CE1 4.43Å; P141-Y221 HydrophobicContact CG-CE2 4.24Å; I142-Y221 WeakPolarHBondContact CG1-O 3.34Å; I142-Y221 PolarHBondContact N-O 2.86Å; Y143-Y221 HydrophobicContact CD2-CD2 4.43Å; Y143-Y221 HydrophobicContact CG-CD2 4.05Å; Y143-Y221 PolarHBondContact N-O 3.34Å; C219-Y221 PolarHBondContact O-N 3.38Å; C219-Y221 VanDerWaalsContact O-N 3.13Å; C219-Y221 PolarHBondContact SG-N 2.72Å; Y221-C247 HydrophobicContact CD1-CB 3.75Å; Y221-C247 HydrophobicContact CG-CB 4.08Å; Y221-M250 HydrophobicContact CE1-CB 4.02Å; Y221-M250 HydrophobicContact CE2-CB 3.97Å; Y221-M250 WeakPolarHBondContact OH-CB 3.49Å; Y221-V251 HydrophobicContact CD2-CG2 3.82Å; Y221-V251 HydrophobicContact CG-CG2 4.28Å
222C94.3Very high94.9Very high0 Ų033 Ų330%017%0.169CC..THydrogen-bonded Turntrans-104.7-3-174.866.10000114.5K17 M137 N224 H244K17-C222 PolarHBondContact NZ-O 3.3Å; M137-C222 WeakPolarHBondContact O-CB 3.46Å; C222-N224 PolarHBondContact O-N 3.41Å; C222-N224 PolarHBondContact O-ND2 2.84Å; C222-H244 PolarHBondContact SG-CE1 2.93Å; C222-H244 PolarHBondContact SG-ND1 3.37Å
223A94Very high94.9Very high0 Ų030 Ų300%015%0.15CC..  trans62.312-176.200000115.6V15 W16 K17 I142 C219V15-A223 WeakPolarHBondContact O-CB 3.32Å; W16-A223 HydrophobicContact CE3-CB 4.12Å; W16-A223 HydrophobicContact CZ3-CB 4.35Å; K17-A223 PolarHBondContact N-O 3.24Å; I142-A223 HydrophobicContact CB-CB 4.41Å; I142-A223 HydrophobicContact CD1-CB 3.32Å; I142-A223 HydrophobicContact CG1-CB 3.74Å; I142-A223 HydrophobicContact CG2-CB 3.85Å; C219-A223 VanDerWaalsContact O-CA 3.23Å; C219-A223 WeakPolarHBondContact O-CA 3.35Å; C219-A223 PolarHBondContact O-N 3.03Å
224N95.9Very high95.1Very high0 Ų029.9 Ų29.90%015%0.15CC..BIsolated β-bridgetrans-92.8152.2178.4-81-72.7000112K17 L20 Y133 C219 C222 H244K17-N224 WeakPolarHBondContact CB-OD1 3.43Å; L20-N224 HydrophobicContact CD1-CB 4.14Å; Y133-N224 VanDerWaalsContact CE1-OD1 3.31Å; Y133-N224 WeakPolarHBondContact CE1-OD1 3.48Å; Y133-N224 PolarHBondContact OH-OD1 3.01Å; C219-N224 WeakPolarHBondContact CB-O 3.17Å; C219-N224 PolarHBondContact N-O 3.29Å; C222-N224 PolarHBondContact O-N 3.41Å; C222-N224 PolarHBondContact O-ND2 2.84Å; N224-H244 PolarHBondContact O-CE1 3.36Å
225F97.4Very high95.4Very high4 Ų422.9 Ų22.92%0.01813%0.126CC..BIsolated β-bridgetrans-60.2139.4176.4177.2-113.1000112.3L20 Y21 Q24 P216 H217 W218 W227 H244L20-F225 HydrophobicContact CB-CB 4.14Å; L20-F225 HydrophobicContact CB-CD1 4.4Å; Y21-F225 VanDerWaalsContact CA-CD1 3.47Å; Y21-F225 HydrophobicContact CD2-CD2 4.12Å; Y21-F225 HydrophobicContact CD2-CE1 4.31Å; Y21-F225 AromaticContact CD2-CE2 3.86Å; Y21-F225 HydrophobicContact CD2-CE2 3.86Å; Y21-F225 HydrophobicContact CD2-CG 4.47Å; Y21-F225 AromaticContact CD2-CZ 3.96Å; Y21-F225 HydrophobicContact CD2-CZ 3.96Å; Q24-F225 HydrophobicContact CB-CE1 4.09Å; Q24-F225 HydrophobicContact CG-CE1 4.49Å; P216-F225 HydrophobicContact CB-CE2 3.64Å; P216-F225 HydrophobicContact CB-CZ 4.42Å; H217-F225 WeakPolarHBondContact O-CD2 3.41Å; W218-F225 HydrophobicContact CD2-CD2 4.11Å; W218-F225 AromaticContact CE2-CD2 3.88Å; W218-F225 HydrophobicContact CE3-CD2 4.27Å; W218-F225 AromaticContact CH2-CD2 3.95Å; W218-F225 HydrophobicContact CH2-CD2 3.95Å; W218-F225 HydrophobicContact CH2-CE2 4.35Å; W218-F225 HydrophobicContact CZ2-CB 4.36Å; W218-F225 AromaticContact CZ2-CD2 3.81Å; W218-F225 HydrophobicContact CZ2-CD2 3.81Å; W218-F225 HydrophobicContact CZ2-CG 4.44Å; W218-F225 HydrophobicContact CZ3-CD2 4.19Å; F225-W227 HydrophobicContact CD1-CB 4.02Å; F225-W227 HydrophobicContact CE1-CB 3.92Å; F225-H244 PolarHBondContact O-NE2 3.36Å
226M97.5Very high95.6Very high5 Ų521 Ų213%0.02511%0.107CC..  trans-92.496.5174.1-65-172.8-70.200109.4F213 H217 C219 Q232 N242F213-M226 HydrophobicContact CD1-CE 4.34Å; F213-M226 HydrophobicContact CD2-CE 3.9Å; F213-M226 HydrophobicContact CD2-SD 4.46Å; F213-M226 HydrophobicContact CE1-CE 4.08Å; F213-M226 HydrophobicContact CE2-CE 3.6Å; F213-M226 HydrophobicContact CE2-SD 3.86Å; F213-M226 HydrophobicContact CG-CE 4.26Å; F213-M226 HydrophobicContact CZ-CE 3.71Å; F213-M226 HydrophobicContact CZ-SD 4.24Å; H217-M226 HydrophobicContact CB-CE 3.44Å; H217-M226 VanDerWaalsContact CB-CE 3.44Å; H217-M226 PolarHBondContact O-N 3.12Å; C219-M226 HydrophobicContact CB-CG 4.11Å; C219-M226 HydrophobicContact CB-SD 4.45Å; M226-Q232 HydrophobicContact CB-CB 3.99Å; M226-N242 HydrophobicContact CE-CB 4.19Å
227W97.7Very high95.7Very high35 Ų3521 Ų2113%0.13311%0.109CC..  trans-79.6163.9-173.772.493.3000113.7L20 I122 I126 I134 F225 Q232 H244L20-W227 HydrophobicContact CD1-CE3 3.75Å; L20-W227 HydrophobicContact CD1-CZ3 3.68Å; I122-W227 HydrophobicContact CG2-CB 4.47Å; I126-W227 HydrophobicContact CD1-CB 3.43Å; I126-W227 VanDerWaalsContact CD1-CB 3.43Å; I126-W227 HydrophobicContact CD1-CD2 4.36Å; I126-W227 HydrophobicContact CD1-CG 3.54Å; I126-W227 HydrophobicContact CG2-CD2 4.21Å; I126-W227 HydrophobicContact CG2-CG 4.39Å; I134-W227 HydrophobicContact CD1-CH2 4.17Å; I134-W227 HydrophobicContact CD1-CZ2 4.36Å; I134-W227 HydrophobicContact CG1-CH2 4.36Å; I134-W227 HydrophobicContact CG2-CH2 4.24Å; F225-W227 HydrophobicContact CD1-CB 4.02Å; F225-W227 HydrophobicContact CE1-CB 3.92Å; W227-Q232 VanDerWaalsContact O-CB 3.3Å; W227-Q232 WeakPolarHBondContact O-CB 3.33Å; W227-Q232 WeakPolarHBondContact O-CG 3.32Å; W227-H244 AromaticContact CZ3-CD2 3.95Å; W227-H244 AromaticContact CZ3-NE2 3.77Å
228G95.8Very high95.6Very high6 Ų620.6 Ų20.66%0.06211%0.109CC..SBendtrans104.9165.9179.500000113.2D119 Q232D119-G228 WeakPolarHBondContact OD1-CA 3.36Å; G228-Q232 WeakPolarHBondContact O-CG 3.29Å; G228-Q232 PolarHBondContact O-NE2 3.03Å
229L94.2Very high95.3Very high68 Ų6820.5 Ų20.536%0.35611%0.11SC..SBendtrans-85.2-38.8-176.4-173.862.5000112.1D115 T118 D119 Q232D115-L229 HydrophobicContact CB-CD2 3.62Å; T118-L229 HydrophobicContact CG2-CD2 4.43Å; D119-L229 HydrophobicContact CB-CB 4.06Å; D119-L229 PolarHBondContact OD1-N 3.09Å; L229-Q232 VanDerWaalsContact C-NE2 3.25Å; L229-Q232 PolarHBondContact O-NE2 2.9Å
230I95.1Very high95.1Very high36 Ų3621.3 Ų21.319%0.18512%0.118CC..SBendtrans-137.8158.5176.868.9175.8000110.9K108 R109 F110 T212 Q232K108-I230 HydrophobicContact CB-CD1 4.31Å; K108-I230 HydrophobicContact CB-CG1 4.45Å; K108-I230 HydrophobicContact CD-CG1 4.21Å; K108-I230 VanDerWaalsContact CE-O 3.28Å; K108-I230 WeakPolarHBondContact CE-O 3.41Å; K108-I230 PolarHBondContact NZ-O 2.54Å; R109-I230 WeakPolarHBondContact O-CD1 3.47Å; F110-I230 HydrophobicContact CD1-CD1 3.49Å; F110-I230 VanDerWaalsContact CD1-CD1 3.49Å; F110-I230 HydrophobicContact CD1-CG1 4.05Å; F110-I230 HydrophobicContact CD2-CD1 4.43Å; F110-I230 HydrophobicContact CE1-CD1 3.44Å; F110-I230 VanDerWaalsContact CE1-CD1 3.44Å; F110-I230 HydrophobicContact CE1-CG1 3.52Å; F110-I230 HydrophobicContact CE2-CD1 4.38Å; F110-I230 HydrophobicContact CG-CD1 4.02Å; F110-I230 HydrophobicContact CZ-CD1 3.91Å; F110-I230 HydrophobicContact CZ-CG1 3.99Å; T212-I230 HydrophobicContact CG2-CB 4.07Å; T212-I230 HydrophobicContact CG2-CG2 4.05Å; I230-Q232 PolarHBondContact O-N 3.18Å
231A94.1Very high95Very high26 Ų2620.7 Ų20.722%0.21512%0.116CC..  trans49.744.317700000112.4K108 V210 H211 T212 G233K108-A231 HydrophobicContact CD-CB 4.38Å; K108-A231 HydrophobicContact CG-CB 4.15Å; V210-A231 HydrophobicContact CG1-CB 3.53Å; H211-A231 WeakPolarHBondContact O-CA 3.38Å; T212-A231 PolarHBondContact OG1-N 3.29Å; A231-G233 PolarHBondContact O-N 2.77Å
232Q96.2Very high95.1Very high26 Ų2620.7 Ų20.712%0.12112%0.118CC..  trans-68.1-23.3-174.4-53.788.6-13.200112.4F213 M226 W227 G228 L229 I230F213-Q232 HydrophobicContact CD2-CB 4.27Å; F213-Q232 PolarHBondContact O-NE2 3.34Å; M226-Q232 HydrophobicContact CB-CB 3.99Å; W227-Q232 VanDerWaalsContact O-CB 3.3Å; W227-Q232 WeakPolarHBondContact O-CB 3.33Å; W227-Q232 WeakPolarHBondContact O-CG 3.32Å; G228-Q232 WeakPolarHBondContact O-CG 3.29Å; G228-Q232 PolarHBondContact O-NE2 3.03Å; L229-Q232 VanDerWaalsContact C-NE2 3.25Å; L229-Q232 PolarHBondContact O-NE2 2.9Å; I230-Q232 PolarHBondContact O-N 3.18Å
233G97.1Very high95.2Very high3 Ų320.7 Ų20.73%0.03112%0.118CC..EExtended strand (participates in β ladder)trans-165.7-158.1-178.400000112.1H211 A231H211-G233 PolarHBondContact N-O 3.31Å; A231-G233 PolarHBondContact O-N 2.77Å
234V97.8Very high95.4Very high8 Ų821.1 Ų21.15%0.04812%0.119CC..EExtended strand (participates in β ladder)trans-124.1148.3177.5-61.50000110.4F208 K209 V210 V243 K245F208-V234 HydrophobicContact CB-CB 4.09Å; F208-V234 HydrophobicContact CB-CG2 3.97Å; F208-V234 HydrophobicContact CD1-CB 4.23Å; F208-V234 HydrophobicContact CD1-CG2 3.61Å; F208-V234 HydrophobicContact CE1-CG2 4.31Å; F208-V234 HydrophobicContact CG-CB 4.49Å; F208-V234 HydrophobicContact CG-CG2 3.91Å; K209-V234 CarbonylContact O-C 3.51Å; K209-V234 WeakPolarHBondContact O-CA 3.19Å; K209-V234 WeakPolarHBondContact O-CB 3.21Å; V210-V234 HydrophobicContact CG2-CG1 4.41Å; V234-V243 HydrophobicContact CG2-CG2 3.69Å; V234-V243 WeakPolarHBondContact CG2-O 3.5Å; V234-V243 PolarHBondContact N-O 3.4Å; V234-V243 PolarHBondContact O-N 3.35Å; V234-K245 HydrophobicContact CG1-CB 4.49Å
235K97.2Very high95.4Very high77 Ų7726 Ų2634%0.33514%0.141SC..EExtended strand (participates in β ladder)trans-120.7131.5173.9-178.7166.3-167.4161.10109.3K209 H211 F213 A237 G240 L241 N242K209-K235 PolarHBondContact N-O 3.47Å; K209-K235 PolarHBondContact O-N 2.87Å; H211-K235 HydrophobicContact CB-CB 3.69Å; F213-K235 HydrophobicContact CZ-CB 4.43Å; K235-A237 PolarHBondContact O-N 3.19Å; K235-G240 WeakPolarHBondContact CE-O 3.3Å; K235-L241 CarbonylContact C-O 3.59Å; K235-L241 WeakPolarHBondContact CA-O 3.42Å; K235-N242 WeakPolarHBondContact CD-OD1 3.48Å; K235-N242 WeakPolarHBondContact CE-OD1 3.27Å; K235-N242 WeakPolarHBondContact CG-OD1 3.46Å
236C96.1Very high95.3Very high2 Ų231.3 Ų31.31%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-68.6123.2173.2-1760000109.5N207 F208 D238 C239 G240 L241N207-C236 PolarHBondContact N-SG 3.1Å; N207-C236 VanDerWaalsContact N-SG 3.41Å; N207-C236 WeakPolarHBondContact O-CA 3.48Å; F208-C236 HydrophobicContact CD1-CB 3.93Å; F208-C236 HydrophobicContact CE1-CB 3.84Å; C236-D238 PolarHBondContact O-N 3.43Å; C236-C239 VanDerWaalsContact CB-SG 3.59Å; C236-C239 PolarHBondContact SG-SG 3.48Å; C236-G240 VanDerWaalsContact O-CA 3.27Å; C236-G240 WeakPolarHBondContact O-CA 3.44Å; C236-G240 PolarHBondContact O-N 3.41Å; C236-L241 HydrophobicContact CB-CB 4.11Å; C236-L241 PolarHBondContact N-O 3.24Å
237A95.3Very high95.3Very high30 Ų3031 Ų3125%0.24816%0.164CC..THydrogen-bonded Turntrans-67.4-21.7179.800000112.9N207 K209 K235 K260N207-A237 HydrophobicContact CB-CB 4.42Å; N207-A237 PolarHBondContact O-N 3.18Å; K209-A237 HydrophobicContact CD-CB 4.26Å; K235-A237 PolarHBondContact O-N 3.19Å; A237-K260 PolarHBondContact O-NZ 3.39Å
238D92.2Very high95.2Very high43 Ų4330.6 Ų30.623%0.2317%0.166CC..THydrogen-bonded Turntrans-92.9-54.2-173-68.413.3000111.9K204 N207 C236 P257 K260K204-D238 WeakPolarHBondContact CE-OD2 3.44Å; K204-D238 IonicContact NZ-OD2 3.78Å; K204-D238 PolarHBondContact NZ-OD2 3.33Å; N207-D238 PolarHBondContact ND2-OD1 3.23Å; C236-D238 PolarHBondContact O-N 3.43Å; D238-P257 HydrophobicContact CB-CB 4.5Å; D238-P257 HydrophobicContact CB-CG 4.38Å; D238-P257 WeakPolarHBondContact O-CA 3.4Å; D238-K260 WeakPolarHBondContact O-CB 3.25Å; D238-K260 WeakPolarHBondContact O-CD 3.44Å
239C89.4Confident95.2Very high13 Ų1338.5 Ų38.59%0.08820%0.199CC..THydrogen-bonded Turntrans-104.9-10-17768.70000114.7H206 C236 L241 C255 K256 K260H206-C239 PolarHBondContact ND1-SG 3.33Å; H206-C239 VanDerWaalsContact ND1-SG 3.36Å; C236-C239 VanDerWaalsContact CB-SG 3.59Å; C236-C239 PolarHBondContact SG-SG 3.48Å; C239-L241 VanDerWaalsContact SG-CB 3.53Å; C239-C255 VanDerWaalsContact SG-SG 3.65Å; C239-K256 WeakPolarHBondContact CB-O 3.42Å; C239-K260 PolarHBondContact O-N 3.15Å
240G91.4Very high95.2Very high16 Ų1640.3 Ų40.317%0.16521%0.207CC..  trans81.84-18000000116.2K235 C236 N242K235-G240 WeakPolarHBondContact CE-O 3.3Å; C236-G240 VanDerWaalsContact O-CA 3.27Å; C236-G240 WeakPolarHBondContact O-CA 3.44Å; C236-G240 PolarHBondContact O-N 3.41Å; G240-N242 PolarHBondContact O-ND2 2.83Å; G240-N242 VanDerWaalsContact O-ND2 3.13Å; G240-N242 PolarHBondContact O-OD1 3.48Å
241L92.9Very high95.1Very high13 Ų1339.1 Ų39.17%0.06820%0.201CC..  trans-57.8130.8177179.266000112.1Y143 F208 E220 K235 C236 C239 V243 V251Y143-L241 HydrophobicContact CE2-CD1 3.97Å; Y143-L241 HydrophobicContact CE2-CD2 3.78Å; F208-L241 HydrophobicContact CE1-CD2 4.27Å; F208-L241 HydrophobicContact CE1-CG 4.41Å; F208-L241 HydrophobicContact CZ-CD2 3.95Å; E220-L241 HydrophobicContact CB-CD1 3.59Å; E220-L241 HydrophobicContact CG-CD1 4.25Å; K235-L241 CarbonylContact C-O 3.59Å; K235-L241 WeakPolarHBondContact CA-O 3.42Å; C236-L241 HydrophobicContact CB-CB 4.11Å; C236-L241 PolarHBondContact N-O 3.24Å; C239-L241 VanDerWaalsContact SG-CB 3.53Å; L241-V243 HydrophobicContact CD1-CG1 4.33Å; L241-V243 HydrophobicContact CD2-CG1 4.4Å; L241-V243 HydrophobicContact CG-CG1 4.1Å; L241-V251 HydrophobicContact CD2-CG1 3.75Å; L241-V251 HydrophobicContact CD2-CG2 4.39Å
242N95.3Very high95.1Very high24 Ų2440.5 Ų40.513%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-113121.1-177.1-47.5-69.2000110.9F213 E220 M226 K235 G240F213-N242 HydrophobicContact CE1-CB 3.78Å; F213-N242 WeakPolarHBondContact CE1-OD1 3.43Å; F213-N242 HydrophobicContact CZ-CB 3.79Å; E220-N242 WeakPolarHBondContact CB-O 3.46Å; E220-N242 WeakPolarHBondContact CG-O 3.36Å; E220-N242 PolarHBondContact N-O 3.23Å; E220-N242 WeakPolarHBondContact OE1-CB 3.28Å; E220-N242 PolarHBondContact OE1-N 2.85Å; E220-N242 PolarHBondContact OE1-ND2 3.45Å; M226-N242 HydrophobicContact CE-CB 4.19Å; K235-N242 WeakPolarHBondContact CD-OD1 3.48Å; K235-N242 WeakPolarHBondContact CE-OD1 3.27Å; K235-N242 WeakPolarHBondContact CG-OD1 3.46Å; G240-N242 PolarHBondContact O-ND2 2.83Å; G240-N242 VanDerWaalsContact O-ND2 3.13Å; G240-N242 PolarHBondContact O-OD1 3.48Å
243V97.1Very high94.9Very high0 Ų042.2 Ų42.20%022%0.218CC..EExtended strand (participates in β ladder)trans-146.5163.7-177.2-64.30000111.9F208 C219 V234 L241 C247 V251F208-V243 HydrophobicContact CD1-CG2 4.2Å; F208-V243 HydrophobicContact CE1-CG2 3.58Å; F208-V243 HydrophobicContact CZ-CG2 3.86Å; C219-V243 VanDerWaalsContact SG-CA 3.55Å; V234-V243 HydrophobicContact CG2-CG2 3.69Å; V234-V243 WeakPolarHBondContact CG2-O 3.5Å; V234-V243 PolarHBondContact N-O 3.4Å; V234-V243 PolarHBondContact O-N 3.35Å; L241-V243 HydrophobicContact CD1-CG1 4.33Å; L241-V243 HydrophobicContact CD2-CG1 4.4Å; L241-V243 HydrophobicContact CG-CG1 4.1Å; V243-C247 HydrophobicContact CB-CB 4.15Å; V243-V251 HydrophobicContact CG1-CG2 4.16Å; V243-V251 HydrophobicContact CG2-CG2 4.47Å
244H97.9Very high94.5Very high8 Ų843.9 Ų43.94%0.03723%0.226CC..  trans-62.3154168.7-60.7104.7000111.6C219 C222 N224 F225 W227 Q246 C247 S248C219-H244 WeakPolarHBondContact CB-CE1 3.27Å; C219-H244 WeakPolarHBondContact CB-ND1 3.37Å; C219-H244 PolarHBondContact SG-N 2.83Å; C219-H244 VanDerWaalsContact SG-N 3.4Å; C219-H244 PolarHBondContact SG-ND1 3.45Å; C222-H244 PolarHBondContact SG-CE1 2.93Å; C222-H244 PolarHBondContact SG-ND1 3.37Å; N224-H244 PolarHBondContact O-CE1 3.36Å; F225-H244 PolarHBondContact O-NE2 3.36Å; W227-H244 AromaticContact CZ3-CD2 3.95Å; W227-H244 AromaticContact CZ3-NE2 3.77Å; H244-Q246 PolarHBondContact O-N 3.13Å; H244-C247 HydrophobicContact CB-CB 4.11Å; H244-C247 PolarHBondContact O-N 2.93Å; H244-C247 VanDerWaalsContact O-N 3.11Å; H244-S248 PolarHBondContact O-N 3.48Å
245K96.2Very high94.2Very high103 Ų10343.5 Ų43.545%0.44822%0.224SC..THydrogen-bonded Turntrans-54-40.3174.9-171.8178-177.7-175.80112.3E107 V234 S248E107-K245 VanDerWaalsContact CD-NZ 3.3Å; E107-K245 IonicContact OE1-NZ 2.89Å; E107-K245 PolarHBondContact OE1-NZ 3.04Å; E107-K245 VanDerWaalsContact OE1-NZ 3.1Å; E107-K245 IonicContact OE2-NZ 3.62Å; E107-K245 PolarHBondContact OE2-NZ 2.75Å; V234-K245 HydrophobicContact CG1-CB 4.49Å; K245-S248 PolarHBondContact O-OG 2.93Å
246Q95.6Very high93.7Very high115 Ų11543.3 Ų43.354%0.53722%0.223SC..THydrogen-bonded Turntrans-72.1-42.6177.4-65.8175.9-4.600112.3M137 H244 S248 K249M137-Q246 HydrophobicContact CE-CB 4.47Å; H244-Q246 PolarHBondContact O-N 3.13Å; Q246-S248 VanDerWaalsContact C-N 3.26Å; Q246-S248 PolarHBondContact O-N 2.85Å; Q246-K249 PolarHBondContact O-N 3.08Å
247C96.7Very high93.3Very high0 Ų044.9 Ų44.90%023%0.234CC..G310 helixtrans-63.1-32.1178.7-68.50000112.2Y221 V243 H244 K249 M250 V251Y221-C247 HydrophobicContact CD1-CB 3.75Å; Y221-C247 HydrophobicContact CG-CB 4.08Å; V243-C247 HydrophobicContact CB-CB 4.15Å; H244-C247 HydrophobicContact CB-CB 4.11Å; H244-C247 PolarHBondContact O-N 2.93Å; H244-C247 VanDerWaalsContact O-N 3.11Å; C247-K249 PolarHBondContact O-N 2.82Å; C247-M250 WeakPolarHBondContact O-CA 3.45Å; C247-M250 WeakPolarHBondContact O-CB 3.48Å; C247-M250 PolarHBondContact O-N 3.43Å; C247-V251 PolarHBondContact O-N 3.4Å
248S96.6Very high92.6Very high25 Ų2549.6 Ų49.618%0.17525%0.254CS..G310 helixtrans-55.5-25.217875.80000114.6H244 K245 Q246 M250H244-S248 PolarHBondContact O-N 3.48Å; K245-S248 PolarHBondContact O-OG 2.93Å; Q246-S248 VanDerWaalsContact C-N 3.26Å; Q246-S248 PolarHBondContact O-N 2.85Å; S248-M250 VanDerWaalsContact C-N 3.32Å
249K95.3Very high92Very high172 Ų17249.1 Ų49.175%0.74825%0.252SS*.G310 helixtrans-80.6-14.8177.4-56.4179-177.7-1790113.3Q246 C247Q246-K249 PolarHBondContact O-N 3.08Å; C247-K249 PolarHBondContact O-N 2.82Å
250M94.6Very high91.6Very high106 Ų10654.3 Ų54.352%0.52227%0.273SS..THydrogen-bonded Turntrans-105.6-15.9-176.7-54.8-61.7-162.500112.6Y221 C247 S248Y221-M250 HydrophobicContact CE1-CB 4.02Å; Y221-M250 HydrophobicContact CE2-CB 3.97Å; Y221-M250 WeakPolarHBondContact OH-CB 3.49Å; C247-M250 WeakPolarHBondContact O-CA 3.45Å; C247-M250 WeakPolarHBondContact O-CB 3.48Å; C247-M250 PolarHBondContact O-N 3.43Å; S248-M250 VanDerWaalsContact C-N 3.32Å
251V93.2Very high90.9Very high11 Ų1161 Ų617%0.06730%0.299CS..SBendtrans-65129.5177.6176.30000109.4Y143 F208 Y221 L241 V243 C247Y143-V251 HydrophobicContact CE1-CG1 4.25Å; Y143-V251 HydrophobicContact CE2-CG1 4.16Å; F208-V251 HydrophobicContact CE2-CB 4.41Å; F208-V251 HydrophobicContact CZ-CB 4.33Å; F208-V251 HydrophobicContact CZ-CG1 4.36Å; F208-V251 HydrophobicContact CZ-CG2 4.27Å; Y221-V251 HydrophobicContact CD2-CG2 3.82Å; Y221-V251 HydrophobicContact CG-CG2 4.28Å; L241-V251 HydrophobicContact CD2-CG1 3.75Å; L241-V251 HydrophobicContact CD2-CG2 4.39Å; V243-V251 HydrophobicContact CG1-CG2 4.16Å; V243-V251 HydrophobicContact CG2-CG2 4.47Å; C247-V251 PolarHBondContact O-N 3.4Å
252P92.6Very high90.1Very high55 Ų5562.1 Ų62.136%0.35731%0.307SS..  trans-57.7159.7174.7-2635.1000114.3Y143 H206 D254Y143-P252 HydrophobicContact CD1-CG 4.25Å; Y143-P252 HydrophobicContact CE1-CG 4.16Å; H206-P252 PolarHBondContact CD2-O 3.45Å; H206-P252 PolarHBondContact NE2-O 2.93Å; P252-D254 PolarHBondContact O-N 2.8Å
253N92.1Very high89.4Confident62 Ų6268.8 Ų68.833%0.33233%0.334SS..SBendtrans-80.956.1177-66.9-25.8000112.3E203 K204 I205E203-N253 CarbonylContact C-O 3.57Å; E203-N253 VanDerWaalsContact CA-O 3.31Å; E203-N253 WeakPolarHBondContact CA-O 3.35Å; E203-N253 HydrophobicContact CG-CB 3.57Å; E203-N253 PolarHBondContact OE1-ND2 2.89Å; K204-N253 CarbonylContact C-O 3.59Å; K204-N253 PolarHBondContact N-O 2.96Å; K204-N253 CarbonylContact O-C 3.59Å; K204-N253 WeakPolarHBondContact O-CA 3.19Å; K204-N253 VanDerWaalsContact O-O 3.14Å; I205-N253 HydrophobicContact CG1-CB 4.37Å
254D90Very high88.9Confident39 Ų3972.8 Ų72.821%0.20935%0.352CS..BIsolated β-bridgetrans-11627.5-175.265.7-11.5000112.8Y143 K204 H206 P252 K256Y143-D254 WeakPolarHBondContact CE1-OD2 3.21Å; Y143-D254 PolarHBondContact OH-OD1 2.94Å; Y143-D254 PolarHBondContact OH-OD2 3.09Å; K204-D254 PolarHBondContact O-N 3.36Å; H206-D254 IonicContact CE1-OD1 2.72Å; H206-D254 IonicContact NE2-OD1 2.9Å; H206-D254 PolarHBondContact NE2-OD1 3.32Å; H206-D254 VanDerWaalsContact NE2-OD1 3.1Å; P252-D254 PolarHBondContact O-N 2.8Å; D254-K256 PolarHBondContact O-N 3.44Å; D254-K256 VanDerWaalsContact O-N 3.11Å
