Q99NA6_RAT Loading...

NAD+-specific isocitrate dehydrogenase b-subunit

AlphaFold DB , UniProt , Accession Q99NA6, Species RAT (Rattus norvegicus, Rat), Gene n/a, Length 145 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
1P80.4Confident96Very high180 Ų180134.3 Ų134.3100%1.16968%0.679SS**  0146.6017.2-33.4000108.9
2K95.9Very high96.2Very high214 Ų214128.3 Ų128.393%0.9365%0.65SS**  trans-89.7-19.6-168-64.7-176.5-178.6179.60115.4
3I97.1Very high96.3Very high148 Ų148119 Ų11976%0.75960%0.604SS**SBendtrans-116.8130.7-176.4-54.5-60.9000109
4K97.6Very high96.4Very high170 Ų170112.5 Ų112.574%0.73957%0.574SS**  trans-74.4138.3174.5-169-174.1-172.7-166.30109E6K4-E6 WeakPolarHBondContact CD-OE1 3.28Å; K4-E6 WeakPolarHBondContact CE-OE1 3.41Å; K4-E6 IonicContact NZ-OE1 3.8Å; K4-E6 PolarHBondContact NZ-OE1 2.9Å
5F98.1Very high96.5Very high176 Ų176110.7 Ų110.777%0.77256%0.564SS**  trans-116.2132.3177.4176.9-103.3000109.9T7F5-T7 HydrophobicContact CE1-CG2 3.56Å; F5-T7 HydrophobicContact CE2-CG2 4.42Å; F5-T7 HydrophobicContact CZ-CG2 3.46Å; F5-T7 VanDerWaalsContact CZ-CG2 3.46Å
6E98Very high96.6Very high122 Ų122106.1 Ų106.157%0.5754%0.539SS*.  trans-137.3155.9176.9-64.6-175.6-173.600109.6K4K4-E6 WeakPolarHBondContact CD-OE1 3.28Å; K4-E6 WeakPolarHBondContact CE-OE1 3.41Å; K4-E6 IonicContact NZ-OE1 3.8Å; K4-E6 PolarHBondContact NZ-OE1 2.9Å
7T98Very high96.7Very high120 Ų120100.4 Ų100.474%0.73651%0.511SS*.  trans-127.7145.3175.659.30000110F5F5-T7 HydrophobicContact CE1-CG2 3.56Å; F5-T7 HydrophobicContact CE2-CG2 4.42Å; F5-T7 HydrophobicContact CZ-CG2 3.46Å; F5-T7 VanDerWaalsContact CZ-CG2 3.46Å
8M98.1Very high96.7Very high70 Ų70100.3 Ų100.335%0.34552%0.516SS..  trans-145.3139.4179.7-167.9174.6-68.200109.6N12 C13 Q16 F24M8-N12 HydrophobicContact CG-CB 4.14Å; M8-N12 HydrophobicContact SD-CB 4.49Å; M8-C13 HydrophobicContact CG-CB 4.12Å; M8-C13 WeakPolarHBondContact SD-CA 3.17Å; M8-C13 HydrophobicContact SD-CB 3.89Å; M8-Q16 HydrophobicContact CE-CG 4.2Å; M8-Q16 HydrophobicContact SD-CB 4.26Å; M8-Q16 HydrophobicContact SD-CG 3.93Å; M8-F24 HydrophobicContact CE-CE1 3.99Å; M8-F24 HydrophobicContact CE-CZ 4.18Å; M8-F24 HydrophobicContact SD-CE1 4.02Å; M8-F24 HydrophobicContact SD-CZ 3.94Å
9I97.9Very high96.8Very high126 Ų126101.9 Ų101.965%0.64652%0.521SS*.  trans-72143.1174.6-50.5176.6000108.4D11 N12 C13I9-D11 VanDerWaalsContact C-N 3.29Å; I9-D11 WeakPolarHBondContact CB-OD1 3.45Å; I9-D11 WeakPolarHBondContact CG2-OD1 3.23Å; I9-D11 PolarHBondContact O-N 3.25Å; I9-N12 PolarHBondContact O-N 3.17Å; I9-C13 WeakPolarHBondContact O-CB 3.48Å; I9-C13 PolarHBondContact O-N 3.47Å
10I97.5Very high96.8Very high40 Ų40100.6 Ų100.621%0.20552%0.515CS..Hα-helixtrans-59.8-34.7-169.4-17457.6000113.8C13 C14 Y33 I37I10-C13 PolarHBondContact O-N 2.9Å; I10-C14 PolarHBondContact O-N 3.35Å; I10-C14 PolarHBondContact O-SG 3.27Å; I10-Y33 HydrophobicContact CB-CD1 4.39Å; I10-Y33 HydrophobicContact CB-CD2 4.36Å; I10-Y33 HydrophobicContact CB-CE1 4.48Å; I10-Y33 HydrophobicContact CB-CE2 4.46Å; I10-Y33 HydrophobicContact CB-CG 4.35Å; I10-Y33 HydrophobicContact CD1-CD1 4.48Å; I10-Y33 HydrophobicContact CD1-CG 4.1Å; I10-Y33 HydrophobicContact CG1-CD1 3.9Å; I10-Y33 HydrophobicContact CG1-CD2 4.43Å; I10-Y33 HydrophobicContact CG1-CE1 4.39Å; I10-Y33 HydrophobicContact CG1-CG 3.94Å; I10-Y33 HydrophobicContact CG2-CD1 4.43Å; I10-Y33 HydrophobicContact CG2-CE1 4.08Å; I10-Y33 HydrophobicContact CG2-CE2 4.5Å; I10-I37 HydrophobicContact CD1-CD1 3.71Å; I10-I37 HydrophobicContact CD1-CG1 3.86Å
11D97.6Very high96.9Very high111 Ų11197.8 Ų97.859%0.59450%0.503SS*.Hα-helixtrans-65.1-47.5176.762.3-25.9000111.8I9 C13 C14 M15I9-D11 VanDerWaalsContact C-N 3.29Å; I9-D11 WeakPolarHBondContact CB-OD1 3.45Å; I9-D11 WeakPolarHBondContact CG2-OD1 3.23Å; I9-D11 PolarHBondContact O-N 3.25Å; D11-C13 VanDerWaalsContact C-N 3.34Å; D11-C14 PolarHBondContact O-N 3.03Å; D11-M15 PolarHBondContact O-N 3.48Å; D11-M15 VanDerWaalsContact O-N 3.11Å
12N97.8Very high97.7Very high62 Ų6299 Ų9933%0.33249%0.486SS..Hα-helixtrans-64.6-39.6174-173.631.3000110.8M8 I9 C14 M15 Q16M8-N12 HydrophobicContact CG-CB 4.14Å; M8-N12 HydrophobicContact SD-CB 4.49Å; I9-N12 PolarHBondContact O-N 3.17Å; N12-C14 PolarHBondContact O-N 2.93Å; N12-M15 WeakPolarHBondContact O-CB 3.43Å; N12-M15 PolarHBondContact O-N 3.34Å; N12-M15 VanDerWaalsContact OD1-CE 3.26Å; N12-M15 WeakPolarHBondContact OD1-CE 3.37Å; N12-Q16 WeakPolarHBondContact O-CB 3.47Å; N12-Q16 VanDerWaalsContact O-CG 3.29Å; N12-Q16 WeakPolarHBondContact O-CG 3.48Å; N12-Q16 PolarHBondContact O-N 3.12Å
13C98.2Very high97.8Very high8 Ų892.9 Ų92.95%0.05446%0.461CS..Hα-helixtrans-58.8-48.3176.2-173.70000112M8 I9 I10 D11 M15 Q16 L17M8-C13 HydrophobicContact CG-CB 4.12Å; M8-C13 WeakPolarHBondContact SD-CA 3.17Å; M8-C13 HydrophobicContact SD-CB 3.89Å; I9-C13 WeakPolarHBondContact O-CB 3.48Å; I9-C13 PolarHBondContact O-N 3.47Å; I10-C13 PolarHBondContact O-N 2.9Å; D11-C13 VanDerWaalsContact C-N 3.34Å; C13-M15 VanDerWaalsContact C-N 3.32Å; C13-M15 PolarHBondContact O-N 3.48Å; C13-Q16 PolarHBondContact O-N 2.89Å; C13-L17 WeakPolarHBondContact O-CG 3.26Å; C13-L17 PolarHBondContact O-N 3.24Å
14C97.9Very high97.9Very high28 Ų2888 Ų8819%0.18943%0.434CS..Hα-helixtrans-58-43.2174.5-71.20000112.1I10 D11 N12 V18 L40I10-C14 PolarHBondContact O-N 3.35Å; I10-C14 PolarHBondContact O-SG 3.27Å; D11-C14 PolarHBondContact O-N 3.03Å; N12-C14 PolarHBondContact O-N 2.93Å; C14-V18 PolarHBondContact O-N 2.86Å; C14-L40 HydrophobicContact CB-CD1 4.08Å
15M98Very high97.9Very high86 Ų8687.4 Ų87.442%0.42444%0.439SS..Hα-helixtrans-62.9-45.6176.4-176.7-176.672.600111.7D11 N12 C13 L17 V18 Q19D11-M15 PolarHBondContact O-N 3.48Å; D11-M15 VanDerWaalsContact O-N 3.11Å; N12-M15 WeakPolarHBondContact O-CB 3.43Å; N12-M15 PolarHBondContact O-N 3.34Å; N12-M15 VanDerWaalsContact OD1-CE 3.26Å; N12-M15 WeakPolarHBondContact OD1-CE 3.37Å; C13-M15 VanDerWaalsContact C-N 3.32Å; C13-M15 PolarHBondContact O-N 3.48Å; M15-L17 PolarHBondContact O-N 3.37Å; M15-V18 PolarHBondContact O-N 3.39Å; M15-Q19 HydrophobicContact CG-CG 4.34Å; M15-Q19 WeakPolarHBondContact O-CG 3.13Å; M15-Q19 PolarHBondContact O-N 3.05Å
16Q98.2Very high97.9Very high36 Ų3684.5 Ų84.517%0.16844%0.435CS..Hα-helixtrans-66.5-34.7-179.6-72.4-54.1-33.500112.7M8 N12 C13 V18 Q19 N20 F24M8-Q16 HydrophobicContact CE-CG 4.2Å; M8-Q16 HydrophobicContact SD-CB 4.26Å; M8-Q16 HydrophobicContact SD-CG 3.93Å; N12-Q16 WeakPolarHBondContact O-CB 3.47Å; N12-Q16 VanDerWaalsContact O-CG 3.29Å; N12-Q16 WeakPolarHBondContact O-CG 3.48Å; N12-Q16 PolarHBondContact O-N 3.12Å; C13-Q16 PolarHBondContact O-N 2.89Å; Q16-V18 PolarHBondContact O-N 2.79Å; Q16-Q19 PolarHBondContact O-N 3.21Å; Q16-N20 CarbonylContact O-C 3.59Å; Q16-N20 PolarHBondContact O-N 3.48Å; Q16-F24 HydrophobicContact CB-CE2 3.83Å; Q16-F24 HydrophobicContact CB-CZ 3.62Å
17L97.9Very high97.9Very high9 Ų982.1 Ų82.15%0.04743%0.426CS..Hα-helixtrans-63.1-31.8174.9-79.4164.1000112.3C13 M15 P21 F24 I37 L40 L44C13-L17 WeakPolarHBondContact O-CG 3.26Å; C13-L17 PolarHBondContact O-N 3.24Å; M15-L17 PolarHBondContact O-N 3.37Å; L17-P21 HydrophobicContact CD2-CB 4.37Å; L17-P21 VanDerWaalsContact O-CB 3.31Å; L17-P21 WeakPolarHBondContact O-CB 3.3Å; L17-P21 WeakPolarHBondContact O-CD 3.41Å; L17-P21 WeakPolarHBondContact O-CG 3.32Å; L17-F24 HydrophobicContact CB-CE2 4.49Å; L17-F24 HydrophobicContact CD2-CD2 3.61Å; L17-F24 HydrophobicContact CD2-CE2 3.77Å; L17-F24 HydrophobicContact CG-CD2 4.1Å; L17-F24 HydrophobicContact CG-CE2 3.7Å; L17-F24 HydrophobicContact CG-CZ 4.4Å; L17-I37 HydrophobicContact CD1-CD1 3.63Å; L17-I37 HydrophobicContact CD1-CG1 4.48Å; L17-I37 HydrophobicContact CD1-CG2 3.91Å; L17-L40 HydrophobicContact CB-CD2 3.45Å; L17-L40 VanDerWaalsContact CB-CD2 3.45Å; L17-L40 HydrophobicContact CD1-CD2 3.89Å; L17-L40 HydrophobicContact CG-CD2 4.25Å; L17-L44 HydrophobicContact CB-CD1 4.25Å; L17-L44 WeakPolarHBondContact O-CD1 3.34Å
18V97.2Very high97.9Very high100 Ų10083 Ų8361%0.60643%0.431SS*.Hα-helixtrans-82.4-37.1175.7-1790000111.6C14 M15 Q16 L40C14-V18 PolarHBondContact O-N 2.86Å; M15-V18 PolarHBondContact O-N 3.39Å; Q16-V18 PolarHBondContact O-N 2.79Å; V18-L40 HydrophobicContact CG2-CD2 4.42Å
19Q97.8Very high97.8Very high130 Ų13082.4 Ų82.461%0.60743%0.428SS*.Hα-helixtrans-79-48.7-176.5-72.2-179-2.700113.6M15 Q16M15-Q19 HydrophobicContact CG-CG 4.34Å; M15-Q19 WeakPolarHBondContact O-CG 3.13Å; M15-Q19 PolarHBondContact O-N 3.05Å; Q16-Q19 PolarHBondContact O-N 3.21Å
20N97.8Very high97.8Very high75 Ų7580.6 Ų80.640%0.40142%0.424SS..  trans-152.677.7-178.2-179.522.6000110.4Q16 Y22 Q23Q16-N20 CarbonylContact O-C 3.59Å; Q16-N20 PolarHBondContact O-N 3.48Å; N20-Y22 PolarHBondContact O-N 3.33Å; N20-Q23 WeakPolarHBondContact O-CG 3.5Å; N20-Q23 PolarHBondContact O-N 3.33Å; N20-Q23 PolarHBondContact O-NE2 2.95Å
