A0A077Z6I2_TRITR Loading...

DUF647 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6I2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low62.8Low243 Ų243122.1 Ų122.1100%1.19768%0.676SS**  0117.10-70.9179-179.500107A3M1-A3 PolarHBondContact O-N 3Å
2G46.5Very low64.3Low74 Ų74116.3 Ų116.376%0.76365%0.647SS**  trans-55.1131.1178.600000109.1Q4G2-Q4 VanDerWaalsContact C-N 3.27Å; G2-Q4 PolarHBondContact O-N 3.2Å
3A50.2Low65.4Low92 Ų92115.2 Ų115.276%0.7663%0.631SS**  trans-59.896.3175.200000107.4M1 R5M1-A3 PolarHBondContact O-N 3Å; A3-R5 PolarHBondContact O-N 2.98Å
4Q51.7Low66.2Low194 Ų194113.7 Ų113.791%0.90762%0.617SS**  trans-63.288.1163.5-81.6-176.9-23.300105.4G2 F6G2-Q4 VanDerWaalsContact C-N 3.27Å; G2-Q4 PolarHBondContact O-N 3.2Å; Q4-F6 PolarHBondContact O-N 3.33Å; Q4-F6 VanDerWaalsContact O-N 3.14Å
5R59.9Low66.3Low218 Ų218115.4 Ų115.482%0.82361%0.613SS**  trans-58.2117.4161.1-74.2-176.5174.7178.3-1.4104.7A3 L7A3-R5 PolarHBondContact O-N 2.98Å; R5-L7 PolarHBondContact O-N 3.18Å
6F64.3Low66.4Low104 Ų104115.1 Ų115.146%0.45660%0.602SS.*  trans-51.1123.5-176.7174.4-91.9000110.4Q4 G8 L10 H28Q4-F6 PolarHBondContact O-N 3.33Å; Q4-F6 VanDerWaalsContact O-N 3.14Å; F6-G8 VanDerWaalsContact CE1-CA 3.49Å; F6-G8 VanDerWaalsContact CE1-O 3.29Å; F6-G8 WeakPolarHBondContact CE1-O 3.28Å; F6-L10 HydrophobicContact CB-CD1 4.47Å; F6-L10 HydrophobicContact CD1-CD1 3.72Å; F6-L10 HydrophobicContact CD1-CD2 4.12Å; F6-L10 HydrophobicContact CD1-CG 3.58Å; F6-L10 HydrophobicContact CD2-CD2 3.91Å; F6-L10 HydrophobicContact CD2-CG 4.3Å; F6-L10 HydrophobicContact CE1-CB 4.33Å; F6-L10 HydrophobicContact CE1-CD1 4.04Å; F6-L10 HydrophobicContact CE1-CD2 3.86Å; F6-L10 HydrophobicContact CE1-CG 3.37Å; F6-L10 HydrophobicContact CE2-CD2 3.65Å; F6-L10 HydrophobicContact CE2-CG 4.13Å; F6-L10 HydrophobicContact CG-CD1 4.04Å; F6-L10 HydrophobicContact CG-CD2 4.13Å; F6-L10 HydrophobicContact CG-CG 4.05Å; F6-L10 HydrophobicContact CZ-CD2 3.62Å; F6-L10 HydrophobicContact CZ-CG 3.67Å; F6-H28 PolarHBondContact O-CD2 3.03Å
7L66.5Low66.2Low158 Ų158111.2 Ų111.283%0.82758%0.577SS**  trans-98.893.3176.3-82.4149.2000108.4R5R5-L7 PolarHBondContact O-N 3.18Å
8G78.4Confident65.7Low29 Ų29110.7 Ų110.730%0.29959%0.585SS.*SBendtrans158.3-156.7175.100000114.6F6 H28F6-G8 VanDerWaalsContact CE1-CA 3.49Å; F6-G8 VanDerWaalsContact CE1-O 3.29Å; F6-G8 WeakPolarHBondContact CE1-O 3.28Å; G8-H28 PolarHBondContact O-N 3.37Å
9T76.4Confident65.6Low77 Ų77109.9 Ų109.947%0.47258%0.576SS.*  trans-105125.9173.6-51.60000111.2E25 I26 E27T9-E25 HydrophobicContact CG2-CG 3.17Å; T9-E25 WeakPolarHBondContact CG2-OE1 3.44Å; T9-I26 CarbonylContact C-O 2.98Å; T9-I26 WeakPolarHBondContact CA-O 3.46Å; T9-E27 HydrophobicContact CG2-CG 4.5Å
10L80.2Confident65.4Low69 Ų69108.2 Ų108.236%0.36156%0.561SS.*EExtended strand (participates in β ladder)trans-98.8131.1177.5-76.4159.3000111.1F6 V12 E25 I26F6-L10 HydrophobicContact CB-CD1 4.47Å; F6-L10 HydrophobicContact CD1-CD1 3.72Å; F6-L10 HydrophobicContact CD1-CD2 4.12Å; F6-L10 HydrophobicContact CD1-CG 3.58Å; F6-L10 HydrophobicContact CD2-CD2 3.91Å; F6-L10 HydrophobicContact CD2-CG 4.3Å; F6-L10 HydrophobicContact CE1-CB 4.33Å; F6-L10 HydrophobicContact CE1-CD1 4.04Å; F6-L10 HydrophobicContact CE1-CD2 3.86Å; F6-L10 HydrophobicContact CE1-CG 3.37Å; F6-L10 HydrophobicContact CE2-CD2 3.65Å; F6-L10 HydrophobicContact CE2-CG 4.13Å; F6-L10 HydrophobicContact CG-CD1 4.04Å; F6-L10 HydrophobicContact CG-CD2 4.13Å; F6-L10 HydrophobicContact CG-CG 4.05Å; F6-L10 HydrophobicContact CZ-CD2 3.62Å; F6-L10 HydrophobicContact CZ-CG 3.67Å; L10-V12 HydrophobicContact CB-CG2 4Å; L10-E25 CarbonylContact O-C 3.57Å; L10-E25 WeakPolarHBondContact O-CA 3.37Å; L10-I26 HydrophobicContact CB-CB 4.36Å; L10-I26 PolarHBondContact N-O 3.49Å; L10-I26 PolarHBondContact O-N 2.96Å
11C79.5Confident65.5Low85 Ų85107.4 Ų107.457%0.57456%0.555SS**EExtended strand (participates in β ladder)trans-88.7104.4160.9-1750000109I23 F24C11-I23 WeakPolarHBondContact SG-CG2 3.37Å; C11-F24 CarbonylContact C-O 3.57Å; C11-F24 WeakPolarHBondContact CA-O 3.29Å