255C90.1Very high88.6Confident0 Ų072.6 Ų72.60%035%0.351CS..  trans-59.7112.8-171.9-174.20000112.8Y202 K204 H206 C239 P257Y202-C255 WeakPolarHBondContact CE1-O 3.45Å; Y202-C255 PolarHBondContact OH-O 2.81Å; K204-C255 HydrophobicContact CB-CB 4.1Å; K204-C255 HydrophobicContact CD-CB 4.19Å; K204-C255 WeakPolarHBondContact CD-O 3.38Å; K204-C255 HydrophobicContact CG-CB 4.06Å; K204-C255 WeakPolarHBondContact O-CB 3.45Å; K204-C255 PolarHBondContact O-N 3.35Å; H206-C255 HydrophobicContact CB-CB 4.42Å; H206-C255 VanDerWaalsContact CE1-CA 3.42Å; H206-C255 WeakPolarHBondContact CE1-CA 3.44Å; H206-C255 WeakPolarHBondContact ND1-CB 3.37Å; H206-C255 PolarHBondContact ND1-SG 3.47Å; H206-C255 VanDerWaalsContact ND1-SG 3.43Å; H206-C255 PolarHBondContact NE2-N 2.94Å; C239-C255 VanDerWaalsContact SG-SG 3.65Å; C255-P257 WeakPolarHBondContact O-CD 3.31Å
256K87.8Confident88.5Confident72 Ų7267.8 Ų67.831%0.31333%0.33SS..  trans-102.8102.5174.8-65-173.7-177.6-177.90111.6T149 Y202 C239 D254 D258 L259T149-K256 HydrophobicContact CG2-CD 4.45Å; Y202-K256 HydrophobicContact CE1-CG 4.16Å; C239-K256 WeakPolarHBondContact CB-O 3.42Å; D254-K256 PolarHBondContact O-N 3.44Å; D254-K256 VanDerWaalsContact O-N 3.11Å; K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 3.3Å; K256-L259 HydrophobicContact CB-CD1 3.97Å; K256-L259 HydrophobicContact CB-CG 4.02Å; K256-L259 WeakPolarHBondContact O-CB 3.47Å; K256-L259 PolarHBondContact O-N 3.5Å
257P87Confident88.4Confident36 Ų3663.9 Ų63.923%0.23432%0.316CS..G310 helixtrans-64.1-28.8-173.8-25.338.2000114.5K204 D238 C255 L259 K260K204-P257 HydrophobicContact CD-CG 4.09Å; D238-P257 HydrophobicContact CB-CB 4.5Å; D238-P257 HydrophobicContact CB-CG 4.38Å; D238-P257 WeakPolarHBondContact O-CA 3.4Å; C255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-L259 PolarHBondContact O-N 2.62Å; P257-L259 VanDerWaalsContact O-N 3.11Å; P257-K260 WeakPolarHBondContact O-CB 3.37Å; P257-K260 PolarHBondContact O-N 2.89Å
258D81.3Confident88.1Confident128 Ų12865.3 Ų65.368%0.68433%0.325SS*.G310 helixtrans-58.3-28.5-179.9-60.3-30.4000112.3K256 K260 H261K256-D258 VanDerWaalsContact C-N 3.27Å; K256-D258 PolarHBondContact O-N 3.3Å; D258-K260 PolarHBondContact O-N 3.27Å; D258-K260 VanDerWaalsContact O-N 3.13Å; D258-H261 PolarHBondContact O-N 2.65Å; D258-H261 PolarHBondContact O-ND1 2.92Å
259L79Confident88.1Confident33 Ų3364.5 Ų64.517%0.17332%0.319CS..G310 helixtrans-62.1-18.5175.6-63.1-178.8000113.5Y148 T149 K256 P257 H261 V262Y148-L259 HydrophobicContact CD2-CD2 4.2Å; Y148-L259 HydrophobicContact CG-CD2 4.28Å; T149-L259 HydrophobicContact CG2-CD1 4.16Å; K256-L259 HydrophobicContact CB-CD1 3.97Å; K256-L259 HydrophobicContact CB-CG 4.02Å; K256-L259 WeakPolarHBondContact O-CB 3.47Å; K256-L259 PolarHBondContact O-N 3.5Å; P257-L259 PolarHBondContact O-N 2.62Å; P257-L259 VanDerWaalsContact O-N 3.11Å; L259-H261 PolarHBondContact O-N 3.15Å; L259-V262 WeakPolarHBondContact O-CB 3.33Å; L259-V262 PolarHBondContact O-N 2.81Å; L259-V262 VanDerWaalsContact O-N 3.09Å
260K80.1Confident88.1Confident123 Ų12356.3 Ų56.354%0.53528%0.283SS..G310 helixtrans-63.6-26.7176.5-177.4175.1176.4177.60113A237 D238 C239 P257 D258 V262A237-K260 PolarHBondContact O-NZ 3.39Å; D238-K260 WeakPolarHBondContact O-CB 3.25Å; D238-K260 WeakPolarHBondContact O-CD 3.44Å; C239-K260 PolarHBondContact O-N 3.15Å; P257-K260 WeakPolarHBondContact O-CB 3.37Å; P257-K260 PolarHBondContact O-N 2.89Å; D258-K260 PolarHBondContact O-N 3.27Å; D258-K260 VanDerWaalsContact O-N 3.13Å; K260-V262 VanDerWaalsContact C-N 3.31Å
261H76.8Confident88.1Confident156 Ų15652.6 Ų52.672%0.72227%0.267SS*.G310 helixtrans-79.7-17.6178-57.6102.6000112.4D258 L259 K263D258-H261 PolarHBondContact O-N 2.65Å; D258-H261 PolarHBondContact O-ND1 2.92Å; L259-H261 PolarHBondContact O-N 3.15Å; H261-K263 PolarHBondContact O-N 2.89Å
262V76.9Confident88.1Confident36 Ų3653.4 Ų53.422%0.21827%0.272CS..  trans-78112.3176-175.30000108.5Y148 L259 K260 K264 D320Y148-V262 HydrophobicContact CE1-CG1 4.47Å; Y148-V262 HydrophobicContact CE2-CG1 3.94Å; L259-V262 WeakPolarHBondContact O-CB 3.33Å; L259-V262 PolarHBondContact O-N 2.81Å; L259-V262 VanDerWaalsContact O-N 3.09Å; K260-V262 VanDerWaalsContact C-N 3.31Å; V262-K264 PolarHBondContact O-N 2.9Å; V262-D320 HydrophobicContact CG1-CB 4.25Å; V262-D320 VanDerWaalsContact CG1-O 3.3Å; V262-D320 WeakPolarHBondContact CG1-O 3.04Å
263K81.3Confident88.2Confident164 Ų16451 Ų5171%0.71326%0.256SS*.  trans-9494.8176.7-69.3-177.3-178.4177.60108.6H261 V265 D320H261-K263 PolarHBondContact O-N 2.89Å; K263-V265 PolarHBondContact O-N 3.01Å; K263-D320 CarbonylContact C-O 3.49Å; K263-D320 PolarHBondContact N-O 3.44Å
264K85.2Confident88.3Confident85 Ų8548.8 Ų48.837%0.3725%0.245SC..  trans-52.9131.4-179.1-50.3-165.2-170.9-167.40111.6Y148 E220 V262Y148-K264 HydrophobicContact CE2-CD 4.13Å; Y148-K264 HydrophobicContact CE2-CG 4.09Å; E220-K264 IonicContact OE2-NZ 3.18Å; E220-K264 PolarHBondContact OE2-NZ 3.14Å; V262-K264 PolarHBondContact O-N 2.9Å
265V92.4Very high88.3Confident3 Ų354.4 Ų54.42%0.01827%0.267CS..  trans-106.5-45.5174.7-1790000109.3K263 L273 M283 V284 F319 D320 Y346K263-V265 PolarHBondContact O-N 3.01Å; V265-L273 HydrophobicContact CG1-CD1 4.31Å; V265-L273 HydrophobicContact CG1-CD2 3.91Å; V265-M283 HydrophobicContact CG1-CG 4.42Å; V265-M283 HydrophobicContact CG1-SD 4.49Å; V265-M283 HydrophobicContact CG2-SD 4.34Å; V265-V284 HydrophobicContact CG1-CG2 3.49Å; V265-V284 VanDerWaalsContact CG1-CG2 3.49Å; V265-F319 WeakPolarHBondContact CG2-O 3.15Å; V265-D320 WeakPolarHBondContact CA-OD1 3.44Å; V265-D320 PolarHBondContact N-OD1 2.91Å; V265-Y346 HydrophobicContact CG1-CE2 4.49Å
266Y94.1Very high88.3Confident2 Ų258 Ų581%0.00830%0.297CS..THydrogen-bonded Turntrans-68.8153.6169.5-80.1-110.8000110.8C268 V284 K316 F319 D320 A342 L345 Y346 D349Y266-C268 PolarHBondContact O-N 3.01Å; Y266-V284 HydrophobicContact CD2-CG2 4.39Å; Y266-V284 HydrophobicContact CE2-CG1 3.9Å; Y266-V284 HydrophobicContact CE2-CG2 3.87Å; Y266-V284 WeakPolarHBondContact OH-CG1 3.36Å; Y266-K316 HydrophobicContact CD1-CB 4.15Å; Y266-K316 HydrophobicContact CD1-CD 3.54Å; Y266-K316 HydrophobicContact CD1-CG 3.71Å; Y266-K316 HydrophobicContact CD2-CB 4.15Å; Y266-K316 HydrophobicContact CD2-CG 3.77Å; Y266-K316 HydrophobicContact CE1-CB 3.92Å; Y266-K316 HydrophobicContact CE1-CD 3.99Å; Y266-K316 HydrophobicContact CE1-CG 4.02Å; Y266-K316 HydrophobicContact CE2-CB 3.97Å; Y266-K316 HydrophobicContact CE2-CG 4.13Å; Y266-K316 HydrophobicContact CG-CB 4.25Å; Y266-K316 HydrophobicContact CG-CD 3.82Å; Y266-K316 HydrophobicContact CG-CG 3.56Å; Y266-F319 HydrophobicContact CD2-CB 4.25Å; Y266-F319 HydrophobicContact CE2-CB 3.87Å; Y266-F319 AromaticContact CE2-CD2 3.93Å; Y266-F319 HydrophobicContact CE2-CD2 3.93Å; Y266-F319 HydrophobicContact CE2-CG 4.21Å; Y266-D320 PolarHBondContact N-OD1 2.9Å; Y266-A342 PolarHBondContact OH-O 3.15Å; Y266-L345 HydrophobicContact CD1-CG 4.47Å; Y266-L345 HydrophobicContact CE1-CB 4.37Å; Y266-L345 HydrophobicContact CE1-CD2 4.4Å; Y266-L345 HydrophobicContact CE1-CG 4.11Å; Y266-Y346 HydrophobicContact CD1-CD2 4.08Å; Y266-Y346 HydrophobicContact CD2-CD2 4.18Å; Y266-Y346 HydrophobicContact CE1-CD2 4.08Å; Y266-Y346 HydrophobicContact CE1-CG 4.35Å; Y266-Y346 HydrophobicContact CE2-CD2 4.14Å; Y266-Y346 HydrophobicContact CG-CD2 4.14Å; Y266-D349 HydrophobicContact CD1-CB 4.32Å
267S92.6Very high88.4Confident34 Ų3458.4 Ų58.424%0.23830%0.3CS..THydrogen-bonded Turntrans59.910.8-178.7-59.20000116W16 D349 P351W16-S267 PolarHBondContact NE1-OG 3.5Å; S267-D349 WeakPolarHBondContact CA-O 3.22Å; S267-P351 WeakPolarHBondContact O-CG 3.42Å
268C91.7Very high88.7Confident29 Ų2962.9 Ų62.920%0.19633%0.327CS..SBendtrans-90146.1169.5-166.30000110.1Y266 L270 L273 L350 P351Y266-C268 PolarHBondContact O-N 3.01Å; C268-L270 PolarHBondContact O-N 3.41Å; C268-L273 HydrophobicContact CB-CB 4.43Å; C268-L273 HydrophobicContact CB-CD1 4.47Å; C268-L350 WeakPolarHBondContact O-CD2 3.18Å; C268-P351 WeakPolarHBondContact O-CD 3.44Å
269D95.2Very high89.2Confident8 Ų859 Ų594%0.04331%0.308CS..  trans-58.7133.2171166.364.1000110.9P216 T271 T272 L273P216-D269 HydrophobicContact CG-CB 3.93Å; D269-T271 PolarHBondContact O-N 2.8Å; D269-T271 PolarHBondContact OD2-N 2.85Å; D269-T272 WeakPolarHBondContact O-CB 3.47Å; D269-T272 PolarHBondContact O-N 3.4Å; D269-T272 VanDerWaalsContact OD2-CB 3.31Å; D269-T272 WeakPolarHBondContact OD2-CB 3.42Å; D269-T272 PolarHBondContact OD2-N 3.41Å; D269-T272 PolarHBondContact OD2-OG1 3.36Å; D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 PolarHBondContact O-N 3.11Å
270L96.4Very high89.9Confident0 Ų064.9 Ų64.90%033%0.332CS..Hα-helixtrans-58.5-48.3-173.5176.257.4000111.8C268 T272 L273 V274 P282 L350 L354 A389 H390 T393C268-L270 PolarHBondContact O-N 3.41Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-V274 HydrophobicContact CD1-CG2 4.05Å; L270-V274 WeakPolarHBondContact O-CB 3.38Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.18Å; L270-V274 PolarHBondContact O-N 2.85Å; L270-P282 HydrophobicContact CD1-CG 3.18Å; L270-L350 HydrophobicContact CB-CD1 4.43Å; L270-L350 HydrophobicContact CB-CD2 4.12Å; L270-L350 HydrophobicContact CD2-CD1 4.44Å; L270-L354 HydrophobicContact CD2-CD1 3.63Å; L270-A389 HydrophobicContact CG-CB 4.29Å; L270-H390 HydrophobicContact CD2-CB 4.31Å; L270-T393 HydrophobicContact CD2-CG2 4.46Å
271T95.2Very high90.7Very high29 Ų2960.6 Ų60.618%0.17831%0.312CS..Hα-helixtrans-65.1-39.7-179.5-62.80000111.2D269 K275D269-T271 PolarHBondContact O-N 2.8Å; D269-T271 PolarHBondContact OD2-N 2.85Å; T271-K275 HydrophobicContact CG2-CD 4.07Å; T271-K275 WeakPolarHBondContact O-CB 3.2Å; T271-K275 VanDerWaalsContact O-CG 3.29Å; T271-K275 WeakPolarHBondContact O-CG 3.35Å; T271-K275 PolarHBondContact O-N 2.98Å; T271-K275 VanDerWaalsContact O-N 3.09Å
272T92.3Very high91.7Very high27 Ų2753.2 Ų53.217%0.16628%0.279CS..Hα-helixtrans-64.2-46.3177.7-59.30000111.4D269 L270 K275 A276D269-T272 WeakPolarHBondContact O-CB 3.47Å; D269-T272 PolarHBondContact O-N 3.4Å; D269-T272 VanDerWaalsContact OD2-CB 3.31Å; D269-T272 WeakPolarHBondContact OD2-CB 3.42Å; D269-T272 PolarHBondContact OD2-N 3.41Å; D269-T272 PolarHBondContact OD2-OG1 3.36Å; L270-T272 VanDerWaalsContact C-N 3.32Å; L270-T272 PolarHBondContact O-N 3.43Å; T272-K275 PolarHBondContact O-N 3.49Å; T272-A276 VanDerWaalsContact O-CB 3.3Å; T272-A276 WeakPolarHBondContact O-CB 3.4Å; T272-A276 PolarHBondContact O-N 3.43Å
273L93.9Very high92.6Very high6 Ų652 Ų523%0.03127%0.27CS..Hα-helixtrans-62.1-50.6178.4-176.472.5000111.6V265 C268 D269 L270 K275 A276 H277 P282 Y346V265-L273 HydrophobicContact CG1-CD1 4.31Å; V265-L273 HydrophobicContact CG1-CD2 3.91Å; C268-L273 HydrophobicContact CB-CB 4.43Å; C268-L273 HydrophobicContact CB-CD1 4.47Å; D269-L273 WeakPolarHBondContact O-CB 3.36Å; D269-L273 PolarHBondContact O-N 3.11Å; L270-L273 PolarHBondContact O-N 3.37Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.94Å; L273-A276 PolarHBondContact O-N 3.19Å; L273-A276 VanDerWaalsContact O-N 3.15Å; L273-H277 PolarHBondContact O-CD2 2.58Å; L273-H277 VanDerWaalsContact O-CD2 3.32Å; L273-H277 PolarHBondContact O-N 3.13Å; L273-P282 HydrophobicContact CD2-CB 4.01Å; L273-P282 HydrophobicContact CD2-CG 4.36Å; L273-Y346 WeakPolarHBondContact CD2-OH 3.2Å
274V94.2Very high93.4Very high15 Ų1544.1 Ų44.19%0.09124%0.236CC..Hα-helixtrans-58.5-43.91801700000111.1L270 T278 T279 P282 A389L270-V274 HydrophobicContact CD1-CG2 4.05Å; L270-V274 WeakPolarHBondContact O-CB 3.38Å; L270-V274 VanDerWaalsContact O-CG2 3.27Å; L270-V274 WeakPolarHBondContact O-CG2 3.18Å; L270-V274 PolarHBondContact O-N 2.85Å; V274-T278 PolarHBondContact O-N 3.3Å; V274-T279 WeakPolarHBondContact CG1-O 3.46Å; V274-T279 PolarHBondContact O-N 3.15Å; V274-P282 HydrophobicContact CG2-CG 4.33Å; V274-A389 HydrophobicContact CB-CB 4.19Å; V274-A389 HydrophobicContact CG1-CB 4.26Å; V274-A389 HydrophobicContact CG2-CB 4.17Å
275K91Very high94.1Very high156 Ų15640.1 Ų40.168%0.67822%0.219SC*.Hα-helixtrans-66.3-40.8175.9-74.4177.7179.3177.20112.8T271 T272 L273 H277 T278T271-K275 HydrophobicContact CG2-CD 4.07Å; T271-K275 WeakPolarHBondContact O-CB 3.2Å; T271-K275 VanDerWaalsContact O-CG 3.29Å; T271-K275 WeakPolarHBondContact O-CG 3.35Å; T271-K275 PolarHBondContact O-N 2.98Å; T271-K275 VanDerWaalsContact O-N 3.09Å; T272-K275 PolarHBondContact O-N 3.49Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 2.94Å; K275-H277 VanDerWaalsContact C-N 3.33Å; K275-H277 PolarHBondContact O-N 2.84Å; K275-T278 PolarHBondContact O-N 3.34Å
276A89.4Confident94.4Very high77 Ų7742.2 Ų42.264%0.63623%0.23SC*.Hα-helixtrans-65.8-36.3-179.300000112.4T272 L273T272-A276 VanDerWaalsContact O-CB 3.3Å; T272-A276 WeakPolarHBondContact O-CB 3.4Å; T272-A276 PolarHBondContact O-N 3.43Å; L273-A276 PolarHBondContact O-N 3.19Å; L273-A276 VanDerWaalsContact O-N 3.15Å
277H90.3Very high94.6Very high80 Ų8043 Ų4337%0.3723%0.234SC..Hα-helixtrans-91.3-7.3178.6-71.3-87.1000113.8L273 K275 T279 M283L273-H277 PolarHBondContact O-CD2 2.58Å; L273-H277 VanDerWaalsContact O-CD2 3.32Å; L273-H277 PolarHBondContact O-N 3.13Å; K275-H277 VanDerWaalsContact C-N 3.33Å; K275-H277 PolarHBondContact O-N 2.84Å; H277-T279 HydrophobicContact CB-CG2 4Å; H277-T279 PolarHBondContact O-N 2.82Å; H277-M283 HydrophobicContact CB-CE 4.28Å
278T92.4Very high94.9Very high130 Ų13041.4 Ų41.480%0.79822%0.223SC*.THydrogen-bonded Turntrans55.739.3-178-43.90000112V274 K275V274-T278 PolarHBondContact O-N 3.3Å; K275-T278 PolarHBondContact O-N 3.34Å
279T93.4Very high95.2Very high46 Ų4640 Ų4028%0.28221%0.213SC..  trans-107.3175176.864.40000110.2V274 H277 R281V274-T279 WeakPolarHBondContact CG1-O 3.46Å; V274-T279 PolarHBondContact O-N 3.15Å; H277-T279 HydrophobicContact CB-CG2 4Å; H277-T279 PolarHBondContact O-N 2.82Å; T279-R281 WeakPolarHBondContact CB-O 3.32Å; T279-R281 PolarHBondContact OG1-O 2.83Å
280K93.1Very high95.4Very high157 Ų15746.9 Ų46.968%0.68324%0.239SC*.SBendtrans-85-32.2173-64.8-176.5179.9-177.50112.2E392K280-E392 HydrophobicContact CB-CG 4.37Å
281R96.8Very high95.5Very high32 Ų3248.1 Ų48.112%0.12125%0.245CC..SBendtrans-146.9166.3-175-62.8179.3-57.2-79.1-7.5109.9T279 D286 E392 Y396T279-R281 WeakPolarHBondContact CB-O 3.32Å; T279-R281 PolarHBondContact OG1-O 2.83Å; R281-D286 IonicContact CZ-OD1 3.61Å; R281-D286 IonicContact NE-OD1 2.77Å; R281-D286 PolarHBondContact NE-OD1 2.87Å; R281-D286 IonicContact NH2-OD1 2.76Å; R281-D286 PolarHBondContact NH2-OD1 2.66Å; R281-D286 IonicContact NH2-OD2 3.1Å; R281-E392 VanDerWaalsContact CD-O 3.29Å; R281-E392 WeakPolarHBondContact CD-O 3.34Å; R281-E392 HydrophobicContact CG-CB 4.48Å; R281-E392 HydrophobicContact CG-CG 3.76Å; R281-E392 IonicContact CZ-OE1 3.6Å; R281-E392 IonicContact NH1-OE1 3.8Å; R281-E392 PolarHBondContact NH1-OE1 3.46Å; R281-Y396 VanDerWaalsContact CD-CB 3.45Å
282P97.6Very high95.6Very high2 Ų246.8 Ų46.81%0.01324%0.236CC..  trans-67.1138176.8-21.434.3000112.8L270 L273 V274 V284 V285 D286 Y346L270-P282 HydrophobicContact CD1-CG 3.18Å; L273-P282 HydrophobicContact CD2-CB 4.01Å; L273-P282 HydrophobicContact CD2-CG 4.36Å; V274-P282 HydrophobicContact CG2-CG 4.33Å; P282-V284 PolarHBondContact O-N 3.48Å; P282-V285 HydrophobicContact CB-CG2 4.11Å; P282-V285 HydrophobicContact CG-CG2 4.18Å; P282-V285 WeakPolarHBondContact O-CB 3.43Å; P282-V285 PolarHBondContact O-N 3Å; P282-D286 PolarHBondContact O-N 2.87Å; P282-Y346 HydrophobicContact CB-CE1 4.03Å; P282-Y346 WeakPolarHBondContact CB-OH 3.49Å; P282-Y346 HydrophobicContact CG-CE1 3.92Å; P282-Y346 WeakPolarHBondContact CG-OH 3.41Å
283M97Very high95.9Very high9 Ų947.6 Ų47.64%0.04424%0.238CC..Hα-helixtrans-55.3-33.917459.6-14846.100113.7V265 H277 V285 D286 M287 E324V265-M283 HydrophobicContact CG1-CG 4.42Å; V265-M283 HydrophobicContact CG1-SD 4.49Å; V265-M283 HydrophobicContact CG2-SD 4.34Å; H277-M283 HydrophobicContact CB-CE 4.28Å; M283-V285 VanDerWaalsContact C-N 3.29Å; M283-V285 PolarHBondContact O-N 2.69Å; M283-D286 PolarHBondContact O-N 3.18Å; M283-M287 HydrophobicContact CB-SD 4.43Å; M283-M287 VanDerWaalsContact O-CB 3.23Å; M283-M287 WeakPolarHBondContact O-CB 3.45Å; M283-M287 VanDerWaalsContact O-CG 3.24Å; M283-M287 WeakPolarHBondContact O-CG 3.22Å; M283-M287 PolarHBondContact O-N 3.35Å; M283-E324 HydrophobicContact CB-CG 3.89Å; M283-E324 HydrophobicContact CE-CG 3.91Å; M283-E324 HydrophobicContact CG-CG 4.38Å; M283-E324 HydrophobicContact SD-CG 3.92Å
284V98.3Very high96.1Very high0 Ų052 Ų520%027%0.269CS..Hα-helixtrans-59.6-43.6176.4-177.10000110.5V265 Y266 P282 C288 F319 Y346V265-V284 HydrophobicContact CG1-CG2 3.49Å; V265-V284 VanDerWaalsContact CG1-CG2 3.49Å; Y266-V284 HydrophobicContact CD2-CG2 4.39Å; Y266-V284 HydrophobicContact CE2-CG1 3.9Å; Y266-V284 HydrophobicContact CE2-CG2 3.87Å; Y266-V284 WeakPolarHBondContact OH-CG1 3.36Å; P282-V284 PolarHBondContact O-N 3.48Å; V284-C288 WeakPolarHBondContact O-CB 3.4Å; V284-C288 PolarHBondContact O-N 3.23Å; V284-C288 PolarHBondContact O-SG 3.35Å; V284-F319 HydrophobicContact CB-CE1 4.45Å; V284-F319 HydrophobicContact CB-CZ 4.47Å; V284-F319 HydrophobicContact CG1-CD2 4.1Å; V284-F319 HydrophobicContact CG1-CE2 3.94Å; V284-F319 HydrophobicContact CG1-CZ 4.23Å; V284-F319 HydrophobicContact CG2-CB 4.11Å; V284-F319 HydrophobicContact CG2-CD1 3.82Å; V284-F319 HydrophobicContact CG2-CD2 4.18Å; V284-F319 HydrophobicContact CG2-CE1 4.22Å; V284-F319 HydrophobicContact CG2-CG 3.79Å; V284-Y346 HydrophobicContact CB-CD2 3.91Å; V284-Y346 HydrophobicContact CB-CE2 4.2Å; V284-Y346 HydrophobicContact CB-CG 4.16Å; V284-Y346 HydrophobicContact CG1-CD2 3.88Å; V284-Y346 HydrophobicContact CG1-CG 3.85Å; V284-Y346 HydrophobicContact CG2-CD2 3.95Å; V284-Y346 HydrophobicContact CG2-CE2 4.07Å
285V98.6Very high96.3Very high0 Ų054.8 Ų54.80%028%0.278CS..Hα-helixtrans-67-49.5-179.6178.20000110.1P282 M283 I289 L343 Y346 F347 T393 Y396P282-V285 HydrophobicContact CB-CG2 4.11Å; P282-V285 HydrophobicContact CG-CG2 4.18Å; P282-V285 WeakPolarHBondContact O-CB 3.43Å; P282-V285 PolarHBondContact O-N 3Å; M283-V285 VanDerWaalsContact C-N 3.29Å; M283-V285 PolarHBondContact O-N 2.69Å; V285-I289 HydrophobicContact CG1-CD1 3.71Å; V285-I289 VanDerWaalsContact O-CB 3.27Å; V285-I289 WeakPolarHBondContact O-CB 3.49Å; V285-I289 VanDerWaalsContact O-CG1 3.32Å; V285-I289 WeakPolarHBondContact O-CG1 3.3Å; V285-I289 PolarHBondContact O-N 3.02Å; V285-L343 HydrophobicContact CB-CD1 4.47Å; V285-L343 HydrophobicContact CG2-CD1 4.2Å; V285-Y346 HydrophobicContact CG2-CD1 3.86Å; V285-Y346 HydrophobicContact CG2-CE1 3.72Å; V285-F347 HydrophobicContact CG1-CZ 4.35Å; V285-F347 HydrophobicContact CG2-CE1 4.02Å; V285-F347 HydrophobicContact CG2-CZ 3.75Å; V285-T393 HydrophobicContact CG1-CG2 4.42Å; V285-T393 HydrophobicContact CG2-CG2 4.13Å; V285-Y396 HydrophobicContact CG1-CD1 4.1Å
286D98.4Very high96.5Very high47 Ų4747.4 Ų47.425%0.25125%0.246SC..Hα-helixtrans-63.5-43.5-179.7-72.3-36.1000112R281 P282 M283 R290 Y396R281-D286 IonicContact CZ-OD1 3.61Å; R281-D286 IonicContact NE-OD1 2.77Å; R281-D286 PolarHBondContact NE-OD1 2.87Å; R281-D286 IonicContact NH2-OD1 2.76Å; R281-D286 PolarHBondContact NH2-OD1 2.66Å; R281-D286 IonicContact NH2-OD2 3.1Å; P282-D286 PolarHBondContact O-N 2.87Å; M283-D286 PolarHBondContact O-N 3.18Å; D286-R290 VanDerWaalsContact O-CB 3.22Å; D286-R290 WeakPolarHBondContact O-CB 3.46Å; D286-R290 PolarHBondContact O-N 3.28Å; D286-R290 VanDerWaalsContact O-N 3.09Å; D286-Y396 WeakPolarHBondContact OD1-CE1 3.42Å