21P97.8Very high97.7Very high42 Ų4285.7 Ų85.727%0.27345%0.452SS..G310 helixtrans-65-19.9-17823.1-31.1000113.6L17 Q23 F24 L44L17-P21 HydrophobicContact CD2-CB 4.37Å; L17-P21 VanDerWaalsContact O-CB 3.31Å; L17-P21 WeakPolarHBondContact O-CB 3.3Å; L17-P21 WeakPolarHBondContact O-CD 3.41Å; L17-P21 WeakPolarHBondContact O-CG 3.32Å; P21-Q23 PolarHBondContact O-N 2.84Å; P21-Q23 VanDerWaalsContact O-N 3.16Å; P21-F24 WeakPolarHBondContact O-CD2 3.49Å; P21-F24 PolarHBondContact O-N 3.44Å; P21-L44 HydrophobicContact CB-CD1 4.11Å; P21-L44 HydrophobicContact CG-CD1 4.41Å
22Y98.1Very high97.5Very high207 Ų20786.1 Ų86.181%0.81245%0.454SS*.G310 helixtrans-70.4-8.3-176.4-56.1-75.7000114.5N20 F24N20-Y22 PolarHBondContact O-N 3.33Å; Y22-F24 VanDerWaalsContact C-N 3.26Å
23Q97.8Very high97.4Very high84 Ų8488 Ų8839%0.39346%0.457SS..G310 helixtrans-75.6-16.3174.675.4-168.7-79.900113.1N20 P21N20-Q23 WeakPolarHBondContact O-CG 3.5Å; N20-Q23 PolarHBondContact O-N 3.33Å; N20-Q23 PolarHBondContact O-NE2 2.95Å; P21-Q23 PolarHBondContact O-N 2.84Å; P21-Q23 VanDerWaalsContact O-N 3.16Å
24F98Very high97.2Very high47 Ų4788.2 Ų88.221%0.20646%0.461CS..  trans-92147.8-178.1-60.2-70000111.7M8 Q16 L17 P21 Y22 L27M8-F24 HydrophobicContact CE-CE1 3.99Å; M8-F24 HydrophobicContact CE-CZ 4.18Å; M8-F24 HydrophobicContact SD-CE1 4.02Å; M8-F24 HydrophobicContact SD-CZ 3.94Å; Q16-F24 HydrophobicContact CB-CE2 3.83Å; Q16-F24 HydrophobicContact CB-CZ 3.62Å; L17-F24 HydrophobicContact CB-CE2 4.49Å; L17-F24 HydrophobicContact CD2-CD2 3.61Å; L17-F24 HydrophobicContact CD2-CE2 3.77Å; L17-F24 HydrophobicContact CG-CD2 4.1Å; L17-F24 HydrophobicContact CG-CE2 3.7Å; L17-F24 HydrophobicContact CG-CZ 4.4Å; P21-F24 WeakPolarHBondContact O-CD2 3.49Å; P21-F24 PolarHBondContact O-N 3.44Å; Y22-F24 VanDerWaalsContact C-N 3.26Å; F24-L27 HydrophobicContact CB-CD1 4.47Å; F24-L27 HydrophobicContact CD1-CD1 4.47Å; F24-L27 HydrophobicContact CD1-CD2 3.71Å; F24-L27 HydrophobicContact CD1-CG 4.38Å; F24-L27 HydrophobicContact CE1-CD2 4.13Å; F24-L27 HydrophobicContact CG-CD1 4.4Å; F24-L27 HydrophobicContact CG-CD2 4.39Å
25D97.9Very high96.8Very high156 Ų15690.9 Ų90.983%0.83447%0.473SS*.SBendtrans-117.5-77.8173.2-17712.4000109.6
26V98Very high96.6Very high116 Ų11690.3 Ų90.370%0.70347%0.471SS*.  trans-118.9130.5175.8-179.50000110V28V26-V28 HydrophobicContact CG1-CG2 4.4Å
27L97.9Very high96.5Very high71 Ų7189 Ų8937%0.37247%0.465SS..  trans-111.9128.9177.9-68.5167000110.1F24 M29 I37F24-L27 HydrophobicContact CB-CD1 4.47Å; F24-L27 HydrophobicContact CD1-CD1 4.47Å; F24-L27 HydrophobicContact CD1-CD2 3.71Å; F24-L27 HydrophobicContact CD1-CG 4.38Å; F24-L27 HydrophobicContact CE1-CD2 4.13Å; F24-L27 HydrophobicContact CG-CD1 4.4Å; F24-L27 HydrophobicContact CG-CD2 4.39Å; L27-M29 HydrophobicContact CB-CE 3.57Å; L27-M29 HydrophobicContact CD1-CE 4.43Å; L27-M29 HydrophobicContact CG-CE 4.47Å; L27-I37 HydrophobicContact CD1-CG2 4.18Å
28V98Very high96.4Very high138 Ų13892.3 Ų92.384%0.83648%0.483SS*.  trans-123.3130.8175.2-179.30000108.6V26V26-V28 HydrophobicContact CG1-CG2 4.4Å
29M97.5Very high96.1Very high59 Ų5990.3 Ų90.329%0.29147%0.469SS..  trans-157161.6-174.763.9-165.283.700112.7L27 Y33 G34 I37L27-M29 HydrophobicContact CB-CE 3.57Å; L27-M29 HydrophobicContact CD1-CE 4.43Å; L27-M29 HydrophobicContact CG-CE 4.47Å; M29-Y33 VanDerWaalsContact SD-O 3.37Å; M29-G34 VanDerWaalsContact SD-CA 3.51Å; M29-G34 PolarHBondContact SD-N 3.47Å; M29-I37 HydrophobicContact CE-CB 3.99Å; M29-I37 HydrophobicContact CE-CG1 3.85Å; M29-I37 HydrophobicContact CE-CG2 4.01Å; M29-I37 HydrophobicContact SD-CB 3.81Å; M29-I37 HydrophobicContact SD-CG1 3.49Å; M29-I37 WeakPolarHBondContact SD-CG1 3.4Å; M29-I37 HydrophobicContact SD-CG2 4.5Å
30P97.5Very high95.9Very high87 Ų8786.3 Ų86.357%0.56545%0.451SS*.  trans-63.1160.8170.4-21.133.5000112.9L32 Y33 G34P30-L32 PolarHBondContact O-N 3.01Å; P30-Y33 HydrophobicContact CG-CD2 4.36Å; P30-Y33 PolarHBondContact O-N 3.02Å; P30-Y33 VanDerWaalsContact O-N 3.08Å; P30-G34 PolarHBondContact O-N 2.99Å
31N94.2Very high95.8Very high148 Ų14884.3 Ų84.379%0.79145%0.446SS*.Hα-helixtrans-46.9-52.1-172.9-172.9-24.5000114.2Y33 G34 N35N31-Y33 VanDerWaalsContact C-N 3.35Å; N31-Y33 PolarHBondContact O-N 3.37Å; N31-G34 PolarHBondContact O-N 3.37Å; N31-G34 VanDerWaalsContact O-N 3.15Å; N31-N35 PolarHBondContact O-N 3.08Å
32L93.6Very high95.7Very high120 Ų12082.5 Ų82.563%0.62843%0.434SS*.Hα-helixtrans-60.5-42.4-177.5178.561.7000112.7P30 G34 N35 I36P30-L32 PolarHBondContact O-N 3.01Å; L32-G34 VanDerWaalsContact C-N 3.34Å; L32-N35 PolarHBondContact O-N 2.9Å; L32-I36 WeakPolarHBondContact O-CG1 3.19Å; L32-I36 PolarHBondContact O-N 3.13Å
33Y95.6Very high95.4Very high100 Ų10075.1 Ų75.139%0.39242%0.421SS..Hα-helixtrans-70.3-36.9179.1-59.5-18.4000110.6I10 M29 P30 N31 N35 I36 I37I10-Y33 HydrophobicContact CB-CD1 4.39Å; I10-Y33 HydrophobicContact CB-CD2 4.36Å; I10-Y33 HydrophobicContact CB-CE1 4.48Å; I10-Y33 HydrophobicContact CB-CE2 4.46Å; I10-Y33 HydrophobicContact CB-CG 4.35Å; I10-Y33 HydrophobicContact CD1-CD1 4.48Å; I10-Y33 HydrophobicContact CD1-CG 4.1Å; I10-Y33 HydrophobicContact CG1-CD1 3.9Å; I10-Y33 HydrophobicContact CG1-CD2 4.43Å; I10-Y33 HydrophobicContact CG1-CE1 4.39Å; I10-Y33 HydrophobicContact CG1-CG 3.94Å; I10-Y33 HydrophobicContact CG2-CD1 4.43Å; I10-Y33 HydrophobicContact CG2-CE1 4.08Å; I10-Y33 HydrophobicContact CG2-CE2 4.5Å; M29-Y33 VanDerWaalsContact SD-O 3.37Å; P30-Y33 HydrophobicContact CG-CD2 4.36Å; P30-Y33 PolarHBondContact O-N 3.02Å; P30-Y33 VanDerWaalsContact O-N 3.08Å; N31-Y33 VanDerWaalsContact C-N 3.35Å; N31-Y33 PolarHBondContact O-N 3.37Å; Y33-N35 VanDerWaalsContact C-N 3.31Å; Y33-N35 PolarHBondContact O-N 3.14Å; Y33-I36 PolarHBondContact O-N 3.12Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; Y33-I37 WeakPolarHBondContact O-CG1 3.39Å; Y33-I37 PolarHBondContact O-N 3.33Å
34G93.6Very high95.3Very high14 Ų1474.9 Ų74.914%0.14442%0.422CS..Hα-helixtrans-54.9-49173.300000111M29 P30 N31 L32 I36 I37 D38M29-G34 VanDerWaalsContact SD-CA 3.51Å; M29-G34 PolarHBondContact SD-N 3.47Å; P30-G34 PolarHBondContact O-N 2.99Å; N31-G34 PolarHBondContact O-N 3.37Å; N31-G34 VanDerWaalsContact O-N 3.15Å; L32-G34 VanDerWaalsContact C-N 3.34Å; G34-I36 VanDerWaalsContact C-N 3.29Å; G34-I36 PolarHBondContact O-N 3.45Å; G34-I37 PolarHBondContact O-N 2.97Å; G34-D38 VanDerWaalsContact O-CB 3.27Å; G34-D38 WeakPolarHBondContact O-CB 3.38Å; G34-D38 PolarHBondContact O-N 3.18Å
35N91.4Very high95.1Very high84 Ų8477.5 Ų77.545%0.44944%0.441SS..Hα-helixtrans-60.3-36.6178.4-170.6-104.2000113.6N31 L32 Y33 N39N31-N35 PolarHBondContact O-N 3.08Å; L32-N35 PolarHBondContact O-N 2.9Å; Y33-N35 VanDerWaalsContact C-N 3.31Å; Y33-N35 PolarHBondContact O-N 3.14Å; N35-N39 PolarHBondContact O-ND2 3.4Å
36I93.6Very high94.7Very high73 Ų7372.2 Ų72.237%0.37442%0.424SS..Hα-helixtrans-68.5-50.7176.4-64.9168.4000110.2L32 Y33 G34 L40L32-I36 WeakPolarHBondContact O-CG1 3.19Å; L32-I36 PolarHBondContact O-N 3.13Å; Y33-I36 PolarHBondContact O-N 3.12Å; Y33-I36 VanDerWaalsContact O-N 3.12Å; G34-I36 VanDerWaalsContact C-N 3.29Å; G34-I36 PolarHBondContact O-N 3.45Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 3.45Å
37I96Very high94.4Very high8 Ų867.6 Ų67.64%0.04140%0.4CS..Hα-helixtrans-68-39.3-176.2-62.4-47.7000111.5I10 L17 L27 M29 Y33 G34 N39 L40 A41I10-I37 HydrophobicContact CD1-CD1 3.71Å; I10-I37 HydrophobicContact CD1-CG1 3.86Å; L17-I37 HydrophobicContact CD1-CD1 3.63Å; L17-I37 HydrophobicContact CD1-CG1 4.48Å; L17-I37 HydrophobicContact CD1-CG2 3.91Å; L27-I37 HydrophobicContact CD1-CG2 4.18Å; M29-I37 HydrophobicContact CE-CB 3.99Å; M29-I37 HydrophobicContact CE-CG1 3.85Å; M29-I37 HydrophobicContact CE-CG2 4.01Å; M29-I37 HydrophobicContact SD-CB 3.81Å; M29-I37 HydrophobicContact SD-CG1 3.49Å; M29-I37 WeakPolarHBondContact SD-CG1 3.4Å; M29-I37 HydrophobicContact SD-CG2 4.5Å; Y33-I37 WeakPolarHBondContact O-CG1 3.39Å; Y33-I37 PolarHBondContact O-N 3.33Å; G34-I37 PolarHBondContact O-N 2.97Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.01Å; I37-L40 PolarHBondContact O-N 3.36Å; I37-A41 WeakPolarHBondContact O-CB 3.38Å; I37-A41 PolarHBondContact O-N 2.95Å
38D94.4Very high94Very high79 Ų7965.9 Ų65.942%0.42240%0.396SS..Hα-helixtrans-56.2-47.9178.2-73.3-17.6000111.3G34 A42G34-D38 VanDerWaalsContact O-CB 3.27Å; G34-D38 WeakPolarHBondContact O-CB 3.38Å; G34-D38 PolarHBondContact O-N 3.18Å; D38-A42 WeakPolarHBondContact O-CB 3.3Å; D38-A42 PolarHBondContact O-N 3.39Å
39N92Very high93.7Very high58 Ų5860.1 Ų60.131%0.3137%0.365SS..Hα-helixtrans-71.9-40.4179.7-72-71.5000112.2N35 I37 A42 G43N35-N39 PolarHBondContact O-ND2 3.4Å; I37-N39 VanDerWaalsContact C-N 3.34Å; I37-N39 PolarHBondContact O-N 3.01Å; N39-A42 PolarHBondContact O-N 3.31Å; N39-G43 PolarHBondContact O-N 3.25Å
40L94.1Very high93.5Very high46 Ų4658.5 Ų58.524%0.24136%0.358CS..Hα-helixtrans-63.1-50.9178.3-173.5153.5000110.6C14 L17 V18 I36 I37 A42 G43 L44C14-L40 HydrophobicContact CB-CD1 4.08Å; L17-L40 HydrophobicContact CB-CD2 3.45Å; L17-L40 VanDerWaalsContact CB-CD2 3.45Å; L17-L40 HydrophobicContact CD1-CD2 3.89Å; L17-L40 HydrophobicContact CG-CD2 4.25Å; V18-L40 HydrophobicContact CG2-CD2 4.42Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 3.45Å; I37-L40 PolarHBondContact O-N 3.36Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.11Å; L40-G43 WeakPolarHBondContact O-CA 3.45Å; L40-G43 PolarHBondContact O-N 3.02Å; L40-G43 VanDerWaalsContact O-N 3.13Å; L40-L44 HydrophobicContact CD2-CD1 4.08Å; L40-L44 HydrophobicContact CD2-CG 4.43Å; L40-L44 PolarHBondContact O-N 3.03Å