12V80.1Confident67.2Low53 Ų5396.2 Ų96.232%0.32150%0.501SS..EExtended strand (participates in β ladder)trans-99.2126.5178.6-179.10000109.5L10 I23 F24 I26L10-V12 HydrophobicContact CB-CG2 4Å; V12-I23 CarbonylContact O-C 3.55Å; V12-I23 WeakPolarHBondContact O-CA 3.5Å; V12-F24 HydrophobicContact CB-CB 4.41Å; V12-F24 PolarHBondContact N-O 3.13Å; V12-F24 PolarHBondContact O-N 3.25Å; V12-I26 HydrophobicContact CB-CD1 4.17Å; V12-I26 HydrophobicContact CG2-CD1 3.57Å; V12-I26 HydrophobicContact CG2-CG1 4.13Å
13K79.3Confident68.5Low102 Ų10293.3 Ų93.344%0.44347%0.467SS..EExtended strand (participates in β ladder)trans-100.2118.4170.9-62.8178.6-172.6179.40108.1Y15 R20K13-Y15 HydrophobicContact CB-CD2 4.47Å; K13-Y15 HydrophobicContact CB-CE2 3.67Å; K13-Y15 WeakPolarHBondContact O-CD2 3.49Å; K13-Y15 WeakPolarHBondContact O-CE2 3.2Å; K13-R20 VanDerWaalsContact CE-NH2 3.26Å
14E75.9Confident69.8Low94 Ų9491.5 Ų91.544%0.43944%0.442SS..EExtended strand (participates in β ladder)trans-88.1134174.4-179.3176.5-155.700109.9R20 H21 S22 F24E14-R20 CarbonylContact O-C 3.51Å; E14-R20 WeakPolarHBondContact O-CA 3.33Å; E14-H21 PolarHBondContact O-N 3.05Å; E14-S22 PolarHBondContact N-O 3.04Å; E14-S22 PolarHBondContact OE2-OG 3.13Å; E14-F24 HydrophobicContact CB-CD2 4.37Å; E14-F24 HydrophobicContact CB-CE2 3.68Å; E14-F24 WeakPolarHBondContact OE2-CE2 3.41Å; E14-F24 VanDerWaalsContact OE2-CZ 3.28Å; E14-F24 WeakPolarHBondContact OE2-CZ 3.49Å
15Y68Low71.1Confident139 Ų13985.2 Ų85.255%0.54541%0.413SS..EExtended strand (participates in β ladder)trans-122.3134.6176.7-60.2-93.9000109.2K13 K19 R20K13-Y15 HydrophobicContact CB-CD2 4.47Å; K13-Y15 HydrophobicContact CB-CE2 3.67Å; K13-Y15 WeakPolarHBondContact O-CD2 3.49Å; K13-Y15 WeakPolarHBondContact O-CE2 3.2Å; Y15-K19 CarbonylContact C-O 3.52Å; Y15-K19 VanDerWaalsContact CA-O 3.29Å; Y15-K19 WeakPolarHBondContact CA-O 3.11Å; Y15-R20 HydrophobicContact CD1-CB 3.94Å; Y15-R20 HydrophobicContact CD1-CG 4.45Å; Y15-R20 HydrophobicContact CE1-CB 3.85Å; Y15-R20 HydrophobicContact CE1-CG 4.14Å
16Y67.8Low71.9Confident111 Ų11177.7 Ų77.744%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-113.8117.1168.7-174.2-96.6000109.7S18 K19 L49 T53Y16-S18 VanDerWaalsContact C-N 3.28Å; Y16-S18 PolarHBondContact O-N 3.38Å; Y16-S18 VanDerWaalsContact O-N 3.12Å; Y16-K19 PolarHBondContact N-O 2.82Å; Y16-K19 PolarHBondContact O-N 2.83Å; Y16-L49 HydrophobicContact CD1-CD1 4.25Å; Y16-L49 HydrophobicContact CE1-CD1 4.19Å; Y16-T53 HydrophobicContact CE1-CG2 4.25Å
17R63.7Low72.5Confident48 Ų4876.3 Ų76.318%0.18138%0.383CS..THydrogen-bonded Turntrans40.552.5177-65.5-174.5175.3-146.36.8113.1Y52 L56R17-Y52 HydrophobicContact CB-CE1 4.03Å; R17-Y52 HydrophobicContact CG-CE1 4.47Å; R17-L56 PolarHBondContact NH1-O 3.01Å; R17-L56 VanDerWaalsContact NH1-O 3.12Å
18S57.5Low72.6Confident103 Ų10373.8 Ų73.872%0.7237%0.367SS*.THydrogen-bonded Turntrans83.7-8.7-179.478.50000118.9Y16Y16-S18 VanDerWaalsContact C-N 3.28Å; Y16-S18 PolarHBondContact O-N 3.38Å; Y16-S18 VanDerWaalsContact O-N 3.12Å
19K63.7Low72.2Confident96 Ų9679.6 Ų79.642%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-100.7129.5173.7-70.2-170.8178.7-179.10111.1Y15 Y16Y15-K19 CarbonylContact C-O 3.52Å; Y15-K19 VanDerWaalsContact CA-O 3.29Å; Y15-K19 WeakPolarHBondContact CA-O 3.11Å; Y16-K19 PolarHBondContact N-O 2.82Å; Y16-K19 PolarHBondContact O-N 2.83Å
20R61.3Low71.8Confident75 Ų7578.9 Ų78.928%0.28339%0.394SS..EExtended strand (participates in β ladder)trans-60.8140.8168.1-168.7-174.5-173.7-175.97.6108.2K13 E14 Y15K13-R20 VanDerWaalsContact CE-NH2 3.26Å; E14-R20 CarbonylContact O-C 3.51Å; E14-R20 WeakPolarHBondContact O-CA 3.33Å; Y15-R20 HydrophobicContact CD1-CB 3.94Å; Y15-R20 HydrophobicContact CD1-CG 4.45Å; Y15-R20 HydrophobicContact CE1-CB 3.85Å; Y15-R20 HydrophobicContact CE1-CG 4.14Å
21H66.4Low71.4Confident92 Ų9282 Ų8243%0.42641%0.406SS..EExtended strand (participates in β ladder)trans-119.6-42.7-177.2-140.168.1000111.8E14 E38E14-H21 PolarHBondContact O-N 3.05Å; H21-E38 PolarHBondContact O-N 2.9Å