287M98.6Very high96.9Very high19 Ų1944.7 Ų44.79%0.09422%0.221CC..Hα-helixtrans-71.4-47.2-178.1-69.9175.962.700112.2M283 R290 E291 F319 E324 A326 I328M283-M287 HydrophobicContact CB-SD 4.43Å; M283-M287 VanDerWaalsContact O-CB 3.23Å; M283-M287 WeakPolarHBondContact O-CB 3.45Å; M283-M287 VanDerWaalsContact O-CG 3.24Å; M283-M287 WeakPolarHBondContact O-CG 3.22Å; M283-M287 PolarHBondContact O-N 3.35Å; M287-R290 PolarHBondContact O-N 2.82Å; M287-E291 PolarHBondContact O-N 3.06Å; M287-F319 HydrophobicContact CB-CE1 4.06Å; M287-F319 HydrophobicContact CB-CZ 4.05Å; M287-F319 HydrophobicContact CE-CE1 3.92Å; M287-F319 HydrophobicContact CE-CZ 4.49Å; M287-F319 HydrophobicContact CG-CE1 4.49Å; M287-F319 HydrophobicContact SD-CE1 3.75Å; M287-E324 WeakPolarHBondContact CE-O 3.43Å; M287-A326 HydrophobicContact CE-CB 4.45Å; M287-A326 VanDerWaalsContact CE-O 3.28Å; M287-A326 WeakPolarHBondContact CE-O 3.49Å; M287-I328 HydrophobicContact CB-CD1 3.98Å
288C98.8Very high97.3Very high0 Ų045.3 Ų45.30%023%0.227CC..Hα-helixtrans-63.4-45.5178.7-710000111.6V284 R290 E291 I292 I339 L343V284-C288 WeakPolarHBondContact O-CB 3.4Å; V284-C288 PolarHBondContact O-N 3.23Å; V284-C288 PolarHBondContact O-SG 3.35Å; C288-R290 VanDerWaalsContact C-N 3.34Å; C288-R290 PolarHBondContact O-N 3.33Å; C288-E291 PolarHBondContact O-N 2.85Å; C288-I292 HydrophobicContact CB-CD1 4.44Å; C288-I292 WeakPolarHBondContact O-CB 3.3Å; C288-I292 VanDerWaalsContact O-CD1 3.31Å; C288-I292 WeakPolarHBondContact O-CD1 3.4Å; C288-I292 WeakPolarHBondContact O-CG1 3.42Å; C288-I292 PolarHBondContact O-N 2.97Å; C288-I339 HydrophobicContact CB-CG2 3.89Å; C288-L343 HydrophobicContact CB-CB 3.97Å; C288-L343 HydrophobicContact CB-CD1 4.18Å; C288-L343 HydrophobicContact CB-CD2 4.27Å; C288-L343 HydrophobicContact CB-CG 4.37Å
289I98.8Very high97.5Very high0 Ų041 Ų410%020%0.202CC..Hα-helixtrans-60.7-45.2178-74.7175.5000110.4V285 E291 I292 E293 L343 Y396 L397 H400V285-I289 HydrophobicContact CG1-CD1 3.71Å; V285-I289 VanDerWaalsContact O-CB 3.27Å; V285-I289 WeakPolarHBondContact O-CB 3.49Å; V285-I289 VanDerWaalsContact O-CG1 3.32Å; V285-I289 WeakPolarHBondContact O-CG1 3.3Å; V285-I289 PolarHBondContact O-N 3.02Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.42Å; I289-I292 PolarHBondContact O-N 3.44Å; I289-E293 HydrophobicContact CG2-CG 4.24Å; I289-E293 WeakPolarHBondContact O-CB 3.42Å; I289-E293 WeakPolarHBondContact O-CG 3.46Å; I289-E293 PolarHBondContact O-N 3.13Å; I289-L343 HydrophobicContact CG1-CD2 3.84Å; I289-Y396 HydrophobicContact CB-CE1 4.15Å; I289-Y396 HydrophobicContact CD1-CD1 3.73Å; I289-Y396 HydrophobicContact CD1-CE1 3.75Å; I289-Y396 HydrophobicContact CG2-CE1 3.96Å; I289-L397 HydrophobicContact CD1-CD1 4.32Å; I289-H400 HydrophobicContact CD1-CB 3.94Å; I289-H400 HydrophobicContact CG1-CB 4.3Å; I289-H400 HydrophobicContact CG2-CB 3.92Å
290R98.6Very high97.7Very high152 Ų15244.8 Ų44.857%0.57422%0.216SC*.Hα-helixtrans-58.8-43.5177.5-179.9170.158.691.50.7112.4D286 M287 C288 S294D286-R290 VanDerWaalsContact O-CB 3.22Å; D286-R290 WeakPolarHBondContact O-CB 3.46Å; D286-R290 PolarHBondContact O-N 3.28Å; D286-R290 VanDerWaalsContact O-N 3.09Å; M287-R290 PolarHBondContact O-N 2.82Å; C288-R290 VanDerWaalsContact C-N 3.34Å; C288-R290 PolarHBondContact O-N 3.33Å; R290-S294 VanDerWaalsContact O-CB 3.32Å; R290-S294 WeakPolarHBondContact O-CB 3.36Å; R290-S294 PolarHBondContact O-N 3.36Å
291E98.4Very high97.9Very high27 Ų2737.3 Ų37.313%0.12618%0.184CC..Hα-helixtrans-66.9-43.9178-171.464.7-159.200111.5M287 C288 I289 E293 S294 R295 I328 V330 I339M287-E291 PolarHBondContact O-N 3.06Å; C288-E291 PolarHBondContact O-N 2.85Å; I289-E291 VanDerWaalsContact C-N 3.33Å; I289-E291 PolarHBondContact O-N 3.42Å; E291-E293 PolarHBondContact O-N 3.14Å; E291-S294 PolarHBondContact O-N 3.24Å; E291-R295 PolarHBondContact O-N 3.13Å; E291-R295 WeakPolarHBondContact OE1-CD 3.27Å; E291-R295 IonicContact OE1-CZ 2.72Å; E291-R295 IonicContact OE1-NE 2.77Å; E291-R295 PolarHBondContact OE1-NE 3.32Å; E291-R295 IonicContact OE1-NH2 3.18Å; E291-I328 HydrophobicContact CB-CD1 3.88Å; E291-I328 HydrophobicContact CB-CG1 4.46Å; E291-I328 HydrophobicContact CG-CD1 4.32Å; E291-I328 HydrophobicContact CG-CG1 4.45Å; E291-V330 PolarHBondContact OE1-N 2.91Å; E291-I339 HydrophobicContact CB-CG2 4.35Å; E291-I339 HydrophobicContact CG-CG1 4.39Å; E291-I339 HydrophobicContact CG-CG2 4.48Å
292I98.7Very high98Very high0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-63.9-42.8178.3-65.3158.8000111.4C288 I289 S294 G296 L302 Y303 I336 I339 T340 L343C288-I292 HydrophobicContact CB-CD1 4.44Å; C288-I292 WeakPolarHBondContact O-CB 3.3Å; C288-I292 VanDerWaalsContact O-CD1 3.31Å; C288-I292 WeakPolarHBondContact O-CD1 3.4Å; C288-I292 WeakPolarHBondContact O-CG1 3.42Å; C288-I292 PolarHBondContact O-N 2.97Å; I289-I292 PolarHBondContact O-N 3.44Å; I292-S294 VanDerWaalsContact C-N 3.3Å; I292-S294 PolarHBondContact O-N 3.36Å; I292-G296 WeakPolarHBondContact O-CA 3.47Å; I292-G296 PolarHBondContact O-N 3.27Å; I292-L302 HydrophobicContact CG2-CD1 4.26Å; I292-L302 HydrophobicContact CG2-CD2 3.96Å; I292-Y303 HydrophobicContact CD1-CE1 4.26Å; I292-Y303 WeakPolarHBondContact CD1-OH 3.37Å; I292-I336 HydrophobicContact CB-CD1 4.43Å; I292-I336 HydrophobicContact CG1-CD1 3.94Å; I292-I336 HydrophobicContact CG1-CG1 4.27Å; I292-I339 HydrophobicContact CD1-CG2 4.06Å; I292-I339 HydrophobicContact CG1-CB 4.24Å; I292-I339 HydrophobicContact CG1-CG2 3.86Å; I292-T340 HydrophobicContact CD1-CG2 3.85Å; I292-T340 HydrophobicContact CG1-CG2 4.04Å; I292-T340 HydrophobicContact CG2-CG2 4.38Å; I292-L343 HydrophobicContact CD1-CD2 4.07Å
293E98.5Very high98Very high45 Ų4535.7 Ų35.721%0.2118%0.177CC..Hα-helixtrans-67.6-31.8176.2-69.6-170.6172.900112.7I289 E291 R295 L297 H400 R403I289-E293 HydrophobicContact CG2-CG 4.24Å; I289-E293 WeakPolarHBondContact O-CB 3.42Å; I289-E293 WeakPolarHBondContact O-CG 3.46Å; I289-E293 PolarHBondContact O-N 3.13Å; E291-E293 PolarHBondContact O-N 3.14Å; E293-R295 PolarHBondContact O-N 3.11Å; E293-L297 HydrophobicContact CB-CD1 4.49Å; E293-L297 HydrophobicContact CG-CD2 4.26Å; E293-H400 VanDerWaalsContact CG-ND1 3.3Å; E293-H400 WeakPolarHBondContact CG-ND1 3.37Å; E293-H400 IonicContact OE1-CE1 2.65Å; E293-H400 IonicContact OE1-CG 2.58Å; E293-H400 IonicContact OE1-ND1 3.93Å; E293-H400 PolarHBondContact OE1-ND1 3.28Å; E293-R403 IonicContact OE1-NH1 3.7Å; E293-R403 IonicContact OE2-CZ 3.95Å; E293-R403 IonicContact OE2-NH1 2.62Å; E293-R403 PolarHBondContact OE2-NH1 3.13Å
294S98.1Very high98Very high97 Ų9741.3 Ų41.368%0.67820%0.198SC*.Hα-helixtrans-68.8-31.3-178.9-1730000113.5R290 E291 I292R290-S294 VanDerWaalsContact O-CB 3.32Å; R290-S294 WeakPolarHBondContact O-CB 3.36Å; R290-S294 PolarHBondContact O-N 3.36Å; E291-S294 PolarHBondContact O-N 3.24Å; I292-S294 VanDerWaalsContact C-N 3.3Å; I292-S294 PolarHBondContact O-N 3.36Å
295R97.3Very high97.9Very high75 Ų7544.2 Ų44.228%0.28322%0.216SC..Hα-helixtrans-141.6-9.3-172.667.2-177173.3104.9-7.5116.4E291 E293 Y333 E334 I336E291-R295 PolarHBondContact O-N 3.13Å; E291-R295 WeakPolarHBondContact OE1-CD 3.27Å; E291-R295 IonicContact OE1-CZ 2.72Å; E291-R295 IonicContact OE1-NE 2.77Å; E291-R295 PolarHBondContact OE1-NE 3.32Å; E291-R295 IonicContact OE1-NH2 3.18Å; E293-R295 PolarHBondContact O-N 3.11Å; R295-Y333 PolarHBondContact NH1-O 3.4Å; R295-Y333 PolarHBondContact NH2-O 3.48Å; R295-E334 PolarHBondContact NH1-O 2.8Å; R295-I336 HydrophobicContact CG-CD1 4.03Å
296G95.4Very high97.6Very high0 Ų048.5 Ų48.50%025%0.246CC..THydrogen-bonded Turntrans-108.7-13.1-165.800000116.7I292 N298 S299I292-G296 WeakPolarHBondContact O-CA 3.47Å; I292-G296 PolarHBondContact O-N 3.27Å; G296-N298 PolarHBondContact O-N 3.21Å; G296-N298 VanDerWaalsContact O-N 3.08Å; G296-S299 VanDerWaalsContact O-CB 3.24Å; G296-S299 WeakPolarHBondContact O-CB 3.25Å; G296-S299 PolarHBondContact O-N 2.81Å
297L98.1Very high97.5Very high21 Ų2146.6 Ų46.611%0.1124%0.237CC..THydrogen-bonded Turntrans-60.1-27.2-167.4-68.1178.7000115E293 R403 V404 H407 N411E293-L297 HydrophobicContact CB-CD1 4.49Å; E293-L297 HydrophobicContact CG-CD2 4.26Å; L297-R403 HydrophobicContact CD1-CG 4.07Å; L297-R403 HydrophobicContact CD2-CG 4.48Å; L297-V404 HydrophobicContact CD2-CG2 3.86Å; L297-H407 WeakPolarHBondContact O-CB 3.28Å; L297-N411 WeakPolarHBondContact O-CB 3.48Å; L297-N411 PolarHBondContact O-ND2 3.45Å
298N97.9Very high97.3Very high93 Ų9352.8 Ų52.850%0.49726%0.264SS..THydrogen-bonded Turntrans-97.82.4178.6-60.8-29.8000113.2G296 E300 H407 E410G296-N298 PolarHBondContact O-N 3.21Å; G296-N298 VanDerWaalsContact O-N 3.08Å; N298-E300 PolarHBondContact O-N 3.43Å; N298-H407 PolarHBondContact OD1-CD2 3.45Å; N298-E410 HydrophobicContact CB-CB 3.99Å; N298-E410 HydrophobicContact CB-CG 4.47Å
299S97.9Very high96.9Very high38 Ų3857.1 Ų57.127%0.26629%0.294SS..SBendtrans-68.5124.3179.6-175.30000110.2G296 G301 L302 N411G296-S299 VanDerWaalsContact O-CB 3.24Å; G296-S299 WeakPolarHBondContact O-CB 3.25Å; G296-S299 PolarHBondContact O-N 2.81Å; S299-G301 PolarHBondContact O-N 3.22Å; S299-L302 PolarHBondContact O-N 3.16Å; S299-N411 WeakPolarHBondContact O-CB 3.47Å
300E97.8Very high96.6Very high127 Ų12763.4 Ų63.459%0.59333%0.328SS*.THydrogen-bonded Turntrans-56131.5178.4-166.1-174.6145.200111.5N298 L302 L412N298-E300 PolarHBondContact O-N 3.43Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 2.93Å; E300-L412 HydrophobicContact CG-CD1 3.8Å; E300-L412 HydrophobicContact CG-CG 4.19Å
301G97Very high96.5Very high0 Ų059 Ų590%032%0.315CS..THydrogen-bonded Turntrans66.727.8178.100000114.5S299 Y303 R304 V305 N411S299-G301 PolarHBondContact O-N 3.22Å; G301-Y303 PolarHBondContact O-N 3.37Å; G301-R304 WeakPolarHBondContact O-CA 3.39Å; G301-R304 WeakPolarHBondContact O-CB 3.14Å; G301-R304 PolarHBondContact O-N 3.43Å; G301-V305 PolarHBondContact O-N 2.96Å; G301-N411 PolarHBondContact N-O 3.34Å
302L98.2Very high96.4Very high0 Ų058.6 Ų58.60%031%0.314CS..THydrogen-bonded Turntrans-47.9133.9178-167.870.3000111.8I292 S299 E300 R304 I336 T340 V404 M413I292-L302 HydrophobicContact CG2-CD1 4.26Å; I292-L302 HydrophobicContact CG2-CD2 3.96Å; S299-L302 PolarHBondContact O-N 3.16Å; E300-L302 VanDerWaalsContact C-N 3.32Å; E300-L302 PolarHBondContact O-N 2.93Å; L302-R304 PolarHBondContact O-N 3.25Å; L302-I336 HydrophobicContact CD1-CG1 4.48Å; L302-I336 HydrophobicContact CD1-CG2 4.19Å; L302-T340 HydrophobicContact CD1-CG2 3.56Å; L302-T340 HydrophobicContact CG-CG2 4.13Å; L302-V404 HydrophobicContact CD2-CG1 3.97Å; L302-V404 HydrophobicContact CD2-CG2 3.92Å; L302-M413 WeakPolarHBondContact O-CE 3.44Å; L302-M413 WeakPolarHBondContact O-CG 3.46Å
303Y98.3Very high96.1Very high0 Ų061.1 Ų61.10%033%0.326CS..THydrogen-bonded Turntrans66.9-25.8-170.5-64.6-72.6000116.7I292 G301 T340 L343 K344 H400 L401 V404 L418 V421 F422I292-Y303 HydrophobicContact CD1-CE1 4.26Å; I292-Y303 WeakPolarHBondContact CD1-OH 3.37Å; G301-Y303 PolarHBondContact O-N 3.37Å; Y303-T340 HydrophobicContact CD1-CG2 3.91Å; Y303-T340 HydrophobicContact CE1-CG2 3.83Å; Y303-T340 HydrophobicContact CG-CG2 4.32Å; Y303-L343 HydrophobicContact CE1-CD2 4.15Å; Y303-L343 WeakPolarHBondContact OH-CD2 3.5Å; Y303-K344 HydrophobicContact CD1-CD 4.27Å; Y303-K344 HydrophobicContact CD1-CG 4.19Å; Y303-K344 PolarHBondContact O-NZ 3.44Å; Y303-H400 AromaticContact CE2-NE2 3.52Å; Y303-H400 AromaticContact CZ-NE2 3.52Å; Y303-H400 PolarHBondContact OH-CD2 2.87Å; Y303-H400 PolarHBondContact OH-NE2 3.28Å; Y303-L401 HydrophobicContact CD2-CD2 4.04Å; Y303-L401 HydrophobicContact CE2-CD2 3.65Å; Y303-V404 HydrophobicContact CE2-CG2 4.24Å; Y303-L418 HydrophobicContact CD2-CD2 3.92Å; Y303-L418 HydrophobicContact CG-CD2 4.41Å; Y303-V421 WeakPolarHBondContact O-CG1 3.5Å; Y303-F422 AromaticContact CD1-CE2 3.67Å; Y303-F422 HydrophobicContact CD1-CE2 3.67Å; Y303-F422 AromaticContact CD1-CZ 3.54Å; Y303-F422 HydrophobicContact CD1-CZ 3.54Å; Y303-F422 HydrophobicContact CD2-CE2 4.02Å; Y303-F422 HydrophobicContact CD2-CZ 4.49Å; Y303-F422 HydrophobicContact CE1-CE2 4.09Å; Y303-F422 AromaticContact CE1-CZ 3.62Å; Y303-F422 HydrophobicContact CE1-CZ 3.62Å; Y303-F422 HydrophobicContact CE2-CE2 4.39Å; Y303-F422 AromaticContact CG-CE2 3.64Å; Y303-F422 HydrophobicContact CG-CE2 3.64Å; Y303-F422 HydrophobicContact CG-CZ 4.02Å
304R97.1Very high95.9Very high126 Ų12662.5 Ų62.548%0.47533%0.334SS..THydrogen-bonded Turntrans-79.1-46.1174.4-176.5178.868-173.1-0.7111.6G301 L302 M413 V421G301-R304 WeakPolarHBondContact O-CA 3.39Å; G301-R304 WeakPolarHBondContact O-CB 3.14Å; G301-R304 PolarHBondContact O-N 3.43Å; L302-R304 PolarHBondContact O-N 3.25Å; R304-M413 HydrophobicContact CB-CE 3.9Å; R304-M413 HydrophobicContact CB-SD 3.89Å; R304-V421 HydrophobicContact CB-CG2 4.37Å
305V95.9Very high95.9Very high62 Ų6257.9 Ų57.938%0.37630%0.302SS..SBendtrans-69.7138.6175.5179.80000109.3G301 N337G301-V305 PolarHBondContact O-N 2.96Å; V305-N337 HydrophobicContact CG1-CB 4.41Å
306S92.7Very high95.8Very high89 Ų8955.9 Ų55.962%0.62230%0.295SS*.  trans-103.5129.6178.9-66.60000110.3
307G94.5Very high95.6Very high7 Ų756.8 Ų56.87%0.07230%0.3CS..  trans-72176.3166.900000111.6S309 N337G307-S309 PolarHBondContact O-N 2.89Å; G307-N337 PolarHBondContact N-O 2.89Å
308F94.4Very high95.4Very high150 Ų15056 Ų5666%0.65830%0.297SS*.  trans-61.3126.3177.4-67.5-72.6000111.7D310 L311 I312F308-D310 VanDerWaalsContact C-N 3.3Å; F308-D310 PolarHBondContact O-N 3.16Å; F308-L311 HydrophobicContact CB-CB 4.4Å; F308-L311 HydrophobicContact CB-CD1 4.21Å; F308-L311 HydrophobicContact CB-CG 4.25Å; F308-L311 HydrophobicContact CD2-CD1 4.28Å; F308-L311 PolarHBondContact O-N 2.95Å; F308-L311 VanDerWaalsContact O-N 3.13Å; F308-I312 WeakPolarHBondContact O-CG1 3.19Å; F308-I312 PolarHBondContact O-N 3.5Å
309S91.8Very high95.4Very high91 Ų9151.6 Ų51.664%0.63627%0.273SS*.Hα-helixtrans-58.8-39-175.7-55.90000113.2G307 L311 I312 E313G307-S309 PolarHBondContact O-N 2.89Å; S309-L311 VanDerWaalsContact C-N 3.35Å; S309-L311 PolarHBondContact O-N 2.9Å; S309-I312 WeakPolarHBondContact O-CB 3.43Å; S309-I312 PolarHBondContact O-N 2.96Å; S309-E313 PolarHBondContact O-N 3.26Å
310D92.6Very high95.1Very high131 Ų13150 Ų5070%0.70126%0.261SS*.Hα-helixtrans-62-42.7178.2-62.4-14.1000111.4F308 I312 E313 D314F308-D310 VanDerWaalsContact C-N 3.3Å; F308-D310 PolarHBondContact O-N 3.16Å; D310-I312 VanDerWaalsContact C-N 3.33Å; D310-I312 PolarHBondContact O-N 3.32Å; D310-E313 PolarHBondContact O-N 3.4Å; D310-D314 PolarHBondContact O-N 2.8Å
311L95.8Very high94.7Very high60 Ų6050.7 Ų50.731%0.31426%0.259SS..Hα-helixtrans-71.7-28.6178.4-62.6179.3000112.5F308 S309 D314 V315 Y333 I338F308-L311 HydrophobicContact CB-CB 4.4Å; F308-L311 HydrophobicContact CB-CD1 4.21Å; F308-L311 HydrophobicContact CB-CG 4.25Å; F308-L311 HydrophobicContact CD2-CD1 4.28Å; F308-L311 PolarHBondContact O-N 2.95Å; F308-L311 VanDerWaalsContact O-N 3.13Å; S309-L311 VanDerWaalsContact C-N 3.35Å; S309-L311 PolarHBondContact O-N 2.9Å; L311-D314 WeakPolarHBondContact O-CB 3.23Å; L311-D314 PolarHBondContact O-N 2.89Å; L311-V315 WeakPolarHBondContact O-CG2 3.18Å; L311-V315 PolarHBondContact O-N 3.23Å; L311-Y333 HydrophobicContact CB-CD1 4.49Å; L311-Y333 HydrophobicContact CB-CE1 4.43Å; L311-I338 HydrophobicContact CB-CD1 3.85Å; L311-I338 HydrophobicContact CB-CG1 4.16Å; L311-I338 HydrophobicContact CB-CG2 3.92Å; L311-I338 HydrophobicContact CD1-CD1 3.5Å; L311-I338 HydrophobicContact CD1-CG1 4.47Å; L311-I338 HydrophobicContact CG-CD1 4.33Å
312I96.5Very high94.5Very high18 Ų1853.8 Ų53.89%0.09228%0.275CS..Hα-helixtrans-66.3-44.2172.8-69166.4000110.3F308 S309 D310 D314 V315 K316 I338 A342 L345F308-I312 WeakPolarHBondContact O-CG1 3.19Å; F308-I312 PolarHBondContact O-N 3.5Å; S309-I312 WeakPolarHBondContact O-CB 3.43Å; S309-I312 PolarHBondContact O-N 2.96Å; D310-I312 VanDerWaalsContact C-N 3.33Å; D310-I312 PolarHBondContact O-N 3.32Å; I312-D314 VanDerWaalsContact C-N 3.32Å; I312-V315 PolarHBondContact O-N 3.25Å; I312-K316 PolarHBondContact O-N 2.97Å; I312-K316 VanDerWaalsContact O-N 3.14Å; I312-I338 HydrophobicContact CG1-CG2 4.18Å; I312-A342 HydrophobicContact CG2-CB 4.39Å; I312-L345 HydrophobicContact CG2-CB 4.25Å; I312-L345 HydrophobicContact CG2-CD2 3.74Å
313E93.1Very high94.2Very high54 Ų5454.5 Ų54.525%0.25228%0.282SS..Hα-helixtrans-65.9-35.4174.2-68.8-66.2161.500111.4S309 D310 V315 K316 M317S309-E313 PolarHBondContact O-N 3.26Å; D310-E313 PolarHBondContact O-N 3.4Å; E313-V315 PolarHBondContact O-N 3.08Å; E313-K316 WeakPolarHBondContact O-CB 3.38Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-K316 IonicContact OE1-NZ 3.88Å; E313-K316 WeakPolarHBondContact OE2-CD 3.47Å; E313-K316 IonicContact OE2-NZ 3.69Å; E313-K316 PolarHBondContact OE2-NZ 2.89Å; E313-M317 WeakPolarHBondContact O-CG 3.4Å; E313-M317 PolarHBondContact O-N 2.79Å
314D94.7Very high94Very high73 Ų7360.6 Ų60.639%0.3931%0.311SS..Hα-helixtrans-60.2-42.8173.3-73.8-14.6000112.1D310 L311 I312 M317 A318 Y333D310-D314 PolarHBondContact O-N 2.8Å; L311-D314 WeakPolarHBondContact O-CB 3.23Å; L311-D314 PolarHBondContact O-N 2.89Å; I312-D314 VanDerWaalsContact C-N 3.32Å; D314-M317 PolarHBondContact O-N 2.98Å; D314-A318 PolarHBondContact O-N 2.91Å; D314-Y333 HydrophobicContact CB-CE1 4.45Å
315V97.4Very high93.9Very high0 Ų063.6 Ų63.60%033%0.327CS..Hα-helixtrans-62.5-44.4175.41710000111L311 I312 E313 M317 A318 F319 I328 Y333 I338 I339 A342L311-V315 WeakPolarHBondContact O-CG2 3.18Å; L311-V315 PolarHBondContact O-N 3.23Å; I312-V315 PolarHBondContact O-N 3.25Å; E313-V315 PolarHBondContact O-N 3.08Å; V315-M317 VanDerWaalsContact C-N 3.32Å; V315-M317 PolarHBondContact O-N 3.42Å; V315-A318 WeakPolarHBondContact O-CB 3.38Å; V315-A318 PolarHBondContact O-N 3.23Å; V315-A318 VanDerWaalsContact O-N 3.16Å; V315-F319 HydrophobicContact CG1-CD2 3.84Å; V315-F319 HydrophobicContact CG1-CE2 3.64Å; V315-F319 VanDerWaalsContact O-CD2 3.31Å; V315-F319 WeakPolarHBondContact O-CD2 3.3Å; V315-F319 PolarHBondContact O-N 2.84Å; V315-I328 HydrophobicContact CG1-CG2 3.9Å; V315-Y333 HydrophobicContact CG2-CD1 4Å; V315-Y333 HydrophobicContact CG2-CD2 3.93Å; V315-Y333 HydrophobicContact CG2-CE1 3.66Å; V315-Y333 HydrophobicContact CG2-CE2 3.57Å; V315-Y333 HydrophobicContact CG2-CG 4.12Å; V315-Y333 VanDerWaalsContact CG2-CZ 3.42Å; V315-I338 HydrophobicContact CG2-CG2 3.78Å; V315-I339 HydrophobicContact CG2-CD1 4.17Å; V315-A342 HydrophobicContact CB-CB 3.89Å; V315-A342 HydrophobicContact CG1-CB 3.47Å; V315-A342 VanDerWaalsContact CG1-CB 3.47Å
316K95.1Very high93.9Very high33 Ų3360.9 Ų60.914%0.14331%0.312CS..Hα-helixtrans-58.1-45.4174.8159.2172.4164.8-168.70111.6Y266 I312 E313 A318 F319 D320 L345 D349Y266-K316 HydrophobicContact CD1-CB 4.15Å; Y266-K316 HydrophobicContact CD1-CD 3.54Å; Y266-K316 HydrophobicContact CD1-CG 3.71Å; Y266-K316 HydrophobicContact CD2-CB 4.15Å; Y266-K316 HydrophobicContact CD2-CG 3.77Å; Y266-K316 HydrophobicContact CE1-CB 3.92Å; Y266-K316 HydrophobicContact CE1-CD 3.99Å; Y266-K316 HydrophobicContact CE1-CG 4.02Å; Y266-K316 HydrophobicContact CE2-CB 3.97Å; Y266-K316 HydrophobicContact CE2-CG 4.13Å; Y266-K316 HydrophobicContact CG-CB 4.25Å; Y266-K316 HydrophobicContact CG-CD 3.82Å; Y266-K316 HydrophobicContact CG-CG 3.56Å; I312-K316 PolarHBondContact O-N 2.97Å; I312-K316 VanDerWaalsContact O-N 3.14Å; E313-K316 WeakPolarHBondContact O-CB 3.38Å; E313-K316 PolarHBondContact O-N 3.42Å; E313-K316 IonicContact OE1-NZ 3.88Å; E313-K316 WeakPolarHBondContact OE2-CD 3.47Å; E313-K316 IonicContact OE2-NZ 3.69Å; E313-K316 PolarHBondContact OE2-NZ 2.89Å; K316-A318 VanDerWaalsContact C-N 3.31Å; K316-A318 PolarHBondContact O-N 3.18Å; K316-F319 PolarHBondContact O-N 3.33Å; K316-D320 PolarHBondContact O-N 3.33Å; K316-L345 HydrophobicContact CB-CD2 4.3Å; K316-L345 HydrophobicContact CD-CD2 3.68Å; K316-L345 HydrophobicContact CD-CG 4.36Å; K316-D349 WeakPolarHBondContact CE-OD2 3.37Å; K316-D349 IonicContact NZ-OD2 2.6Å; K316-D349 PolarHBondContact NZ-OD2 3.41Å