41A95.4Very high93.4Very high34 Ų3455.8 Ų55.828%0.28134%0.34SS..Hα-helixtrans-64.7-38.3179.400000111.8I37 G43 L44 V45I37-A41 WeakPolarHBondContact O-CB 3.38Å; I37-A41 PolarHBondContact O-N 2.95Å; A41-G43 VanDerWaalsContact C-N 3.28Å; A41-G43 PolarHBondContact O-N 3.43Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.98Å; A41-L44 VanDerWaalsContact O-N 3.12Å; A41-V45 PolarHBondContact O-N 3.47Å
42A94.6Very high93.6Very high3 Ų350.7 Ų50.73%0.02532%0.315CS..Hα-helixtrans-60.3-40.317300000111.8D38 N39 L40 L44 V45 G46 G47 V51 A67D38-A42 WeakPolarHBondContact O-CB 3.3Å; D38-A42 PolarHBondContact O-N 3.39Å; N39-A42 PolarHBondContact O-N 3.31Å; L40-A42 VanDerWaalsContact C-N 3.34Å; L40-A42 PolarHBondContact O-N 3.11Å; A42-L44 VanDerWaalsContact C-N 3.28Å; A42-L44 PolarHBondContact O-N 3.47Å; A42-V45 WeakPolarHBondContact O-CG2 3.49Å; A42-V45 PolarHBondContact O-N 3.42Å; A42-G46 PolarHBondContact O-N 3.32Å; A42-G47 VanDerWaalsContact O-CA 3.25Å; A42-G47 WeakPolarHBondContact O-CA 3.48Å; A42-G47 PolarHBondContact O-N 3.12Å; A42-V51 HydrophobicContact CB-CB 4.24Å; A42-V51 HydrophobicContact CB-CG2 3.82Å; A42-A67 HydrophobicContact CB-CB 4.05Å
43G93.2Very high93.7Very high52 Ų5245.6 Ų45.654%0.53629%0.291SS..Hα-helixtrans-57.3-37.5173.600000113.7N39 L40 A41 V45N39-G43 PolarHBondContact O-N 3.25Å; L40-G43 WeakPolarHBondContact O-CA 3.45Å; L40-G43 PolarHBondContact O-N 3.02Å; L40-G43 VanDerWaalsContact O-N 3.13Å; A41-G43 VanDerWaalsContact C-N 3.28Å; A41-G43 PolarHBondContact O-N 3.43Å; G43-V45 VanDerWaalsContact C-N 3.29Å; G43-V45 PolarHBondContact O-N 3.05Å
44L94.6Very high93.8Very high80 Ų8044.1 Ų44.142%0.41929%0.288SS..Hα-helixtrans-67.1-27.6179.8-60.7174.9000113.4L17 P21 L40 A41 A42L17-L44 HydrophobicContact CB-CD1 4.25Å; L17-L44 WeakPolarHBondContact O-CD1 3.34Å; P21-L44 HydrophobicContact CB-CD1 4.11Å; P21-L44 HydrophobicContact CG-CD1 4.41Å; L40-L44 HydrophobicContact CD2-CD1 4.08Å; L40-L44 HydrophobicContact CD2-CG 4.43Å; L40-L44 PolarHBondContact O-N 3.03Å; A41-L44 WeakPolarHBondContact O-CB 3.44Å; A41-L44 PolarHBondContact O-N 2.98Å; A41-L44 VanDerWaalsContact O-N 3.12Å; A42-L44 VanDerWaalsContact C-N 3.28Å; A42-L44 PolarHBondContact O-N 3.47Å
45V94.1Very high93.9Very high101 Ų10145.4 Ų45.461%0.61230%0.295SS*.THydrogen-bonded Turntrans-106.97.8-172.9-58.70000114.2A41 A42 G43 V51A41-V45 PolarHBondContact O-N 3.47Å; A42-V45 WeakPolarHBondContact O-CG2 3.49Å; A42-V45 PolarHBondContact O-N 3.42Å; G43-V45 VanDerWaalsContact C-N 3.29Å; G43-V45 PolarHBondContact O-N 3.05Å; V45-V51 HydrophobicContact CG2-CG2 3.4Å; V45-V51 VanDerWaalsContact CG2-CG2 3.4Å
46G90Very high94.2Very high45 Ų4547.7 Ų47.746%0.46430%0.298SS..THydrogen-bonded Turntrans119.64.8176.100000115.4A42A42-G46 PolarHBondContact O-N 3.32Å
47G91.2Very high94.4Very high20 Ų2047.4 Ų47.421%0.20630%0.303CS..  trans94.1-177.7172.100000114.9A42 G49 V50A42-G47 VanDerWaalsContact O-CA 3.25Å; A42-G47 WeakPolarHBondContact O-CA 3.48Å; A42-G47 PolarHBondContact O-N 3.12Å; G47-G49 PolarHBondContact O-N 3.26Å; G47-G49 VanDerWaalsContact O-N 3.14Å; G47-V50 WeakPolarHBondContact O-CG2 3.24Å; G47-V50 PolarHBondContact O-N 2.93Å
48A89.6Confident94.4Very high34 Ų3452.1 Ų52.128%0.28134%0.343SS..THydrogen-bonded Turntrans-59.4-28.6-172.300000114.5V50 A67A48-V50 PolarHBondContact O-N 3.33Å; A48-A67 HydrophobicContact CB-CB 3.49Å; A48-A67 VanDerWaalsContact CB-CB 3.49Å
49G91.4Very high94.6Very high18 Ų1856.2 Ų56.219%0.18636%0.359CS..THydrogen-bonded Turntrans-68.2-14.5-175.900000115G47 T83 A84G47-G49 PolarHBondContact O-N 3.26Å; G47-G49 VanDerWaalsContact O-N 3.14Å; G49-T83 WeakPolarHBondContact O-CB 3.33Å; G49-A84 WeakPolarHBondContact O-CB 3.31Å; G49-A84 PolarHBondContact O-N 3.46Å
50V94Very high94.9Very high24 Ų2461.3 Ų61.315%0.14538%0.375CS..THydrogen-bonded Turntrans-121.2-8.7-172.5-60.10000114.9G47 A48 P52 N81 T83 M123G47-V50 WeakPolarHBondContact O-CG2 3.24Å; G47-V50 PolarHBondContact O-N 2.93Å; A48-V50 PolarHBondContact O-N 3.33Å; V50-P52 WeakPolarHBondContact O-CD 3.24Å; V50-N81 WeakPolarHBondContact CG1-ND2 3.4Å; V50-T83 HydrophobicContact CB-CG2 4.05Å; V50-T83 HydrophobicContact CG1-CG2 4Å; V50-M123 HydrophobicContact CG1-CG 4.24Å; V50-M123 HydrophobicContact CG1-SD 3.84Å
51V95.7Very high95.1Very high31 Ų3160.5 Ų60.519%0.18838%0.375CS..  trans-99114.6-175.1-177.40000111.2A42 V45 G66 A84A42-V51 HydrophobicContact CB-CB 4.24Å; A42-V51 HydrophobicContact CB-CG2 3.82Å; V45-V51 HydrophobicContact CG2-CG2 3.4Å; V45-V51 VanDerWaalsContact CG2-CG2 3.4Å; V51-G66 PolarHBondContact O-N 2.92Å; V51-A84 WeakPolarHBondContact O-CB 3.42Å
52P96.9Very high95.2Very high40 Ų4063 Ų6326%0.2639%0.387SS..EExtended strand (participates in β ladder)trans-76.2162.7173.433.8-35.4000111.5V50 L87V50-P52 WeakPolarHBondContact O-CD 3.24Å; P52-L87 HydrophobicContact CB-CB 4.09Å; P52-L87 HydrophobicContact CG-CB 4.06Å
53G96.1Very high95.4Very high14 Ų1464.5 Ų64.514%0.14439%0.393CS..EExtended strand (participates in β ladder)trans-147.5156.417700000112.2E64 S88G53-E64 CarbonylContact C-O 3.59Å; G53-E64 PolarHBondContact N-O 3.38Å; G53-E64 CarbonylContact O-C 3.57Å; G53-E64 PolarHBondContact O-N 2.68Å; G53-S88 PolarHBondContact O-OG 3.07Å
54E97.3Very high95.5Very high69 Ų6964 Ų6432%0.32238%0.377SS..EExtended strand (participates in β ladder)trans-145134.7-173.4-56.3170.6-167.100109.3Y56 V62 F63 N91E54-Y56 HydrophobicContact CB-CD2 4.39Å; E54-Y56 HydrophobicContact CB-CE2 3.65Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E54-Y56 PolarHBondContact OE2-OH 3.48Å; E54-V62 CarbonylContact C-O 3.34Å; E54-V62 WeakPolarHBondContact CA-O 3.33Å; E54-F63 HydrophobicContact CB-CD1 4.43Å; E54-F63 HydrophobicContact CB-CE1 4.41Å; E54-F63 HydrophobicContact CG-CD1 3.58Å; E54-F63 HydrophobicContact CG-CE1 3.67Å; E54-N91 WeakPolarHBondContact OE1-CB 3.43Å; E54-N91 PolarHBondContact OE1-ND2 2.69Å
55S96.6Very high95.4Very high40 Ų4062.4 Ų62.428%0.2837%0.37SS..EExtended strand (participates in β ladder)trans-119.4121.2178-68.20000109.2V62 E64 R68S55-V62 PolarHBondContact N-O 3.17Å; S55-V62 PolarHBondContact O-N 2.88Å; S55-E64 PolarHBondContact OG-OE1 3.41Å; S55-R68 PolarHBondContact OG-NH2 3.18Å
56Y97.7Very high95.1Very high133 Ų13358.2 Ų58.252%0.52235%0.348SS..EExtended strand (participates in β ladder)trans-108.3146.8-178.6-67.4-86.7000111.5E54 A61 H95E54-Y56 HydrophobicContact CB-CD2 4.39Å; E54-Y56 HydrophobicContact CB-CE2 3.65Å; E54-Y56 WeakPolarHBondContact OE2-CE2 3.43Å; E54-Y56 PolarHBondContact OE2-OH 3.48Å; Y56-A61 HydrophobicContact CD1-CB 3.72Å; Y56-A61 HydrophobicContact CE1-CB 3.65Å; Y56-H95 AromaticContact CE1-CE1 3.93Å; Y56-H95 AromaticContact CE1-ND1 3.89Å
57S97.2Very high94.7Very high67 Ų6756.3 Ų56.347%0.46933%0.327SS..  trans-125.9-174.3166.1690000109.2E59 Y60S57-E59 PolarHBondContact O-N 3.07Å; S57-Y60 PolarHBondContact N-O 3.23Å; S57-Y60 WeakPolarHBondContact OG-CA 3.41Å; S57-Y60 VanDerWaalsContact OG-CB 3.28Å; S57-Y60 WeakPolarHBondContact OG-CB 3.35Å; S57-Y60 PolarHBondContact OG-N 2.99Å; S57-Y60 PolarHBondContact OG-O 3.38Å
58A97.3Very high93.9Very high107 Ų10762 Ų6288%0.88434%0.342SS*.SBendtrans-59.4-34.2179.700000113.4
59E97.6Very high93Very high164 Ų16465.5 Ų65.577%0.76635%0.353SS*.SBendtrans-128.5-12-172.4-61.4-177.2111.500113.7S57S57-E59 PolarHBondContact O-N 3.07Å
60Y98Very high91.7Very high165 Ų16569.8 Ų69.865%0.64738%0.377SS*.  trans-126.3149.7-173.7-50.2-71.8000112.1S57S57-Y60 PolarHBondContact N-O 3.23Å; S57-Y60 WeakPolarHBondContact OG-CA 3.41Å; S57-Y60 VanDerWaalsContact OG-CB 3.28Å; S57-Y60 WeakPolarHBondContact OG-CB 3.35Å; S57-Y60 PolarHBondContact OG-N 2.99Å; S57-Y60 PolarHBondContact OG-O 3.38Å
61A98.3Very high90.8Very high29 Ų2973.6 Ų73.624%0.2439%0.392CS..EExtended strand (participates in β ladder)trans-127.2133.517100000110Y56 F63Y56-A61 HydrophobicContact CD1-CB 3.72Å; Y56-A61 HydrophobicContact CE1-CB 3.65Å; A61-F63 HydrophobicContact CB-CE2 3.74Å; A61-F63 HydrophobicContact CB-CZ 4.24Å
62V98.3Very high89.8Confident86 Ų8675.7 Ų75.752%0.52141%0.413SS..EExtended strand (participates in β ladder)trans-120.9130.6177.3178.70000108.8E54 S55E54-V62 CarbonylContact C-O 3.34Å; E54-V62 WeakPolarHBondContact CA-O 3.33Å; S55-V62 PolarHBondContact N-O 3.17Å; S55-V62 PolarHBondContact O-N 2.88Å