22S73.6Confident71.2Confident8 Ų880.2 Ų80.26%0.05640%0.403CS..EExtended strand (participates in β ladder)trans-156.7150-16725.10000109.9E14 F24 E36E14-S22 PolarHBondContact N-O 3.04Å; E14-S22 PolarHBondContact OE2-OG 3.13Å; S22-F24 VanDerWaalsContact CB-CE2 3.42Å; S22-F24 VanDerWaalsContact CB-CZ 3.5Å; S22-F24 VanDerWaalsContact OG-CE2 3.22Å; S22-F24 WeakPolarHBondContact OG-CE2 3.35Å; S22-F24 WeakPolarHBondContact OG-CZ 3.31Å; S22-E36 CarbonylContact C-O 3.31Å; S22-E36 WeakPolarHBondContact CA-O 3.47Å
23I74.7Confident71.2Confident13 Ų1384.1 Ų84.17%0.06742%0.416CS..EExtended strand (participates in β ladder)trans-114.9128.4168.4-46.5172.7000107.6C11 V12 L35 E36C11-I23 WeakPolarHBondContact SG-CG2 3.37Å; V12-I23 CarbonylContact O-C 3.55Å; V12-I23 WeakPolarHBondContact O-CA 3.5Å; I23-L35 HydrophobicContact CB-CB 4.17Å; I23-L35 HydrophobicContact CG2-CB 4.17Å; I23-L35 HydrophobicContact CG2-CD1 3.93Å; I23-L35 PolarHBondContact O-N 3.34Å; I23-E36 HydrophobicContact CB-CB 4.27Å; I23-E36 HydrophobicContact CD1-CB 3.65Å; I23-E36 HydrophobicContact CD1-CG 4.46Å; I23-E36 WeakPolarHBondContact CD1-OE2 3.3Å; I23-E36 HydrophobicContact CG1-CB 4.02Å; I23-E36 PolarHBondContact N-O 3.47Å; I23-E36 PolarHBondContact O-N 3.12Å
24F77.3Confident71.1Confident53 Ų5384.3 Ų84.323%0.23242%0.421CS..EExtended strand (participates in β ladder)trans-113.4137.4175.9-54-91.4000109.3C11 V12 E14 S22 I26 I34C11-F24 CarbonylContact C-O 3.57Å; C11-F24 WeakPolarHBondContact CA-O 3.29Å; V12-F24 HydrophobicContact CB-CB 4.41Å; V12-F24 PolarHBondContact N-O 3.13Å; V12-F24 PolarHBondContact O-N 3.25Å; E14-F24 HydrophobicContact CB-CD2 4.37Å; E14-F24 HydrophobicContact CB-CE2 3.68Å; E14-F24 WeakPolarHBondContact OE2-CE2 3.41Å; E14-F24 VanDerWaalsContact OE2-CZ 3.28Å; E14-F24 WeakPolarHBondContact OE2-CZ 3.49Å; S22-F24 VanDerWaalsContact CB-CE2 3.42Å; S22-F24 VanDerWaalsContact CB-CZ 3.5Å; S22-F24 VanDerWaalsContact OG-CE2 3.22Å; S22-F24 WeakPolarHBondContact OG-CE2 3.35Å; S22-F24 WeakPolarHBondContact OG-CZ 3.31Å; F24-I26 HydrophobicContact CB-CG1 4.1Å; F24-I34 HydrophobicContact CD1-CG1 3.87Å; F24-I34 HydrophobicContact CE1-CD1 4.31Å; F24-I34 HydrophobicContact CE1-CG1 3.75Å
25E79.4Confident71.2Confident63 Ų6384.1 Ų84.129%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-91.2120.8157.2-168.8171.3-156.800106.8T9 L10 G32 K33 L35T9-E25 HydrophobicContact CG2-CG 3.17Å; T9-E25 WeakPolarHBondContact CG2-OE1 3.44Å; L10-E25 CarbonylContact O-C 3.57Å; L10-E25 WeakPolarHBondContact O-CA 3.37Å; E25-G32 CarbonylContact O-C 3.59Å; E25-G32 VanDerWaalsContact O-C 3.31Å; E25-G32 WeakPolarHBondContact O-CA 3.47Å; E25-K33 PolarHBondContact N-O 3.01Å; E25-K33 PolarHBondContact O-N 3.41Å; E25-L35 HydrophobicContact CB-CD1 3.79Å; E25-L35 HydrophobicContact CB-CD2 3.93Å; E25-L35 HydrophobicContact CB-CG 3.72Å
26I76.6Confident71.5Confident60 Ų6083 Ų8331%0.30842%0.422SS..EExtended strand (participates in β ladder)trans-115.3115177.7-53.6-178.1000108T9 L10 V12 F24T9-I26 CarbonylContact C-O 2.98Å; T9-I26 WeakPolarHBondContact CA-O 3.46Å; L10-I26 HydrophobicContact CB-CB 4.36Å; L10-I26 PolarHBondContact N-O 3.49Å; L10-I26 PolarHBondContact O-N 2.96Å; V12-I26 HydrophobicContact CB-CD1 4.17Å; V12-I26 HydrophobicContact CG2-CD1 3.57Å; V12-I26 HydrophobicContact CG2-CG1 4.13Å; F24-I26 HydrophobicContact CB-CG1 4.1Å
27E76.2Confident71.6Confident74 Ų7482.3 Ų82.335%0.34643%0.429SS..  trans-82158.1174.1-59.3176.3-177.700110.7T9 H29 G30 H31T9-E27 HydrophobicContact CG2-CG 4.5Å; E27-H29 PolarHBondContact O-N 2.95Å; E27-G30 PolarHBondContact O-N 3.34Å; E27-H31 WeakPolarHBondContact CA-O 3.39Å; E27-H31 VanDerWaalsContact CB-O 3.31Å; E27-H31 WeakPolarHBondContact CB-O 3.45Å; E27-H31 PolarHBondContact N-O 2.91Å
28H68.7Low71.9Confident106 Ų10684.7 Ų84.749%0.49144%0.442SS..THydrogen-bonded Turntrans-51.6-28.7-177.8179.6-94000114.7F6 G8 G30F6-H28 PolarHBondContact O-CD2 3.03Å; G8-H28 PolarHBondContact O-N 3.37Å; H28-G30 VanDerWaalsContact C-N 3.26Å; H28-G30 PolarHBondContact O-N 3.21Å
29H70.6Confident72.4Confident150 Ų15091 Ų9169%0.69445%0.45SS*.THydrogen-bonded Turntrans-82.96.8-179.9-64.4-68.9000114.3E27 H31E27-H29 PolarHBondContact O-N 2.95Å; H29-H31 PolarHBondContact O-N 2.94Å