317M91.6Very high94.1Very high20 Ų2060.8 Ų60.810%0.09930%0.304CS..Hα-helixtrans-62.1-38.3175.4-73.9-177.862.700112.5Y148 L151 N152 E313 D314 V315 D320 R321Y148-M317 HydrophobicContact CD1-CE 4.3Å; Y148-M317 HydrophobicContact CD1-CG 4.18Å; Y148-M317 HydrophobicContact CE1-CG 4.16Å; L151-M317 HydrophobicContact CB-CE 4.21Å; L151-M317 HydrophobicContact CB-SD 3.57Å; L151-M317 VanDerWaalsContact CB-SD 3.57Å; L151-M317 HydrophobicContact CD1-CG 4.18Å; L151-M317 HydrophobicContact CD1-SD 3.73Å; L151-M317 HydrophobicContact CG-SD 4.19Å; N152-M317 VanDerWaalsContact OD1-CE 3.31Å; N152-M317 WeakPolarHBondContact OD1-CE 3.42Å; E313-M317 WeakPolarHBondContact O-CG 3.4Å; E313-M317 PolarHBondContact O-N 2.79Å; D314-M317 PolarHBondContact O-N 2.98Å; V315-M317 VanDerWaalsContact C-N 3.32Å; V315-M317 PolarHBondContact O-N 3.42Å; M317-D320 PolarHBondContact O-N 3.1Å; M317-R321 VanDerWaalsContact O-CB 3.29Å; M317-R321 WeakPolarHBondContact O-CB 3.48Å; M317-R321 PolarHBondContact O-N 3.15Å
318A94.4Very high94.2Very high5 Ų560.8 Ų60.84%0.04130%0.302CS..Hα-helixtrans-60.9-45175.300000111.1D314 V315 K316 R321 D322 A326D314-A318 PolarHBondContact O-N 2.91Å; V315-A318 WeakPolarHBondContact O-CB 3.38Å; V315-A318 PolarHBondContact O-N 3.23Å; V315-A318 VanDerWaalsContact O-N 3.16Å; K316-A318 VanDerWaalsContact C-N 3.31Å; K316-A318 PolarHBondContact O-N 3.18Å; A318-R321 PolarHBondContact O-N 3.36Å; A318-D322 WeakPolarHBondContact O-CA 3.44Å; A318-D322 WeakPolarHBondContact O-CB 3.39Å; A318-D322 PolarHBondContact O-N 2.85Å; A318-A326 HydrophobicContact CB-CB 4.09Å
319F96.1Very high94.3Very high0 Ų055.1 Ų55.10%028%0.281CS..Hα-helixtrans-63.8-43.3174.9-80.6-65.6000113.4V265 Y266 V284 M287 V315 K316 R321 G323 A326 I328V265-F319 WeakPolarHBondContact CG2-O 3.15Å; Y266-F319 HydrophobicContact CD2-CB 4.25Å; Y266-F319 HydrophobicContact CE2-CB 3.87Å; Y266-F319 AromaticContact CE2-CD2 3.93Å; Y266-F319 HydrophobicContact CE2-CD2 3.93Å; Y266-F319 HydrophobicContact CE2-CG 4.21Å; V284-F319 HydrophobicContact CB-CE1 4.45Å; V284-F319 HydrophobicContact CB-CZ 4.47Å; V284-F319 HydrophobicContact CG1-CD2 4.1Å; V284-F319 HydrophobicContact CG1-CE2 3.94Å; V284-F319 HydrophobicContact CG1-CZ 4.23Å; V284-F319 HydrophobicContact CG2-CB 4.11Å; V284-F319 HydrophobicContact CG2-CD1 3.82Å; V284-F319 HydrophobicContact CG2-CD2 4.18Å; V284-F319 HydrophobicContact CG2-CE1 4.22Å; V284-F319 HydrophobicContact CG2-CG 3.79Å; M287-F319 HydrophobicContact CB-CE1 4.06Å; M287-F319 HydrophobicContact CB-CZ 4.05Å; M287-F319 HydrophobicContact CE-CE1 3.92Å; M287-F319 HydrophobicContact CE-CZ 4.49Å; M287-F319 HydrophobicContact CG-CE1 4.49Å; M287-F319 HydrophobicContact SD-CE1 3.75Å; V315-F319 HydrophobicContact CG1-CD2 3.84Å; V315-F319 HydrophobicContact CG1-CE2 3.64Å; V315-F319 VanDerWaalsContact O-CD2 3.31Å; V315-F319 WeakPolarHBondContact O-CD2 3.3Å; V315-F319 PolarHBondContact O-N 2.84Å; K316-F319 PolarHBondContact O-N 3.33Å; F319-R321 VanDerWaalsContact C-N 3.28Å; F319-R321 PolarHBondContact O-N 3.01Å; F319-G323 WeakPolarHBondContact O-CA 3.46Å; F319-G323 PolarHBondContact O-N 3.02Å; F319-A326 HydrophobicContact CD1-CB 3.87Å; F319-A326 HydrophobicContact CE1-CB 4.17Å; F319-A326 HydrophobicContact CG-CB 4.26Å; F319-I328 HydrophobicContact CE2-CG2 3.94Å; F319-I328 HydrophobicContact CZ-CD1 4.16Å; F319-I328 HydrophobicContact CZ-CG2 4Å
320D92.5Very high94.4Very high3 Ų354.1 Ų54.12%0.01627%0.271CS..Hα-helixtrans-67.2-30-179.4-71.8-29.4000113.4Y148 V262 K263 V265 Y266 K316 M317Y148-D320 HydrophobicContact CE1-CB 4.01Å; Y148-D320 WeakPolarHBondContact OH-CB 3.37Å; Y148-D320 PolarHBondContact OH-OD2 2.91Å; V262-D320 HydrophobicContact CG1-CB 4.25Å; V262-D320 VanDerWaalsContact CG1-O 3.3Å; V262-D320 WeakPolarHBondContact CG1-O 3.04Å; K263-D320 CarbonylContact C-O 3.49Å; K263-D320 PolarHBondContact N-O 3.44Å; V265-D320 WeakPolarHBondContact CA-OD1 3.44Å; V265-D320 PolarHBondContact N-OD1 2.91Å; Y266-D320 PolarHBondContact N-OD1 2.9Å; K316-D320 PolarHBondContact O-N 3.33Å; M317-D320 PolarHBondContact O-N 3.1Å
321R89.8Confident94.5Very high143 Ų14354.9 Ų54.954%0.5428%0.275SS..Hα-helixtrans-86.4-50.1179-174.9-174.259.5-123.1-5.4112M317 A318 F319M317-R321 VanDerWaalsContact O-CB 3.29Å; M317-R321 WeakPolarHBondContact O-CB 3.48Å; M317-R321 PolarHBondContact O-N 3.15Å; A318-R321 PolarHBondContact O-N 3.36Å; F319-R321 VanDerWaalsContact C-N 3.28Å; F319-R321 PolarHBondContact O-N 3.01Å
322D92.1Very high94.5Very high64 Ų6457.4 Ų57.434%0.34229%0.287SS..Hα-helixtrans-105.2-12.2-166-54.4-38.6000112.9A318 E324 K325 A326A318-D322 WeakPolarHBondContact O-CA 3.44Å; A318-D322 WeakPolarHBondContact O-CB 3.39Å; A318-D322 PolarHBondContact O-N 2.85Å; D322-E324 PolarHBondContact O-N 2.97Å; D322-K325 HydrophobicContact CB-CB 4.39Å; D322-K325 WeakPolarHBondContact O-CB 3.43Å; D322-K325 PolarHBondContact O-N 3.13Å; D322-K325 VanDerWaalsContact O-N 3.07Å; D322-A326 HydrophobicContact CB-CB 4.36Å
323G92.9Very high94.6Very high15 Ų1557 Ų5716%0.15528%0.284CS..G310 helixtrans58.4-127.6179.600000112F319 K325 A326F319-G323 WeakPolarHBondContact O-CA 3.46Å; F319-G323 PolarHBondContact O-N 3.02Å; G323-K325 PolarHBondContact O-N 3.49Å; G323-K325 VanDerWaalsContact O-N 3.1Å; G323-A326 WeakPolarHBondContact O-CB 3.49Å; G323-A326 PolarHBondContact O-N 2.92Å; G323-A326 VanDerWaalsContact O-N 3.12Å
324E93.2Very high94.7Very high129 Ų12962.2 Ų62.260%0.60331%0.309SS*.G310 helixtrans-62.6-14.3177.3-65.5-174.9167.600114.2M283 M287 D322M283-E324 HydrophobicContact CB-CG 3.89Å; M283-E324 HydrophobicContact CE-CG 3.91Å; M283-E324 HydrophobicContact CG-CG 4.38Å; M283-E324 HydrophobicContact SD-CG 3.92Å; M287-E324 WeakPolarHBondContact CE-O 3.43Å; D322-E324 PolarHBondContact O-N 2.97Å
325K94.9Very high94.8Very high188 Ų18861.2 Ų61.282%0.81730%0.303SS*.G310 helixtrans-92.53178.4-58.8179.9-178.1178.20113.3D322 G323 D327D322-K325 HydrophobicContact CB-CB 4.39Å; D322-K325 WeakPolarHBondContact O-CB 3.43Å; D322-K325 PolarHBondContact O-N 3.13Å; D322-K325 VanDerWaalsContact O-N 3.07Å; G323-K325 PolarHBondContact O-N 3.49Å; G323-K325 VanDerWaalsContact O-N 3.1Å; K325-D327 PolarHBondContact O-N 3.47Å
326A96.2Very high94.9Very high6 Ų661.7 Ų61.75%0.0531%0.306CS..  trans-60.3128.4177.300000110.7M287 A318 F319 D322 G323 I328M287-A326 HydrophobicContact CE-CB 4.45Å; M287-A326 VanDerWaalsContact CE-O 3.28Å; M287-A326 WeakPolarHBondContact CE-O 3.49Å; A318-A326 HydrophobicContact CB-CB 4.09Å; F319-A326 HydrophobicContact CD1-CB 3.87Å; F319-A326 HydrophobicContact CE1-CB 4.17Å; F319-A326 HydrophobicContact CG-CB 4.26Å; D322-A326 HydrophobicContact CB-CB 4.36Å; G323-A326 WeakPolarHBondContact O-CB 3.49Å; G323-A326 PolarHBondContact O-N 2.92Å; G323-A326 VanDerWaalsContact O-N 3.12Å; A326-I328 PolarHBondContact O-N 3.5Å
327D95.9Very high95Very high87 Ų8760.8 Ų60.847%0.46530%0.302SS..  trans-85.7108.5175.3-172.9-2.2000109.7K325 S329 Y333K325-D327 PolarHBondContact O-N 3.47Å; D327-S329 WeakPolarHBondContact OD1-CB 3.28Å; D327-S329 PolarHBondContact OD1-N 2.98Å; D327-S329 PolarHBondContact OD1-OG 3Å; D327-Y333 WeakPolarHBondContact O-CE2 3.15Å
328I97.3Very high95.3Very high7 Ų760 Ų604%0.03630%0.299CS..  trans-114.617.6175.361.7164.3000112.1M287 E291 V315 F319 A326 I339M287-I328 HydrophobicContact CB-CD1 3.98Å; E291-I328 HydrophobicContact CB-CD1 3.88Å; E291-I328 HydrophobicContact CB-CG1 4.46Å; E291-I328 HydrophobicContact CG-CD1 4.32Å; E291-I328 HydrophobicContact CG-CG1 4.45Å; V315-I328 HydrophobicContact CG1-CG2 3.9Å; F319-I328 HydrophobicContact CE2-CG2 3.94Å; F319-I328 HydrophobicContact CZ-CD1 4.16Å; F319-I328 HydrophobicContact CZ-CG2 4Å; A326-I328 PolarHBondContact O-N 3.5Å; I328-I339 HydrophobicContact CB-CD1 4.02Å; I328-I339 HydrophobicContact CD1-CG2 4.47Å
329S95.6Very high95.5Very high31 Ų3159.8 Ų59.822%0.21730%0.297CS..SBendtrans-67162.4-175.167.90000112.3D327 N331 M332 Y333D327-S329 WeakPolarHBondContact OD1-CB 3.28Å; D327-S329 PolarHBondContact OD1-N 2.98Å; D327-S329 PolarHBondContact OD1-OG 3Å; S329-N331 PolarHBondContact O-N 2.87Å; S329-N331 VanDerWaalsContact O-N 3.11Å; S329-M332 PolarHBondContact O-N 2.91Å; S329-Y333 PolarHBondContact O-N 2.93Å
330V95.1Very high95.6Very high69 Ų6959.8 Ų59.842%0.41830%0.297SS..THydrogen-bonded Turntrans-51.7-30.9173.466.90000114.1E291 M332 Y333 E334E291-V330 PolarHBondContact OE1-N 2.91Å; V330-M332 VanDerWaalsContact C-N 3.32Å; V330-M332 PolarHBondContact O-N 3.21Å; V330-Y333 CarbonylContact O-C 3.51Å; V330-E334 WeakPolarHBondContact O-CA 3.3Å; V330-E334 PolarHBondContact O-N 2.75Å
331N94.9Very high95.9Very high147 Ų14760 Ų6079%0.78630%0.299SS*.THydrogen-bonded Turntrans-70-31179.9-67.5-22000112.5S329S329-N331 PolarHBondContact O-N 2.87Å; S329-N331 VanDerWaalsContact O-N 3.11Å
332M95.8Very high96.3Very high113 Ų11353.1 Ų53.156%0.55727%0.273SS*.THydrogen-bonded Turntrans-90.6-39.9179.2-171.164.3-177.400111.2S329 V330S329-M332 PolarHBondContact O-N 2.91Å; V330-M332 VanDerWaalsContact C-N 3.32Å; V330-M332 PolarHBondContact O-N 3.21Å
333Y97.1Very high96.6Very high11 Ų1150.1 Ų50.14%0.04326%0.257CS..  trans-131.991.1-178.4-56.9-78.1000110.5R295 L311 D314 V315 D327 S329 V330 I338 I339R295-Y333 PolarHBondContact NH1-O 3.4Å; R295-Y333 PolarHBondContact NH2-O 3.48Å; L311-Y333 HydrophobicContact CB-CD1 4.49Å; L311-Y333 HydrophobicContact CB-CE1 4.43Å; D314-Y333 HydrophobicContact CB-CE1 4.45Å; V315-Y333 HydrophobicContact CG2-CD1 4Å; V315-Y333 HydrophobicContact CG2-CD2 3.93Å; V315-Y333 HydrophobicContact CG2-CE1 3.66Å; V315-Y333 HydrophobicContact CG2-CE2 3.57Å; V315-Y333 HydrophobicContact CG2-CG 4.12Å; V315-Y333 VanDerWaalsContact CG2-CZ 3.42Å; D327-Y333 WeakPolarHBondContact O-CE2 3.15Å; S329-Y333 PolarHBondContact O-N 2.93Å; V330-Y333 CarbonylContact O-C 3.51Å; Y333-I338 HydrophobicContact CD1-CD1 4.19Å; Y333-I338 HydrophobicContact CD1-CG2 3.94Å; Y333-I338 HydrophobicContact CE1-CG2 4.49Å; Y333-I338 HydrophobicContact CG-CG2 4.41Å; Y333-I339 HydrophobicContact CD2-CD1 4.34Å; Y333-I339 HydrophobicContact CG-CD1 4.37Å
334E96.1Very high96.9Very high163 Ų16350.6 Ų50.676%0.76226%0.255SS*.  trans-61.8-46.2-178.1-65.9180-178.400112.1R295 V330 I336R295-E334 PolarHBondContact NH1-O 2.8Å; V330-E334 WeakPolarHBondContact O-CA 3.3Å; V330-E334 PolarHBondContact O-N 2.75Å; E334-I336 PolarHBondContact O-N 2.66Å
335D97.1Very high97Very high51 Ų5144.6 Ų44.627%0.27323%0.227SC..  trans-74.9116.7179.3176.219.7000111.6N337 I338D335-N337 PolarHBondContact O-N 3.22Å; D335-N337 VanDerWaalsContact OD1-CB 3.31Å; D335-N337 WeakPolarHBondContact OD1-CB 3.24Å; D335-N337 PolarHBondContact OD1-N 3.25Å; D335-N337 PolarHBondContact OD1-ND2 2.92Å; D335-I338 HydrophobicContact CB-CD1 3.89Å; D335-I338 HydrophobicContact CB-CG1 4.1Å; D335-I338 WeakPolarHBondContact O-CB 3.44Å; D335-I338 WeakPolarHBondContact O-CG1 3.18Å; D335-I338 PolarHBondContact O-N 3.37Å
336I98.1Very high97.2Very high11 Ų1135.7 Ų35.76%0.05619%0.188CC..Hα-helixtrans-66.3-22.1179-166.162.2000112.8I292 R295 L302 E334 I338 I339 T340I292-I336 HydrophobicContact CB-CD1 4.43Å; I292-I336 HydrophobicContact CG1-CD1 3.94Å; I292-I336 HydrophobicContact CG1-CG1 4.27Å; R295-I336 HydrophobicContact CG-CD1 4.03Å; L302-I336 HydrophobicContact CD1-CG1 4.48Å; L302-I336 HydrophobicContact CD1-CG2 4.19Å; E334-I336 PolarHBondContact O-N 2.66Å; I336-I338 PolarHBondContact O-N 3.5Å; I336-I339 HydrophobicContact CD1-CB 3.99Å; I336-I339 HydrophobicContact CD1-CG1 4Å; I336-I339 PolarHBondContact O-N 3.18Å; I336-T340 PolarHBondContact O-N 2.94Å
337N98.1Very high97.3Very high14 Ų1435.4 Ų35.48%0.07519%0.186CC..Hα-helixtrans-67.3-16.1177.9-58-60.1000112.8V305 G307 D335 T340 G341V305-N337 HydrophobicContact CG1-CB 4.41Å; G307-N337 PolarHBondContact N-O 2.89Å; D335-N337 PolarHBondContact O-N 3.22Å; D335-N337 VanDerWaalsContact OD1-CB 3.31Å; D335-N337 WeakPolarHBondContact OD1-CB 3.24Å; D335-N337 PolarHBondContact OD1-N 3.25Å; D335-N337 PolarHBondContact OD1-ND2 2.92Å; N337-T340 VanDerWaalsContact CA-OG1 3.31Å; N337-T340 WeakPolarHBondContact CA-OG1 3.49Å; N337-T340 PolarHBondContact O-OG1 3.09Å; N337-G341 WeakPolarHBondContact O-CA 3.42Å; N337-G341 PolarHBondContact O-N 3.3Å
338I98.4Very high97.2Very high4 Ų437 Ų372%0.02119%0.185CC..Hα-helixtrans-68.6-45.3168.3-58.8167.3000109.8L311 I312 V315 Y333 D335 I336 G341 A342L311-I338 HydrophobicContact CB-CD1 3.85Å; L311-I338 HydrophobicContact CB-CG1 4.16Å; L311-I338 HydrophobicContact CB-CG2 3.92Å; L311-I338 HydrophobicContact CD1-CD1 3.5Å; L311-I338 HydrophobicContact CD1-CG1 4.47Å; L311-I338 HydrophobicContact CG-CD1 4.33Å; I312-I338 HydrophobicContact CG1-CG2 4.18Å; V315-I338 HydrophobicContact CG2-CG2 3.78Å; Y333-I338 HydrophobicContact CD1-CD1 4.19Å; Y333-I338 HydrophobicContact CD1-CG2 3.94Å; Y333-I338 HydrophobicContact CE1-CG2 4.49Å; Y333-I338 HydrophobicContact CG-CG2 4.41Å; D335-I338 HydrophobicContact CB-CD1 3.89Å; D335-I338 HydrophobicContact CB-CG1 4.1Å; D335-I338 WeakPolarHBondContact O-CB 3.44Å; D335-I338 WeakPolarHBondContact O-CG1 3.18Å; D335-I338 PolarHBondContact O-N 3.37Å; I336-I338 PolarHBondContact O-N 3.5Å; I338-G341 PolarHBondContact O-N 3.21Å; I338-A342 WeakPolarHBondContact O-CB 3.36Å; I338-A342 PolarHBondContact O-N 2.9Å
339I98.6Very high97.1Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-72-41.5-178.5-49.2-51.2000111C288 E291 I292 V315 I328 Y333 I336 G341 A342 L343C288-I339 HydrophobicContact CB-CG2 3.89Å; E291-I339 HydrophobicContact CB-CG2 4.35Å; E291-I339 HydrophobicContact CG-CG1 4.39Å; E291-I339 HydrophobicContact CG-CG2 4.48Å; I292-I339 HydrophobicContact CD1-CG2 4.06Å; I292-I339 HydrophobicContact CG1-CB 4.24Å; I292-I339 HydrophobicContact CG1-CG2 3.86Å; V315-I339 HydrophobicContact CG2-CD1 4.17Å; I328-I339 HydrophobicContact CB-CD1 4.02Å; I328-I339 HydrophobicContact CD1-CG2 4.47Å; Y333-I339 HydrophobicContact CD2-CD1 4.34Å; Y333-I339 HydrophobicContact CG-CD1 4.37Å; I336-I339 HydrophobicContact CD1-CB 3.99Å; I336-I339 HydrophobicContact CD1-CG1 4Å; I336-I339 PolarHBondContact O-N 3.18Å; I339-G341 VanDerWaalsContact C-N 3.29Å; I339-G341 PolarHBondContact O-N 3.24Å; I339-A342 PolarHBondContact O-N 3.44Å; I339-L343 PolarHBondContact O-N 2.95Å
340T98.5Very high97.1Very high0 Ų035.9 Ų35.90%018%0.177CC..Hα-helixtrans-63.5-38.8172.566.10000111.1I292 L302 Y303 I336 N337 L343 K344I292-T340 HydrophobicContact CD1-CG2 3.85Å; I292-T340 HydrophobicContact CG1-CG2 4.04Å; I292-T340 HydrophobicContact CG2-CG2 4.38Å; L302-T340 HydrophobicContact CD1-CG2 3.56Å; L302-T340 HydrophobicContact CG-CG2 4.13Å; Y303-T340 HydrophobicContact CD1-CG2 3.91Å; Y303-T340 HydrophobicContact CE1-CG2 3.83Å; Y303-T340 HydrophobicContact CG-CG2 4.32Å; I336-T340 PolarHBondContact O-N 2.94Å; N337-T340 VanDerWaalsContact CA-OG1 3.31Å; N337-T340 WeakPolarHBondContact CA-OG1 3.49Å; N337-T340 PolarHBondContact O-OG1 3.09Å; T340-L343 PolarHBondContact O-N 3.38Å; T340-K344 WeakPolarHBondContact O-CB 3.44Å; T340-K344 WeakPolarHBondContact O-CE 3.49Å; T340-K344 VanDerWaalsContact O-CG 3.31Å; T340-K344 WeakPolarHBondContact O-CG 3.49Å; T340-K344 PolarHBondContact O-N 3.12Å
341G98.2Very high97.1Very high6 Ų632.7 Ų32.76%0.06216%0.158CC..Hα-helixtrans-58.3-47.717200000112.7N337 I338 I339 K344 L345N337-G341 WeakPolarHBondContact O-CA 3.42Å; N337-G341 PolarHBondContact O-N 3.3Å; I338-G341 PolarHBondContact O-N 3.21Å; I339-G341 VanDerWaalsContact C-N 3.29Å; I339-G341 PolarHBondContact O-N 3.24Å; G341-K344 PolarHBondContact O-N 3.02Å; G341-L345 VanDerWaalsContact O-CB 3.32Å; G341-L345 WeakPolarHBondContact O-CB 3.15Å; G341-L345 PolarHBondContact O-N 3.05Å
342A98.3Very high97.1Very high0 Ų026.1 Ų26.10%012%0.123CC..Hα-helixtrans-65.6-38.317900000112.6Y266 I312 V315 I338 I339 L345 Y346Y266-A342 PolarHBondContact OH-O 3.15Å; I312-A342 HydrophobicContact CG2-CB 4.39Å; V315-A342 HydrophobicContact CB-CB 3.89Å; V315-A342 HydrophobicContact CG1-CB 3.47Å; V315-A342 VanDerWaalsContact CG1-CB 3.47Å; I338-A342 WeakPolarHBondContact O-CB 3.36Å; I338-A342 PolarHBondContact O-N 2.9Å; I339-A342 PolarHBondContact O-N 3.44Å; A342-L345 PolarHBondContact O-N 3.38Å; A342-Y346 PolarHBondContact O-N 3.36Å
343L98.7Very high97.2Very high0 Ų020.8 Ų20.80%010%0.096CC..Hα-helixtrans-66.4-44.6174.2-178.158.2000111.7V285 C288 I289 I292 Y303 I339 T340 L345 Y346 F347V285-L343 HydrophobicContact CB-CD1 4.47Å; V285-L343 HydrophobicContact CG2-CD1 4.2Å; C288-L343 HydrophobicContact CB-CB 3.97Å; C288-L343 HydrophobicContact CB-CD1 4.18Å; C288-L343 HydrophobicContact CB-CD2 4.27Å; C288-L343 HydrophobicContact CB-CG 4.37Å; I289-L343 HydrophobicContact CG1-CD2 3.84Å; I292-L343 HydrophobicContact CD1-CD2 4.07Å; Y303-L343 HydrophobicContact CE1-CD2 4.15Å; Y303-L343 WeakPolarHBondContact OH-CD2 3.5Å; I339-L343 PolarHBondContact O-N 2.95Å; T340-L343 PolarHBondContact O-N 3.38Å; L343-L345 VanDerWaalsContact C-N 3.32Å; L343-L345 PolarHBondContact O-N 3.01Å; L343-Y346 WeakPolarHBondContact O-CB 3.31Å; L343-Y346 PolarHBondContact O-N 3.46Å; L343-F347 HydrophobicContact CD1-CD2 4.31Å; L343-F347 HydrophobicContact CD1-CE2 3.56Å; L343-F347 HydrophobicContact CD1-CZ 4.08Å; L343-F347 HydrophobicContact CG-CD2 4.41Å; L343-F347 HydrophobicContact CG-CE2 3.84Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 3.24Å
344K98Very high97.2Very high25 Ų2520.2 Ų20.211%0.1099%0.094CC..Hα-helixtrans-60.1-44.1173.3-72.6179.1-63.7176.90111.2Y303 T340 G341 Y346 F347 R348 V421 F422Y303-K344 HydrophobicContact CD1-CD 4.27Å; Y303-K344 HydrophobicContact CD1-CG 4.19Å; Y303-K344 PolarHBondContact O-NZ 3.44Å; T340-K344 WeakPolarHBondContact O-CB 3.44Å; T340-K344 WeakPolarHBondContact O-CE 3.49Å; T340-K344 VanDerWaalsContact O-CG 3.31Å; T340-K344 WeakPolarHBondContact O-CG 3.49Å; T340-K344 PolarHBondContact O-N 3.12Å; G341-K344 PolarHBondContact O-N 3.02Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 2.77Å; K344-F347 PolarHBondContact O-N 3.46Å; K344-R348 WeakPolarHBondContact O-CB 3.46Å; K344-R348 PolarHBondContact O-N 3.26Å; K344-V421 HydrophobicContact CD-CG1 3.7Å; K344-F422 HydrophobicContact CG-CE1 4.33Å; K344-F422 HydrophobicContact CG-CZ 4.24Å
345L96.4Very high97.3Very high4 Ų412.5 Ų12.52%0.0216%0.058CC..Hα-helixtrans-60.7-39.1177.1178.563.4000111.4Y266 I312 K316 G341 A342 L343 F347 R348 D349Y266-L345 HydrophobicContact CD1-CG 4.47Å; Y266-L345 HydrophobicContact CE1-CB 4.37Å; Y266-L345 HydrophobicContact CE1-CD2 4.4Å; Y266-L345 HydrophobicContact CE1-CG 4.11Å; I312-L345 HydrophobicContact CG2-CB 4.25Å; I312-L345 HydrophobicContact CG2-CD2 3.74Å; K316-L345 HydrophobicContact CB-CD2 4.3Å; K316-L345 HydrophobicContact CD-CD2 3.68Å; K316-L345 HydrophobicContact CD-CG 4.36Å; G341-L345 VanDerWaalsContact O-CB 3.32Å; G341-L345 WeakPolarHBondContact O-CB 3.15Å; G341-L345 PolarHBondContact O-N 3.05Å; A342-L345 PolarHBondContact O-N 3.38Å; L343-L345 VanDerWaalsContact C-N 3.32Å; L343-L345 PolarHBondContact O-N 3.01Å; L345-F347 PolarHBondContact O-N 3.37Å; L345-R348 VanDerWaalsContact CD1-NH2 3.33Å; L345-R348 PolarHBondContact O-N 3.33Å; L345-D349 WeakPolarHBondContact CD1-OD1 3.42Å; L345-D349 WeakPolarHBondContact O-CB 3.17Å; L345-D349 PolarHBondContact O-N 2.9Å
346Y98.3Very high97.3Very high0 Ų010.4 Ų10.40%05%0.047CC..Hα-helixtrans-57.3-50.5178176.8-100.2000111.7V265 Y266 L273 P282 V284 V285 A342 L343 K344 R348 D349 L350V265-Y346 HydrophobicContact CG1-CE2 4.49Å; Y266-Y346 HydrophobicContact CD1-CD2 4.08Å; Y266-Y346 HydrophobicContact CD2-CD2 4.18Å; Y266-Y346 HydrophobicContact CE1-CD2 4.08Å; Y266-Y346 HydrophobicContact CE1-CG 4.35Å; Y266-Y346 HydrophobicContact CE2-CD2 4.14Å; Y266-Y346 HydrophobicContact CG-CD2 4.14Å; L273-Y346 WeakPolarHBondContact CD2-OH 3.2Å; P282-Y346 HydrophobicContact CB-CE1 4.03Å; P282-Y346 WeakPolarHBondContact CB-OH 3.49Å; P282-Y346 HydrophobicContact CG-CE1 3.92Å; P282-Y346 WeakPolarHBondContact CG-OH 3.41Å; V284-Y346 HydrophobicContact CB-CD2 3.91Å; V284-Y346 HydrophobicContact CB-CE2 4.2Å; V284-Y346 HydrophobicContact CB-CG 4.16Å; V284-Y346 HydrophobicContact CG1-CD2 3.88Å; V284-Y346 HydrophobicContact CG1-CG 3.85Å; V284-Y346 HydrophobicContact CG2-CD2 3.95Å; V284-Y346 HydrophobicContact CG2-CE2 4.07Å; V285-Y346 HydrophobicContact CG2-CD1 3.86Å; V285-Y346 HydrophobicContact CG2-CE1 3.72Å; A342-Y346 PolarHBondContact O-N 3.36Å; L343-Y346 WeakPolarHBondContact O-CB 3.31Å; L343-Y346 PolarHBondContact O-N 3.46Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 2.77Å; Y346-R348 VanDerWaalsContact C-N 3.35Å; Y346-R348 PolarHBondContact O-N 3.28Å; Y346-D349 PolarHBondContact O-N 3.1Å; Y346-L350 HydrophobicContact CE1-CD2 4.18Å; Y346-L350 PolarHBondContact O-N 3.21Å