63F97.9Very high88.8Confident35 Ų3580.4 Ų80.415%0.15443%0.431CS..EExtended strand (participates in β ladder)trans-109.2126.3-176.3-67.5-95.9000109.5E54 A61 S88 N91 M92 H95E54-F63 HydrophobicContact CB-CD1 4.43Å; E54-F63 HydrophobicContact CB-CE1 4.41Å; E54-F63 HydrophobicContact CG-CD1 3.58Å; E54-F63 HydrophobicContact CG-CE1 3.67Å; A61-F63 HydrophobicContact CB-CE2 3.74Å; A61-F63 HydrophobicContact CB-CZ 4.24Å; F63-S88 WeakPolarHBondContact CB-OG 3.38Å; F63-S88 WeakPolarHBondContact CD1-O 3.31Å; F63-N91 HydrophobicContact CD1-CB 4.11Å; F63-N91 HydrophobicContact CE1-CB 3.92Å; F63-M92 HydrophobicContact CB-CB 4.15Å; F63-M92 HydrophobicContact CD1-CB 3.79Å; F63-M92 HydrophobicContact CD2-CB 3.58Å; F63-M92 HydrophobicContact CD2-CG 3.57Å; F63-M92 HydrophobicContact CD2-SD 4.46Å; F63-M92 HydrophobicContact CE1-CB 4.12Å; F63-M92 VanDerWaalsContact CE1-N 3.33Å; F63-M92 HydrophobicContact CE2-CB 3.91Å; F63-M92 HydrophobicContact CE2-CG 3.84Å; F63-M92 HydrophobicContact CG-CB 3.55Å; F63-M92 HydrophobicContact CG-CG 4.05Å; F63-M92 HydrophobicContact CZ-CB 4.19Å; F63-H95 HydrophobicContact CE1-CB 4.48Å; F63-H95 HydrophobicContact CE2-CB 4.18Å; F63-H95 HydrophobicContact CZ-CB 3.57Å; F63-H95 AromaticContact CZ-CG 3.88Å
64E95.5Very high88Confident43 Ų4380.2 Ų80.220%0.20143%0.429CS..EExtended strand (participates in β ladder)trans-145.7-170-172.163.4-170.2133.100111.7G53 S55 R68 S88G53-E64 CarbonylContact C-O 3.59Å; G53-E64 PolarHBondContact N-O 3.38Å; G53-E64 CarbonylContact O-C 3.57Å; G53-E64 PolarHBondContact O-N 2.68Å; S55-E64 PolarHBondContact OG-OE1 3.41Å; E64-R68 IonicContact OE1-CZ 2.59Å; E64-R68 IonicContact OE1-NE 3.79Å; E64-R68 IonicContact OE1-NH1 3.25Å; E64-R68 PolarHBondContact OE1-NH1 3.13Å; E64-R68 IonicContact OE1-NH2 3.83Å; E64-R68 PolarHBondContact OE1-NH2 2.8Å; E64-R68 IonicContact OE2-CZ 3.82Å; E64-R68 IonicContact OE2-NE 3.35Å; E64-R68 PolarHBondContact OE2-NE 3.31Å; E64-R68 IonicContact OE2-NH1 3.19Å; E64-R68 PolarHBondContact OE2-NH1 2.68Å; E64-R68 IonicContact OE2-NH2 2.95Å; E64-S88 PolarHBondContact N-OG 3.26Å; E64-S88 VanDerWaalsContact N-OG 3.08Å; E64-S88 VanDerWaalsContact O-CB 3.22Å; E64-S88 WeakPolarHBondContact O-CB 3.49Å; E64-S88 PolarHBondContact O-OG 3.08Å
65T93.8Very high87.4Confident45 Ų4582.4 Ų82.428%0.27645%0.446SS..EExtended strand (participates in β ladder)trans-88.9142.5171.257.50000110.2A67 A84 M85T65-A67 PolarHBondContact OG1-O 3.16Å; T65-A84 HydrophobicContact CG2-CB 3.83Å; T65-M85 HydrophobicContact CG2-CE 3.95Å
66G85.9Confident86.9Confident14 Ų1484.6 Ų84.614%0.14448%0.475CS..SBendtrans-66.7-46.7-176.200000112.7V51 R68V51-G66 PolarHBondContact O-N 2.92Å; G66-R68 PolarHBondContact O-N 3.02Å
67A82.4Confident86.5Confident4 Ų486.4 Ų86.43%0.03348%0.481CS..SBendtrans-86.5111.6171.300000109.8A42 A48 T65 H69A42-A67 HydrophobicContact CB-CB 4.05Å; A48-A67 HydrophobicContact CB-CB 3.49Å; A48-A67 VanDerWaalsContact CB-CB 3.49Å; T65-A67 PolarHBondContact OG1-O 3.16Å; A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 3.47Å
68R74.8Confident86.4Confident139 Ų13986.4 Ų86.453%0.52548%0.476SS..  trans-87.523.6-173.1-56.3-173.5-165.8-162.13.9114.4S55 E64 G66 P70S55-R68 PolarHBondContact OG-NH2 3.18Å; E64-R68 IonicContact OE1-CZ 2.59Å; E64-R68 IonicContact OE1-NE 3.79Å; E64-R68 IonicContact OE1-NH1 3.25Å; E64-R68 PolarHBondContact OE1-NH1 3.13Å; E64-R68 IonicContact OE1-NH2 3.83Å; E64-R68 PolarHBondContact OE1-NH2 2.8Å; E64-R68 IonicContact OE2-CZ 3.82Å; E64-R68 IonicContact OE2-NE 3.35Å; E64-R68 PolarHBondContact OE2-NE 3.31Å; E64-R68 IonicContact OE2-NH1 3.19Å; E64-R68 PolarHBondContact OE2-NH1 2.68Å; E64-R68 IonicContact OE2-NH2 2.95Å; G66-R68 PolarHBondContact O-N 3.02Å; R68-P70 WeakPolarHBondContact O-CD 3.49Å
69H69.6Low86.2Confident109 Ų10984 Ų8451%0.50545%0.447SS..  trans-78.9126.4177.6128.565.8000110.3A67 F71A67-H69 VanDerWaalsContact C-N 3.26Å; A67-H69 PolarHBondContact O-N 3.47Å; H69-F71 PolarHBondContact O-N 3.46Å
70P65Low86Confident108 Ų10878 Ų7870%0.70143%0.426SS*.  trans-68.5121.7176.4-18.330.5000111.4R68 A72R68-P70 WeakPolarHBondContact O-CD 3.49Å; P70-A72 VanDerWaalsContact C-N 3.28Å; P70-A72 PolarHBondContact O-N 3.38Å; P70-A72 VanDerWaalsContact O-N 3.15Å
71F74.7Confident85.8Confident103 Ų10371.1 Ų71.145%0.45240%0.401SS..  trans-88.965.7170.2-169.7-138.4000111.1H69 Q73 A74H69-F71 PolarHBondContact O-N 3.46Å; F71-Q73 HydrophobicContact CD2-CB 4.44Å; F71-Q73 HydrophobicContact CE2-CB 3.98Å; F71-Q73 HydrophobicContact CZ-CB 4.34Å; F71-Q73 PolarHBondContact O-N 3.23Å; F71-A74 HydrophobicContact CD1-CB 3.24Å; F71-A74 HydrophobicContact CE1-CB 3.46Å; F71-A74 VanDerWaalsContact CE1-CB 3.46Å; F71-A74 HydrophobicContact CG-CB 4.12Å; F71-A74 HydrophobicContact CZ-CB 4.45Å; F71-A74 PolarHBondContact O-N 3.39Å
72A74.8Confident85.7Confident75 Ų7570.7 Ų70.762%0.6240%0.395SS*.G310 helixtrans-54.4-29.6-174.500000113.7P70 A74 V75P70-A72 VanDerWaalsContact C-N 3.28Å; P70-A72 PolarHBondContact O-N 3.38Å; P70-A72 VanDerWaalsContact O-N 3.15Å; A72-A74 PolarHBondContact O-N 2.74Å; A72-V75 WeakPolarHBondContact O-CG2 3.45Å; A72-V75 PolarHBondContact O-N 2.66Å
73Q76.9Confident85.6Confident139 Ų13966.7 Ų66.765%0.6537%0.371SS*.G310 helixtrans-66.8-19.1178.9-62.2-179.45.700113.9F71 R77F71-Q73 HydrophobicContact CD2-CB 4.44Å; F71-Q73 HydrophobicContact CE2-CB 3.98Å; F71-Q73 HydrophobicContact CZ-CB 4.34Å; F71-Q73 PolarHBondContact O-N 3.23Å; Q73-R77 VanDerWaalsContact O-CD 3.27Å; Q73-R77 WeakPolarHBondContact O-CD 3.41Å; Q73-R77 PolarHBondContact O-NE 3.48Å
74A78.1Confident85.5Confident11 Ų1165.1 Ų65.19%0.09136%0.364CS..G310 helixtrans-87.9-11.5178.100000114.9F71 A72 G76 R77 I79 A80F71-A74 HydrophobicContact CD1-CB 3.24Å; F71-A74 HydrophobicContact CE1-CB 3.46Å; F71-A74 VanDerWaalsContact CE1-CB 3.46Å; F71-A74 HydrophobicContact CG-CB 4.12Å; F71-A74 HydrophobicContact CZ-CB 4.45Å; F71-A74 PolarHBondContact O-N 3.39Å; A72-A74 PolarHBondContact O-N 2.74Å; A74-G76 PolarHBondContact O-N 3.46Å; A74-R77 PolarHBondContact O-N 3.37Å; A74-I79 HydrophobicContact CB-CD1 4.33Å; A74-I79 HydrophobicContact CB-CG1 3.78Å; A74-A80 HydrophobicContact CB-CB 4.09Å
75V84.4Confident85.5Confident115 Ų11567.9 Ų67.970%0.69738%0.378SS*.THydrogen-bonded Turntrans-58.5122.2-174.8177.70000110.1A72 R77A72-V75 WeakPolarHBondContact O-CG2 3.45Å; A72-V75 PolarHBondContact O-N 2.66Å; V75-R77 PolarHBondContact O-N 2.99Å
76G86.3Confident85.7Confident86 Ų8667.6 Ų67.689%0.88738%0.375SS*.THydrogen-bonded Turntrans718.3178.600000115.7A74A74-G76 PolarHBondContact O-N 3.46Å
77R90.5Very high86.3Confident171 Ų17168.4 Ų68.465%0.64538%0.376SS*.THydrogen-bonded Turntrans-107.3-2.6-173-62.3-167.7-172.3-178.9-4.7115.6Q73 A74 V75 I79Q73-R77 VanDerWaalsContact O-CD 3.27Å; Q73-R77 WeakPolarHBondContact O-CD 3.41Å; Q73-R77 PolarHBondContact O-NE 3.48Å; A74-R77 PolarHBondContact O-N 3.37Å; V75-R77 PolarHBondContact O-N 2.99Å; R77-I79 HydrophobicContact CB-CD1 4.12Å; R77-I79 HydrophobicContact CB-CG1 3.99Å; R77-I79 HydrophobicContact CB-CG2 4.41Å; R77-I79 WeakPolarHBondContact O-CG2 3.33Å; R77-I79 PolarHBondContact O-N 2.98Å
78N94Very high87.1Confident67 Ų6768.2 Ų68.236%0.35837%0.374SS..THydrogen-bonded Turntrans57.233.3-179.5-169.128.9000113.2T128 T129 T130N78-T128 WeakPolarHBondContact ND2-CB 3.22Å; N78-T128 WeakPolarHBondContact O-CA 3.42Å; N78-T128 VanDerWaalsContact O-CB 3.24Å; N78-T128 WeakPolarHBondContact O-CB 3.45Å; N78-T129 PolarHBondContact O-N 3.11Å; N78-T129 PolarHBondContact O-OG1 2.95Å; N78-T129 VanDerWaalsContact OD1-CB 3.26Å; N78-T129 WeakPolarHBondContact OD1-CB 3.48Å; N78-T129 PolarHBondContact OD1-N 3.42Å; N78-T130 PolarHBondContact ND2-OG1 3.15Å; N78-T130 PolarHBondContact OD1-N 3.04Å; N78-T130 PolarHBondContact OD1-OG1 3.32Å
79I93.5Very high88.2Confident55 Ų5563.2 Ų63.228%0.28236%0.363SS..  trans-118.1-2-179.664.4177.1000114A74 R77 T129A74-I79 HydrophobicContact CB-CD1 4.33Å; A74-I79 HydrophobicContact CB-CG1 3.78Å; R77-I79 HydrophobicContact CB-CD1 4.12Å; R77-I79 HydrophobicContact CB-CG1 3.99Å; R77-I79 HydrophobicContact CB-CG2 4.41Å; R77-I79 WeakPolarHBondContact O-CG2 3.33Å; R77-I79 PolarHBondContact O-N 2.98Å; I79-T129 PolarHBondContact N-OG1 3.27Å
80A92.6Very high89.6Confident38 Ų3858.1 Ų58.131%0.31434%0.339SS..  trans-69145.6179.200000111.1A74 P82 T129A74-A80 HydrophobicContact CB-CB 4.09Å; A80-P82 WeakPolarHBondContact O-CD 3.34Å; A80-T129 PolarHBondContact N-OG1 3.06Å; A80-T129 WeakPolarHBondContact O-CB 3.44Å; A80-T129 WeakPolarHBondContact O-CG2 3.49Å; A80-T129 PolarHBondContact O-OG1 3.3Å
81N94Very high91.2Very high22 Ų2254.7 Ų54.712%0.11832%0.315CS..  trans-82.7118.4169.8-169.8-14.7000109.9V50 T83 T120 D122 M123V50-N81 WeakPolarHBondContact CG1-ND2 3.4Å; N81-T83 VanDerWaalsContact C-N 3.28Å; N81-T83 PolarHBondContact O-N 3.33Å; N81-T83 WeakPolarHBondContact OD1-CB 3.45Å; N81-T83 PolarHBondContact OD1-N 3.33Å; N81-T83 PolarHBondContact OD1-OG1 2.91Å; N81-T120 WeakPolarHBondContact CB-OG1 3.27Å; N81-T120 VanDerWaalsContact CG-OG1 3.26Å; N81-T120 PolarHBondContact ND2-OG1 2.56Å; N81-D122 WeakPolarHBondContact CB-OD1 3.47Å; N81-D122 WeakPolarHBondContact CB-OD2 2.96Å; N81-D122 PolarHBondContact ND2-OD1 2.63Å; N81-D122 PolarHBondContact ND2-OD2 2.95Å; N81-M123 WeakPolarHBondContact ND2-CE 3.47Å