30G68Low72.8Confident62 Ų6297 Ų9764%0.63947%0.47SS*.SBendtrans76.9-2.8-175.600000113.7E27 H28E27-G30 PolarHBondContact O-N 3.34Å; H28-G30 VanDerWaalsContact C-N 3.26Å; H28-G30 PolarHBondContact O-N 3.21Å
31H70.9Confident73.3Confident134 Ų13495.5 Ų95.562%0.6247%0.471SS*.  trans-72.2131.3165.8-64.8-58.9000108.9E27 H29E27-H31 WeakPolarHBondContact CA-O 3.39Å; E27-H31 VanDerWaalsContact CB-O 3.31Å; E27-H31 WeakPolarHBondContact CB-O 3.45Å; E27-H31 PolarHBondContact N-O 2.91Å; H29-H31 PolarHBondContact O-N 2.94Å
32G76.4Confident74.2Confident49 Ų4994.8 Ų94.851%0.50547%0.472SS..EExtended strand (participates in β ladder)trans-140.5152.6177.400000112.1E25E25-G32 CarbonylContact O-C 3.59Å; E25-G32 VanDerWaalsContact O-C 3.31Å; E25-G32 WeakPolarHBondContact O-CA 3.47Å
33K79.5Confident74.8Confident135 Ų135101.5 Ų101.559%0.58751%0.507SS*.EExtended strand (participates in β ladder)trans-113.5136.5175.3-69.4177.3-176.2165.30109.1E25 L35E25-K33 PolarHBondContact N-O 3.01Å; E25-K33 PolarHBondContact O-N 3.41Å; K33-L35 PolarHBondContact O-N 3.5Å
34I77.7Confident75.2Confident106 Ų106108.7 Ų108.754%0.54454%0.535SS..EExtended strand (participates in β ladder)trans-72.2112.4168.7-59.5172.6000106.6F24 T37F24-I34 HydrophobicContact CD1-CG1 3.87Å; F24-I34 HydrophobicContact CE1-CD1 4.31Å; F24-I34 HydrophobicContact CE1-CG1 3.75Å; I34-T37 WeakPolarHBondContact CG2-OG1 3.36Å
35L77.6Confident75.6Confident90 Ų90109.9 Ų109.947%0.47154%0.541SS..EExtended strand (participates in β ladder)trans-77.8-39.7178.8-69.2174.9000111.1I23 E25 K33I23-L35 HydrophobicContact CB-CB 4.17Å; I23-L35 HydrophobicContact CG2-CB 4.17Å; I23-L35 HydrophobicContact CG2-CD1 3.93Å; I23-L35 PolarHBondContact O-N 3.34Å; E25-L35 HydrophobicContact CB-CD1 3.79Å; E25-L35 HydrophobicContact CB-CD2 3.93Å; E25-L35 HydrophobicContact CB-CG 3.72Å; K33-L35 PolarHBondContact O-N 3.5Å
36E74.6Confident75.9Confident116 Ų116113.1 Ų113.154%0.54255%0.55SS.*EExtended strand (participates in β ladder)trans-154.2125.3-177.6-160.8176.7-177.800109.2S22 I23S22-E36 CarbonylContact C-O 3.31Å; S22-E36 WeakPolarHBondContact CA-O 3.47Å; I23-E36 HydrophobicContact CB-CB 4.27Å; I23-E36 HydrophobicContact CD1-CB 3.65Å; I23-E36 HydrophobicContact CD1-CG 4.46Å; I23-E36 WeakPolarHBondContact CD1-OE2 3.3Å; I23-E36 HydrophobicContact CG1-CB 4.02Å; I23-E36 PolarHBondContact N-O 3.47Å; I23-E36 PolarHBondContact O-N 3.12Å
37T70.3Confident76.5Confident95 Ų95115.7 Ų115.758%0.58356%0.559SS**EExtended strand (participates in β ladder)trans-101.6128.8166.1-48.50000107I34I34-T37 WeakPolarHBondContact CG2-OG1 3.36Å
38E67.9Low77Confident99 Ų99115.4 Ų115.446%0.46356%0.559SS.*PPolyproline II helixtrans-56149.9170.4-84.4-163.6177.100110.4H21 R40H21-E38 PolarHBondContact O-N 2.9Å; E38-R40 PolarHBondContact O-N 3.36Å
39R69.2Low77.8Confident236 Ų236113 Ų11389%0.89155%0.55SS**PPolyproline II helixtrans-49.4138.5174.8-73.7-175.7178.8-174.80.1109.3P41R39-P41 VanDerWaalsContact O-N 3.17Å
40R70.9Confident78.7Confident220 Ų220111.6 Ų111.683%0.8354%0.542SS*.PPolyproline II helixtrans-46.5128.1173.2-73.7-175.2177.2-176.10.2108.6E38 T42E38-R40 PolarHBondContact O-N 3.36Å; R40-T42 PolarHBondContact O-N 3.04Å
41P73.8Confident79.8Confident45 Ų45111.3 Ų111.329%0.29253%0.525SS..PPolyproline II helixtrans-60.4137.7-174.322.1-32.4000109.5R39 Q45 R46R39-P41 VanDerWaalsContact O-N 3.17Å; P41-Q45 VanDerWaalsContact CA-OE1 3.25Å; P41-Q45 HydrophobicContact CB-CB 3.88Å; P41-R46 HydrophobicContact CB-CG 3.94Å; P41-R46 HydrophobicContact CG-CG 3.76Å; P41-R46 PolarHBondContact O-NE 2.95Å; P41-R46 VanDerWaalsContact O-NE 3.14Å
42T84.1Confident80.7Confident76 Ų76107.3 Ų107.347%0.46651%0.505SS..PPolyproline II helixtrans-59.7160.2174.667.50000110.2R40 Y44 Q45 R46R40-T42 PolarHBondContact O-N 3.04Å; T42-Y44 PolarHBondContact O-N 3.47Å; T42-Q45 PolarHBondContact O-N 2.88Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.37Å; T42-Q45 PolarHBondContact OG1-N 2.97Å; T42-Q45 VanDerWaalsContact OG1-N 3.12Å; T42-R46 WeakPolarHBondContact O-CG 3.34Å; T42-R46 PolarHBondContact O-N 3.37Å
43L86.2Confident81.3Confident149 Ų149106.7 Ų106.778%0.7849%0.491SS*.Hα-helixtrans-53.1-40.2175-71.4173.2000111.7R46 F47L43-R46 PolarHBondContact O-N 3.46Å; L43-F47 WeakPolarHBondContact O-CB 3.45Å; L43-F47 PolarHBondContact O-N 3Å