347F98.2Very high97.2Very high0 Ų010.1 Ų10.10%05%0.045CC..Hα-helixtrans-65.1-38.4177.9-66.5-60.1000112.6V285 L343 K344 L345 D349 L350 L354 T393 L397 F422 T425 L426V285-F347 HydrophobicContact CG1-CZ 4.35Å; V285-F347 HydrophobicContact CG2-CE1 4.02Å; V285-F347 HydrophobicContact CG2-CZ 3.75Å; L343-F347 HydrophobicContact CD1-CD2 4.31Å; L343-F347 HydrophobicContact CD1-CE2 3.56Å; L343-F347 HydrophobicContact CD1-CZ 4.08Å; L343-F347 HydrophobicContact CG-CD2 4.41Å; L343-F347 HydrophobicContact CG-CE2 3.84Å; L343-F347 WeakPolarHBondContact O-CD2 3.43Å; L343-F347 PolarHBondContact O-N 3.24Å; K344-F347 PolarHBondContact O-N 3.46Å; L345-F347 PolarHBondContact O-N 3.37Å; F347-D349 VanDerWaalsContact C-N 3.33Å; F347-D349 PolarHBondContact O-N 3.06Å; F347-L350 HydrophobicContact CD1-CD1 4.1Å; F347-L350 WeakPolarHBondContact O-CB 3.43Å; F347-L350 PolarHBondContact O-N 3.2Å; F347-L354 HydrophobicContact CD1-CB 4.33Å; F347-L354 HydrophobicContact CD1-CD2 4.07Å; F347-L354 HydrophobicContact CE1-CD1 4.48Å; F347-L354 HydrophobicContact CE1-CD2 3.79Å; F347-L354 HydrophobicContact CZ-CD2 4.42Å; F347-T393 HydrophobicContact CE1-CG2 3.9Å; F347-T393 HydrophobicContact CZ-CG2 4.39Å; F347-L397 HydrophobicContact CD2-CD2 4.42Å; F347-L397 HydrophobicContact CE2-CD1 4.02Å; F347-L397 HydrophobicContact CE2-CD2 3.75Å; F347-L397 HydrophobicContact CE2-CG 4.46Å; F347-L397 HydrophobicContact CZ-CD1 4.32Å; F347-L397 HydrophobicContact CZ-CD2 3.81Å; F347-L397 HydrophobicContact CZ-CG 4.47Å; F347-F422 HydrophobicContact CD2-CE1 4.43Å; F347-T425 HydrophobicContact CB-CG2 3.81Å; F347-L426 HydrophobicContact CB-CD2 4Å; F347-L426 HydrophobicContact CD1-CD2 4.15Å; F347-L426 HydrophobicContact CD2-CD2 4.07Å; F347-L426 HydrophobicContact CG-CD2 3.81Å
348R95.2Very high96.9Very high121 Ų12113.7 Ų13.746%0.4576%0.064SC..Hα-helixtrans-64.7-37.2177-171.7169.964.3-156.91.3112.4K344 L345 Y346 L350 R428K344-R348 WeakPolarHBondContact O-CB 3.46Å; K344-R348 PolarHBondContact O-N 3.26Å; L345-R348 VanDerWaalsContact CD1-NH2 3.33Å; L345-R348 PolarHBondContact O-N 3.33Å; Y346-R348 VanDerWaalsContact C-N 3.35Å; Y346-R348 PolarHBondContact O-N 3.28Å; R348-L350 VanDerWaalsContact C-N 3.33Å; R348-R428 PolarHBondContact O-NH1 2.97Å
349D94.6Very high96.8Very high14 Ų1413.5 Ų13.58%0.0756%0.063CC..Hα-helixtrans-78.8-12.5-179.6-80.73.4000113.4W16 Y266 S267 K316 L345 Y346 F347W16-D349 PolarHBondContact NE1-O 3.36Å; W16-D349 VanDerWaalsContact NE1-O 3.15Å; Y266-D349 HydrophobicContact CD1-CB 4.32Å; S267-D349 WeakPolarHBondContact CA-O 3.22Å; K316-D349 WeakPolarHBondContact CE-OD2 3.37Å; K316-D349 IonicContact NZ-OD2 2.6Å; K316-D349 PolarHBondContact NZ-OD2 3.41Å; L345-D349 WeakPolarHBondContact CD1-OD1 3.42Å; L345-D349 WeakPolarHBondContact O-CB 3.17Å; L345-D349 PolarHBondContact O-N 2.9Å; Y346-D349 PolarHBondContact O-N 3.1Å; F347-D349 VanDerWaalsContact C-N 3.33Å; F347-D349 PolarHBondContact O-N 3.06Å
350L95.8Very high96.7Very high0 Ų013.8 Ų13.80%07%0.065CC..  trans-57.2133.6174.4-70.4178000110C268 L270 Y346 F347 R348 I352 R428C268-L350 WeakPolarHBondContact O-CD2 3.18Å; L270-L350 HydrophobicContact CB-CD1 4.43Å; L270-L350 HydrophobicContact CB-CD2 4.12Å; L270-L350 HydrophobicContact CD2-CD1 4.44Å; Y346-L350 HydrophobicContact CE1-CD2 4.18Å; Y346-L350 PolarHBondContact O-N 3.21Å; F347-L350 HydrophobicContact CD1-CD1 4.1Å; F347-L350 WeakPolarHBondContact O-CB 3.43Å; F347-L350 PolarHBondContact O-N 3.2Å; R348-L350 VanDerWaalsContact C-N 3.33Å; L350-I352 VanDerWaalsContact CB-O 3.3Å; L350-I352 WeakPolarHBondContact CB-O 3.5Å; L350-R428 PolarHBondContact O-NH1 2.86Å; L350-R428 PolarHBondContact O-NH2 3.27Å
351P94Very high96.5Very high3 Ų317.4 Ų17.42%0.0199%0.088CC..SBendtrans-64.8-40.9176.2-23.933.7000113.3W16 W218 S267 C268 R428W16-P351 HydrophobicContact CB-CB 4.24Å; W16-P351 HydrophobicContact CG-CB 4.28Å; W16-P351 HydrophobicContact CG-CG 4.36Å; W218-P351 HydrophobicContact CD2-CB 3.69Å; W218-P351 HydrophobicContact CD2-CG 4.42Å; W218-P351 HydrophobicContact CE3-CB 3.34Å; W218-P351 HydrophobicContact CE3-CG 3.84Å; W218-P351 HydrophobicContact CH2-CB 3.57Å; W218-P351 HydrophobicContact CZ2-CB 3.86Å; W218-P351 HydrophobicContact CZ3-CB 3.29Å; W218-P351 HydrophobicContact CZ3-CG 4.02Å; S267-P351 WeakPolarHBondContact O-CG 3.42Å; C268-P351 WeakPolarHBondContact O-CD 3.44Å; P351-R428 PolarHBondContact O-NH2 2.89Å
352I95.6Very high96.5Very high9 Ų920.1 Ų20.15%0.04610%0.098CC..SBendtrans-104.7124.9170.6-56.9174.9000106.9Y21 P216 W218 L350 T356 Y357Y21-I352 HydrophobicContact CE1-CD1 4.2Å; Y21-I352 HydrophobicContact CE1-CG1 4.49Å; Y21-I352 HydrophobicContact CE2-CD1 3.84Å; P216-I352 HydrophobicContact CG-CD1 4.21Å; W218-I352 HydrophobicContact CH2-CD1 4.28Å; W218-I352 HydrophobicContact CH2-CG1 3.86Å; L350-I352 VanDerWaalsContact CB-O 3.3Å; L350-I352 WeakPolarHBondContact CB-O 3.5Å; I352-T356 HydrophobicContact CG2-CG2 3.92Å; I352-Y357 HydrophobicContact CG2-CD2 4.41Å
353P97.3Very high96.4Very high0 Ų020.1 Ų20.10%010%0.098CC..  trans-60.8158.3-177.623.5-29.4000111.4I355 Y357 H390 R428P353-I355 VanDerWaalsContact C-N 3.29Å; P353-I355 WeakPolarHBondContact CB-O 3.34Å; P353-I355 VanDerWaalsContact CG-O 3.22Å; P353-I355 WeakPolarHBondContact CG-O 3.15Å; P353-I355 CarbonylContact O-C 3.49Å; P353-I355 PolarHBondContact O-N 2.68Å; P353-Y357 HydrophobicContact CG-CD1 4.32Å; P353-Y357 HydrophobicContact CG-CD2 4.35Å; P353-Y357 HydrophobicContact CG-CE1 4.1Å; P353-Y357 HydrophobicContact CG-CE2 4.11Å; P353-Y357 HydrophobicContact CG-CG 4.44Å; P353-H390 PolarHBondContact O-CE1 3.23Å; P353-H390 VanDerWaalsContact O-CE1 3.28Å; P353-H390 PolarHBondContact O-ND1 3.1Å; P353-R428 HydrophobicContact CB-CB 4.48Å; P353-R428 HydrophobicContact CB-CG 4.26Å; P353-R428 VanDerWaalsContact CD-NH2 3.26Å; P353-R428 HydrophobicContact CG-CB 4.2Å; P353-R428 HydrophobicContact CG-CG 4.49Å; P353-R428 VanDerWaalsContact N-NH2 3.15Å
354L98.4Very high96.3Very high0 Ų020.3 Ų20.30%010%0.099CC..SBendtrans-57.2-45.7-178.2-17761.1000111L270 F347 H390 T393 L394 L397 L426L270-L354 HydrophobicContact CD2-CD1 3.63Å; F347-L354 HydrophobicContact CD1-CB 4.33Å; F347-L354 HydrophobicContact CD1-CD2 4.07Å; F347-L354 HydrophobicContact CE1-CD1 4.48Å; F347-L354 HydrophobicContact CE1-CD2 3.79Å; F347-L354 HydrophobicContact CZ-CD2 4.42Å; L354-H390 HydrophobicContact CD1-CB 4.46Å; L354-H390 WeakPolarHBondContact O-CB 3.37Å; L354-H390 PolarHBondContact O-ND1 2.67Å; L354-T393 HydrophobicContact CD1-CG2 3.78Å; L354-L394 HydrophobicContact CD1-CB 4.48Å; L354-L394 HydrophobicContact CD2-CB 4.07Å; L354-L394 HydrophobicContact CD2-CD1 3.76Å; L354-L394 HydrophobicContact CG-CB 4.2Å; L354-L394 HydrophobicContact CG-CD1 4.29Å; L354-L397 HydrophobicContact CD2-CD2 4.06Å; L354-L426 HydrophobicContact CB-CD2 4.14Å; L354-L426 HydrophobicContact CD2-CD1 4.47Å; L354-L426 HydrophobicContact CD2-CD2 3.77Å; L354-L426 PolarHBondContact N-O 3.03Å
355I98.1Very high96.2Very high0 Ų023.9 Ų23.90%012%0.116CC..SBendtrans-85.8108.6162.9-67.5169.8000107.2P353 F363 L394 L426 M427 V447 L451P353-I355 VanDerWaalsContact C-N 3.29Å; P353-I355 WeakPolarHBondContact CB-O 3.34Å; P353-I355 VanDerWaalsContact CG-O 3.22Å; P353-I355 WeakPolarHBondContact CG-O 3.15Å; P353-I355 CarbonylContact O-C 3.49Å; P353-I355 PolarHBondContact O-N 2.68Å; I355-F363 HydrophobicContact CD1-CD1 4.48Å; I355-F363 HydrophobicContact CD1-CE1 4.45Å; I355-F363 HydrophobicContact CG2-CD2 3.42Å; I355-F363 VanDerWaalsContact CG2-CD2 3.42Å; I355-F363 HydrophobicContact CG2-CE2 3.68Å; I355-F363 HydrophobicContact CG2-CG 4Å; I355-F363 HydrophobicContact CG2-CZ 4.43Å; I355-L394 HydrophobicContact CG1-CD2 4.2Å; I355-L426 PolarHBondContact N-O 3.33Å; I355-M427 HydrophobicContact CB-CG 3.88Å; I355-M427 HydrophobicContact CD1-CG 3.52Å; I355-M427 HydrophobicContact CD1-SD 3.85Å; I355-M427 HydrophobicContact CG1-CG 4.23Å; I355-M427 HydrophobicContact CG2-CE 4.17Å; I355-M427 HydrophobicContact CG2-CG 4.12Å; I355-V447 HydrophobicContact CD1-CG1 4.27Å; I355-L451 HydrophobicContact CD1-CD1 4.21Å
356T97.2Very high96.3Very high7 Ų723.7 Ų23.74%0.04312%0.115CC..  trans-65.1156.7-169.560.70000112.6I352 D358 A359 Y360 L386 P387I352-T356 HydrophobicContact CG2-CG2 3.92Å; T356-D358 PolarHBondContact O-N 2.96Å; T356-A359 PolarHBondContact O-N 3.11Å; T356-A359 WeakPolarHBondContact OG1-CB 3.28Å; T356-A359 PolarHBondContact OG1-N 2.6Å; T356-Y360 WeakPolarHBondContact O-CB 3.28Å; T356-Y360 PolarHBondContact O-N 3.32Å; T356-L386 HydrophobicContact CG2-CD2 4.17Å; T356-P387 HydrophobicContact CG2-CG 4.06Å
357Y94.5Very high96.2Very high6 Ų623.8 Ų23.82%0.02412%0.116CC..THydrogen-bonded Turntrans-57.4-37174.9-65.5-66.5000112.9Q22 I352 P353 A359 Y360 P361 R428 P430Q22-Y357 VanDerWaalsContact NE2-CD2 3.27Å; I352-Y357 HydrophobicContact CG2-CD2 4.41Å; P353-Y357 HydrophobicContact CG-CD1 4.32Å; P353-Y357 HydrophobicContact CG-CD2 4.35Å; P353-Y357 HydrophobicContact CG-CE1 4.1Å; P353-Y357 HydrophobicContact CG-CE2 4.11Å; P353-Y357 HydrophobicContact CG-CG 4.44Å; Y357-A359 VanDerWaalsContact C-N 3.34Å; Y357-A359 PolarHBondContact O-N 2.9Å; Y357-Y360 WeakPolarHBondContact O-CB 3.31Å; Y357-Y360 PolarHBondContact O-N 3.3Å; Y357-P361 WeakPolarHBondContact O-CD 3.09Å; Y357-R428 WeakPolarHBondContact CD1-O 3.38Å; Y357-R428 HydrophobicContact CE1-CB 3.85Å; Y357-R428 WeakPolarHBondContact CE1-O 3.13Å; Y357-R428 PolarHBondContact OH-NE 3Å; Y357-P430 HydrophobicContact CD1-CB 3.97Å
358D92.6Very high96.1Very high89 Ų8928.5 Ų28.548%0.47614%0.136SC..THydrogen-bonded Turntrans-67.8-35179.9-57.7-17.5000111.7T356T356-D358 PolarHBondContact O-N 2.96Å
359A96.4Very high96.2Very high0 Ų024 Ų240%012%0.121CC..THydrogen-bonded Turntrans-86.2-22.617900000112.9T356 Y357 P361 K362 F363 L385 L386T356-A359 PolarHBondContact O-N 3.11Å; T356-A359 WeakPolarHBondContact OG1-CB 3.28Å; T356-A359 PolarHBondContact OG1-N 2.6Å; Y357-A359 VanDerWaalsContact C-N 3.34Å; Y357-A359 PolarHBondContact O-N 2.9Å; A359-P361 VanDerWaalsContact C-CD 3.49Å; A359-K362 PolarHBondContact O-N 3.28Å; A359-F363 HydrophobicContact CB-CD2 3.98Å; A359-F363 HydrophobicContact CB-CE2 3.8Å; A359-F363 WeakPolarHBondContact O-CD2 3.41Å; A359-F363 PolarHBondContact O-N 3.21Å; A359-L385 HydrophobicContact CB-CB 3.93Å; A359-L386 HydrophobicContact CB-CD2 3.78Å; A359-L386 HydrophobicContact CB-CG 4.47Å
360Y96Very high96.2Very high6 Ų631.2 Ų31.22%0.02416%0.156CC..Hα-helixtrans-47.4-48.5-174.9177.5-83.6000113.8T356 Y357 K362 F363 I364 M427 R428 P430 D440 Q444T356-Y360 WeakPolarHBondContact O-CB 3.28Å; T356-Y360 PolarHBondContact O-N 3.32Å; Y357-Y360 WeakPolarHBondContact O-CB 3.31Å; Y357-Y360 PolarHBondContact O-N 3.3Å; Y360-K362 VanDerWaalsContact C-N 3.27Å; Y360-K362 PolarHBondContact O-N 3.34Å; Y360-F363 PolarHBondContact O-N 3.4Å; Y360-I364 HydrophobicContact CD1-CG1 3.92Å; Y360-I364 HydrophobicContact CD2-CG1 4.47Å; Y360-I364 HydrophobicContact CE1-CD1 4.23Å; Y360-I364 HydrophobicContact CE1-CG1 3.46Å; Y360-I364 VanDerWaalsContact CE1-CG1 3.46Å; Y360-I364 HydrophobicContact CE2-CD1 4.07Å; Y360-I364 HydrophobicContact CE2-CG1 4.08Å; Y360-I364 HydrophobicContact CG-CG1 4.39Å; Y360-I364 WeakPolarHBondContact O-CG1 3.46Å; Y360-I364 PolarHBondContact O-N 3.46Å; Y360-M427 HydrophobicContact CD2-CB 4.16Å; Y360-M427 HydrophobicContact CD2-CE 3.78Å; Y360-M427 HydrophobicContact CE2-CB 4.07Å; Y360-M427 HydrophobicContact CE2-CE 3.94Å; Y360-R428 WeakPolarHBondContact CD2-O 3.2Å; Y360-P430 VanDerWaalsContact CD1-CD 3.48Å; Y360-P430 HydrophobicContact CD1-CG 4.34Å; Y360-D440 WeakPolarHBondContact OH-CB 3.42Å; Y360-D440 PolarHBondContact OH-OD2 2.81Å; Y360-Q444 HydrophobicContact CE2-CG 4.12Å; Y360-Q444 PolarHBondContact OH-NE2 3.24Å
361P95.3Very high96.3Very high76 Ų7634.9 Ų34.949%0.49418%0.176SC..Hα-helixtrans-57.7-38.6-179.8-25.335.4000113.2Y357 A359 I364 E365Y357-P361 WeakPolarHBondContact O-CD 3.09Å; A359-P361 VanDerWaalsContact C-CD 3.49Å; P361-I364 PolarHBondContact O-N 3.4Å; P361-E365 WeakPolarHBondContact O-CB 3.37Å; P361-E365 PolarHBondContact O-N 2.87Å
362K97.1Very high96.3Very high62 Ų6238.6 Ų38.627%0.2720%0.2SC..Hα-helixtrans-71.3-36.6-178.4-166.662.9-177.2165.60112.2A359 Y360 E365 S366 T378 A382 L385A359-K362 PolarHBondContact O-N 3.28Å; Y360-K362 VanDerWaalsContact C-N 3.27Å; Y360-K362 PolarHBondContact O-N 3.34Å; K362-E365 VanDerWaalsContact CD-OE2 3.24Å; K362-E365 WeakPolarHBondContact CD-OE2 3.33Å; K362-E365 IonicContact NZ-OE2 2.72Å; K362-E365 PolarHBondContact NZ-OE2 3.06Å; K362-E365 PolarHBondContact O-N 2.88Å; K362-S366 PolarHBondContact O-N 2.86Å; K362-T378 HydrophobicContact CD-CG2 4.35Å; K362-A382 HydrophobicContact CB-CB 4.01Å; K362-A382 HydrophobicContact CG-CB 3.71Å; K362-L385 HydrophobicContact CB-CD1 3.78Å; K362-L385 HydrophobicContact CG-CD1 3.99Å
363F97.9Very high96.2Very high0 Ų044.2 Ų44.20%023%0.23CC..Hα-helixtrans-65.3-41.5172-80.5-79.7000112.3I355 A359 Y360 E365 S366 A367 L379 A382 L383 L386 M427 V447 L451I355-F363 HydrophobicContact CD1-CD1 4.48Å; I355-F363 HydrophobicContact CD1-CE1 4.45Å; I355-F363 HydrophobicContact CG2-CD2 3.42Å; I355-F363 VanDerWaalsContact CG2-CD2 3.42Å; I355-F363 HydrophobicContact CG2-CE2 3.68Å; I355-F363 HydrophobicContact CG2-CG 4Å; I355-F363 HydrophobicContact CG2-CZ 4.43Å; A359-F363 HydrophobicContact CB-CD2 3.98Å; A359-F363 HydrophobicContact CB-CE2 3.8Å; A359-F363 WeakPolarHBondContact O-CD2 3.41Å; A359-F363 PolarHBondContact O-N 3.21Å; Y360-F363 PolarHBondContact O-N 3.4Å; F363-E365 VanDerWaalsContact C-N 3.34Å; F363-S366 PolarHBondContact O-N 2.77Å; F363-S366 PolarHBondContact O-OG 2.95Å; F363-A367 PolarHBondContact O-N 2.91Å; F363-L379 HydrophobicContact CD1-CD1 3.47Å; F363-L379 VanDerWaalsContact CD1-CD1 3.47Å; F363-L379 HydrophobicContact CE1-CD1 3.64Å; F363-A382 HydrophobicContact CD1-CB 3.93Å; F363-A382 HydrophobicContact CD2-CB 3.82Å; F363-A382 HydrophobicContact CE1-CB 3.92Å; F363-A382 HydrophobicContact CE2-CB 3.78Å; F363-A382 HydrophobicContact CG-CB 3.88Å; F363-A382 HydrophobicContact CZ-CB 3.83Å; F363-L383 HydrophobicContact CE1-CD2 4.17Å; F363-L383 HydrophobicContact CE1-CG 4.4Å; F363-L383 HydrophobicContact CZ-CD2 3.92Å; F363-L383 HydrophobicContact CZ-CG 4.27Å; F363-L386 HydrophobicContact CE2-CD1 4.26Å; F363-L386 HydrophobicContact CE2-CD2 4.16Å; F363-L386 HydrophobicContact CE2-CG 4.16Å; F363-L386 HydrophobicContact CZ-CD1 3.98Å; F363-L386 HydrophobicContact CZ-CG 4.31Å; F363-M427 HydrophobicContact CB-CE 3.7Å; F363-M427 HydrophobicContact CG-CE 4.45Å; F363-V447 HydrophobicContact CB-CG1 4.29Å; F363-V447 HydrophobicContact CB-CG2 4.22Å; F363-V447 HydrophobicContact CD1-CG1 3.6Å; F363-V447 HydrophobicContact CE1-CG1 4.38Å; F363-V447 HydrophobicContact CG-CG1 4.32Å; F363-V447 WeakPolarHBondContact O-CG2 3.47Å; F363-L451 HydrophobicContact CE1-CD1 4.38Å
364I96.4Very high96.2Very high5 Ų549.2 Ų49.23%0.02625%0.254CS..Hα-helixtrans-68.4-36.6177-61.9-58.1000111.2Y360 P361 A367 K368 M427 D440 Y443 Q444Y360-I364 HydrophobicContact CD1-CG1 3.92Å; Y360-I364 HydrophobicContact CD2-CG1 4.47Å; Y360-I364 HydrophobicContact CE1-CD1 4.23Å; Y360-I364 HydrophobicContact CE1-CG1 3.46Å; Y360-I364 VanDerWaalsContact CE1-CG1 3.46Å; Y360-I364 HydrophobicContact CE2-CD1 4.07Å; Y360-I364 HydrophobicContact CE2-CG1 4.08Å; Y360-I364 HydrophobicContact CG-CG1 4.39Å; Y360-I364 WeakPolarHBondContact O-CG1 3.46Å; Y360-I364 PolarHBondContact O-N 3.46Å; P361-I364 PolarHBondContact O-N 3.4Å; I364-A367 PolarHBondContact O-N 2.86Å; I364-K368 HydrophobicContact CG2-CD 4.34Å; I364-K368 WeakPolarHBondContact O-CG 3.46Å; I364-K368 PolarHBondContact O-N 3.17Å; I364-M427 HydrophobicContact CD1-CE 3.78Å; I364-M427 HydrophobicContact CG1-CE 4.33Å; I364-D440 HydrophobicContact CD1-CB 4.38Å; I364-Y443 HydrophobicContact CG2-CD2 4.39Å; I364-Q444 HydrophobicContact CD1-CG 3.94Å
365E96.1Very high96.2Very high99 Ų9950.5 Ų50.546%0.46326%0.259SS..Hα-helixtrans-60.1-47.8174-173.3-176.8-157.400111.4P361 K362 F363 A367 K368 I369P361-E365 WeakPolarHBondContact O-CB 3.37Å; P361-E365 PolarHBondContact O-N 2.87Å; K362-E365 VanDerWaalsContact CD-OE2 3.24Å; K362-E365 WeakPolarHBondContact CD-OE2 3.33Å; K362-E365 IonicContact NZ-OE2 2.72Å; K362-E365 PolarHBondContact NZ-OE2 3.06Å; K362-E365 PolarHBondContact O-N 2.88Å; F363-E365 VanDerWaalsContact C-N 3.34Å; E365-A367 VanDerWaalsContact C-N 3.28Å; E365-A367 PolarHBondContact O-N 3.25Å; E365-K368 WeakPolarHBondContact O-CB 3.42Å; E365-K368 PolarHBondContact O-N 2.89Å; E365-I369 PolarHBondContact O-N 3.19Å
366S97.3Very high96.1Very high0 Ų052.1 Ų52.10%027%0.268CS..Hα-helixtrans-59.2-39.8-179.772.70000112.3K362 F363 K368 I369 Q375K362-S366 PolarHBondContact O-N 2.86Å; F363-S366 PolarHBondContact O-N 2.77Å; F363-S366 PolarHBondContact O-OG 2.95Å; S366-K368 PolarHBondContact O-N 3.29Å; S366-I369 WeakPolarHBondContact O-CB 3.49Å; S366-I369 PolarHBondContact O-N 3.42Å; S366-Q375 WeakPolarHBondContact O-CG 3.41Å; S366-Q375 PolarHBondContact O-NE2 3.03Å; S366-Q375 VanDerWaalsContact O-NE2 3.1Å
367A96.4Very high96.1Very high2 Ų258 Ų582%0.01730%0.295CS..THydrogen-bonded Turntrans-70.7-11177.600000114.4F363 I364 E365 Y443 L446 V447F363-A367 PolarHBondContact O-N 2.91Å; I364-A367 PolarHBondContact O-N 2.86Å; E365-A367 VanDerWaalsContact C-N 3.28Å; E365-A367 PolarHBondContact O-N 3.25Å; A367-Y443 HydrophobicContact CB-CD1 4.03Å; A367-Y443 HydrophobicContact CB-CG 4.48Å; A367-L446 HydrophobicContact CB-CB 4.49Å; A367-L446 HydrophobicContact CB-CD2 4.14Å; A367-L446 HydrophobicContact CB-CG 4.34Å; A367-V447 HydrophobicContact CB-CG2 3.7Å
368K95.8Very high96.3Very high99 Ų9958.5 Ų58.543%0.4330%0.299SS..THydrogen-bonded Turntrans-92.1-14174.3-70.9169.1-179.4172.40112.8I364 E365 S366 M370 Y443I364-K368 HydrophobicContact CG2-CD 4.34Å; I364-K368 WeakPolarHBondContact O-CG 3.46Å; I364-K368 PolarHBondContact O-N 3.17Å; E365-K368 WeakPolarHBondContact O-CB 3.42Å; E365-K368 PolarHBondContact O-N 2.89Å; S366-K368 PolarHBondContact O-N 3.29Å; K368-M370 WeakPolarHBondContact O-CE 3.31Å; K368-Y443 HydrophobicContact CD-CE2 4.49Å; K368-Y443 HydrophobicContact CG-CD1 3.98Å; K368-Y443 HydrophobicContact CG-CD2 4.47Å; K368-Y443 HydrophobicContact CG-CE1 3.62Å; K368-Y443 HydrophobicContact CG-CE2 4.17Å; K368-Y443 HydrophobicContact CG-CG 4.4Å
369I97.2Very high96.5Very high27 Ų2754.2 Ų54.214%0.13828%0.276CS..  trans-72.2136.8177.9-62.1173.5000109.5E365 S366 D371 E374 Q375 T378E365-I369 PolarHBondContact O-N 3.19Å; S366-I369 WeakPolarHBondContact O-CB 3.49Å; S366-I369 PolarHBondContact O-N 3.42Å; I369-D371 HydrophobicContact CG2-CB 4.39Å; I369-E374 HydrophobicContact CD1-CG 4.28Å; I369-E374 HydrophobicContact CG2-CB 3.98Å; I369-E374 HydrophobicContact CG2-CG 4.13Å; I369-Q375 HydrophobicContact CB-CB 4.1Å; I369-Q375 HydrophobicContact CG2-CB 4.09Å; I369-Q375 PolarHBondContact O-NE2 2.95Å; I369-T378 HydrophobicContact CD1-CG2 3.85Å; I369-T378 WeakPolarHBondContact CD1-OG1 3.46Å
370M95.1Very high96.6Very high165 Ų16557.5 Ų57.581%0.81329%0.291SS*.  trans-92.1-29.7-178.1-62.7-70.490.200113K368 P372K368-M370 WeakPolarHBondContact O-CE 3.31Å; M370-P372 WeakPolarHBondContact O-CD 3.31Å
371D97.1Very high96.6Very high78 Ų7861 Ų6142%0.41731%0.308SS..SBendtrans-74.7121.7176-177.373.3000110.2I369 D373 E374 Q375I369-D371 HydrophobicContact CG2-CB 4.39Å; D371-D373 VanDerWaalsContact C-N 3.35Å; D371-D373 PolarHBondContact O-N 3.46Å; D371-D373 PolarHBondContact OD2-N 3.42Å; D371-E374 HydrophobicContact CB-CB 4.05Å; D371-E374 WeakPolarHBondContact OD2-CB 3.47Å; D371-E374 PolarHBondContact OD2-N 3.26Å; D371-Q375 WeakPolarHBondContact O-CB 3.43Å; D371-Q375 PolarHBondContact O-N 3.29Å
372P94.4Very high96.8Very high80 Ų8057.4 Ų57.452%0.51928%0.284SS..Hα-helixtrans-63.2-35.8-175.4-25.235.5000114.3M370 L376M370-P372 WeakPolarHBondContact O-CD 3.31Å; P372-L376 WeakPolarHBondContact O-CG 3.1Å; P372-L376 PolarHBondContact O-N 2.78Å; P372-L376 VanDerWaalsContact O-N 3.08Å