82P95.6Very high92.3Very high20 Ų2053.3 Ų53.313%0.1331%0.311CS..  trans-82.4-5.4-179.435-35.6000113.1A80 A84 M85 L86 T129 F132 I133A80-P82 WeakPolarHBondContact O-CD 3.34Å; P82-A84 PolarHBondContact O-N 2.79Å; P82-M85 PolarHBondContact O-N 3.2Å; P82-L86 HydrophobicContact CB-CD1 4.11Å; P82-L86 HydrophobicContact CB-CG 4.35Å; P82-L86 HydrophobicContact CG-CD1 4.21Å; P82-L86 WeakPolarHBondContact O-CG 3.42Å; P82-L86 PolarHBondContact O-N 3.25Å; P82-T129 HydrophobicContact CB-CG2 4.28Å; P82-T129 HydrophobicContact CG-CG2 4.21Å; P82-F132 HydrophobicContact CG-CB 4.33Å; P82-F132 HydrophobicContact CG-CD1 3.5Å; P82-F132 HydrophobicContact CG-CE1 4.16Å; P82-F132 HydrophobicContact CG-CG 4.19Å; P82-I133 HydrophobicContact CB-CD1 3.76Å; P82-I133 HydrophobicContact CB-CG1 4.37Å; P82-I133 HydrophobicContact CG-CD1 3.74Å; P82-I133 HydrophobicContact CG-CG1 4.08Å
83T96.8Very high93.4Very high1 Ų151.2 Ų51.21%0.00629%0.289CS..Hα-helixtrans-54.7-52.6-170.3-62.30000112.8G49 V50 N81 M85 L86 L87 V109 I113 F132G49-T83 WeakPolarHBondContact O-CB 3.33Å; V50-T83 HydrophobicContact CB-CG2 4.05Å; V50-T83 HydrophobicContact CG1-CG2 4Å; N81-T83 VanDerWaalsContact C-N 3.28Å; N81-T83 PolarHBondContact O-N 3.33Å; N81-T83 WeakPolarHBondContact OD1-CB 3.45Å; N81-T83 PolarHBondContact OD1-N 3.33Å; N81-T83 PolarHBondContact OD1-OG1 2.91Å; T83-M85 VanDerWaalsContact C-N 3.3Å; T83-M85 PolarHBondContact O-N 2.95Å; T83-L86 PolarHBondContact O-N 3.38Å; T83-L87 HydrophobicContact CG2-CD1 3.85Å; T83-L87 HydrophobicContact CG2-CG 4.34Å; T83-L87 WeakPolarHBondContact O-CG 3.16Å; T83-L87 PolarHBondContact O-N 2.95Å; T83-V109 HydrophobicContact CG2-CG1 3.87Å; T83-I113 HydrophobicContact CG2-CD1 3.61Å; T83-F132 WeakPolarHBondContact OG1-CE1 3.27Å; T83-F132 VanDerWaalsContact OG1-CZ 3.3Å; T83-F132 WeakPolarHBondContact OG1-CZ 3.38Å
84A95.9Very high94.5Very high2 Ų249.2 Ų49.22%0.01728%0.276CS..Hα-helixtrans-54.9-45.8-178.900000112.1G49 V51 T65 P82 S88G49-A84 WeakPolarHBondContact O-CB 3.31Å; G49-A84 PolarHBondContact O-N 3.46Å; V51-A84 WeakPolarHBondContact O-CB 3.42Å; T65-A84 HydrophobicContact CG2-CB 3.83Å; P82-A84 PolarHBondContact O-N 2.79Å; A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 3.37Å
85M96.6Very high95.4Very high101 Ų10153.2 Ų53.250%0.49829%0.292SS..Hα-helixtrans-72.2-37.4-178.4-169.258.671.900112.4T65 P82 T83 S88 A89T65-M85 HydrophobicContact CG2-CE 3.95Å; P82-M85 PolarHBondContact O-N 3.2Å; T83-M85 VanDerWaalsContact C-N 3.3Å; T83-M85 PolarHBondContact O-N 2.95Å; M85-S88 PolarHBondContact O-N 2.86Å; M85-A89 WeakPolarHBondContact O-CB 3.46Å; M85-A89 PolarHBondContact O-N 2.66Å
86L98.1Very high96.1Very high40 Ų4052.4 Ų52.421%0.20928%0.284CS..Hα-helixtrans-64.3-40.9175.6-68.9171.3000112P82 T83 A89 S90 V109 I133 V136P82-L86 HydrophobicContact CB-CD1 4.11Å; P82-L86 HydrophobicContact CB-CG 4.35Å; P82-L86 HydrophobicContact CG-CD1 4.21Å; P82-L86 WeakPolarHBondContact O-CG 3.42Å; P82-L86 PolarHBondContact O-N 3.25Å; T83-L86 PolarHBondContact O-N 3.38Å; L86-A89 PolarHBondContact O-N 3.07Å; L86-S90 PolarHBondContact O-N 3.36Å; L86-V109 HydrophobicContact CB-CG2 3.94Å; L86-V109 HydrophobicContact CD1-CG2 3.87Å; L86-I133 HydrophobicContact CD1-CD1 3.86Å; L86-I133 HydrophobicContact CD2-CD1 4.31Å; L86-I133 HydrophobicContact CG-CD1 4.46Å; L86-V136 HydrophobicContact CD1-CG2 4.39Å
87L98.2Very high96.7Very high30 Ų3055.3 Ų55.316%0.15728%0.279CS..Hα-helixtrans-68.5-39.2175.7-67.5177.5000111.4P52 T83 S90 N91 A106 V109P52-L87 HydrophobicContact CB-CB 4.09Å; P52-L87 HydrophobicContact CG-CB 4.06Å; T83-L87 HydrophobicContact CG2-CD1 3.85Å; T83-L87 HydrophobicContact CG2-CG 4.34Å; T83-L87 WeakPolarHBondContact O-CG 3.16Å; T83-L87 PolarHBondContact O-N 2.95Å; L87-S90 WeakPolarHBondContact O-CB 3.47Å; L87-S90 PolarHBondContact O-N 2.98Å; L87-N91 PolarHBondContact O-N 2.96Å; L87-A106 HydrophobicContact CD2-CB 4.49Å; L87-V109 HydrophobicContact CD2-CB 4.22Å; L87-V109 HydrophobicContact CD2-CG1 3.98Å; L87-V109 HydrophobicContact CG-CG1 4.17Å
88S98Very high97Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-62.6-42.7174.4-164.40000111.7G53 F63 E64 A84 M85 S90 N91 M92G53-S88 PolarHBondContact O-OG 3.07Å; F63-S88 WeakPolarHBondContact CB-OG 3.38Å; F63-S88 WeakPolarHBondContact CD1-O 3.31Å; E64-S88 PolarHBondContact N-OG 3.26Å; E64-S88 VanDerWaalsContact N-OG 3.08Å; E64-S88 VanDerWaalsContact O-CB 3.22Å; E64-S88 WeakPolarHBondContact O-CB 3.49Å; E64-S88 PolarHBondContact O-OG 3.08Å; A84-S88 WeakPolarHBondContact O-CB 3.34Å; A84-S88 PolarHBondContact O-N 3.37Å; M85-S88 PolarHBondContact O-N 2.86Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.14Å; S88-N91 PolarHBondContact O-N 3.3Å; S88-M92 PolarHBondContact O-N 3.19Å
89A98.4Very high97.2Very high35 Ų3552 Ų5229%0.28927%0.271SS..Hα-helixtrans-63.7-36.9172.700000112.6M85 L86 N91 M92 L93M85-A89 WeakPolarHBondContact O-CB 3.46Å; M85-A89 PolarHBondContact O-N 2.66Å; L86-A89 PolarHBondContact O-N 3.07Å; A89-N91 VanDerWaalsContact C-N 3.35Å; A89-M92 WeakPolarHBondContact O-CB 3.35Å; A89-M92 PolarHBondContact O-N 2.94Å; A89-L93 WeakPolarHBondContact O-CG 3.41Å; A89-L93 PolarHBondContact O-N 3.44Å
90S98.4Very high97.4Very high1 Ų157.2 Ų57.21%0.00729%0.288CS..Hα-helixtrans-61.8-42.2172.2167.90000111.6L86 L87 S88 L93 R94 S102 A106L86-S90 PolarHBondContact O-N 3.36Å; L87-S90 WeakPolarHBondContact O-CB 3.47Å; L87-S90 PolarHBondContact O-N 2.98Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.14Å; S90-L93 PolarHBondContact O-N 3.18Å; S90-R94 PolarHBondContact O-N 3.47Å; S90-R94 VanDerWaalsContact O-N 3.07Å; S90-S102 VanDerWaalsContact O-CB 3.23Å; S90-S102 WeakPolarHBondContact O-CB 3.39Å; S90-S102 PolarHBondContact O-OG 2.78Å; S90-S102 PolarHBondContact OG-O 3.14Å; S90-S102 PolarHBondContact OG-OG 3.35Å; S90-S102 VanDerWaalsContact OG-OG 3.08Å; S90-A106 WeakPolarHBondContact OG-CB 3.38Å
91N98.6Very high97.6Very high37 Ų3759.8 Ų59.820%0.19829%0.293CS..Hα-helixtrans-66.7-37.1175.4-67.4-14.8000112.2E54 F63 L87 S88 A89 L93 R94 H95E54-N91 WeakPolarHBondContact OE1-CB 3.43Å; E54-N91 PolarHBondContact OE1-ND2 2.69Å; F63-N91 HydrophobicContact CD1-CB 4.11Å; F63-N91 HydrophobicContact CE1-CB 3.92Å; L87-N91 PolarHBondContact O-N 2.96Å; S88-N91 PolarHBondContact O-N 3.3Å; A89-N91 VanDerWaalsContact C-N 3.35Å; N91-L93 VanDerWaalsContact C-N 3.35Å; N91-L93 PolarHBondContact O-N 2.59Å; N91-R94 WeakPolarHBondContact O-CB 3.4Å; N91-R94 PolarHBondContact O-N 2.85Å; N91-R94 VanDerWaalsContact O-N 3.14Å; N91-R94 PolarHBondContact OD1-NH1 2.97Å; N91-H95 PolarHBondContact O-N 2.98Å
92M98.7Very high97.8Very high74 Ų7458.7 Ų58.737%0.36529%0.288SS..Hα-helixtrans-58.4-46.3171.8-175.1-170.471.300111.6F63 S88 A89 R94 H95 L96F63-M92 HydrophobicContact CB-CB 4.15Å; F63-M92 HydrophobicContact CD1-CB 3.79Å; F63-M92 HydrophobicContact CD2-CB 3.58Å; F63-M92 HydrophobicContact CD2-CG 3.57Å; F63-M92 HydrophobicContact CD2-SD 4.46Å; F63-M92 HydrophobicContact CE1-CB 4.12Å; F63-M92 VanDerWaalsContact CE1-N 3.33Å; F63-M92 HydrophobicContact CE2-CB 3.91Å; F63-M92 HydrophobicContact CE2-CG 3.84Å; F63-M92 HydrophobicContact CG-CB 3.55Å; F63-M92 HydrophobicContact CG-CG 4.05Å; F63-M92 HydrophobicContact CZ-CB 4.19Å; S88-M92 PolarHBondContact O-N 3.19Å; A89-M92 WeakPolarHBondContact O-CB 3.35Å; A89-M92 PolarHBondContact O-N 2.94Å; M92-R94 VanDerWaalsContact C-N 3.26Å; M92-R94 PolarHBondContact O-N 3.34Å; M92-H95 WeakPolarHBondContact O-CB 3.22Å; M92-H95 PolarHBondContact O-N 3.31Å; M92-H95 VanDerWaalsContact O-N 3.12Å; M92-L96 HydrophobicContact CG-CD1 4.38Å; M92-L96 WeakPolarHBondContact O-CG 3.41Å; M92-L96 PolarHBondContact O-N 3.23Å
93L98.7Very high97.9Very high30 Ų3059.7 Ų59.716%0.15730%0.295CS..Hα-helixtrans-60.3-38.1176.1-69.7170.2000111.6A89 S90 N91 L96 N97 L98 H101 I105A89-L93 WeakPolarHBondContact O-CG 3.41Å; A89-L93 PolarHBondContact O-N 3.44Å; S90-L93 PolarHBondContact O-N 3.18Å; N91-L93 VanDerWaalsContact C-N 3.35Å; N91-L93 PolarHBondContact O-N 2.59Å; L93-L96 CarbonylContact O-C 3.49Å; L93-L96 PolarHBondContact O-N 3.39Å; L93-N97 PolarHBondContact O-N 2.9Å; L93-L98 HydrophobicContact CB-CB 4.29Å; L93-L98 HydrophobicContact CD2-CB 4.4Å; L93-L98 HydrophobicContact CD2-CD1 3.81Å; L93-L98 WeakPolarHBondContact O-CA 3.38Å; L93-L98 WeakPolarHBondContact O-CB 3.35Å; L93-L98 PolarHBondContact O-N 3.48Å; L93-H101 HydrophobicContact CD1-CB 3.98Å; L93-I105 HydrophobicContact CD1-CD1 3.61Å
94R98.4Very high98Very high97 Ų9761.8 Ų61.837%0.36631%0.305SS..Hα-helixtrans-61.9-45.3173.3-171.4171.8-58.1116.411.6111.5S90 N91 M92 L96 N97 E99 S102S90-R94 PolarHBondContact O-N 3.47Å; S90-R94 VanDerWaalsContact O-N 3.07Å; N91-R94 WeakPolarHBondContact O-CB 3.4Å; N91-R94 PolarHBondContact O-N 2.85Å; N91-R94 VanDerWaalsContact O-N 3.14Å; N91-R94 PolarHBondContact OD1-NH1 2.97Å; M92-R94 VanDerWaalsContact C-N 3.26Å; M92-R94 PolarHBondContact O-N 3.34Å; R94-L96 PolarHBondContact O-N 2.95Å; R94-N97 WeakPolarHBondContact O-CA 3.15Å; R94-N97 PolarHBondContact O-N 3.25Å; R94-E99 WeakPolarHBondContact CG-OE2 3.41Å; R94-E99 IonicContact CZ-OE1 3.2Å; R94-E99 IonicContact NE-OE1 2.82Å; R94-E99 PolarHBondContact NE-OE1 3.47Å; R94-E99 IonicContact NE-OE2 3.78Å; R94-E99 IonicContact NH2-OE1 3.05Å; R94-S102 PolarHBondContact NH2-OG 3.24Å; R94-S102 VanDerWaalsContact NH2-OG 3.07Å