44Y84.4Confident81.9Confident165 Ų165101.4 Ų101.465%0.64747%0.473SS*.Hα-helixtrans-61.2-48.9173.6175.8-104.7000112.4T42 R46 F47 I48T42-Y44 PolarHBondContact O-N 3.47Å; Y44-R46 VanDerWaalsContact C-N 3.3Å; Y44-R46 PolarHBondContact O-N 3.36Å; Y44-F47 PolarHBondContact O-N 2.97Å; Y44-I48 HydrophobicContact CD1-CG1 4.32Å; Y44-I48 HydrophobicContact CD2-CG1 4.22Å; Y44-I48 HydrophobicContact CE1-CG1 3.91Å; Y44-I48 HydrophobicContact CE2-CD1 3.9Å; Y44-I48 HydrophobicContact CE2-CG1 3.79Å; Y44-I48 HydrophobicContact CG-CG1 4.47Å; Y44-I48 WeakPolarHBondContact O-CG1 3.32Å; Y44-I48 PolarHBondContact O-N 3.32Å
45Q84.5Confident82.8Confident78 Ų7898.3 Ų98.336%0.36446%0.455SS..Hα-helixtrans-63.1-37178.4-72.9170.5-20.400112.4P41 T42 L49P41-Q45 VanDerWaalsContact CA-OE1 3.25Å; P41-Q45 HydrophobicContact CB-CB 3.88Å; T42-Q45 PolarHBondContact O-N 2.88Å; T42-Q45 WeakPolarHBondContact OG1-CG 3.37Å; T42-Q45 PolarHBondContact OG1-N 2.97Å; T42-Q45 VanDerWaalsContact OG1-N 3.12Å; Q45-L49 VanDerWaalsContact O-CB 3.26Å; Q45-L49 WeakPolarHBondContact O-CB 3.33Å; Q45-L49 PolarHBondContact O-N 3.4Å
46R85.8Confident83.6Confident130 Ų13095 Ų9549%0.49144%0.438SS..Hα-helixtrans-63.9-44.1173.8-69.7178.3-176.5-152-8111.4P41 T42 L43 Y44 L49 F50P41-R46 HydrophobicContact CB-CG 3.94Å; P41-R46 HydrophobicContact CG-CG 3.76Å; P41-R46 PolarHBondContact O-NE 2.95Å; P41-R46 VanDerWaalsContact O-NE 3.14Å; T42-R46 WeakPolarHBondContact O-CG 3.34Å; T42-R46 PolarHBondContact O-N 3.37Å; L43-R46 PolarHBondContact O-N 3.46Å; Y44-R46 VanDerWaalsContact C-N 3.3Å; Y44-R46 PolarHBondContact O-N 3.36Å; R46-L49 PolarHBondContact O-N 3.15Å; R46-F50 WeakPolarHBondContact O-CB 3.27Å; R46-F50 PolarHBondContact O-N 3.18Å
47F88.3Confident84.6Confident114 Ų11489.4 Ų89.450%0.541%0.412SS..Hα-helixtrans-64-46.7177.3178.4-102000112L43 Y44 L49 F50 M51L43-F47 WeakPolarHBondContact O-CB 3.45Å; L43-F47 PolarHBondContact O-N 3Å; Y44-F47 PolarHBondContact O-N 2.97Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.41Å; F47-F50 WeakPolarHBondContact O-CB 3.48Å; F47-F50 PolarHBondContact O-N 3.03Å; F47-F50 VanDerWaalsContact O-N 3.16Å; F47-M51 HydrophobicContact CD1-CG 4.27Å; F47-M51 HydrophobicContact CE1-CG 3.81Å; F47-M51 HydrophobicContact CE1-SD 4.42Å; F47-M51 HydrophobicContact CE2-CE 4.01Å; F47-M51 HydrophobicContact CE2-CG 4.29Å; F47-M51 HydrophobicContact CE2-SD 4.35Å; F47-M51 HydrophobicContact CZ-CE 4.16Å; F47-M51 HydrophobicContact CZ-CG 3.81Å; F47-M51 HydrophobicContact CZ-SD 3.89Å; F47-M51 WeakPolarHBondContact O-CG 3.36Å; F47-M51 PolarHBondContact O-N 2.85Å
48I87Confident85.5Confident68 Ų6888.9 Ų88.935%0.34941%0.408SS..Hα-helixtrans-61.6-41.4175.8-65.5-60.8000111.2Y44 F50 M51 Y52Y44-I48 HydrophobicContact CD1-CG1 4.32Å; Y44-I48 HydrophobicContact CD2-CG1 4.22Å; Y44-I48 HydrophobicContact CE1-CG1 3.91Å; Y44-I48 HydrophobicContact CE2-CD1 3.9Å; Y44-I48 HydrophobicContact CE2-CG1 3.79Å; Y44-I48 HydrophobicContact CG-CG1 4.47Å; Y44-I48 WeakPolarHBondContact O-CG1 3.32Å; Y44-I48 PolarHBondContact O-N 3.32Å; I48-F50 VanDerWaalsContact C-N 3.32Å; I48-F50 PolarHBondContact O-N 2.82Å; I48-M51 PolarHBondContact O-N 3.13Å; I48-Y52 WeakPolarHBondContact O-CB 3.41Å; I48-Y52 PolarHBondContact O-N 3.35Å
49L86Confident86.5Confident57 Ų5785.8 Ų85.830%0.29840%0.403SS..Hα-helixtrans-62.9-41.6175.6-174.765.1000111.1Y16 Q45 R46 F47 Y52 T53Y16-L49 HydrophobicContact CD1-CD1 4.25Å; Y16-L49 HydrophobicContact CE1-CD1 4.19Å; Q45-L49 VanDerWaalsContact O-CB 3.26Å; Q45-L49 WeakPolarHBondContact O-CB 3.33Å; Q45-L49 PolarHBondContact O-N 3.4Å; R46-L49 PolarHBondContact O-N 3.15Å; F47-L49 VanDerWaalsContact C-N 3.31Å; F47-L49 PolarHBondContact O-N 3.41Å; L49-Y52 WeakPolarHBondContact O-CB 3.4Å; L49-Y52 PolarHBondContact O-N 3.4Å; L49-T53 HydrophobicContact CD1-CG2 4.39Å; L49-T53 HydrophobicContact CG-CG2 4.46Å; L49-T53 WeakPolarHBondContact O-CG2 3.13Å; L49-T53 PolarHBondContact O-N 3.34Å; L49-T53 PolarHBondContact O-OG1 3.49Å; L49-T53 VanDerWaalsContact O-OG1 3.11Å