373D94.8Very high96.8Very high127 Ų12754.9 Ų54.968%0.67927%0.273SS*.Hα-helixtrans-73.2-47.3-177.4-68-29.7000110D371 Q375 L376 E377D371-D373 VanDerWaalsContact C-N 3.35Å; D371-D373 PolarHBondContact O-N 3.46Å; D371-D373 PolarHBondContact OD2-N 3.42Å; D373-Q375 VanDerWaalsContact C-N 3.31Å; D373-Q375 PolarHBondContact O-N 3.36Å; D373-L376 PolarHBondContact O-N 2.81Å; D373-E377 PolarHBondContact O-N 2.96Å
374E96.8Very high96.7Very high106 Ų10660.8 Ų60.850%0.49530%0.299SS..Hα-helixtrans-64-35.3174.7-168.8-174.4179.200112I369 D371 E377 T378I369-E374 HydrophobicContact CD1-CG 4.28Å; I369-E374 HydrophobicContact CG2-CB 3.98Å; I369-E374 HydrophobicContact CG2-CG 4.13Å; D371-E374 HydrophobicContact CB-CB 4.05Å; D371-E374 WeakPolarHBondContact OD2-CB 3.47Å; D371-E374 PolarHBondContact OD2-N 3.26Å; E374-E377 PolarHBondContact O-N 3.46Å; E374-T378 VanDerWaalsContact O-CB 3.3Å; E374-T378 WeakPolarHBondContact O-CB 3.49Å; E374-T378 PolarHBondContact O-N 3.05Å; E374-T378 PolarHBondContact O-OG1 3.42Å
375Q97.4Very high96.7Very high26 Ų2665.2 Ų65.212%0.12132%0.323CS..Hα-helixtrans-61.4-46.2174.5168.8166.888.300111.4S366 I369 D371 D373 L379 L450S366-Q375 WeakPolarHBondContact O-CG 3.41Å; S366-Q375 PolarHBondContact O-NE2 3.03Å; S366-Q375 VanDerWaalsContact O-NE2 3.1Å; I369-Q375 HydrophobicContact CB-CB 4.1Å; I369-Q375 HydrophobicContact CG2-CB 4.09Å; I369-Q375 PolarHBondContact O-NE2 2.95Å; D371-Q375 WeakPolarHBondContact O-CB 3.43Å; D371-Q375 PolarHBondContact O-N 3.29Å; D373-Q375 VanDerWaalsContact C-N 3.31Å; D373-Q375 PolarHBondContact O-N 3.36Å; Q375-L379 VanDerWaalsContact O-CB 3.25Å; Q375-L379 WeakPolarHBondContact O-CB 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å; Q375-L450 VanDerWaalsContact CD-CD1 3.46Å; Q375-L450 HydrophobicContact CG-CD1 3.92Å
376L96.1Very high96.8Very high34 Ų3461.1 Ų61.118%0.17830%0.304CS..Hα-helixtrans-69.1-40.3178.6-73.6173.2000112.1P372 D373 L379 H380 N454 I457P372-L376 WeakPolarHBondContact O-CG 3.1Å; P372-L376 PolarHBondContact O-N 2.78Å; P372-L376 VanDerWaalsContact O-N 3.08Å; D373-L376 PolarHBondContact O-N 2.81Å; L376-L379 PolarHBondContact O-N 3.46Å; L376-H380 WeakPolarHBondContact O-CB 3.42Å; L376-H380 PolarHBondContact O-N 3.18Å; L376-N454 HydrophobicContact CD2-CB 3.91Å; L376-I457 HydrophobicContact CD1-CD1 4.01Å
377E97.6Very high96.8Very high131 Ų13163.3 Ų63.361%0.61232%0.318SS*.Hα-helixtrans-60.7-47.8175.1-173.4174.7-171.900111D373 E374 L379 H380 E381D373-E377 PolarHBondContact O-N 2.96Å; E374-E377 PolarHBondContact O-N 3.46Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 2.85Å; E377-H380 WeakPolarHBondContact O-CB 3.48Å; E377-H380 PolarHBondContact O-N 3.23Å; E377-H380 VanDerWaalsContact O-N 3.16Å; E377-E381 PolarHBondContact O-N 3.03Å
378T97.9Very high96.8Very high16 Ų1668.6 Ų68.610%0.09835%0.352CS..Hα-helixtrans-63.9-38178.1-57.40000112K362 I369 E374 H380 E381 A382K362-T378 HydrophobicContact CD-CG2 4.35Å; I369-T378 HydrophobicContact CD1-CG2 3.85Å; I369-T378 WeakPolarHBondContact CD1-OG1 3.46Å; E374-T378 VanDerWaalsContact O-CB 3.3Å; E374-T378 WeakPolarHBondContact O-CB 3.49Å; E374-T378 PolarHBondContact O-N 3.05Å; E374-T378 PolarHBondContact O-OG1 3.42Å; T378-H380 VanDerWaalsContact C-N 3.35Å; T378-E381 PolarHBondContact O-N 3.06Å; T378-A382 PolarHBondContact O-N 3.4Å
379L97.9Very high96.8Very high0 Ų064.3 Ų64.30%034%0.335CS..Hα-helixtrans-65.2-39.3175.4-176.560.7000111.4F363 Q375 L376 E377 A382 L383 V447 L450 L451 L458F363-L379 HydrophobicContact CD1-CD1 3.47Å; F363-L379 VanDerWaalsContact CD1-CD1 3.47Å; F363-L379 HydrophobicContact CE1-CD1 3.64Å; Q375-L379 VanDerWaalsContact O-CB 3.25Å; Q375-L379 WeakPolarHBondContact O-CB 3.43Å; Q375-L379 PolarHBondContact O-N 2.99Å; L376-L379 PolarHBondContact O-N 3.46Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 2.85Å; L379-A382 WeakPolarHBondContact O-CB 3.38Å; L379-A382 PolarHBondContact O-N 3.16Å; L379-L383 PolarHBondContact O-N 2.91Å; L379-L383 VanDerWaalsContact O-N 3.11Å; L379-V447 HydrophobicContact CD1-CG1 4.29Å; L379-L450 HydrophobicContact CD2-CB 3.82Å; L379-L451 HydrophobicContact CD1-CD2 4.13Å; L379-L451 HydrophobicContact CD1-CG 4.38Å; L379-L451 HydrophobicContact CD2-CD2 4.07Å; L379-L451 HydrophobicContact CD2-CG 4.3Å; L379-L451 HydrophobicContact CG-CD2 4.13Å; L379-L458 HydrophobicContact CD2-CD1 3.71Å; L379-L458 HydrophobicContact CG-CD1 4.22Å
380H97.6Very high96.9Very high68 Ų6863.1 Ų63.132%0.31533%0.329SS..Hα-helixtrans-65.8-40.4174.2-175.274.4000112.1L376 E377 T378 A382 L383 K384 L458L376-H380 WeakPolarHBondContact O-CB 3.42Å; L376-H380 PolarHBondContact O-N 3.18Å; E377-H380 WeakPolarHBondContact O-CB 3.48Å; E377-H380 PolarHBondContact O-N 3.23Å; E377-H380 VanDerWaalsContact O-N 3.16Å; T378-H380 VanDerWaalsContact C-N 3.35Å; H380-A382 VanDerWaalsContact C-N 3.29Å; H380-A382 PolarHBondContact O-N 3.14Å; H380-L383 WeakPolarHBondContact O-CB 3.42Å; H380-L383 PolarHBondContact O-N 3.31Å; H380-K384 VanDerWaalsContact CD2-CE 3.44Å; H380-K384 WeakPolarHBondContact CD2-CE 3.49Å; H380-K384 WeakPolarHBondContact NE2-CE 3.33Å; H380-K384 PolarHBondContact O-N 3.42Å; H380-L458 HydrophobicContact CB-CD2 3.86Å; H380-L458 PolarHBondContact ND1-O 2.86Å; H380-L458 VanDerWaalsContact ND1-O 3.15Å
381E97.5Very high97.1Very high81 Ų8157 Ų5738%0.37930%0.302SS..Hα-helixtrans-62.2-36.8171.7-68.7-53.6128.500112.1E377 T378 L383 K384E377-E381 PolarHBondContact O-N 3.03Å; T378-E381 PolarHBondContact O-N 3.06Å; E381-L383 VanDerWaalsContact C-N 3.33Å; E381-L383 PolarHBondContact O-N 2.94Å; E381-K384 WeakPolarHBondContact O-CB 3.29Å; E381-K384 PolarHBondContact O-N 3.23Å; E381-K384 IonicContact OE1-NZ 2.84Å; E381-K384 PolarHBondContact OE1-NZ 2.86Å; E381-K384 IonicContact OE2-NZ 3.47Å
382A97.9Very high97.1Very high0 Ų055.6 Ų55.60%029%0.293CS..Hα-helixtrans-62.6-38.6174.600000112.3K362 F363 T378 L379 H380 K384 L385K362-A382 HydrophobicContact CB-CB 4.01Å; K362-A382 HydrophobicContact CG-CB 3.71Å; F363-A382 HydrophobicContact CD1-CB 3.93Å; F363-A382 HydrophobicContact CD2-CB 3.82Å; F363-A382 HydrophobicContact CE1-CB 3.92Å; F363-A382 HydrophobicContact CE2-CB 3.78Å; F363-A382 HydrophobicContact CG-CB 3.88Å; F363-A382 HydrophobicContact CZ-CB 3.83Å; T378-A382 PolarHBondContact O-N 3.4Å; L379-A382 WeakPolarHBondContact O-CB 3.38Å; L379-A382 PolarHBondContact O-N 3.16Å; H380-A382 VanDerWaalsContact C-N 3.29Å; H380-A382 PolarHBondContact O-N 3.14Å; A382-K384 VanDerWaalsContact C-N 3.27Å; A382-K384 PolarHBondContact O-N 3.36Å; A382-L385 WeakPolarHBondContact O-CB 3.16Å; A382-L385 PolarHBondContact O-N 3.34Å; A382-L385 VanDerWaalsContact O-N 3.13Å
383L97.9Very high97.3Very high8 Ų851.8 Ų51.84%0.04227%0.268CS..Hα-helixtrans-61.4-34.3176.4-71.6169.3000112.4F363 L379 H380 E381 L385 L386 L394 L451 L458 F459F363-L383 HydrophobicContact CE1-CD2 4.17Å; F363-L383 HydrophobicContact CE1-CG 4.4Å; F363-L383 HydrophobicContact CZ-CD2 3.92Å; F363-L383 HydrophobicContact CZ-CG 4.27Å; L379-L383 PolarHBondContact O-N 2.91Å; L379-L383 VanDerWaalsContact O-N 3.11Å; H380-L383 WeakPolarHBondContact O-CB 3.42Å; H380-L383 PolarHBondContact O-N 3.31Å; E381-L383 VanDerWaalsContact C-N 3.33Å; E381-L383 PolarHBondContact O-N 2.94Å; L383-L385 PolarHBondContact O-N 2.87Å; L383-L386 HydrophobicContact CD2-CD1 4.07Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.37Å; L383-L386 VanDerWaalsContact O-N 3.13Å; L383-L394 HydrophobicContact CD2-CD2 3.67Å; L383-L451 HydrophobicContact CD1-CD2 4.19Å; L383-L451 HydrophobicContact CD2-CD2 4.07Å; L383-L451 HydrophobicContact CG-CD2 4.42Å; L383-L458 HydrophobicContact CD1-CB 3.93Å; L383-L458 HydrophobicContact CD1-CD2 4.49Å; L383-F459 HydrophobicContact CD1-CD1 4.46Å; L383-F459 HydrophobicContact CD1-CE1 4.03Å; L383-F459 HydrophobicContact CD1-CE2 4.27Å; L383-F459 HydrophobicContact CD1-CZ 3.92Å; L383-F459 HydrophobicContact CD2-CE1 3.65Å; L383-F459 HydrophobicContact CD2-CE2 4.5Å; L383-F459 HydrophobicContact CD2-CZ 3.5Å; L383-F459 HydrophobicContact CG-CE1 4.45Å; L383-F459 HydrophobicContact CG-CZ 4.4Å
384K96.3Very high97.5Very high125 Ų12545.7 Ų45.754%0.54324%0.236SC..Hα-helixtrans-66.6-20.5177.4-64.4174.6-174.3168.80113.3H380 E381 A382 L386H380-K384 VanDerWaalsContact CD2-CE 3.44Å; H380-K384 WeakPolarHBondContact CD2-CE 3.49Å; H380-K384 WeakPolarHBondContact NE2-CE 3.33Å; H380-K384 PolarHBondContact O-N 3.42Å; E381-K384 WeakPolarHBondContact O-CB 3.29Å; E381-K384 PolarHBondContact O-N 3.23Å; E381-K384 IonicContact OE1-NZ 2.84Å; E381-K384 PolarHBondContact OE1-NZ 2.86Å; E381-K384 IonicContact OE2-NZ 3.47Å; A382-K384 VanDerWaalsContact C-N 3.27Å; A382-K384 PolarHBondContact O-N 3.36Å; K384-L386 VanDerWaalsContact C-N 3.3Å
385L96.8Very high97.6Very high98 Ų9844.3 Ų44.351%0.51323%0.226SC..THydrogen-bonded Turntrans-77.9-16.1175.6-58.4177.3000112.8A359 K362 A382 L383A359-L385 HydrophobicContact CB-CB 3.93Å; K362-L385 HydrophobicContact CB-CD1 3.78Å; K362-L385 HydrophobicContact CG-CD1 3.99Å; A382-L385 WeakPolarHBondContact O-CB 3.16Å; A382-L385 PolarHBondContact O-N 3.34Å; A382-L385 VanDerWaalsContact O-N 3.13Å; L383-L385 PolarHBondContact O-N 2.87Å
386L97.6Very high97.7Very high13 Ų1346 Ų467%0.06823%0.231CC..SBendtrans-74.4140.3-178.6-66.7176.9000111.6T356 A359 F363 L383 K384 H390 C391 L394T356-L386 HydrophobicContact CG2-CD2 4.17Å; A359-L386 HydrophobicContact CB-CD2 3.78Å; A359-L386 HydrophobicContact CB-CG 4.47Å; F363-L386 HydrophobicContact CE2-CD1 4.26Å; F363-L386 HydrophobicContact CE2-CD2 4.16Å; F363-L386 HydrophobicContact CE2-CG 4.16Å; F363-L386 HydrophobicContact CZ-CD1 3.98Å; F363-L386 HydrophobicContact CZ-CG 4.31Å; L383-L386 HydrophobicContact CD2-CD1 4.07Å; L383-L386 WeakPolarHBondContact O-CB 3.41Å; L383-L386 PolarHBondContact O-N 3.37Å; L383-L386 VanDerWaalsContact O-N 3.13Å; K384-L386 VanDerWaalsContact C-N 3.3Å; L386-H390 HydrophobicContact CB-CB 4.33Å; L386-C391 HydrophobicContact CB-CB 4.06Å; L386-L394 HydrophobicContact CD1-CD2 3.64Å
387P96.4Very high97.8Very high45 Ų4544.3 Ų44.329%0.29222%0.223SC..  trans-58.9151.8169.7-22.532.1000111.7T356 A389 H390 C391T356-P387 HydrophobicContact CG2-CG 4.06Å; P387-A389 VanDerWaalsContact C-N 3.29Å; P387-A389 PolarHBondContact O-N 2.92Å; P387-A389 VanDerWaalsContact O-N 3.13Å; P387-H390 WeakPolarHBondContact O-CA 3.43Å; P387-H390 WeakPolarHBondContact O-CB 3.44Å; P387-H390 PolarHBondContact O-N 3.47Å; P387-C391 PolarHBondContact O-N 3.1Å
388P96.8Very high97.9Very high114 Ų11438.1 Ų38.174%0.7419%0.194SC*.Hα-helixtrans-54-40.8-175-29.335.1000114.6H390 E392P388-H390 VanDerWaalsContact C-N 3.34Å; P388-H390 PolarHBondContact O-N 3.4Å; P388-E392 WeakPolarHBondContact O-CB 3.45Å; P388-E392 PolarHBondContact O-N 2.98Å
389A96.8Very high97.9Very high9 Ų938.8 Ų38.87%0.07420%0.201CC..Hα-helixtrans-65.8-36.5178.300000112.5L270 V274 P387 T393L270-A389 HydrophobicContact CG-CB 4.29Å; V274-A389 HydrophobicContact CB-CB 4.19Å; V274-A389 HydrophobicContact CG1-CB 4.26Å; V274-A389 HydrophobicContact CG2-CB 4.17Å; P387-A389 VanDerWaalsContact C-N 3.29Å; P387-A389 PolarHBondContact O-N 2.92Å; P387-A389 VanDerWaalsContact O-N 3.13Å; A389-T393 VanDerWaalsContact O-CB 3.24Å; A389-T393 WeakPolarHBondContact O-CB 3.42Å; A389-T393 PolarHBondContact O-N 3.14Å; A389-T393 PolarHBondContact O-OG1 3.34Å
390H98.5Very high97.9Very high2 Ų239 Ų391%0.00920%0.202CC..Hα-helixtrans-71.6-47.8177.2-73.2-109.6000110.9L270 P353 L354 L386 P387 P388 T393 L394L270-H390 HydrophobicContact CD2-CB 4.31Å; P353-H390 PolarHBondContact O-CE1 3.23Å; P353-H390 VanDerWaalsContact O-CE1 3.28Å; P353-H390 PolarHBondContact O-ND1 3.1Å; L354-H390 HydrophobicContact CD1-CB 4.46Å; L354-H390 WeakPolarHBondContact O-CB 3.37Å; L354-H390 PolarHBondContact O-ND1 2.67Å; L386-H390 HydrophobicContact CB-CB 4.33Å; P387-H390 WeakPolarHBondContact O-CA 3.43Å; P387-H390 WeakPolarHBondContact O-CB 3.44Å; P387-H390 PolarHBondContact O-N 3.47Å; P388-H390 VanDerWaalsContact C-N 3.34Å; P388-H390 PolarHBondContact O-N 3.4Å; H390-T393 PolarHBondContact O-N 2.93Å; H390-L394 VanDerWaalsContact O-CB 3.27Å; H390-L394 WeakPolarHBondContact O-CB 3.28Å; H390-L394 PolarHBondContact O-N 2.93Å
391C98.3Very high98Very high37 Ų3735.7 Ų35.725%0.2519%0.187CC..Hα-helixtrans-60.8-48.8-180-173.10000111.9L386 P387 T393 L394 R395L386-C391 HydrophobicContact CB-CB 4.06Å; P387-C391 PolarHBondContact O-N 3.1Å; C391-T393 VanDerWaalsContact C-N 3.34Å; C391-T393 PolarHBondContact O-N 2.92Å; C391-L394 PolarHBondContact O-N 3.22Å; C391-R395 WeakPolarHBondContact O-CB 3.44Å; C391-R395 PolarHBondContact O-N 3Å
392E98.4Very high98Very high47 Ų4734.6 Ų34.622%0.2218%0.181CC..Hα-helixtrans-67-35.1-179.8179.856.6-161.400112.4K280 R281 P388 R395 Y396K280-E392 HydrophobicContact CB-CG 4.37Å; R281-E392 VanDerWaalsContact CD-O 3.29Å; R281-E392 WeakPolarHBondContact CD-O 3.34Å; R281-E392 HydrophobicContact CG-CB 4.48Å; R281-E392 HydrophobicContact CG-CG 3.76Å; R281-E392 IonicContact CZ-OE1 3.6Å; R281-E392 IonicContact NH1-OE1 3.8Å; R281-E392 PolarHBondContact NH1-OE1 3.46Å; P388-E392 WeakPolarHBondContact O-CB 3.45Å; P388-E392 PolarHBondContact O-N 2.98Å; E392-R395 IonicContact OE1-CZ 3.55Å; E392-R395 IonicContact OE1-NE 3.82Å; E392-R395 IonicContact OE1-NH2 2.65Å; E392-R395 PolarHBondContact OE1-NH2 3.48Å; E392-R395 IonicContact OE2-CZ 3.66Å; E392-R395 IonicContact OE2-NE 2.79Å; E392-R395 PolarHBondContact OE2-NE 3.27Å; E392-R395 IonicContact OE2-NH2 3.58Å; E392-R395 PolarHBondContact OE2-NH2 2.93Å; E392-Y396 PolarHBondContact O-N 2.85Å
393T98.8Very high98.1Very high0 Ų040.4 Ų40.40%020%0.203CC..Hα-helixtrans-68.9-41.9174.3-58.70000111.4L270 V285 F347 L354 A389 H390 C391 Y396 L397L270-T393 HydrophobicContact CD2-CG2 4.46Å; V285-T393 HydrophobicContact CG1-CG2 4.42Å; V285-T393 HydrophobicContact CG2-CG2 4.13Å; F347-T393 HydrophobicContact CE1-CG2 3.9Å; F347-T393 HydrophobicContact CZ-CG2 4.39Å; L354-T393 HydrophobicContact CD1-CG2 3.78Å; A389-T393 VanDerWaalsContact O-CB 3.24Å; A389-T393 WeakPolarHBondContact O-CB 3.42Å; A389-T393 PolarHBondContact O-N 3.14Å; A389-T393 PolarHBondContact O-OG1 3.34Å; H390-T393 PolarHBondContact O-N 2.93Å; C391-T393 VanDerWaalsContact C-N 3.34Å; C391-T393 PolarHBondContact O-N 2.92Å; T393-Y396 PolarHBondContact O-N 2.76Å; T393-L397 PolarHBondContact O-N 3.4Å
394L98.8Very high98.1Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-63-47.2176.5-178.164.7000111L354 I355 L383 L386 H390 C391 Y396 L397 M398 L426 L451 F459L354-L394 HydrophobicContact CD1-CB 4.48Å; L354-L394 HydrophobicContact CD2-CB 4.07Å; L354-L394 HydrophobicContact CD2-CD1 3.76Å; L354-L394 HydrophobicContact CG-CB 4.2Å; L354-L394 HydrophobicContact CG-CD1 4.29Å; I355-L394 HydrophobicContact CG1-CD2 4.2Å; L383-L394 HydrophobicContact CD2-CD2 3.67Å; L386-L394 HydrophobicContact CD1-CD2 3.64Å; H390-L394 VanDerWaalsContact O-CB 3.27Å; H390-L394 WeakPolarHBondContact O-CB 3.28Å; H390-L394 PolarHBondContact O-N 2.93Å; C391-L394 PolarHBondContact O-N 3.22Å; L394-Y396 VanDerWaalsContact C-N 3.34Å; L394-Y396 PolarHBondContact O-N 3.03Å; L394-L397 PolarHBondContact O-N 3.49Å; L394-M398 HydrophobicContact CD1-CE 3.91Å; L394-M398 HydrophobicContact CD1-CG 4.16Å; L394-M398 HydrophobicContact CD1-SD 4.44Å; L394-M398 HydrophobicContact CG-CG 4.26Å; L394-M398 VanDerWaalsContact O-CG 3.31Å; L394-M398 WeakPolarHBondContact O-CG 3.31Å; L394-M398 PolarHBondContact O-N 3.37Å; L394-L426 HydrophobicContact CD1-CD1 4.27Å; L394-L451 HydrophobicContact CD2-CD1 4.31Å; L394-F459 HydrophobicContact CD2-CZ 4.03Å; L394-F459 HydrophobicContact CG-CZ 3.96Å
395R98.6Very high98.2Very high77 Ų7735.1 Ų35.129%0.29118%0.181SC..Hα-helixtrans-52-52.1175.8-175.7-177.975.168.76.2111.9C391 E392 L397 M398 A399 F459C391-R395 WeakPolarHBondContact O-CB 3.44Å; C391-R395 PolarHBondContact O-N 3Å; E392-R395 IonicContact OE1-CZ 3.55Å; E392-R395 IonicContact OE1-NE 3.82Å; E392-R395 IonicContact OE1-NH2 2.65Å; E392-R395 PolarHBondContact OE1-NH2 3.48Å; E392-R395 IonicContact OE2-CZ 3.66Å; E392-R395 IonicContact OE2-NE 2.79Å; E392-R395 PolarHBondContact OE2-NE 3.27Å; E392-R395 IonicContact OE2-NH2 3.58Å; E392-R395 PolarHBondContact OE2-NH2 2.93Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.99Å; R395-M398 PolarHBondContact O-N 3.35Å; R395-A399 PolarHBondContact O-N 3.25Å; R395-F459 HydrophobicContact CB-CB 4.36Å; R395-F459 HydrophobicContact CB-CD1 3.5Å; R395-F459 VanDerWaalsContact CB-CD1 3.5Å; R395-F459 HydrophobicContact CB-CE1 3.79Å; R395-F459 HydrophobicContact CB-CG 3.94Å; R395-F459 HydrophobicContact CB-CZ 4.48Å; R395-F459 HydrophobicContact CG-CB 3.52Å; R395-F459 HydrophobicContact CG-CD1 3.65Å; R395-F459 HydrophobicContact CG-CD2 4.35Å; R395-F459 HydrophobicContact CG-CE1 4.4Å; R395-F459 HydrophobicContact CG-CG 3.61Å
396Y98.8Very high98.3Very high60 Ų6036.7 Ų36.724%0.23519%0.19CC..Hα-helixtrans-64.9-37.7-178.4-169.8-114.5000112.6R281 V285 D286 I289 E392 T393 L394 H400R281-Y396 VanDerWaalsContact CD-CB 3.45Å; V285-Y396 HydrophobicContact CG1-CD1 4.1Å; D286-Y396 WeakPolarHBondContact OD1-CE1 3.42Å; I289-Y396 HydrophobicContact CB-CE1 4.15Å; I289-Y396 HydrophobicContact CD1-CD1 3.73Å; I289-Y396 HydrophobicContact CD1-CE1 3.75Å; I289-Y396 HydrophobicContact CG2-CE1 3.96Å; E392-Y396 PolarHBondContact O-N 2.85Å; T393-Y396 PolarHBondContact O-N 2.76Å; L394-Y396 VanDerWaalsContact C-N 3.34Å; L394-Y396 PolarHBondContact O-N 3.03Å; Y396-H400 PolarHBondContact O-N 3.42Å; Y396-H400 VanDerWaalsContact O-N 3.15Å
397L98.8Very high98.3Very high0 Ų039 Ų390%020%0.2CC..Hα-helixtrans-64.9-45173.7-179.465.1000111.6I289 F347 L354 T393 L394 R395 A399 H400 L401 F422 L426I289-L397 HydrophobicContact CD1-CD1 4.32Å; F347-L397 HydrophobicContact CD2-CD2 4.42Å; F347-L397 HydrophobicContact CE2-CD1 4.02Å; F347-L397 HydrophobicContact CE2-CD2 3.75Å; F347-L397 HydrophobicContact CE2-CG 4.46Å; F347-L397 HydrophobicContact CZ-CD1 4.32Å; F347-L397 HydrophobicContact CZ-CD2 3.81Å; F347-L397 HydrophobicContact CZ-CG 4.47Å; L354-L397 HydrophobicContact CD2-CD2 4.06Å; T393-L397 PolarHBondContact O-N 3.4Å; L394-L397 PolarHBondContact O-N 3.49Å; R395-L397 VanDerWaalsContact C-N 3.33Å; R395-L397 PolarHBondContact O-N 2.99Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 3.15Å; L397-H400 WeakPolarHBondContact O-CB 3.44Å; L397-H400 PolarHBondContact O-N 2.89Å; L397-L401 HydrophobicContact CD1-CD1 4.39Å; L397-L401 HydrophobicContact CD1-CG 4.22Å; L397-L401 HydrophobicContact CG-CD1 4.16Å; L397-L401 HydrophobicContact CG-CG 4.33Å; L397-L401 WeakPolarHBondContact O-CG 3.25Å; L397-L401 PolarHBondContact O-N 3.32Å; L397-F422 HydrophobicContact CD1-CE1 4.29Å; L397-F422 HydrophobicContact CD1-CZ 4.46Å; L397-F422 HydrophobicContact CD2-CD1 4.29Å; L397-F422 HydrophobicContact CD2-CE1 4.21Å; L397-L426 HydrophobicContact CD2-CD1 3.74Å; L397-L426 HydrophobicContact CD2-CD2 3.8Å; L397-L426 HydrophobicContact CD2-CG 4.39Å
398M98.8Very high98.4Very high0 Ų040.8 Ų40.80%020%0.204CC..Hα-helixtrans-63.2-41.2179.4-66.4-57.5100.400111.2L394 R395 H400 L401 K402 L426 V448 L451 I452 E455 F459L394-M398 HydrophobicContact CD1-CE 3.91Å; L394-M398 HydrophobicContact CD1-CG 4.16Å; L394-M398 HydrophobicContact CD1-SD 4.44Å; L394-M398 HydrophobicContact CG-CG 4.26Å; L394-M398 VanDerWaalsContact O-CG 3.31Å; L394-M398 WeakPolarHBondContact O-CG 3.31Å; L394-M398 PolarHBondContact O-N 3.37Å; R395-M398 PolarHBondContact O-N 3.35Å; M398-H400 VanDerWaalsContact C-N 3.31Å; M398-H400 PolarHBondContact O-N 3.42Å; M398-L401 HydrophobicContact CE-CD1 3.72Å; M398-L401 PolarHBondContact O-N 3.26Å; M398-K402 WeakPolarHBondContact O-CB 3.17Å; M398-K402 PolarHBondContact O-N 3.47Å; M398-L426 HydrophobicContact CE-CD1 3.92Å; M398-V448 HydrophobicContact CE-CG1 4.49Å; M398-L451 HydrophobicContact CG-CB 4.05Å; M398-L451 HydrophobicContact SD-CB 3.51Å; M398-L451 VanDerWaalsContact SD-CB 3.51Å; M398-L451 HydrophobicContact SD-CD1 4.42Å; M398-I452 HydrophobicContact SD-CG1 3.8Å; M398-E455 HydrophobicContact CB-CB 4.3Å; M398-E455 HydrophobicContact CB-CG 3.7Å; M398-F459 HydrophobicContact CB-CE2 4.19Å; M398-F459 HydrophobicContact CG-CE2 4.01Å; M398-F459 HydrophobicContact CG-CZ 4.37Å