95H98.3Very high98.1Very high95 Ų9563.7 Ų63.744%0.4432%0.315SS..Hα-helixtrans-59.7-31.9176-175.183.7000112.6Y56 F63 N91 M92 N97Y56-H95 AromaticContact CE1-CE1 3.93Å; Y56-H95 AromaticContact CE1-ND1 3.89Å; F63-H95 HydrophobicContact CE1-CB 4.48Å; F63-H95 HydrophobicContact CE2-CB 4.18Å; F63-H95 HydrophobicContact CZ-CB 3.57Å; F63-H95 AromaticContact CZ-CG 3.88Å; N91-H95 PolarHBondContact O-N 2.98Å; M92-H95 WeakPolarHBondContact O-CB 3.22Å; M92-H95 PolarHBondContact O-N 3.31Å; M92-H95 VanDerWaalsContact O-N 3.12Å; H95-N97 PolarHBondContact O-N 2.82Å
96L98.6Very high98.1Very high98 Ų9859.1 Ų59.151%0.51329%0.293SS..THydrogen-bonded Turntrans-81.99173.9-63.2173.9000114.1M92 L93 R94 L98M92-L96 HydrophobicContact CG-CD1 4.38Å; M92-L96 WeakPolarHBondContact O-CG 3.41Å; M92-L96 PolarHBondContact O-N 3.23Å; L93-L96 CarbonylContact O-C 3.49Å; L93-L96 PolarHBondContact O-N 3.39Å; R94-L96 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 HydrophobicContact CB-CD1 4.37Å; L96-L98 HydrophobicContact CB-CG 4.31Å; L96-L98 PolarHBondContact O-N 3.36Å
97N98.4Very high98.1Very high148 Ų14861.6 Ų61.679%0.79131%0.306SS*.THydrogen-bonded Turntrans62.324.2-175.4-57.4-68.3000114.8L93 R94 H95 E99L93-N97 PolarHBondContact O-N 2.9Å; R94-N97 WeakPolarHBondContact O-CA 3.15Å; R94-N97 PolarHBondContact O-N 3.25Å; H95-N97 PolarHBondContact O-N 2.82Å; N97-E99 PolarHBondContact O-N 2.91Å
98L98.4Very high98.1Very high76 Ų7660.3 Ų60.340%0.39830%0.3SS..  trans-97.357.3176.4-59.7177.1000111L93 L96 Y100 H101 S102L93-L98 HydrophobicContact CB-CB 4.29Å; L93-L98 HydrophobicContact CD2-CB 4.4Å; L93-L98 HydrophobicContact CD2-CD1 3.81Å; L93-L98 WeakPolarHBondContact O-CA 3.38Å; L93-L98 WeakPolarHBondContact O-CB 3.35Å; L93-L98 PolarHBondContact O-N 3.48Å; L96-L98 VanDerWaalsContact C-N 3.25Å; L96-L98 HydrophobicContact CB-CD1 4.37Å; L96-L98 HydrophobicContact CB-CG 4.31Å; L96-L98 PolarHBondContact O-N 3.36Å; L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 3.12Å; L98-H101 PolarHBondContact O-N 2.79Å; L98-H101 VanDerWaalsContact O-N 3.17Å; L98-S102 PolarHBondContact O-N 3.32Å
99E97.6Very high98.1Very high93 Ų9360.3 Ų60.344%0.43530%0.3SS..Hα-helixtrans-57.6-39.1-170.3-165.965.5-12500113.4R94 N97 S102 S103R94-E99 WeakPolarHBondContact CG-OE2 3.41Å; R94-E99 IonicContact CZ-OE1 3.2Å; R94-E99 IonicContact NE-OE1 2.82Å; R94-E99 PolarHBondContact NE-OE1 3.47Å; R94-E99 IonicContact NE-OE2 3.78Å; R94-E99 IonicContact NH2-OE1 3.05Å; N97-E99 PolarHBondContact O-N 2.91Å; E99-S102 WeakPolarHBondContact O-CB 3.26Å; E99-S102 PolarHBondContact O-N 2.97Å; E99-S103 WeakPolarHBondContact O-CB 3.34Å; E99-S103 PolarHBondContact O-N 3.5Å; E99-S103 PolarHBondContact O-OG 3.21Å; E99-S103 VanDerWaalsContact O-OG 3.07Å
100Y97.3Very high98.1Very high163 Ų16364.4 Ų64.464%0.63931%0.311SS*.Hα-helixtrans-59.3-49.6178.5173.2-107.8000111.8L98 M104L98-Y100 VanDerWaalsContact C-N 3.3Å; L98-Y100 PolarHBondContact O-N 3.12Å; Y100-M104 HydrophobicContact CD1-CE 4.04Å; Y100-M104 HydrophobicContact CE1-CE 3.2Å; Y100-M104 HydrophobicContact CE2-CE 4Å; Y100-M104 VanDerWaalsContact O-CB 3.31Å; Y100-M104 WeakPolarHBondContact O-CB 3.37Å; Y100-M104 PolarHBondContact O-N 3.39Å; Y100-M104 WeakPolarHBondContact OH-CE 3.36Å
101H97.6Very high98Very high92 Ų9269.9 Ų69.943%0.42634%0.335SS..Hα-helixtrans-69.6-38.5179.5-63.2-64.4000111.7L93 L98 I105L93-H101 HydrophobicContact CD1-CB 3.98Å; L98-H101 PolarHBondContact O-N 2.79Å; L98-H101 VanDerWaalsContact O-N 3.17Å; H101-I105 WeakPolarHBondContact O-CG1 3.45Å; H101-I105 PolarHBondContact O-N 3.45Å; H101-I105 VanDerWaalsContact O-N 3.13Å
102S98.3Very high97.9Very high0 Ų068.2 Ų68.20%033%0.326CS..Hα-helixtrans-55.5-54.8173.8177.90000111.2S90 R94 L98 E99 I105 A106S90-S102 VanDerWaalsContact O-CB 3.23Å; S90-S102 WeakPolarHBondContact O-CB 3.39Å; S90-S102 PolarHBondContact O-OG 2.78Å; S90-S102 PolarHBondContact OG-O 3.14Å; S90-S102 PolarHBondContact OG-OG 3.35Å; S90-S102 VanDerWaalsContact OG-OG 3.08Å; R94-S102 PolarHBondContact NH2-OG 3.24Å; R94-S102 VanDerWaalsContact NH2-OG 3.07Å; L98-S102 PolarHBondContact O-N 3.32Å; E99-S102 WeakPolarHBondContact O-CB 3.26Å; E99-S102 PolarHBondContact O-N 2.97Å; S102-I105 PolarHBondContact O-N 3.25Å; S102-A106 WeakPolarHBondContact O-CB 3.42Å; S102-A106 PolarHBondContact O-N 3.32Å
103S97.6Very high97.8Very high41 Ų4167.1 Ų67.129%0.28732%0.321SS..Hα-helixtrans-64.9-42.6-177.4-62.90000111.8E99 I105 A106 D107E99-S103 WeakPolarHBondContact O-CB 3.34Å; E99-S103 PolarHBondContact O-N 3.5Å; E99-S103 PolarHBondContact O-OG 3.21Å; E99-S103 VanDerWaalsContact O-OG 3.07Å; S103-I105 PolarHBondContact O-N 3.13Å; S103-A106 PolarHBondContact O-N 2.86Å; S103-D107 VanDerWaalsContact O-CB 3.3Å; S103-D107 WeakPolarHBondContact O-CB 3.36Å; S103-D107 VanDerWaalsContact O-CG 3.27Å; S103-D107 PolarHBondContact O-N 3.17Å
104M97.6Very high97.7Very high45 Ų4574.5 Ų74.522%0.22235%0.352CS..Hα-helixtrans-55.8-48.6177-178-167.2-62.400112.4Y100 A108 L140Y100-M104 HydrophobicContact CD1-CE 4.04Å; Y100-M104 HydrophobicContact CE1-CE 3.2Å; Y100-M104 HydrophobicContact CE2-CE 4Å; Y100-M104 VanDerWaalsContact O-CB 3.31Å; Y100-M104 WeakPolarHBondContact O-CB 3.37Å; Y100-M104 PolarHBondContact O-N 3.39Å; Y100-M104 WeakPolarHBondContact OH-CE 3.36Å; M104-A108 WeakPolarHBondContact O-CB 3.23Å; M104-A108 PolarHBondContact O-N 3.22Å; M104-L140 HydrophobicContact CG-CD2 4.03Å; M104-L140 WeakPolarHBondContact CG-O 3.28Å; M104-L140 HydrophobicContact SD-CB 4.32Å; M104-L140 HydrophobicContact SD-CD2 4.33Å
105I97.9Very high97.6Very high42 Ų4273.5 Ų73.522%0.21536%0.357CS..Hα-helixtrans-67.7-46.7179.8-66.1173.9000110.5L93 H101 S102 S103 D107 A108 V109 L140L93-I105 HydrophobicContact CD1-CD1 3.61Å; H101-I105 WeakPolarHBondContact O-CG1 3.45Å; H101-I105 PolarHBondContact O-N 3.45Å; H101-I105 VanDerWaalsContact O-N 3.13Å; S102-I105 PolarHBondContact O-N 3.25Å; S103-I105 PolarHBondContact O-N 3.13Å; I105-D107 VanDerWaalsContact C-N 3.32Å; I105-D107 PolarHBondContact O-N 3.05Å; I105-A108 PolarHBondContact O-N 3.27Å; I105-V109 HydrophobicContact CG2-CG2 4.45Å; I105-V109 WeakPolarHBondContact O-CG2 3.37Å; I105-V109 PolarHBondContact O-N 3.27Å; I105-L140 HydrophobicContact CG1-CD2 4.01Å
106A98.1Very high97.4Very high4 Ų470 Ų703%0.03335%0.346CS..Hα-helixtrans-58.8-44.8-179.800000111.7L87 S90 S102 S103 V109 K110L87-A106 HydrophobicContact CD2-CB 4.49Å; S90-A106 WeakPolarHBondContact OG-CB 3.38Å; S102-A106 WeakPolarHBondContact O-CB 3.42Å; S102-A106 PolarHBondContact O-N 3.32Å; S103-A106 PolarHBondContact O-N 2.86Å; A106-V109 PolarHBondContact O-N 3.04Å; A106-K110 WeakPolarHBondContact O-CB 3.33Å; A106-K110 WeakPolarHBondContact O-CD 3.42Å; A106-K110 WeakPolarHBondContact O-CG 3.29Å; A106-K110 PolarHBondContact O-N 3.49Å
107D97.9Very high97.2Very high93 Ų9374.1 Ų74.150%0.49736%0.36SS..Hα-helixtrans-71.4-38.4-177.8-70.2-15.8000111.8S103 I105 K110 K111S103-D107 VanDerWaalsContact O-CB 3.3Å; S103-D107 WeakPolarHBondContact O-CB 3.36Å; S103-D107 VanDerWaalsContact O-CG 3.27Å; S103-D107 PolarHBondContact O-N 3.17Å; I105-D107 VanDerWaalsContact C-N 3.32Å; I105-D107 PolarHBondContact O-N 3.05Å; D107-K110 PolarHBondContact O-N 2.91Å; D107-K111 WeakPolarHBondContact O-CB 3.17Å; D107-K111 PolarHBondContact O-N 2.93Å
108A98.1Very high97.1Very high2 Ų268.5 Ų68.52%0.01733%0.331CS..Hα-helixtrans-60.2-47.1173.300000111.6M104 I105 K111 V112 V136 H139 L140M104-A108 WeakPolarHBondContact O-CB 3.23Å; M104-A108 PolarHBondContact O-N 3.22Å; I105-A108 PolarHBondContact O-N 3.27Å; A108-K111 PolarHBondContact O-N 3.27Å; A108-V112 WeakPolarHBondContact O-CG2 3.47Å; A108-V112 PolarHBondContact O-N 2.98Å; A108-V136 HydrophobicContact CB-CG1 4.12Å; A108-H139 HydrophobicContact CB-CB 4Å; A108-L140 HydrophobicContact CB-CD2 3.79Å; A108-L140 HydrophobicContact CB-CG 4.34Å
109V97.9Very high97Very high0 Ų069.8 Ų69.80%033%0.33CS..Hα-helixtrans-61-50.6176.81720000111T83 L86 L87 I105 A106 K111 V112 I113 V136T83-V109 HydrophobicContact CG2-CG1 3.87Å; L86-V109 HydrophobicContact CB-CG2 3.94Å; L86-V109 HydrophobicContact CD1-CG2 3.87Å; L87-V109 HydrophobicContact CD2-CB 4.22Å; L87-V109 HydrophobicContact CD2-CG1 3.98Å; L87-V109 HydrophobicContact CG-CG1 4.17Å; I105-V109 HydrophobicContact CG2-CG2 4.45Å; I105-V109 WeakPolarHBondContact O-CG2 3.37Å; I105-V109 PolarHBondContact O-N 3.27Å; A106-V109 PolarHBondContact O-N 3.04Å; V109-K111 VanDerWaalsContact C-N 3.28Å; V109-K111 PolarHBondContact O-N 3.38Å; V109-V112 PolarHBondContact O-N 3.24Å; V109-I113 HydrophobicContact CG1-CD1 3.88Å; V109-I113 WeakPolarHBondContact O-CG1 3.44Å; V109-I113 PolarHBondContact O-N 3.47Å; V109-I113 VanDerWaalsContact O-N 3.08Å; V109-V136 HydrophobicContact CG2-CG1 3.9Å; V109-V136 HydrophobicContact CG2-CG2 4.1Å