50F89.8Confident87.6Confident119 Ų11976.8 Ų76.852%0.52237%0.369SS..Hα-helixtrans-61.7-44.8174.4170.1-107.9000112R46 F47 I48 Y52 T53 A54R46-F50 WeakPolarHBondContact O-CB 3.27Å; R46-F50 PolarHBondContact O-N 3.18Å; F47-F50 WeakPolarHBondContact O-CB 3.48Å; F47-F50 PolarHBondContact O-N 3.03Å; F47-F50 VanDerWaalsContact O-N 3.16Å; I48-F50 VanDerWaalsContact C-N 3.32Å; I48-F50 PolarHBondContact O-N 2.82Å; F50-Y52 VanDerWaalsContact C-N 3.32Å; F50-Y52 PolarHBondContact O-N 2.7Å; F50-T53 WeakPolarHBondContact CA-OG1 3.25Å; F50-T53 PolarHBondContact O-N 3.08Å; F50-T53 PolarHBondContact O-OG1 3.26Å; F50-T53 VanDerWaalsContact O-OG1 3.13Å; F50-A54 HydrophobicContact CE2-CB 4.29Å; F50-A54 HydrophobicContact CZ-CB 4.32Å; F50-A54 WeakPolarHBondContact O-CB 3.24Å; F50-A54 PolarHBondContact O-N 2.88Å
51M90.7Very high88.7Confident57 Ų5770 Ų7028%0.28135%0.354SS..Hα-helixtrans-59.3-44.7174.5-68.8-68.497.900111.6F47 I48 T53 A54 F55F47-M51 HydrophobicContact CD1-CG 4.27Å; F47-M51 HydrophobicContact CE1-CG 3.81Å; F47-M51 HydrophobicContact CE1-SD 4.42Å; F47-M51 HydrophobicContact CE2-CE 4.01Å; F47-M51 HydrophobicContact CE2-CG 4.29Å; F47-M51 HydrophobicContact CE2-SD 4.35Å; F47-M51 HydrophobicContact CZ-CE 4.16Å; F47-M51 HydrophobicContact CZ-CG 3.81Å; F47-M51 HydrophobicContact CZ-SD 3.89Å; F47-M51 WeakPolarHBondContact O-CG 3.36Å; F47-M51 PolarHBondContact O-N 2.85Å; I48-M51 PolarHBondContact O-N 3.13Å; M51-T53 PolarHBondContact O-N 3.34Å; M51-A54 PolarHBondContact O-N 2.99Å; M51-F55 HydrophobicContact CE-CD2 4.47Å; M51-F55 HydrophobicContact CE-CE2 3.76Å; M51-F55 WeakPolarHBondContact O-CD2 3.35Å; M51-F55 PolarHBondContact O-N 3.42Å; M51-F55 HydrophobicContact SD-CD2 4.16Å; M51-F55 HydrophobicContact SD-CE2 3.76Å
52Y89.4Confident89.6Confident50 Ų5075.9 Ų75.920%0.19638%0.378CS..Hα-helixtrans-61.8-43.3176.8-167-84.2000111.9R17 I48 L49 F50 L56 Y60R17-Y52 HydrophobicContact CB-CE1 4.03Å; R17-Y52 HydrophobicContact CG-CE1 4.47Å; I48-Y52 WeakPolarHBondContact O-CB 3.41Å; I48-Y52 PolarHBondContact O-N 3.35Å; L49-Y52 WeakPolarHBondContact O-CB 3.4Å; L49-Y52 PolarHBondContact O-N 3.4Å; F50-Y52 VanDerWaalsContact C-N 3.32Å; F50-Y52 PolarHBondContact O-N 2.7Å; Y52-L56 HydrophobicContact CD2-CD1 3.44Å; Y52-L56 VanDerWaalsContact CD2-CD1 3.44Å; Y52-L56 HydrophobicContact CE2-CD1 3.56Å; Y52-L56 HydrophobicContact CG-CD1 4.03Å; Y52-L56 WeakPolarHBondContact O-CA 3.33Å; Y52-L56 VanDerWaalsContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CB 3.29Å; Y52-L56 PolarHBondContact O-N 3.42Å; Y52-Y60 AromaticContact CE2-CD1 4Å; Y52-Y60 HydrophobicContact CE2-CD1 4Å; Y52-Y60 AromaticContact CZ-CD1 3.85Å; Y52-Y60 WeakPolarHBondContact OH-CD1 3.24Å; Y52-Y60 PolarHBondContact OH-O 2.96Å
53T89.5Confident90Very high35 Ų3572.6 Ų72.622%0.21536%0.358CS..Hα-helixtrans-78-30-178.658.10000113.4Y16 L49 F50 M51 K208Y16-T53 HydrophobicContact CE1-CG2 4.25Å; L49-T53 HydrophobicContact CD1-CG2 4.39Å; L49-T53 HydrophobicContact CG-CG2 4.46Å; L49-T53 WeakPolarHBondContact O-CG2 3.13Å; L49-T53 PolarHBondContact O-N 3.34Å; L49-T53 PolarHBondContact O-OG1 3.49Å; L49-T53 VanDerWaalsContact O-OG1 3.11Å; F50-T53 WeakPolarHBondContact CA-OG1 3.25Å; F50-T53 PolarHBondContact O-N 3.08Å; F50-T53 PolarHBondContact O-OG1 3.26Å; F50-T53 VanDerWaalsContact O-OG1 3.13Å; M51-T53 PolarHBondContact O-N 3.34Å; T53-K208 WeakPolarHBondContact O-CE 3.26Å; T53-K208 PolarHBondContact O-NZ 3.06Å
54A92.8Very high90.5Very high24 Ų2465.7 Ų65.720%0.19832%0.322CS..Hα-helixtrans-70.7-45.6177.400000111F50 M51 K208F50-A54 HydrophobicContact CE2-CB 4.29Å; F50-A54 HydrophobicContact CZ-CB 4.32Å; F50-A54 WeakPolarHBondContact O-CB 3.24Å; F50-A54 PolarHBondContact O-N 2.88Å; M51-A54 PolarHBondContact O-N 2.99Å; A54-K208 VanDerWaalsContact O-CD 3.28Å; A54-K208 WeakPolarHBondContact O-CD 3.44Å; A54-K208 PolarHBondContact O-NZ 3.07Å