399A98.8Very high98.4Very high31 Ų3144.7 Ų44.726%0.25621%0.21SC..Hα-helixtrans-58.9-43.317500000111.9R395 L397 R403 E455R395-A399 PolarHBondContact O-N 3.25Å; L397-A399 VanDerWaalsContact C-N 3.34Å; L397-A399 PolarHBondContact O-N 3.15Å; A399-R403 PolarHBondContact O-N 3.03Å; A399-R403 VanDerWaalsContact O-N 3.09Å; A399-E455 HydrophobicContact CB-CG 4.5Å; A399-E455 WeakPolarHBondContact CB-OE1 3.44Å
400H98.8Very high98.5Very high3 Ų350.3 Ų50.31%0.01423%0.234CC..Hα-helixtrans-63.2-49.5174.9171.361.6000112I289 E293 Y303 Y396 L397 M398 K402 R403 V404I289-H400 HydrophobicContact CD1-CB 3.94Å; I289-H400 HydrophobicContact CG1-CB 4.3Å; I289-H400 HydrophobicContact CG2-CB 3.92Å; E293-H400 VanDerWaalsContact CG-ND1 3.3Å; E293-H400 WeakPolarHBondContact CG-ND1 3.37Å; E293-H400 IonicContact OE1-CE1 2.65Å; E293-H400 IonicContact OE1-CG 2.58Å; E293-H400 IonicContact OE1-ND1 3.93Å; E293-H400 PolarHBondContact OE1-ND1 3.28Å; Y303-H400 AromaticContact CE2-NE2 3.52Å; Y303-H400 AromaticContact CZ-NE2 3.52Å; Y303-H400 PolarHBondContact OH-CD2 2.87Å; Y303-H400 PolarHBondContact OH-NE2 3.28Å; Y396-H400 PolarHBondContact O-N 3.42Å; Y396-H400 VanDerWaalsContact O-N 3.15Å; L397-H400 WeakPolarHBondContact O-CB 3.44Å; L397-H400 PolarHBondContact O-N 2.89Å; M398-H400 VanDerWaalsContact C-N 3.31Å; M398-H400 PolarHBondContact O-N 3.42Å; H400-K402 VanDerWaalsContact C-N 3.29Å; H400-K402 PolarHBondContact O-N 2.78Å; H400-R403 WeakPolarHBondContact O-CA 3.39Å; H400-R403 WeakPolarHBondContact O-CB 3.38Å; H400-R403 PolarHBondContact O-N 3.01Å; H400-V404 PolarHBondContact O-N 3.29Å
401L98.8Very high98.5Very high0 Ų050.2 Ų50.20%023%0.234CC..Hα-helixtrans-63.6-36.4179.6-65.7-175.7000111.6Y303 L397 M398 R403 V404 T405 L418 F422 I452Y303-L401 HydrophobicContact CD2-CD2 4.04Å; Y303-L401 HydrophobicContact CE2-CD2 3.65Å; L397-L401 HydrophobicContact CD1-CD1 4.39Å; L397-L401 HydrophobicContact CD1-CG 4.22Å; L397-L401 HydrophobicContact CG-CD1 4.16Å; L397-L401 HydrophobicContact CG-CG 4.33Å; L397-L401 WeakPolarHBondContact O-CG 3.25Å; L397-L401 PolarHBondContact O-N 3.32Å; M398-L401 HydrophobicContact CE-CD1 3.72Å; M398-L401 PolarHBondContact O-N 3.26Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.11Å; L401-V404 WeakPolarHBondContact O-CB 3.23Å; L401-V404 PolarHBondContact O-N 3.32Å; L401-V404 VanDerWaalsContact O-N 3.13Å; L401-T405 WeakPolarHBondContact O-CG2 3.44Å; L401-T405 PolarHBondContact O-N 3.39Å; L401-L418 HydrophobicContact CB-CD1 4.29Å; L401-L418 HydrophobicContact CD2-CD1 4.4Å; L401-L418 HydrophobicContact CD2-CD2 4.35Å; L401-F422 HydrophobicContact CD1-CD2 3.73Å; L401-F422 HydrophobicContact CD1-CE2 3.92Å; L401-F422 HydrophobicContact CD1-CG 4.05Å; L401-F422 HydrophobicContact CD1-CZ 4.39Å; L401-F422 HydrophobicContact CD2-CD2 4.17Å; L401-F422 HydrophobicContact CD2-CE2 3.58Å; L401-F422 HydrophobicContact CD2-CZ 4.05Å; L401-F422 HydrophobicContact CG-CE2 4.4Å; L401-I452 HydrophobicContact CB-CD1 4Å; L401-I452 HydrophobicContact CB-CG1 3.92Å; L401-I452 HydrophobicContact CB-CG2 4.49Å; L401-I452 HydrophobicContact CD1-CD1 3.87Å; L401-I452 HydrophobicContact CD1-CG1 4.19Å
402K98.6Very high98.5Very high58 Ų5852.1 Ų52.125%0.25224%0.241SC..Hα-helixtrans-58.1-45.3170.7-178.860.7161.4-155.80111M398 H400 V404 T405 L406 I452 K453M398-K402 WeakPolarHBondContact O-CB 3.17Å; M398-K402 PolarHBondContact O-N 3.47Å; H400-K402 VanDerWaalsContact C-N 3.29Å; H400-K402 PolarHBondContact O-N 2.78Å; K402-V404 VanDerWaalsContact C-N 3.32Å; K402-V404 PolarHBondContact O-N 2.99Å; K402-T405 PolarHBondContact O-N 3.47Å; K402-T405 VanDerWaalsContact O-N 3.14Å; K402-T405 PolarHBondContact O-OG1 3.19Å; K402-L406 PolarHBondContact O-N 2.66Å; K402-I452 WeakPolarHBondContact CD-O 3.36Å; K402-K453 PolarHBondContact NZ-O 2.57Å
403R98.6Very high98.5Very high122 Ų12249.9 Ų49.946%0.4623%0.231SC..Hα-helixtrans-60.8-36.8174.1179.2175.3-75.9167.9-2.9113E293 L297 A399 H400 L401 L406 H407E293-R403 IonicContact OE1-NH1 3.7Å; E293-R403 IonicContact OE2-CZ 3.95Å; E293-R403 IonicContact OE2-NH1 2.62Å; E293-R403 PolarHBondContact OE2-NH1 3.13Å; L297-R403 HydrophobicContact CD1-CG 4.07Å; L297-R403 HydrophobicContact CD2-CG 4.48Å; A399-R403 PolarHBondContact O-N 3.03Å; A399-R403 VanDerWaalsContact O-N 3.09Å; H400-R403 WeakPolarHBondContact O-CA 3.39Å; H400-R403 WeakPolarHBondContact O-CB 3.38Å; H400-R403 PolarHBondContact O-N 3.01Å; L401-R403 VanDerWaalsContact C-N 3.33Å; L401-R403 PolarHBondContact O-N 3.11Å; R403-L406 WeakPolarHBondContact O-CB 3.28Å; R403-L406 PolarHBondContact O-N 3.35Å; R403-H407 PolarHBondContact O-ND1 3.25Å
404V98.6Very high98.4Very high0 Ų051.9 Ų51.90%024%0.241CC..Hα-helixtrans-61.5-44173.3175.50000110.9L297 L302 Y303 H400 L401 K402 L406 H407 N411 M413 L418L297-V404 HydrophobicContact CD2-CG2 3.86Å; L302-V404 HydrophobicContact CD2-CG1 3.97Å; L302-V404 HydrophobicContact CD2-CG2 3.92Å; Y303-V404 HydrophobicContact CE2-CG2 4.24Å; H400-V404 PolarHBondContact O-N 3.29Å; L401-V404 WeakPolarHBondContact O-CB 3.23Å; L401-V404 PolarHBondContact O-N 3.32Å; L401-V404 VanDerWaalsContact O-N 3.13Å; K402-V404 VanDerWaalsContact C-N 3.32Å; K402-V404 PolarHBondContact O-N 2.99Å; V404-L406 PolarHBondContact O-N 3.39Å; V404-H407 PolarHBondContact O-N 3.42Å; V404-N411 PolarHBondContact O-ND2 3.5Å; V404-M413 HydrophobicContact CG1-CB 4.29Å; V404-L418 HydrophobicContact CB-CD1 4.26Å; V404-L418 HydrophobicContact CG1-CD1 4.07Å
405T98.5Very high98.4Very high22 Ų2252.2 Ų52.214%0.13524%0.244CC..Hα-helixtrans-63.3-26178.967.80000113.6L401 K402 H407 E408 A415 L418 I452L401-T405 WeakPolarHBondContact O-CG2 3.44Å; L401-T405 PolarHBondContact O-N 3.39Å; K402-T405 PolarHBondContact O-N 3.47Å; K402-T405 VanDerWaalsContact O-N 3.14Å; K402-T405 PolarHBondContact O-OG1 3.19Å; T405-H407 PolarHBondContact O-N 3.34Å; T405-E408 WeakPolarHBondContact O-CB 3.43Å; T405-E408 PolarHBondContact O-N 3.42Å; T405-A415 HydrophobicContact CG2-CB 4.27Å; T405-L418 HydrophobicContact CG2-CD1 3.74Å; T405-I452 HydrophobicContact CG2-CG2 3.83Å
406L98.2Very high98.4Very high131 Ų13153.8 Ų53.869%0.68626%0.255SS*.THydrogen-bonded Turntrans-66.7-16.9174.4-61.8176.8000113.3K402 R403 V404K402-L406 PolarHBondContact O-N 2.66Å; R403-L406 WeakPolarHBondContact O-CB 3.28Å; R403-L406 PolarHBondContact O-N 3.35Å; V404-L406 PolarHBondContact O-N 3.39Å
407H98.4Very high98.3Very high62 Ų6252.9 Ų52.929%0.28725%0.254SS..THydrogen-bonded Turntrans-105.216.7178.7-6079.7000112.4L297 N298 R403 V404 T405 K409 E410 N411L297-H407 WeakPolarHBondContact O-CB 3.28Å; N298-H407 PolarHBondContact OD1-CD2 3.45Å; R403-H407 PolarHBondContact O-ND1 3.25Å; V404-H407 PolarHBondContact O-N 3.42Å; T405-H407 PolarHBondContact O-N 3.34Å; H407-K409 PolarHBondContact O-N 3.21Å; H407-E410 PolarHBondContact O-N 2.97Å; H407-N411 WeakPolarHBondContact CB-ND2 3.3Å; H407-N411 VanDerWaalsContact O-CG 3.29Å; H407-N411 PolarHBondContact O-N 3.17Å; H407-N411 PolarHBondContact O-ND2 3.35Å; H407-N411 PolarHBondContact O-OD1 3.44Å
408E97.6Very high98.3Very high81 Ų8152.9 Ų52.938%0.37925%0.254SS..Hα-helixtrans-51.7-31.5-177.3-179.4-179.3179.400113.6T405 E410 N411 L412 N414T405-E408 WeakPolarHBondContact O-CB 3.43Å; T405-E408 PolarHBondContact O-N 3.42Å; E408-E410 PolarHBondContact O-N 3.22Å; E408-N411 VanDerWaalsContact CA-OD1 3.31Å; E408-N411 WeakPolarHBondContact CA-OD1 3.34Å; E408-L412 WeakPolarHBondContact O-CA 3.33Å; E408-L412 PolarHBondContact O-N 3.02Å; E408-N414 VanDerWaalsContact CD-CB 3.5Å; E408-N414 HydrophobicContact CG-CB 4.4Å; E408-N414 WeakPolarHBondContact OE1-CB 3.35Å; E408-N414 PolarHBondContact OE1-ND2 3.07Å; E408-N414 WeakPolarHBondContact OE2-CB 3.19Å
409K98Very high98.3Very high196 Ų19652.9 Ų52.985%0.85225%0.254SS*.Hα-helixtrans-59.8-31.3179-65.4-174.9-179.7179.50113.6H407H407-K409 PolarHBondContact O-N 3.21Å
410E98Very high98.1Very high127 Ų12755 Ų5559%0.59326%0.26SS*.Hα-helixtrans-101.1-49.1179.8-59.8-64.9149.700110.6N298 H407 E408N298-E410 HydrophobicContact CB-CB 3.99Å; N298-E410 HydrophobicContact CB-CG 4.47Å; H407-E410 PolarHBondContact O-N 2.97Å; E408-E410 PolarHBondContact O-N 3.22Å
411N98.1Very high98Very high0 Ų056.1 Ų56.10%027%0.267CS..Hα-helixtrans-84.3-14.1-173.569.433.1000114.4L297 S299 G301 V404 H407 E408 M413L297-N411 WeakPolarHBondContact O-CB 3.48Å; L297-N411 PolarHBondContact O-ND2 3.45Å; S299-N411 WeakPolarHBondContact O-CB 3.47Å; G301-N411 PolarHBondContact N-O 3.34Å; V404-N411 PolarHBondContact O-ND2 3.5Å; H407-N411 WeakPolarHBondContact CB-ND2 3.3Å; H407-N411 VanDerWaalsContact O-CG 3.29Å; H407-N411 PolarHBondContact O-N 3.17Å; H407-N411 PolarHBondContact O-ND2 3.35Å; H407-N411 PolarHBondContact O-OD1 3.44Å; E408-N411 VanDerWaalsContact CA-OD1 3.31Å; E408-N411 WeakPolarHBondContact CA-OD1 3.34Å; N411-M413 WeakPolarHBondContact O-CG 3.3Å; N411-M413 PolarHBondContact O-N 2.94Å; N411-M413 WeakPolarHBondContact OD1-CB 3.48Å; N411-M413 PolarHBondContact OD1-N 3.44Å
412L98Very high98Very high78 Ų7856.1 Ų56.141%0.40827%0.267SS..  trans61.923.3-179.4-46-179000115.1E300 E408 N417E300-L412 HydrophobicContact CG-CD1 3.8Å; E300-L412 HydrophobicContact CG-CG 4.19Å; E408-L412 WeakPolarHBondContact O-CA 3.33Å; E408-L412 PolarHBondContact O-N 3.02Å; L412-N417 PolarHBondContact O-ND2 3.43Å; L412-N417 VanDerWaalsContact O-ND2 3.1Å
413M98.2Very high97.9Very high0 Ų053.3 Ų53.30%026%0.255CS..  trans-115.295.5-176.4-64.2-60.1-62.800112.3L302 R304 V404 N411 N417 L418L302-M413 WeakPolarHBondContact O-CE 3.44Å; L302-M413 WeakPolarHBondContact O-CG 3.46Å; R304-M413 HydrophobicContact CB-CE 3.9Å; R304-M413 HydrophobicContact CB-SD 3.89Å; V404-M413 HydrophobicContact CG1-CB 4.29Å; N411-M413 WeakPolarHBondContact O-CG 3.3Å; N411-M413 PolarHBondContact O-N 2.94Å; N411-M413 WeakPolarHBondContact OD1-CB 3.48Å; N411-M413 PolarHBondContact OD1-N 3.44Å; M413-N417 HydrophobicContact CE-CB 3.73Å; M413-N417 HydrophobicContact SD-CB 4.11Å; M413-L418 HydrophobicContact CB-CD2 4.33Å; M413-L418 HydrophobicContact CB-CG 4.29Å; M413-L418 HydrophobicContact CE-CD2 3.66Å; M413-L418 HydrophobicContact CE-CG 4.05Å
414N98.3Very high97.7Very high41 Ų4150.4 Ų50.422%0.21925%0.252CS..  trans-81.5177166.857.442000113.1E408 E416 N417 L418E408-N414 VanDerWaalsContact CD-CB 3.5Å; E408-N414 HydrophobicContact CG-CB 4.4Å; E408-N414 WeakPolarHBondContact OE1-CB 3.35Å; E408-N414 PolarHBondContact OE1-ND2 3.07Å; E408-N414 WeakPolarHBondContact OE2-CB 3.19Å; N414-E416 VanDerWaalsContact C-N 3.29Å; N414-E416 PolarHBondContact O-N 2.83Å; N414-E416 WeakPolarHBondContact OD1-CB 3.37Å; N414-E416 PolarHBondContact OD1-N 2.8Å; N414-E416 VanDerWaalsContact OD1-N 3.15Å; N414-N417 PolarHBondContact O-N 3.47Å; N414-N417 WeakPolarHBondContact OD1-CB 3.17Å; N414-N417 VanDerWaalsContact OD1-CG 3.29Å; N414-N417 PolarHBondContact OD1-N 2.88Å; N414-L418 WeakPolarHBondContact O-CG 3.37Å; N414-L418 PolarHBondContact O-N 3.07Å
415A98.3Very high97.5Very high7 Ų751.4 Ų51.46%0.05826%0.258CS..Hα-helixtrans-60.2-34.6178.800000113.4T405 G419 E449 I452 K453T405-A415 HydrophobicContact CG2-CB 4.27Å; A415-G419 PolarHBondContact O-N 3.42Å; A415-E449 HydrophobicContact CB-CG 3.97Å; A415-I452 HydrophobicContact CB-CB 4.15Å; A415-I452 HydrophobicContact CB-CG2 3.86Å; A415-K453 HydrophobicContact CB-CD 4.42Å; A415-K453 HydrophobicContact CB-CG 3.75Å
416E97.9Very high97.4Very high110 Ų11050.4 Ų50.451%0.51425%0.252SS..Hα-helixtrans-68.4-48.2177.5-176.9-177.8175.700110.6N414 L418 G419 I420N414-E416 VanDerWaalsContact C-N 3.29Å; N414-E416 PolarHBondContact O-N 2.83Å; N414-E416 WeakPolarHBondContact OD1-CB 3.37Å; N414-E416 PolarHBondContact OD1-N 2.8Å; N414-E416 VanDerWaalsContact OD1-N 3.15Å; E416-L418 VanDerWaalsContact C-N 3.33Å; E416-L418 PolarHBondContact O-N 2.63Å; E416-G419 CarbonylContact O-C 3.44Å; E416-G419 WeakPolarHBondContact O-CA 3.5Å; E416-G419 PolarHBondContact O-N 3.41Å; E416-G419 VanDerWaalsContact O-N 3.08Å; E416-I420 WeakPolarHBondContact O-CG1 3.27Å; E416-I420 PolarHBondContact O-N 2.82Å
417N97.8Very high97.3Very high42 Ų4244.2 Ų44.223%0.22522%0.219CC..Hα-helixtrans-59.8-42.1176.5-71.9-11.2000111.7L412 M413 N414 I420L412-N417 PolarHBondContact O-ND2 3.43Å; L412-N417 VanDerWaalsContact O-ND2 3.1Å; M413-N417 HydrophobicContact CE-CB 3.73Å; M413-N417 HydrophobicContact SD-CB 4.11Å; N414-N417 PolarHBondContact O-N 3.47Å; N414-N417 WeakPolarHBondContact OD1-CB 3.17Å; N414-N417 VanDerWaalsContact OD1-CG 3.29Å; N414-N417 PolarHBondContact OD1-N 2.88Å; N417-I420 PolarHBondContact O-N 2.94Å
418L98.3Very high96.9Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-69-36.8174.3-70.1171.4000111.8Y303 L401 V404 T405 M413 N414 E416 I420 V421 F422 I452Y303-L418 HydrophobicContact CD2-CD2 3.92Å; Y303-L418 HydrophobicContact CG-CD2 4.41Å; L401-L418 HydrophobicContact CB-CD1 4.29Å; L401-L418 HydrophobicContact CD2-CD1 4.4Å; L401-L418 HydrophobicContact CD2-CD2 4.35Å; V404-L418 HydrophobicContact CB-CD1 4.26Å; V404-L418 HydrophobicContact CG1-CD1 4.07Å; T405-L418 HydrophobicContact CG2-CD1 3.74Å; M413-L418 HydrophobicContact CB-CD2 4.33Å; M413-L418 HydrophobicContact CB-CG 4.29Å; M413-L418 HydrophobicContact CE-CD2 3.66Å; M413-L418 HydrophobicContact CE-CG 4.05Å; N414-L418 WeakPolarHBondContact O-CG 3.37Å; N414-L418 PolarHBondContact O-N 3.07Å; E416-L418 VanDerWaalsContact C-N 3.33Å; E416-L418 PolarHBondContact O-N 2.63Å; L418-I420 VanDerWaalsContact C-N 3.3Å; L418-I420 PolarHBondContact O-N 3.02Å; L418-V421 PolarHBondContact O-N 3.35Å; L418-V421 VanDerWaalsContact O-N 3.14Å; L418-F422 PolarHBondContact O-N 3.37Å; L418-I452 HydrophobicContact CB-CD1 3.77Å; L418-I452 HydrophobicContact CD1-CD1 4.41Å
419G97.8Very high96.5Very high0 Ų039.1 Ų39.10%020%0.196CC..Hα-helixtrans-60.2-37.3173.700000112.8A415 E416 V421 G423 R445A415-G419 PolarHBondContact O-N 3.42Å; E416-G419 CarbonylContact O-C 3.44Å; E416-G419 WeakPolarHBondContact O-CA 3.5Å; E416-G419 PolarHBondContact O-N 3.41Å; E416-G419 VanDerWaalsContact O-N 3.08Å; G419-V421 VanDerWaalsContact C-N 3.31Å; G419-V421 PolarHBondContact O-N 2.85Å; G419-G423 WeakPolarHBondContact O-CA 3.45Å; G419-G423 PolarHBondContact O-N 2.99Å; G419-R445 WeakPolarHBondContact O-CA 3.34Å
420I96Very high95.9Very high74 Ų7431.5 Ų31.538%0.37917%0.167SC..Hα-helixtrans-58.7-42.8173-68166.4000111.5E416 N417 L418 P424E416-I420 WeakPolarHBondContact O-CG1 3.27Å; E416-I420 PolarHBondContact O-N 2.82Å; N417-I420 PolarHBondContact O-N 2.94Å; L418-I420 VanDerWaalsContact C-N 3.3Å; L418-I420 PolarHBondContact O-N 3.02Å; I420-P424 VanDerWaalsContact O-CD 3.3Å; I420-P424 WeakPolarHBondContact O-CD 3.43Å
421V96.7Very high94.9Very high27 Ų2731.3 Ų31.316%0.16417%0.166CC..Hα-helixtrans-76.5-48-178.2178.70000111.6Y303 R304 K344 L418 G419 T425Y303-V421 WeakPolarHBondContact O-CG1 3.5Å; R304-V421 HydrophobicContact CB-CG2 4.37Å; K344-V421 HydrophobicContact CD-CG1 3.7Å; L418-V421 PolarHBondContact O-N 3.35Å; L418-V421 VanDerWaalsContact O-N 3.14Å; G419-V421 VanDerWaalsContact C-N 3.31Å; G419-V421 PolarHBondContact O-N 2.85Å; V421-T425 PolarHBondContact O-OG1 2.96Å
422F98.1Very high93.5Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-88.4-24.1-170.7-82.8-80.3000114Y303 K344 F347 L397 L401 L418 T425 L426 V448Y303-F422 AromaticContact CD1-CE2 3.67Å; Y303-F422 HydrophobicContact CD1-CE2 3.67Å; Y303-F422 AromaticContact CD1-CZ 3.54Å; Y303-F422 HydrophobicContact CD1-CZ 3.54Å; Y303-F422 HydrophobicContact CD2-CE2 4.02Å; Y303-F422 HydrophobicContact CD2-CZ 4.49Å; Y303-F422 HydrophobicContact CE1-CE2 4.09Å; Y303-F422 AromaticContact CE1-CZ 3.62Å; Y303-F422 HydrophobicContact CE1-CZ 3.62Å; Y303-F422 HydrophobicContact CE2-CE2 4.39Å; Y303-F422 AromaticContact CG-CE2 3.64Å; Y303-F422 HydrophobicContact CG-CE2 3.64Å; Y303-F422 HydrophobicContact CG-CZ 4.02Å; K344-F422 HydrophobicContact CG-CE1 4.33Å; K344-F422 HydrophobicContact CG-CZ 4.24Å; F347-F422 HydrophobicContact CD2-CE1 4.43Å; L397-F422 HydrophobicContact CD1-CE1 4.29Å; L397-F422 HydrophobicContact CD1-CZ 4.46Å; L397-F422 HydrophobicContact CD2-CD1 4.29Å; L397-F422 HydrophobicContact CD2-CE1 4.21Å; L401-F422 HydrophobicContact CD1-CD2 3.73Å; L401-F422 HydrophobicContact CD1-CE2 3.92Å; L401-F422 HydrophobicContact CD1-CG 4.05Å; L401-F422 HydrophobicContact CD1-CZ 4.39Å; L401-F422 HydrophobicContact CD2-CD2 4.17Å; L401-F422 HydrophobicContact CD2-CE2 3.58Å; L401-F422 HydrophobicContact CD2-CZ 4.05Å; L401-F422 HydrophobicContact CG-CE2 4.4Å; L418-F422 PolarHBondContact O-N 3.37Å; F422-T425 HydrophobicContact CD1-CG2 4.44Å; F422-T425 PolarHBondContact O-N 3.33Å; F422-L426 HydrophobicContact CB-CD1 4.03Å; F422-L426 HydrophobicContact CB-CG 4.18Å; F422-L426 HydrophobicContact CD1-CD1 4.1Å; F422-L426 HydrophobicContact CD1-CD2 4.06Å; F422-L426 HydrophobicContact CD1-CG 3.98Å; F422-L426 HydrophobicContact CG-CD1 4.46Å; F422-L426 WeakPolarHBondContact O-CB 3.25Å; F422-L426 VanDerWaalsContact O-CG 3.3Å; F422-L426 WeakPolarHBondContact O-CG 3.25Å; F422-L426 PolarHBondContact O-N 2.84Å; F422-V448 HydrophobicContact CB-CG1 3.82Å
423G96.8Very high92.5Very high0 Ų038.1 Ų38.10%020%0.202CC..Hα-helixtrans-47.4-62.2174.300000113.2G419 T425 M427G419-G423 WeakPolarHBondContact O-CA 3.45Å; G419-G423 PolarHBondContact O-N 2.99Å; G423-T425 PolarHBondContact O-N 3.38Å; G423-M427 WeakPolarHBondContact O-CB 3.42Å; G423-M427 PolarHBondContact O-N 2.84Å; G423-M427 VanDerWaalsContact O-N 3.13Å
424P93.4Very high91.2Very high61 Ų6140.5 Ų40.540%0.39622%0.222SC..Hα-helixtrans-71.2-16.617829.1-35.7000114I420I420-P424 VanDerWaalsContact O-CD 3.3Å; I420-P424 WeakPolarHBondContact O-CD 3.43Å
425T94.6Very high90.1Very high21 Ų2144.2 Ų44.213%0.12924%0.239CC..Hα-helixtrans-80.4-39.1178.6-59.80000111.6F347 V421 F422 G423F347-T425 HydrophobicContact CB-CG2 3.81Å; V421-T425 PolarHBondContact O-OG1 2.96Å; F422-T425 HydrophobicContact CD1-CG2 4.44Å; F422-T425 PolarHBondContact O-N 3.33Å; G423-T425 PolarHBondContact O-N 3.38Å
426L97.6Very high88.8Confident0 Ų045.6 Ų45.60%025%0.25CS..Hα-helixtrans-95.3-21.8-173.2-58.7-176.1000113.3F347 L354 I355 L394 L397 M398 F422 V448F347-L426 HydrophobicContact CB-CD2 4Å; F347-L426 HydrophobicContact CD1-CD2 4.15Å; F347-L426 HydrophobicContact CD2-CD2 4.07Å; F347-L426 HydrophobicContact CG-CD2 3.81Å; L354-L426 HydrophobicContact CB-CD2 4.14Å; L354-L426 HydrophobicContact CD2-CD1 4.47Å; L354-L426 HydrophobicContact CD2-CD2 3.77Å; L354-L426 PolarHBondContact N-O 3.03Å; I355-L426 PolarHBondContact N-O 3.33Å; L394-L426 HydrophobicContact CD1-CD1 4.27Å; L397-L426 HydrophobicContact CD2-CD1 3.74Å; L397-L426 HydrophobicContact CD2-CD2 3.8Å; L397-L426 HydrophobicContact CD2-CG 4.39Å; M398-L426 HydrophobicContact CE-CD1 3.92Å; F422-L426 HydrophobicContact CB-CD1 4.03Å; F422-L426 HydrophobicContact CB-CG 4.18Å; F422-L426 HydrophobicContact CD1-CD1 4.1Å; F422-L426 HydrophobicContact CD1-CD2 4.06Å; F422-L426 HydrophobicContact CD1-CG 3.98Å; F422-L426 HydrophobicContact CG-CD1 4.46Å; F422-L426 WeakPolarHBondContact O-CB 3.25Å; F422-L426 VanDerWaalsContact O-CG 3.3Å; F422-L426 WeakPolarHBondContact O-CG 3.25Å; F422-L426 PolarHBondContact O-N 2.84Å; L426-V448 HydrophobicContact CD1-CG2 4.25Å
427M95Very high87.8Confident1 Ų140.6 Ų40.61%0.00523%0.228CC..  trans-121.6141.2-176.8-58.2-179.273.500110.9I355 Y360 F363 I364 G423 Q444 V447I355-M427 HydrophobicContact CB-CG 3.88Å; I355-M427 HydrophobicContact CD1-CG 3.52Å; I355-M427 HydrophobicContact CD1-SD 3.85Å; I355-M427 HydrophobicContact CG1-CG 4.23Å; I355-M427 HydrophobicContact CG2-CE 4.17Å; I355-M427 HydrophobicContact CG2-CG 4.12Å; Y360-M427 HydrophobicContact CD2-CB 4.16Å; Y360-M427 HydrophobicContact CD2-CE 3.78Å; Y360-M427 HydrophobicContact CE2-CB 4.07Å; Y360-M427 HydrophobicContact CE2-CE 3.94Å; F363-M427 HydrophobicContact CB-CE 3.7Å; F363-M427 HydrophobicContact CG-CE 4.45Å; I364-M427 HydrophobicContact CD1-CE 3.78Å; I364-M427 HydrophobicContact CG1-CE 4.33Å; G423-M427 WeakPolarHBondContact O-CB 3.42Å; G423-M427 PolarHBondContact O-N 2.84Å; G423-M427 VanDerWaalsContact O-N 3.13Å; M427-Q444 HydrophobicContact CB-CB 4.39Å; M427-Q444 HydrophobicContact CB-CG 3.99Å; M427-Q444 HydrophobicContact CE-CG 4.29Å; M427-Q444 HydrophobicContact SD-CB 3.92Å; M427-Q444 HydrophobicContact SD-CG 4.01Å; M427-V447 HydrophobicContact CE-CG1 4.37Å; M427-V447 HydrophobicContact CE-CG2 4.38Å; M427-V447 HydrophobicContact SD-CB 3.98Å; M427-V447 HydrophobicContact SD-CG1 3.87Å; M427-V447 HydrophobicContact SD-CG2 4.43Å