110K97.1Very high96.9Very high122 Ų12265.4 Ų65.453%0.5331%0.31SS..Hα-helixtrans-59-39.6178-72168.1-171.8170.90111.8A106 D107 I113 K114A106-K110 WeakPolarHBondContact O-CB 3.33Å; A106-K110 WeakPolarHBondContact O-CD 3.42Å; A106-K110 WeakPolarHBondContact O-CG 3.29Å; A106-K110 PolarHBondContact O-N 3.49Å; D107-K110 PolarHBondContact O-N 2.91Å; K110-I113 PolarHBondContact O-N 3.12Å; K110-K114 VanDerWaalsContact O-CB 3.23Å; K110-K114 WeakPolarHBondContact O-CB 3.18Å; K110-K114 PolarHBondContact O-N 2.97Å
111K97.3Very high96.6Very high115 Ų11567.1 Ų67.150%0.532%0.315SS..Hα-helixtrans-65.9-44.2178.9-173.8168.6176.4-176.10111.8D107 A108 V109 I113 K114 V115D107-K111 WeakPolarHBondContact O-CB 3.17Å; D107-K111 PolarHBondContact O-N 2.93Å; A108-K111 PolarHBondContact O-N 3.27Å; V109-K111 VanDerWaalsContact C-N 3.28Å; V109-K111 PolarHBondContact O-N 3.38Å; K111-I113 PolarHBondContact O-N 3.39Å; K111-K114 PolarHBondContact O-N 2.91Å; K111-V115 HydrophobicContact CG-CG2 4.42Å; K111-V115 WeakPolarHBondContact O-CB 3.25Å; K111-V115 VanDerWaalsContact O-CG2 3.28Å; K111-V115 WeakPolarHBondContact O-CG2 3.17Å; K111-V115 PolarHBondContact O-N 2.76Å
112V97.1Very high96.3Very high2 Ų266.2 Ų66.21%0.01231%0.313CS..Hα-helixtrans-59.2-46.9175.3170.70000111.2A108 V109 V115 G116 F132 S135 V136 H139A108-V112 WeakPolarHBondContact O-CG2 3.47Å; A108-V112 PolarHBondContact O-N 2.98Å; V109-V112 PolarHBondContact O-N 3.24Å; V112-V115 PolarHBondContact O-N 3.2Å; V112-G116 PolarHBondContact O-N 2.98Å; V112-F132 HydrophobicContact CG1-CD2 4.25Å; V112-F132 HydrophobicContact CG1-CE2 3.8Å; V112-F132 HydrophobicContact CG1-CZ 4Å; V112-S135 WeakPolarHBondContact CG2-OG 3.08Å; V112-V136 HydrophobicContact CB-CG2 4.39Å; V112-V136 HydrophobicContact CG2-CG2 4.03Å; V112-H139 HydrophobicContact CG2-CB 4.45Å
113I96.3Very high96Very high52 Ų5268.2 Ų68.227%0.26732%0.323SS..Hα-helixtrans-62.1-46.1178.6-66169.2000111T83 V109 K110 K111 G116 F132T83-I113 HydrophobicContact CG2-CD1 3.61Å; V109-I113 HydrophobicContact CG1-CD1 3.88Å; V109-I113 WeakPolarHBondContact O-CG1 3.44Å; V109-I113 PolarHBondContact O-N 3.47Å; V109-I113 VanDerWaalsContact O-N 3.08Å; K110-I113 PolarHBondContact O-N 3.12Å; K111-I113 PolarHBondContact O-N 3.39Å; I113-G116 WeakPolarHBondContact O-CA 3.4Å; I113-G116 PolarHBondContact O-N 2.86Å; I113-F132 HydrophobicContact CD1-CZ 4.45Å; I113-F132 HydrophobicContact CG1-CE2 4.35Å; I113-F132 HydrophobicContact CG1-CZ 3.93Å
114K96.4Very high95.8Very high185 Ų18569.3 Ų69.380%0.80434%0.341SS*.Hα-helixtrans-63.2-43.2179.9-177.6175.1-179.6175.80112.6K110 K111 G116K110-K114 VanDerWaalsContact O-CB 3.23Å; K110-K114 WeakPolarHBondContact O-CB 3.18Å; K110-K114 PolarHBondContact O-N 2.97Å; K111-K114 PolarHBondContact O-N 2.91Å; K114-G116 VanDerWaalsContact C-N 3.27Å; K114-G116 PolarHBondContact O-N 3.31Å
115V96.1Very high95.6Very high76 Ų7667.8 Ų67.846%0.46134%0.337SS..Hα-helixtrans-65.6-34.2176.1168.60000110.9K111 V112 K117K111-V115 HydrophobicContact CG-CG2 4.42Å; K111-V115 WeakPolarHBondContact O-CB 3.25Å; K111-V115 VanDerWaalsContact O-CG2 3.28Å; K111-V115 WeakPolarHBondContact O-CG2 3.17Å; K111-V115 PolarHBondContact O-N 2.76Å; V112-V115 PolarHBondContact O-N 3.2Å; V115-K117 HydrophobicContact CG1-CB 4.17Å; V115-K117 HydrophobicContact CG1-CD 3.9Å; V115-K117 HydrophobicContact CG1-CG 3.76Å; V115-K117 PolarHBondContact O-N 3.08Å; V115-K117 VanDerWaalsContact O-N 3.17Å
116G93.8Very high95.5Very high22 Ų2277 Ų7723%0.22737%0.371CS..  trans73.73.9169.100000116.2V112 I113 K114V112-G116 PolarHBondContact O-N 2.98Å; I113-G116 WeakPolarHBondContact O-CA 3.4Å; I113-G116 PolarHBondContact O-N 2.86Å; K114-G116 VanDerWaalsContact C-N 3.27Å; K114-G116 PolarHBondContact O-N 3.31Å
117K95.1Very high95.4Very high184 Ų18478.1 Ų78.180%0.838%0.378SS*.SBendtrans-68.2-33.9178.9-75.2-179179.3-176.20113.7V115V115-K117 HydrophobicContact CG1-CB 4.17Å; V115-K117 HydrophobicContact CG1-CD 3.9Å; V115-K117 HydrophobicContact CG1-CG 3.76Å; V115-K117 PolarHBondContact O-N 3.08Å; V115-K117 VanDerWaalsContact O-N 3.17Å
118V96.2Very high95.4Very high29 Ų2975.7 Ų75.718%0.17637%0.367CS..SBendtrans-122.2114-177.5-176.50000107.8S127 D131 F132V118-S127 WeakPolarHBondContact CG1-OG 3.37Å; V118-D131 HydrophobicContact CG1-CB 4.05Å; V118-F132 HydrophobicContact CG1-CB 4.22Å; V118-F132 HydrophobicContact CG1-CD2 4.27Å
119R95.9Very high95.3Very high104 Ų10477 Ų7739%0.39238%0.375SS..  trans-141133-177.5-70.7-176.9179.3172.63.9109.5M123 G125 Y126 S127R119-M123 HydrophobicContact CB-CB 4.27Å; R119-M123 HydrophobicContact CB-CE 4.44Å; R119-G125 CarbonylContact O-C 3.53Å; R119-G125 VanDerWaalsContact O-CA 3.26Å; R119-G125 WeakPolarHBondContact O-CA 3.4Å; R119-Y126 PolarHBondContact O-N 3.19Å; R119-S127 PolarHBondContact N-OG 2.84Å; R119-S127 VanDerWaalsContact O-CB 3.24Å; R119-S127 WeakPolarHBondContact O-CB 3.5Å; R119-S127 PolarHBondContact O-N 3.48Å; R119-S127 PolarHBondContact O-OG 3.28Å
120T94.8Very high95.3Very high0 Ų079.8 Ų79.80%039%0.392CS..  trans-73.4167.7172.448.30000111N81 D122 M123 G124 G125 F132N81-T120 WeakPolarHBondContact CB-OG1 3.27Å; N81-T120 VanDerWaalsContact CG-OG1 3.26Å; N81-T120 PolarHBondContact ND2-OG1 2.56Å; T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 VanDerWaalsContact CB-OD1 3.22Å; T120-D122 WeakPolarHBondContact CB-OD1 3.4Å; T120-D122 PolarHBondContact O-N 2.83Å; T120-D122 PolarHBondContact OG1-OD1 3.39Å; T120-M123 CarbonylContact O-C 3.56Å; T120-M123 PolarHBondContact O-N 3.23Å; T120-M123 WeakPolarHBondContact OG1-CE 3.38Å; T120-G124 PolarHBondContact O-N 2.88Å; T120-G125 PolarHBondContact O-N 2.78Å; T120-F132 HydrophobicContact CG2-CB 4.28Å
121R92.2Very high95.3Very high200 Ų20077.2 Ų77.276%0.75538%0.384SS*.G310 helixtrans-61.1-35.4-171.3-172.9176.1176.2176.7-0.8114.3M123 G124 G125R121-M123 VanDerWaalsContact C-N 3.26Å; R121-M123 PolarHBondContact O-N 3.38Å; R121-G124 PolarHBondContact O-N 3.38Å; R121-G125 WeakPolarHBondContact CA-O 2.99Å
122D90.2Very high95.3Very high72 Ų7271.7 Ų71.739%0.38536%0.36SS..G310 helixtrans-64.6-28.3175.763.4-45.9000112.9N81 T120 G124N81-D122 WeakPolarHBondContact CB-OD1 3.47Å; N81-D122 WeakPolarHBondContact CB-OD2 2.96Å; N81-D122 PolarHBondContact ND2-OD1 2.63Å; N81-D122 PolarHBondContact ND2-OD2 2.95Å; T120-D122 VanDerWaalsContact C-N 3.31Å; T120-D122 VanDerWaalsContact CB-OD1 3.22Å; T120-D122 WeakPolarHBondContact CB-OD1 3.4Å; T120-D122 PolarHBondContact O-N 2.83Å; T120-D122 PolarHBondContact OG1-OD1 3.39Å; D122-G124 VanDerWaalsContact C-N 3.29Å
123M92.4Very high95.4Very high42 Ų4274.2 Ų74.221%0.20737%0.373CS..G310 helixtrans-90.914.5171.6-63.7-172.1-68.400113V50 N81 R119 T120 R121 F132V50-M123 HydrophobicContact CG1-CG 4.24Å; V50-M123 HydrophobicContact CG1-SD 3.84Å; N81-M123 WeakPolarHBondContact ND2-CE 3.47Å; R119-M123 HydrophobicContact CB-CB 4.27Å; R119-M123 HydrophobicContact CB-CE 4.44Å; T120-M123 CarbonylContact O-C 3.56Å; T120-M123 PolarHBondContact O-N 3.23Å; T120-M123 WeakPolarHBondContact OG1-CE 3.38Å; R121-M123 VanDerWaalsContact C-N 3.26Å; R121-M123 PolarHBondContact O-N 3.38Å; M123-F132 HydrophobicContact CE-CD2 4.19Å; M123-F132 HydrophobicContact CE-CE2 3.61Å; M123-F132 HydrophobicContact CE-CZ 4.28Å
124G92.5Very high95.4Very high64 Ų6478.4 Ų78.466%0.6639%0.389SS*.THydrogen-bonded Turntrans76.814.8179.800000115.3T120 R121 D122T120-G124 PolarHBondContact O-N 2.88Å; R121-G124 PolarHBondContact O-N 3.38Å; D122-G124 VanDerWaalsContact C-N 3.29Å
125G94.4Very high95.4Very high14 Ų1470.9 Ų70.914%0.14436%0.36CS..  trans-100.4-173.8177.100000114.4R119 T120 R121R119-G125 CarbonylContact O-C 3.53Å; R119-G125 VanDerWaalsContact O-CA 3.26Å; R119-G125 WeakPolarHBondContact O-CA 3.4Å; T120-G125 PolarHBondContact O-N 2.78Å; R121-G125 WeakPolarHBondContact CA-O 2.99Å
126Y95.5Very high95.5Very high234 Ų23467.6 Ų67.692%0.91834%0.34SS*.  trans-1226.4-179.1-63.1-85.5000113.2R119R119-Y126 PolarHBondContact O-N 3.19Å
127S97.2Very high95.6Very high28 Ų2871 Ų7120%0.19635%0.352CS..  trans-80.1148.5-177.9-51.30000111.7V118 R119V118-S127 WeakPolarHBondContact CG1-OG 3.37Å; R119-S127 PolarHBondContact N-OG 2.84Å; R119-S127 VanDerWaalsContact O-CB 3.24Å; R119-S127 WeakPolarHBondContact O-CB 3.5Å; R119-S127 PolarHBondContact O-N 3.48Å; R119-S127 PolarHBondContact O-OG 3.28Å
128T97.1Very high95.7Very high42 Ų4264.3 Ų64.326%0.25834%0.336SS..  trans-78.9167.5174.766.60000111.9N78 T130 D131 F132N78-T128 WeakPolarHBondContact ND2-CB 3.22Å; N78-T128 WeakPolarHBondContact O-CA 3.42Å; N78-T128 VanDerWaalsContact O-CB 3.24Å; N78-T128 WeakPolarHBondContact O-CB 3.45Å; T128-T130 PolarHBondContact O-N 3.39Å; T128-T130 PolarHBondContact OG1-N 3.25Å; T128-D131 WeakPolarHBondContact CB-OD2 3.26Å; T128-D131 PolarHBondContact N-OD2 3.48Å; T128-D131 PolarHBondContact O-N 2.63Å; T128-D131 PolarHBondContact OG1-N 2.8Å; T128-D131 VanDerWaalsContact OG1-N 3.12Å; T128-D131 PolarHBondContact OG1-OD2 2.84Å; T128-F132 PolarHBondContact O-N 3Å; T128-F132 VanDerWaalsContact O-N 3.11Å