55F95.2Very high91.1Very high42 Ų4258.7 Ų58.718%0.18430%0.296CS..Hα-helixtrans-109.1-17.9-168.7-60.7-69.8000115.1M51 A211 Q212 L215M51-F55 HydrophobicContact CE-CD2 4.47Å; M51-F55 HydrophobicContact CE-CE2 3.76Å; M51-F55 WeakPolarHBondContact O-CD2 3.35Å; M51-F55 PolarHBondContact O-N 3.42Å; M51-F55 HydrophobicContact SD-CD2 4.16Å; M51-F55 HydrophobicContact SD-CE2 3.76Å; F55-A211 HydrophobicContact CD1-CB 4.21Å; F55-A211 HydrophobicContact CE1-CB 4.33Å; F55-Q212 HydrophobicContact CB-CG 4.11Å; F55-Q212 HydrophobicContact CD1-CG 4.12Å; F55-Q212 PolarHBondContact O-NE2 3.17Å; F55-L215 HydrophobicContact CD1-CD2 4.43Å; F55-L215 HydrophobicContact CE1-CB 3.87Å; F55-L215 HydrophobicContact CE1-CD2 3.84Å; F55-L215 HydrophobicContact CE1-CG 4.38Å; F55-L215 HydrophobicContact CE2-CD2 4.07Å; F55-L215 HydrophobicContact CZ-CB 4.22Å; F55-L215 HydrophobicContact CZ-CD1 4.4Å; F55-L215 HydrophobicContact CZ-CD2 3.65Å; F55-L215 HydrophobicContact CZ-CG 4.3Å
56L95.4Very high91.6Very high19 Ų1963.8 Ų63.810%0.09932%0.317CS..SBendtrans-109.3143.1-179.6-60.2171.3000112.7R17 Y52 Y60 Y68 W69 K208R17-L56 PolarHBondContact NH1-O 3.01Å; R17-L56 VanDerWaalsContact NH1-O 3.12Å; Y52-L56 HydrophobicContact CD2-CD1 3.44Å; Y52-L56 VanDerWaalsContact CD2-CD1 3.44Å; Y52-L56 HydrophobicContact CE2-CD1 3.56Å; Y52-L56 HydrophobicContact CG-CD1 4.03Å; Y52-L56 WeakPolarHBondContact O-CA 3.33Å; Y52-L56 VanDerWaalsContact O-CB 3.26Å; Y52-L56 WeakPolarHBondContact O-CB 3.29Å; Y52-L56 PolarHBondContact O-N 3.42Å; L56-Y60 HydrophobicContact CB-CG 4.3Å; L56-Y60 HydrophobicContact CD1-CD1 4.02Å; L56-Y60 HydrophobicContact CD1-CE1 4.21Å; L56-Y60 HydrophobicContact CD1-CG 4.41Å; L56-Y60 HydrophobicContact CD2-CD2 4.44Å; L56-Y68 HydrophobicContact CD2-CE1 4.06Å; L56-W69 HydrophobicContact CD2-CZ3 4.43Å; L56-K208 WeakPolarHBondContact O-CE 3.44Å
57P94.6Very high92.1Very high0 Ų057.7 Ų57.70%029%0.294CS..  trans-58153179.2-28.937.9000113.1G59 Y60 V64 Y68 D204 V205 K208P57-G59 PolarHBondContact O-N 3.08Å; P57-Y60 WeakPolarHBondContact O-CB 3.33Å; P57-Y60 PolarHBondContact O-N 3.47Å; P57-Y60 VanDerWaalsContact O-N 3.13Å; P57-V64 HydrophobicContact CB-CG1 4.09Å; P57-V64 HydrophobicContact CG-CG1 3.86Å; P57-Y68 HydrophobicContact CG-CE2 4.41Å; P57-D204 VanDerWaalsContact CA-OD2 3.3Å; P57-D204 WeakPolarHBondContact CA-OD2 3.26Å; P57-D204 WeakPolarHBondContact CB-OD2 3.45Å; P57-V205 HydrophobicContact CB-CG2 4.29Å; P57-V205 HydrophobicContact CG-CG2 4.1Å; P57-K208 HydrophobicContact CG-CB 4.19Å; P57-K208 HydrophobicContact CG-CG 4.04Å
58V90.7Very high92.5Very high83 Ų8352.3 Ų52.350%0.50327%0.271SS..THydrogen-bonded Turntrans-58.6129.4170.9-178.20000108.5Y60 S63 D204V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.33Å; V58-S63 WeakPolarHBondContact O-CB 3.44Å; V58-S63 PolarHBondContact O-OG 3.27Å; V58-D204 WeakPolarHBondContact CG2-OD2 3.43Å; V58-D204 PolarHBondContact N-OD2 2.91Å
59G89.2Confident93Very high35 Ų3555.2 Ų55.236%0.36128%0.277SS..THydrogen-bonded Turntrans799.2-178.900000114.8P57 E62 S63P57-G59 PolarHBondContact O-N 3.08Å; G59-E62 PolarHBondContact O-N 2.88Å; G59-S63 PolarHBondContact O-N 2.96Å; G59-S63 PolarHBondContact O-OG 3.24Å
60Y92Very high93.5Very high46 Ų4656.4 Ų56.418%0.1828%0.284CS..THydrogen-bonded Turntrans-53.7139169.6-178.3-89.2000110.1Y52 L56 P57 V58 S63 V64 Y68 W69Y52-Y60 AromaticContact CE2-CD1 4Å; Y52-Y60 HydrophobicContact CE2-CD1 4Å; Y52-Y60 AromaticContact CZ-CD1 3.85Å; Y52-Y60 WeakPolarHBondContact OH-CD1 3.24Å; Y52-Y60 PolarHBondContact OH-O 2.96Å; L56-Y60 HydrophobicContact CB-CG 4.3Å; L56-Y60 HydrophobicContact CD1-CD1 4.02Å; L56-Y60 HydrophobicContact CD1-CE1 4.21Å; L56-Y60 HydrophobicContact CD1-CG 4.41Å; L56-Y60 HydrophobicContact CD2-CD2 4.44Å; P57-Y60 WeakPolarHBondContact O-CB 3.33Å; P57-Y60 PolarHBondContact O-N 3.47Å; P57-Y60 VanDerWaalsContact O-N 3.13Å; V58-Y60 VanDerWaalsContact C-N 3.31Å; V58-Y60 PolarHBondContact O-N 3.33Å; Y60-S63 PolarHBondContact N-OG 3.48Å; Y60-V64 HydrophobicContact CD2-CG2 3.59Å; Y60-V64 HydrophobicContact CE2-CG2 3.88Å; Y60-Y68 HydrophobicContact CD2-CD1 4.23Å; Y60-Y68 HydrophobicContact CD2-CE1 4.34Å; Y60-Y68 AromaticContact CE2-CD1 3.76Å; Y60-Y68 HydrophobicContact CE2-CD1 3.76Å; Y60-Y68 HydrophobicContact CE2-CE1 4.16Å; Y60-W69 WeakPolarHBondContact OH-CB 3.34Å
61P92.6Very high93.9Very high79 Ų7950.8 Ų50.851%0.51326%0.259SS..THydrogen-bonded Turncis-89.5-2.62.435.9-36.1000115.3