428R91.6Very high86.8Confident24 Ų2442.2 Ų42.29%0.09124%0.236CC..  trans-137.7129.6171.1-61.7-174.4-69.5-126.35.1109.1R348 L350 P351 P353 Y357 Y360R348-R428 PolarHBondContact O-NH1 2.97Å; L350-R428 PolarHBondContact O-NH1 2.86Å; L350-R428 PolarHBondContact O-NH2 3.27Å; P351-R428 PolarHBondContact O-NH2 2.89Å; P353-R428 HydrophobicContact CB-CB 4.48Å; P353-R428 HydrophobicContact CB-CG 4.26Å; P353-R428 VanDerWaalsContact CD-NH2 3.26Å; P353-R428 HydrophobicContact CG-CB 4.2Å; P353-R428 HydrophobicContact CG-CG 4.49Å; P353-R428 VanDerWaalsContact N-NH2 3.15Å; Y357-R428 WeakPolarHBondContact CD1-O 3.38Å; Y357-R428 HydrophobicContact CE1-CB 3.85Å; Y357-R428 WeakPolarHBondContact CE1-O 3.13Å; Y357-R428 PolarHBondContact OH-NE 3Å; Y360-R428 WeakPolarHBondContact CD2-O 3.2Å
429S89.1Confident85.9Confident13 Ų1347.2 Ų47.29%0.09126%0.263CS..  trans-61.3135.5175.8-176.60000110.3E431S429-E431 WeakPolarHBondContact OG-CB 3.38Å; S429-E431 PolarHBondContact OG-N 2.89Å
430P85.1Confident85.4Confident36 Ų3648.5 Ų48.523%0.23427%0.27CS..  trans-74.6-13.7171.331-33.8000112.6Y357 Y360Y357-P430 HydrophobicContact CD1-CB 3.97Å; Y360-P430 VanDerWaalsContact CD1-CD 3.48Å; Y360-P430 HydrophobicContact CD1-CG 4.34Å
431E76.1Confident85Confident123 Ų12346.6 Ų46.658%0.57526%0.26SS*.  trans-66.7138.4-177.5-64.8-63.1157.200112.2S429 D433S429-E431 WeakPolarHBondContact OG-CB 3.38Å; S429-E431 PolarHBondContact OG-N 2.89Å; E431-D433 VanDerWaalsContact C-N 3.31Å
432L69.6Low84.8Confident131 Ų13153.3 Ų53.369%0.68628%0.282SS*.SBendtrans-75.5-22.6175-68.6169.1000112.3Y19 A434Y19-L432 HydrophobicContact CD2-CD1 3.96Å; Y19-L432 HydrophobicContact CD2-CD2 3.95Å; Y19-L432 HydrophobicContact CD2-CG 4.38Å; Y19-L432 HydrophobicContact CE2-CD1 3.79Å; Y19-L432 HydrophobicContact CG-CD2 4.27Å; L432-A434 PolarHBondContact O-N 3.41Å
433D76.4Confident84.7Confident89 Ų8956.5 Ų56.548%0.47630%0.295SS..  trans-80.8112.5178.4-179.516.4000111.2E431 M435 A436 A437E431-D433 VanDerWaalsContact C-N 3.31Å; D433-M435 PolarHBondContact O-N 3.47Å; D433-M435 PolarHBondContact OD1-N 2.94Å; D433-A436 HydrophobicContact CB-CB 4.15Å; D433-A436 PolarHBondContact O-N 3.36Å; D433-A436 PolarHBondContact OD2-N 2.8Å; D433-A437 PolarHBondContact O-N 2.85Å; D433-A437 VanDerWaalsContact O-N 3.11Å
434A71.4Confident84.6Confident50 Ų5057 Ų5741%0.41330%0.297SS..Hα-helixtrans-60-32.2177.600000112.5L432 A437 L438L432-A434 PolarHBondContact O-N 3.41Å; A434-A437 PolarHBondContact O-N 3.26Å; A434-L438 VanDerWaalsContact O-CG 3.28Å; A434-L438 WeakPolarHBondContact O-CG 3.17Å; A434-L438 PolarHBondContact O-N 2.76Å
435M73.9Confident84.8Confident119 Ų11958.9 Ų58.959%0.58630%0.297SS*.Hα-helixtrans-71.7-41.6-179.2-68.5-63.5127.100111.9D433 A437 L438 N439D433-M435 PolarHBondContact O-N 3.47Å; D433-M435 PolarHBondContact OD1-N 2.94Å; M435-A437 VanDerWaalsContact C-N 3.32Å; M435-A437 PolarHBondContact O-N 3.34Å; M435-L438 HydrophobicContact CE-CD1 3.76Å; M435-L438 PolarHBondContact O-N 3.41Å; M435-L438 HydrophobicContact SD-CD1 4.02Å; M435-N439 PolarHBondContact O-N 2.89Å; M435-N439 PolarHBondContact O-ND2 3.26Å
436A72.5Confident84.9Confident36 Ų3660.4 Ų60.430%0.29830%0.304SS..Hα-helixtrans-60-43.6171.200000111.3D433 L438 N439D433-A436 HydrophobicContact CB-CB 4.15Å; D433-A436 PolarHBondContact O-N 3.36Å; D433-A436 PolarHBondContact OD2-N 2.8Å; A436-L438 VanDerWaalsContact C-N 3.33Å; A436-L438 PolarHBondContact O-N 2.65Å; A436-N439 PolarHBondContact O-N 3.5Å
437A75.4Confident85Confident5 Ų560.4 Ų60.44%0.04130%0.304CS..Hα-helixtrans-62.7-35.2177.400000113.4D433 A434 M435 D440D433-A437 PolarHBondContact O-N 2.85Å; D433-A437 VanDerWaalsContact O-N 3.11Å; A434-A437 PolarHBondContact O-N 3.26Å; M435-A437 VanDerWaalsContact C-N 3.32Å; M435-A437 PolarHBondContact O-N 3.34Å; A437-D440 PolarHBondContact O-N 3Å
438L76.9Confident85.1Confident76 Ų7660.4 Ų60.440%0.39830%0.304SS..Hα-helixtrans-66.1-35.5177-74.8172000112.6A434 M435 A436 D440 I441A434-L438 VanDerWaalsContact O-CG 3.28Å; A434-L438 WeakPolarHBondContact O-CG 3.17Å; A434-L438 PolarHBondContact O-N 2.76Å; M435-L438 HydrophobicContact CE-CD1 3.76Å; M435-L438 PolarHBondContact O-N 3.41Å; M435-L438 HydrophobicContact SD-CD1 4.02Å; A436-L438 VanDerWaalsContact C-N 3.33Å; A436-L438 PolarHBondContact O-N 2.65Å; L438-D440 PolarHBondContact O-N 3.4Å; L438-I441 HydrophobicContact CD2-CD1 3.66Å; L438-I441 PolarHBondContact O-N 3.28Å
439N80.1Confident85.5Confident105 Ų10560.6 Ų60.656%0.56131%0.305SS*.Hα-helixtrans-64.8-31.4178.5-71.2-33.7000112.3M435 A436M435-N439 PolarHBondContact O-N 2.89Å; M435-N439 PolarHBondContact O-ND2 3.26Å; A436-N439 PolarHBondContact O-N 3.5Å
440D86.7Confident85.9Confident27 Ų2760.8 Ų60.814%0.14431%0.305CS..Hα-helixtrans-79.1-15-178.8-78.6-8.6000114.3Y360 I364 A437 L438 R442 Y443 Q444Y360-D440 WeakPolarHBondContact OH-CB 3.42Å; Y360-D440 PolarHBondContact OH-OD2 2.81Å; I364-D440 HydrophobicContact CD1-CB 4.38Å; A437-D440 PolarHBondContact O-N 3Å; L438-D440 PolarHBondContact O-N 3.4Å; D440-R442 PolarHBondContact O-N 3.24Å; D440-R442 VanDerWaalsContact O-N 3.12Å; D440-Y443 WeakPolarHBondContact O-CA 3.14Å; D440-Y443 WeakPolarHBondContact O-CB 3.47Å; D440-Y443 PolarHBondContact O-N 3.07Å; D440-Q444 PolarHBondContact O-N 3.49Å
441I88.6Confident86.5Confident34 Ų3459 Ų5917%0.17429%0.294CS..Hα-helixtrans-54.5-38.6-176.8-69.3177.2000111.4L438 Y443 Q444 R445L438-I441 HydrophobicContact CD2-CD1 3.66Å; L438-I441 PolarHBondContact O-N 3.28Å; I441-Y443 VanDerWaalsContact C-N 3.28Å; I441-Y443 PolarHBondContact O-N 2.83Å; I441-Q444 PolarHBondContact O-N 2.84Å; I441-R445 VanDerWaalsContact O-CG 3.27Å; I441-R445 WeakPolarHBondContact O-CG 3.31Å; I441-R445 PolarHBondContact O-N 2.86Å; I441-R445 VanDerWaalsContact O-N 3.15Å
442R92.4Very high87.6Confident168 Ų16853.2 Ų53.263%0.63427%0.267SS*.Hα-helixtrans-60.4-39.7176.971.8-179.166.5-160.2-1.6112.2D440 L446D440-R442 PolarHBondContact O-N 3.24Å; D440-R442 VanDerWaalsContact O-N 3.12Å; R442-L446 PolarHBondContact O-N 3.44Å; R442-L446 VanDerWaalsContact O-N 3.16Å
443Y95.3Very high89Confident67 Ų6751.6 Ų51.626%0.26325%0.254SS..Hα-helixtrans-76.9-35.9-178.4-61.9-63.5000110.8I364 A367 K368 D440 I441 R445 L446 V447I364-Y443 HydrophobicContact CG2-CD2 4.39Å; A367-Y443 HydrophobicContact CB-CD1 4.03Å; A367-Y443 HydrophobicContact CB-CG 4.48Å; K368-Y443 HydrophobicContact CD-CE2 4.49Å; K368-Y443 HydrophobicContact CG-CD1 3.98Å; K368-Y443 HydrophobicContact CG-CD2 4.47Å; K368-Y443 HydrophobicContact CG-CE1 3.62Å; K368-Y443 HydrophobicContact CG-CE2 4.17Å; K368-Y443 HydrophobicContact CG-CG 4.4Å; D440-Y443 WeakPolarHBondContact O-CA 3.14Å; D440-Y443 WeakPolarHBondContact O-CB 3.47Å; D440-Y443 PolarHBondContact O-N 3.07Å; I441-Y443 VanDerWaalsContact C-N 3.28Å; I441-Y443 PolarHBondContact O-N 2.83Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 2.78Å; Y443-L446 PolarHBondContact O-N 3.05Å; Y443-V447 VanDerWaalsContact O-CG2 3.28Å; Y443-V447 WeakPolarHBondContact O-CG2 3.32Å; Y443-V447 PolarHBondContact O-N 3.19Å
444Q95.5Very high90Very high10 Ų1049.2 Ų49.25%0.04724%0.241CC..Hα-helixtrans-58.1-42.9173-65.3168.26.100111.9Y360 I364 M427 D440 I441 V448Y360-Q444 HydrophobicContact CE2-CG 4.12Å; Y360-Q444 PolarHBondContact OH-NE2 3.24Å; I364-Q444 HydrophobicContact CD1-CG 3.94Å; M427-Q444 HydrophobicContact CB-CB 4.39Å; M427-Q444 HydrophobicContact CB-CG 3.99Å; M427-Q444 HydrophobicContact CE-CG 4.29Å; M427-Q444 HydrophobicContact SD-CB 3.92Å; M427-Q444 HydrophobicContact SD-CG 4.01Å; D440-Q444 PolarHBondContact O-N 3.49Å; I441-Q444 PolarHBondContact O-N 2.84Å; Q444-V448 PolarHBondContact O-N 2.82Å
445R96.7Very high91.2Very high102 Ų10248.3 Ų48.339%0.38523%0.229SC..Hα-helixtrans-63-47176-63.3171.7-178.2172.93.9111.4G419 I441 Y443 V448 E449G419-R445 WeakPolarHBondContact O-CA 3.34Å; I441-R445 VanDerWaalsContact O-CG 3.27Å; I441-R445 WeakPolarHBondContact O-CG 3.31Å; I441-R445 PolarHBondContact O-N 2.86Å; I441-R445 VanDerWaalsContact O-N 3.15Å; Y443-R445 VanDerWaalsContact C-N 3.29Å; Y443-R445 PolarHBondContact O-N 2.78Å; R445-V448 PolarHBondContact O-N 2.87Å; R445-E449 PolarHBondContact O-N 3.25Å
446L97.4Very high92.2Very high53 Ų5347.8 Ų47.828%0.27723%0.229SC..Hα-helixtrans-63.3-40.8179-179.258.6000112.4A367 R442 Y443 V448 E449 L450A367-L446 HydrophobicContact CB-CB 4.49Å; A367-L446 HydrophobicContact CB-CD2 4.14Å; A367-L446 HydrophobicContact CB-CG 4.34Å; R442-L446 PolarHBondContact O-N 3.44Å; R442-L446 VanDerWaalsContact O-N 3.16Å; Y443-L446 PolarHBondContact O-N 3.05Å; L446-V448 VanDerWaalsContact C-N 3.34Å; L446-V448 PolarHBondContact O-N 3.49Å; L446-E449 WeakPolarHBondContact O-CB 3.3Å; L446-E449 PolarHBondContact O-N 2.68Å; L446-L450 HydrophobicContact CD1-CD1 4.29Å; L446-L450 HydrophobicContact CD1-CG 4.12Å; L446-L450 HydrophobicContact CG-CD1 4.08Å; L446-L450 HydrophobicContact CG-CG 4.38Å; L446-L450 WeakPolarHBondContact O-CB 3.38Å; L446-L450 VanDerWaalsContact O-CG 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.33Å
447V98.5Very high93.3Very high0 Ų051.1 Ų51.10%024%0.24CC..Hα-helixtrans-55.5-50.8175.1165.60000110.4I355 F363 A367 L379 M427 Y443 E449 L450 L451I355-V447 HydrophobicContact CD1-CG1 4.27Å; F363-V447 HydrophobicContact CB-CG1 4.29Å; F363-V447 HydrophobicContact CB-CG2 4.22Å; F363-V447 HydrophobicContact CD1-CG1 3.6Å; F363-V447 HydrophobicContact CE1-CG1 4.38Å; F363-V447 HydrophobicContact CG-CG1 4.32Å; F363-V447 WeakPolarHBondContact O-CG2 3.47Å; A367-V447 HydrophobicContact CB-CG2 3.7Å; L379-V447 HydrophobicContact CD1-CG1 4.29Å; M427-V447 HydrophobicContact CE-CG1 4.37Å; M427-V447 HydrophobicContact CE-CG2 4.38Å; M427-V447 HydrophobicContact SD-CB 3.98Å; M427-V447 HydrophobicContact SD-CG1 3.87Å; M427-V447 HydrophobicContact SD-CG2 4.43Å; Y443-V447 VanDerWaalsContact O-CG2 3.28Å; Y443-V447 WeakPolarHBondContact O-CG2 3.32Å; Y443-V447 PolarHBondContact O-N 3.19Å; V447-E449 PolarHBondContact O-N 3.23Å; V447-L450 PolarHBondContact O-N 3.31Å; V447-L451 HydrophobicContact CG1-CD1 3.87Å; V447-L451 HydrophobicContact CG1-CG 4.4Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.16Å; V447-L451 PolarHBondContact O-N 2.84Å
448V98.5Very high94.2Very high0 Ų051.3 Ų51.30%024%0.241CC..Hα-helixtrans-66.5-39.6-179.2175.80000111.3M398 F422 L426 Q444 R445 L446 L450 L451 I452M398-V448 HydrophobicContact CE-CG1 4.49Å; F422-V448 HydrophobicContact CB-CG1 3.82Å; L426-V448 HydrophobicContact CD1-CG2 4.25Å; Q444-V448 PolarHBondContact O-N 2.82Å; R445-V448 PolarHBondContact O-N 2.87Å; L446-V448 VanDerWaalsContact C-N 3.34Å; L446-V448 PolarHBondContact O-N 3.49Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.33Å; V448-L451 PolarHBondContact O-N 3.07Å; V448-I452 HydrophobicContact CG1-CD1 3.84Å; V448-I452 HydrophobicContact CG1-CG1 4.34Å; V448-I452 VanDerWaalsContact O-CG1 3.25Å; V448-I452 WeakPolarHBondContact O-CG1 3.39Å; V448-I452 PolarHBondContact O-N 3.41Å
449E98.6Very high95Very high28 Ų2851.6 Ų51.613%0.13124%0.239CC..Hα-helixtrans-57.3-46.5173.8-179.9-173.1162.100111.9A415 R445 L446 V447 I452 K453A415-E449 HydrophobicContact CB-CG 3.97Å; R445-E449 PolarHBondContact O-N 3.25Å; L446-E449 WeakPolarHBondContact O-CB 3.3Å; L446-E449 PolarHBondContact O-N 2.68Å; V447-E449 PolarHBondContact O-N 3.23Å; E449-I452 PolarHBondContact O-N 3.24Å; E449-K453 HydrophobicContact CG-CD 4.16Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.2Å; E449-K453 PolarHBondContact O-N 3.34Å; E449-K453 WeakPolarHBondContact OE1-CE 3.47Å; E449-K453 IonicContact OE1-NZ 3.98Å; E449-K453 PolarHBondContact OE1-NZ 3.09Å
450L98.3Very high95.7Very high17 Ų1749 Ų499%0.08922%0.223CC..Hα-helixtrans-64.6-42.4178.1-70.5171000111.9Q375 L379 L446 V447 V448 I452 K453 N454Q375-L450 VanDerWaalsContact CD-CD1 3.46Å; Q375-L450 HydrophobicContact CG-CD1 3.92Å; L379-L450 HydrophobicContact CD2-CB 3.82Å; L446-L450 HydrophobicContact CD1-CD1 4.29Å; L446-L450 HydrophobicContact CD1-CG 4.12Å; L446-L450 HydrophobicContact CG-CD1 4.08Å; L446-L450 HydrophobicContact CG-CG 4.38Å; L446-L450 WeakPolarHBondContact O-CB 3.38Å; L446-L450 VanDerWaalsContact O-CG 3.28Å; L446-L450 WeakPolarHBondContact O-CG 3.4Å; L446-L450 PolarHBondContact O-N 3.33Å; V447-L450 PolarHBondContact O-N 3.31Å; V448-L450 VanDerWaalsContact C-N 3.34Å; V448-L450 PolarHBondContact O-N 3.33Å; L450-I452 VanDerWaalsContact C-N 3.32Å; L450-I452 PolarHBondContact O-N 3.11Å; L450-K453 PolarHBondContact O-N 3.36Å; L450-N454 WeakPolarHBondContact O-CB 3.18Å; L450-N454 PolarHBondContact O-N 3.05Å; L450-N454 PolarHBondContact O-ND2 3.3Å
451L98.6Very high96.2Very high0 Ų050.1 Ų50.10%023%0.227CC..Hα-helixtrans-61.6-39.5175.9-72.2170.7000111.9I355 F363 L379 L383 L394 M398 V447 V448 E455 L458 F459I355-L451 HydrophobicContact CD1-CD1 4.21Å; F363-L451 HydrophobicContact CE1-CD1 4.38Å; L379-L451 HydrophobicContact CD1-CD2 4.13Å; L379-L451 HydrophobicContact CD1-CG 4.38Å; L379-L451 HydrophobicContact CD2-CD2 4.07Å; L379-L451 HydrophobicContact CD2-CG 4.3Å; L379-L451 HydrophobicContact CG-CD2 4.13Å; L383-L451 HydrophobicContact CD1-CD2 4.19Å; L383-L451 HydrophobicContact CD2-CD2 4.07Å; L383-L451 HydrophobicContact CG-CD2 4.42Å; L394-L451 HydrophobicContact CD2-CD1 4.31Å; M398-L451 HydrophobicContact CG-CB 4.05Å; M398-L451 HydrophobicContact SD-CB 3.51Å; M398-L451 VanDerWaalsContact SD-CB 3.51Å; M398-L451 HydrophobicContact SD-CD1 4.42Å; V447-L451 HydrophobicContact CG1-CD1 3.87Å; V447-L451 HydrophobicContact CG1-CG 4.4Å; V447-L451 VanDerWaalsContact O-CG 3.28Å; V447-L451 WeakPolarHBondContact O-CG 3.16Å; V447-L451 PolarHBondContact O-N 2.84Å; V448-L451 PolarHBondContact O-N 3.07Å; L451-E455 WeakPolarHBondContact O-CA 3.2Å; L451-E455 WeakPolarHBondContact O-CB 3.37Å; L451-E455 PolarHBondContact O-N 3.21Å; L451-L458 HydrophobicContact CD2-CD1 3.95Å; L451-F459 HydrophobicContact CD2-CE2 4.24Å; L451-F459 HydrophobicContact CD2-CZ 4.34Å
452I98.6Very high96.6Very high0 Ų051 Ų510%023%0.23CC..Hα-helixtrans-68.7-49.3175.8-65.8165.7000110.1M398 L401 K402 T405 A415 L418 V448 E449 L450 N454M398-I452 HydrophobicContact SD-CG1 3.8Å; L401-I452 HydrophobicContact CB-CD1 4Å; L401-I452 HydrophobicContact CB-CG1 3.92Å; L401-I452 HydrophobicContact CB-CG2 4.49Å; L401-I452 HydrophobicContact CD1-CD1 3.87Å; L401-I452 HydrophobicContact CD1-CG1 4.19Å; K402-I452 WeakPolarHBondContact CD-O 3.36Å; T405-I452 HydrophobicContact CG2-CG2 3.83Å; A415-I452 HydrophobicContact CB-CB 4.15Å; A415-I452 HydrophobicContact CB-CG2 3.86Å; L418-I452 HydrophobicContact CB-CD1 3.77Å; L418-I452 HydrophobicContact CD1-CD1 4.41Å; V448-I452 HydrophobicContact CG1-CD1 3.84Å; V448-I452 HydrophobicContact CG1-CG1 4.34Å; V448-I452 VanDerWaalsContact O-CG1 3.25Å; V448-I452 WeakPolarHBondContact O-CG1 3.39Å; V448-I452 PolarHBondContact O-N 3.41Å; E449-I452 PolarHBondContact O-N 3.24Å; L450-I452 VanDerWaalsContact C-N 3.32Å; L450-I452 PolarHBondContact O-N 3.11Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 3.07Å
453K98.1Very high96.9Very high98 Ų9844.1 Ų44.143%0.42621%0.206SC..Hα-helixtrans-60-39.3-175.6-80.7178.8173.5172.70112.2K402 A415 E449 L450K402-K453 PolarHBondContact NZ-O 2.57Å; A415-K453 HydrophobicContact CB-CD 4.42Å; A415-K453 HydrophobicContact CB-CG 3.75Å; E449-K453 HydrophobicContact CG-CD 4.16Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.2Å; E449-K453 PolarHBondContact O-N 3.34Å; E449-K453 WeakPolarHBondContact OE1-CE 3.47Å; E449-K453 IonicContact OE1-NZ 3.98Å; E449-K453 PolarHBondContact OE1-NZ 3.09Å; L450-K453 PolarHBondContact O-N 3.36Å
454N97.7Very high97Very high38 Ų3842.7 Ų42.720%0.20320%0.202CC..THydrogen-bonded Turntrans-11426.3-170-54.5-72.9000112.6L376 L450 I452 D456 I457 L458L376-N454 HydrophobicContact CD2-CB 3.91Å; L450-N454 WeakPolarHBondContact O-CB 3.18Å; L450-N454 PolarHBondContact O-N 3.05Å; L450-N454 PolarHBondContact O-ND2 3.3Å; I452-N454 VanDerWaalsContact C-N 3.27Å; I452-N454 PolarHBondContact O-N 3.07Å; N454-D456 PolarHBondContact O-N 3.02Å; N454-I457 HydrophobicContact CB-CD1 3.85Å; N454-I457 HydrophobicContact CB-CG1 3.75Å; N454-I457 WeakPolarHBondContact O-CG1 2.89Å; N454-I457 PolarHBondContact O-N 2.85Å; N454-L458 HydrophobicContact CB-CD1 4Å; N454-L458 HydrophobicContact CB-CG 4.26Å; N454-L458 WeakPolarHBondContact O-CB 3.41Å; N454-L458 WeakPolarHBondContact O-CG 3.38Å; N454-L458 PolarHBondContact O-N 3.08Å; N454-L458 VanDerWaalsContact O-N 3.12Å
455E97.4Very high97.1Very high31 Ų3144.9 Ų44.915%0.14521%0.213CC..Hα-helixtrans-56.9-38.9-176.5-178.2-93.1160.700112.9M398 A399 L451 I457 F459M398-E455 HydrophobicContact CB-CB 4.3Å; M398-E455 HydrophobicContact CB-CG 3.7Å; A399-E455 HydrophobicContact CB-CG 4.5Å; A399-E455 WeakPolarHBondContact CB-OE1 3.44Å; L451-E455 WeakPolarHBondContact O-CA 3.2Å; L451-E455 WeakPolarHBondContact O-CB 3.37Å; L451-E455 PolarHBondContact O-N 3.21Å; E455-I457 VanDerWaalsContact C-N 3.28Å; E455-I457 PolarHBondContact O-N 3.26Å; E455-F459 HydrophobicContact CG-CD2 4.22Å; E455-F459 PolarHBondContact O-N 2.72Å
456D94.4Very high97.1Very high109 Ų10940.8 Ų40.858%0.58320%0.2SC*.Hα-helixtrans-68.4-20.7-177.354.7-23.7000114.7N454N454-D456 PolarHBondContact O-N 3.02Å
457I95.6Very high97.1Very high106 Ų10639.8 Ų39.854%0.54419%0.194SC..Hα-helixtrans-105-26.4178.361.8169.1000113L376 N454 E455L376-I457 HydrophobicContact CD1-CD1 4.01Å; N454-I457 HydrophobicContact CB-CD1 3.85Å; N454-I457 HydrophobicContact CB-CG1 3.75Å; N454-I457 WeakPolarHBondContact O-CG1 2.89Å; N454-I457 PolarHBondContact O-N 2.85Å; E455-I457 VanDerWaalsContact C-N 3.28Å; E455-I457 PolarHBondContact O-N 3.26Å
458L94.6Very high96.9Very high9 Ų943.2 Ų43.25%0.04721%0.211CC..Hα-helixtrans-85.2-28.4-173.7-74.1174.6000113.6L379 H380 L383 L451 N454L379-L458 HydrophobicContact CD2-CD1 3.71Å; L379-L458 HydrophobicContact CG-CD1 4.22Å; H380-L458 HydrophobicContact CB-CD2 3.86Å; H380-L458 PolarHBondContact ND1-O 2.86Å; H380-L458 VanDerWaalsContact ND1-O 3.15Å; L383-L458 HydrophobicContact CD1-CB 3.93Å; L383-L458 HydrophobicContact CD1-CD2 4.49Å; L451-L458 HydrophobicContact CD2-CD1 3.95Å; N454-L458 HydrophobicContact CB-CD1 4Å; N454-L458 HydrophobicContact CB-CG 4.26Å; N454-L458 WeakPolarHBondContact O-CB 3.41Å; N454-L458 WeakPolarHBondContact O-CG 3.38Å; N454-L458 PolarHBondContact O-N 3.08Å; N454-L458 VanDerWaalsContact O-N 3.12Å
459F93.1Very high96.8Very high82 Ų8247.1 Ų47.136%0.3623%0.23SC..  trans-121.50-177.1-62.9-83.9000112L383 L394 R395 M398 L451 E455L383-F459 HydrophobicContact CD1-CD1 4.46Å; L383-F459 HydrophobicContact CD1-CE1 4.03Å; L383-F459 HydrophobicContact CD1-CE2 4.27Å; L383-F459 HydrophobicContact CD1-CZ 3.92Å; L383-F459 HydrophobicContact CD2-CE1 3.65Å; L383-F459 HydrophobicContact CD2-CE2 4.5Å; L383-F459 HydrophobicContact CD2-CZ 3.5Å; L383-F459 HydrophobicContact CG-CE1 4.45Å; L383-F459 HydrophobicContact CG-CZ 4.4Å; L394-F459 HydrophobicContact CD2-CZ 4.03Å; L394-F459 HydrophobicContact CG-CZ 3.96Å; R395-F459 HydrophobicContact CB-CB 4.36Å; R395-F459 HydrophobicContact CB-CD1 3.5Å; R395-F459 VanDerWaalsContact CB-CD1 3.5Å; R395-F459 HydrophobicContact CB-CE1 3.79Å; R395-F459 HydrophobicContact CB-CG 3.94Å; R395-F459 HydrophobicContact CB-CZ 4.48Å; R395-F459 HydrophobicContact CG-CB 3.52Å; R395-F459 HydrophobicContact CG-CD1 3.65Å; R395-F459 HydrophobicContact CG-CD2 4.35Å; R395-F459 HydrophobicContact CG-CE1 4.4Å; R395-F459 HydrophobicContact CG-CG 3.61Å; M398-F459 HydrophobicContact CB-CE2 4.19Å; M398-F459 HydrophobicContact CG-CE2 4.01Å; M398-F459 HydrophobicContact CG-CZ 4.37Å; L451-F459 HydrophobicContact CD2-CE2 4.24Å; L451-F459 HydrophobicContact CD2-CZ 4.34Å; E455-F459 HydrophobicContact CG-CD2 4.22Å; E455-F459 PolarHBondContact O-N 2.72Å

Retrieved 459 of 459 residues in 80 ms (Link to these results)

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