129T96.3Very high95.6Very high29 Ų2965.8 Ų65.818%0.17834%0.341CS..Hα-helixtrans-53.9-44170.1-48.50000110.4N78 I79 A80 P82 F132 I133N78-T129 PolarHBondContact O-N 3.11Å; N78-T129 PolarHBondContact O-OG1 2.95Å; N78-T129 VanDerWaalsContact OD1-CB 3.26Å; N78-T129 WeakPolarHBondContact OD1-CB 3.48Å; N78-T129 PolarHBondContact OD1-N 3.42Å; I79-T129 PolarHBondContact N-OG1 3.27Å; A80-T129 PolarHBondContact N-OG1 3.06Å; A80-T129 WeakPolarHBondContact O-CB 3.44Å; A80-T129 WeakPolarHBondContact O-CG2 3.49Å; A80-T129 PolarHBondContact O-OG1 3.3Å; P82-T129 HydrophobicContact CB-CG2 4.28Å; P82-T129 HydrophobicContact CG-CG2 4.21Å; T129-F132 PolarHBondContact O-N 2.82Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.61Å
130T97.3Very high95.4Very high60 Ų6062.8 Ų62.837%0.36833%0.332SS..Hα-helixtrans-62.9-43-179.9-60.30000112.3N78 T128 F132 I133 K134N78-T130 PolarHBondContact ND2-OG1 3.15Å; N78-T130 PolarHBondContact OD1-N 3.04Å; N78-T130 PolarHBondContact OD1-OG1 3.32Å; T128-T130 PolarHBondContact O-N 3.39Å; T128-T130 PolarHBondContact OG1-N 3.25Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.19Å; T130-I133 PolarHBondContact O-N 3.25Å; T130-K134 HydrophobicContact CG2-CD 4.17Å; T130-K134 WeakPolarHBondContact O-CB 3.41Å; T130-K134 WeakPolarHBondContact O-CG 3.36Å; T130-K134 PolarHBondContact O-N 3.19Å
131D97.8Very high94.5Very high67 Ų6769.2 Ų69.236%0.35836%0.362SS..Hα-helixtrans-62.7-42.4178-60-39.2000111V118 T128 K134 S135V118-D131 HydrophobicContact CG1-CB 4.05Å; T128-D131 WeakPolarHBondContact CB-OD2 3.26Å; T128-D131 PolarHBondContact N-OD2 3.48Å; T128-D131 PolarHBondContact O-N 2.63Å; T128-D131 PolarHBondContact OG1-N 2.8Å; T128-D131 VanDerWaalsContact OG1-N 3.12Å; T128-D131 PolarHBondContact OG1-OD2 2.84Å; D131-K134 PolarHBondContact O-N 3.26Å; D131-S135 WeakPolarHBondContact O-CB 3.39Å; D131-S135 PolarHBondContact O-N 3.12Å
132F97.8Very high92.9Very high0 Ų065.1 Ų65.10%036%0.361CS..Hα-helixtrans-61.8-48.8177.2-165.1-84.1000111.5P82 T83 V112 I113 V118 T120 M123 T128 T129 T130 K134 S135 V136P82-F132 HydrophobicContact CG-CB 4.33Å; P82-F132 HydrophobicContact CG-CD1 3.5Å; P82-F132 HydrophobicContact CG-CE1 4.16Å; P82-F132 HydrophobicContact CG-CG 4.19Å; T83-F132 WeakPolarHBondContact OG1-CE1 3.27Å; T83-F132 VanDerWaalsContact OG1-CZ 3.3Å; T83-F132 WeakPolarHBondContact OG1-CZ 3.38Å; V112-F132 HydrophobicContact CG1-CD2 4.25Å; V112-F132 HydrophobicContact CG1-CE2 3.8Å; V112-F132 HydrophobicContact CG1-CZ 4Å; I113-F132 HydrophobicContact CD1-CZ 4.45Å; I113-F132 HydrophobicContact CG1-CE2 4.35Å; I113-F132 HydrophobicContact CG1-CZ 3.93Å; V118-F132 HydrophobicContact CG1-CB 4.22Å; V118-F132 HydrophobicContact CG1-CD2 4.27Å; T120-F132 HydrophobicContact CG2-CB 4.28Å; M123-F132 HydrophobicContact CE-CD2 4.19Å; M123-F132 HydrophobicContact CE-CE2 3.61Å; M123-F132 HydrophobicContact CE-CZ 4.28Å; T128-F132 PolarHBondContact O-N 3Å; T128-F132 VanDerWaalsContact O-N 3.11Å; T129-F132 PolarHBondContact O-N 2.82Å; T130-F132 VanDerWaalsContact C-N 3.31Å; T130-F132 PolarHBondContact O-N 3.19Å; F132-K134 PolarHBondContact O-N 3.35Å; F132-S135 WeakPolarHBondContact O-CB 3.49Å; F132-S135 PolarHBondContact O-N 2.9Å; F132-V136 HydrophobicContact CD1-CG2 3.9Å; F132-V136 HydrophobicContact CE1-CG2 3.68Å; F132-V136 WeakPolarHBondContact O-CG2 3.48Å; F132-V136 PolarHBondContact O-N 3.31Å
133I97.4Very high91Very high55 Ų5571 Ų7128%0.28239%0.386SS..Hα-helixtrans-59.2-45.8177.3-68.5-65.1000111.6P82 L86 T129 T130 S135 V136 I137P82-I133 HydrophobicContact CB-CD1 3.76Å; P82-I133 HydrophobicContact CB-CG1 4.37Å; P82-I133 HydrophobicContact CG-CD1 3.74Å; P82-I133 HydrophobicContact CG-CG1 4.08Å; L86-I133 HydrophobicContact CD1-CD1 3.86Å; L86-I133 HydrophobicContact CD2-CD1 4.31Å; L86-I133 HydrophobicContact CG-CD1 4.46Å; T129-I133 WeakPolarHBondContact O-CG1 3.42Å; T129-I133 PolarHBondContact O-N 2.61Å; T130-I133 PolarHBondContact O-N 3.25Å; I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.41Å; I133-V136 PolarHBondContact O-N 3.22Å; I133-V136 VanDerWaalsContact O-N 3.13Å; I133-I137 HydrophobicContact CG2-CD1 3.75Å; I133-I137 HydrophobicContact CG2-CG1 4.35Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 3.42Å
134K97.3Very high88.6Confident140 Ų14072.5 Ų72.561%0.60941%0.412SS*.Hα-helixtrans-58.6-41.7176.9-75.6174.4178.1175.60111.7T130 D131 F132 I137 G138T130-K134 HydrophobicContact CG2-CD 4.17Å; T130-K134 WeakPolarHBondContact O-CB 3.41Å; T130-K134 WeakPolarHBondContact O-CG 3.36Å; T130-K134 PolarHBondContact O-N 3.19Å; D131-K134 PolarHBondContact O-N 3.26Å; F132-K134 PolarHBondContact O-N 3.35Å; K134-I137 PolarHBondContact O-N 3.26Å; K134-G138 PolarHBondContact O-N 3.15Å
135S96.9Very high86Confident27 Ų2777 Ų7719%0.18946%0.458CS..Hα-helixtrans-62.7-42.7176.1-168.40000111.7V112 D131 F132 I133 G138 H139V112-S135 WeakPolarHBondContact CG2-OG 3.08Å; D131-S135 WeakPolarHBondContact O-CB 3.39Å; D131-S135 PolarHBondContact O-N 3.12Å; F132-S135 WeakPolarHBondContact O-CB 3.49Å; F132-S135 PolarHBondContact O-N 2.9Å; I133-S135 VanDerWaalsContact C-N 3.27Å; I133-S135 PolarHBondContact O-N 3.41Å; S135-G138 PolarHBondContact O-N 3.01Å; S135-H139 PolarHBondContact O-N 3.31Å; S135-H139 PolarHBondContact O-ND1 3.01Å
136V97.2Very high85.6Confident7 Ų780.2 Ų80.24%0.04247%0.474CS..Hα-helixtrans-62.3-47.9176173.60000110.7L86 A108 V109 V112 F132 I133 G138 H139 L140L86-V136 HydrophobicContact CD1-CG2 4.39Å; A108-V136 HydrophobicContact CB-CG1 4.12Å; V109-V136 HydrophobicContact CG2-CG1 3.9Å; V109-V136 HydrophobicContact CG2-CG2 4.1Å; V112-V136 HydrophobicContact CB-CG2 4.39Å; V112-V136 HydrophobicContact CG2-CG2 4.03Å; F132-V136 HydrophobicContact CD1-CG2 3.9Å; F132-V136 HydrophobicContact CE1-CG2 3.68Å; F132-V136 WeakPolarHBondContact O-CG2 3.48Å; F132-V136 PolarHBondContact O-N 3.31Å; I133-V136 PolarHBondContact O-N 3.22Å; I133-V136 VanDerWaalsContact O-N 3.13Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.01Å; V136-H139 CarbonylContact O-C 3.12Å; V136-H139 WeakPolarHBondContact O-CA 3.48Å; V136-H139 PolarHBondContact O-N 2.78Å; V136-L140 PolarHBondContact O-N 2.97Å; V136-L140 VanDerWaalsContact O-N 3.14Å
137I96.9Very high85Confident92 Ų9272.1 Ų72.147%0.47245%0.451SS..Hα-helixtrans-56.9-43.6177.7-68.1167.8000111I133 K134 H139 L140I133-I137 HydrophobicContact CG2-CD1 3.75Å; I133-I137 HydrophobicContact CG2-CG1 4.35Å; I133-I137 WeakPolarHBondContact O-CG1 3.39Å; I133-I137 PolarHBondContact O-N 3.42Å; K134-I137 PolarHBondContact O-N 3.26Å; I137-H139 PolarHBondContact O-N 2.82Å; I137-H139 VanDerWaalsContact O-N 3.12Å; I137-L140 HydrophobicContact CG1-CD1 4.38Å; I137-L140 WeakPolarHBondContact O-CB 3.4Å; I137-L140 PolarHBondContact O-N 3.28Å; I137-L140 VanDerWaalsContact O-N 3.12Å
138G95.8Very high84.4Confident45 Ų4574.5 Ų74.546%0.46447%0.465SS..Hα-helixtrans-61.5-18.5176.300000114.5K134 S135 V136K134-G138 PolarHBondContact O-N 3.15Å; S135-G138 PolarHBondContact O-N 3.01Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.01Å
139H94.3Very high83.6Confident60 Ų6076.4 Ų76.428%0.27848%0.477SS..Hα-helixtrans-104.5-2.5177.8-71.391.4000114.2A108 V112 S135 V136 I137 H141A108-H139 HydrophobicContact CB-CB 4Å; V112-H139 HydrophobicContact CG2-CB 4.45Å; S135-H139 PolarHBondContact O-N 3.31Å; S135-H139 PolarHBondContact O-ND1 3.01Å; V136-H139 CarbonylContact O-C 3.12Å; V136-H139 WeakPolarHBondContact O-CA 3.48Å; V136-H139 PolarHBondContact O-N 2.78Å; I137-H139 PolarHBondContact O-N 2.82Å; I137-H139 VanDerWaalsContact O-N 3.12Å; H139-H141 VanDerWaalsContact C-N 3.26Å; H139-H141 PolarHBondContact O-N 3.08Å
140L91.2Very high82.8Confident41 Ų4179.4 Ų79.422%0.21550%0.496CS..Hα-helixtrans-67.7-29.6175-71.2174.7000111.9M104 I105 A108 V136 I137M104-L140 HydrophobicContact CG-CD2 4.03Å; M104-L140 WeakPolarHBondContact CG-O 3.28Å; M104-L140 HydrophobicContact SD-CB 4.32Å; M104-L140 HydrophobicContact SD-CD2 4.33Å; I105-L140 HydrophobicContact CG1-CD2 4.01Å; A108-L140 HydrophobicContact CB-CD2 3.79Å; A108-L140 HydrophobicContact CB-CG 4.34Å; V136-L140 PolarHBondContact O-N 2.97Å; V136-L140 VanDerWaalsContact O-N 3.14Å; I137-L140 HydrophobicContact CG1-CD1 4.38Å; I137-L140 WeakPolarHBondContact O-CB 3.4Å; I137-L140 PolarHBondContact O-N 3.28Å; I137-L140 VanDerWaalsContact O-N 3.12Å
141H77.8Confident81.9Confident135 Ų13580.7 Ų80.763%0.62550%0.504SS*.SBendtrans-100130.1175.9-58.3-71.1000109.4H139 H143H139-H141 VanDerWaalsContact C-N 3.26Å; H139-H141 PolarHBondContact O-N 3.08Å; H141-H143 PolarHBondContact O-N 3.36Å
142P57.2Low80.7Confident114 Ų11481.6 Ų81.674%0.7452%0.515SS*.  trans-57.3128.1162.9-10.723.5000107.5G144P142-G144 VanDerWaalsContact C-N 3.26Å; P142-G144 PolarHBondContact O-N 3.21Å
143H50.7Low79.4Confident196 Ų19687.9 Ų87.991%0.90755%0.554SS**SBendtrans-62.7100.2156.1-76.3-35.2000107H141H141-H143 PolarHBondContact O-N 3.36Å
144G42.9Very low77.9Confident72 Ų7290.7 Ų90.774%0.74258%0.577SS**  trans178.897.5176.100000112.1P142P142-G144 VanDerWaalsContact C-N 3.26Å; P142-G144 PolarHBondContact O-N 3.21Å
145G36.7Very low76.1Confident159 Ų15986.2 Ų86.2100%1.63957%0.574SS**  trans112.90161.900000114.9

Retrieved 145 of 145 residues in 462.4 ms (Link to these results)

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