62E92.6Very high94.2Very high168 Ų16848.3 Ų48.379%0.78525%0.247SC*.THydrogen-bonded Turntrans-77.7-25.3-172.2-64.3179.3175.600113.3G59 V64G59-E62 PolarHBondContact O-N 2.88Å; E62-V64 PolarHBondContact O-N 3.12Å
63S94.4Very high94.6Very high6 Ų648 Ų484%0.04225%0.25CS..THydrogen-bonded Turntrans-79.3-3.6-179.967.90000114.8V58 G59 Y60 L198 N201V58-S63 WeakPolarHBondContact O-CB 3.44Å; V58-S63 PolarHBondContact O-OG 3.27Å; G59-S63 PolarHBondContact O-N 2.96Å; G59-S63 PolarHBondContact O-OG 3.24Å; Y60-S63 PolarHBondContact N-OG 3.48Å; S63-L198 PolarHBondContact O-N 3.15Å; S63-N201 WeakPolarHBondContact CB-ND2 3.35Å; S63-N201 PolarHBondContact O-ND2 3.27Å; S63-N201 PolarHBondContact O-OD1 2.77Å
64V96.7Very high95Very high5 Ų550.1 Ų50.13%0.0325%0.254CS..BIsolated β-bridgetrans-131.6161.5-179.9-630000112.4P57 Y60 E62 Y68 Q196 L198 V205P57-V64 HydrophobicContact CB-CG1 4.09Å; P57-V64 HydrophobicContact CG-CG1 3.86Å; Y60-V64 HydrophobicContact CD2-CG2 3.59Å; Y60-V64 HydrophobicContact CE2-CG2 3.88Å; E62-V64 PolarHBondContact O-N 3.12Å; V64-Y68 HydrophobicContact CB-CD2 4.18Å; V64-Y68 HydrophobicContact CB-CG 4.05Å; V64-Y68 HydrophobicContact CG1-CD2 4.16Å; V64-Y68 HydrophobicContact CG1-CE2 4.48Å; V64-Y68 HydrophobicContact CG1-CG 4.4Å; V64-Y68 HydrophobicContact CG2-CD1 4.03Å; V64-Y68 HydrophobicContact CG2-CD2 4.38Å; V64-Y68 HydrophobicContact CG2-CG 3.8Å; V64-Q196 WeakPolarHBondContact CA-O 3.39Å; V64-Q196 WeakPolarHBondContact CB-O 3.17Å; V64-L198 VanDerWaalsContact C-CD1 3.48Å; V64-L198 WeakPolarHBondContact O-CD1 3.34Å; V64-V205 HydrophobicContact CG1-CG2 3.88Å
65T95.9Very high95.3Very high17 Ų1749.7 Ų49.710%0.10425%0.249CC..  trans-65.6152.617554.40000112.5D67 Y68 H195 Q196 L198T65-D67 WeakPolarHBondContact CB-OD1 3.43Å; T65-D67 PolarHBondContact O-N 3.06Å; T65-D67 VanDerWaalsContact O-N 3.14Å; T65-D67 PolarHBondContact OG1-OD1 3.11Å; T65-Y68 WeakPolarHBondContact O-CB 3.46Å; T65-Y68 PolarHBondContact O-N 3.49Å; T65-H195 WeakPolarHBondContact CG2-O 3.4Å; T65-Q196 PolarHBondContact N-O 2.8Å; T65-Q196 WeakPolarHBondContact OG1-CA 3.29Å; T65-L198 HydrophobicContact CG2-CD1 4.3Å; T65-L198 HydrophobicContact CG2-CD2 3.75Å; T65-L198 HydrophobicContact CG2-CG 4.03Å
66K95Very high95.4Very high185 Ų18549.3 Ų49.380%0.80425%0.251SS*.THydrogen-bonded Turntrans-65.5-17.8-175.1-64.4-174.4178.3-175.70114.6
67D96.5Very high95.5Very high3 Ų353.9 Ų53.92%0.01627%0.27CS..THydrogen-bonded Turntrans-84.2-14.5175.453.6-10.9000113.4T65 W69 N70 Y71 H195 A259 L260 R261T65-D67 WeakPolarHBondContact CB-OD1 3.43Å; T65-D67 PolarHBondContact O-N 3.06Å; T65-D67 VanDerWaalsContact O-N 3.14Å; T65-D67 PolarHBondContact OG1-OD1 3.11Å; D67-W69 PolarHBondContact O-N 3.38Å; D67-N70 PolarHBondContact O-N 3.42Å; D67-Y71 WeakPolarHBondContact O-CB 3.45Å; D67-Y71 PolarHBondContact O-N 3.4Å; D67-H195 IonicContact OD1-NE2 3.1Å; D67-H195 IonicContact OD2-CD2 2.87Å; D67-H195 IonicContact OD2-CE1 2.71Å; D67-H195 IonicContact OD2-NE2 3.75Å; D67-H195 PolarHBondContact OD2-NE2 3.33Å; D67-A259 WeakPolarHBondContact CB-O 3.47Å; D67-L260 WeakPolarHBondContact OD2-CA 3.22Å; D67-R261 HydrophobicContact CB-CB 4.44Å; D67-R261 HydrophobicContact CB-CG 4.29Å; D67-R261 PolarHBondContact OD2-N 3Å
68Y97.5Very high95.7Very high1 Ų154.8 Ų54.80%0.00428%0.275CS..Hα-helixtrans-47.7-57.6-176.9176-91000112.6L56 P57 Y60 V64 T65 N70 Y71 Q72 Q196 V205 Q212L56-Y68 HydrophobicContact CD2-CE1 4.06Å; P57-Y68 HydrophobicContact CG-CE2 4.41Å; Y60-Y68 HydrophobicContact CD2-CD1 4.23Å; Y60-Y68 HydrophobicContact CD2-CE1 4.34Å; Y60-Y68 AromaticContact CE2-CD1 3.76Å; Y60-Y68 HydrophobicContact CE2-CD1 3.76Å; Y60-Y68 HydrophobicContact CE2-CE1 4.16Å; V64-Y68 HydrophobicContact CB-CD2 4.18Å; V64-Y68 HydrophobicContact CB-CG 4.05Å; V64-Y68 HydrophobicContact CG1-CD2 4.16Å; V64-Y68 HydrophobicContact CG1-CE2 4.48Å; V64-Y68 HydrophobicContact CG1-CG 4.4Å; V64-Y68 HydrophobicContact CG2-CD1 4.03Å; V64-Y68 HydrophobicContact CG2-CD2 4.38Å; V64-Y68 HydrophobicContact CG2-CG 3.8Å; T65-Y68 WeakPolarHBondContact O-CB 3.46Å; T65-Y68 PolarHBondContact O-N 3.49Å; Y68-N70 PolarHBondContact O-N 3.3Å; Y68-Y71 PolarHBondContact O-N 2.82Å; Y68-Q72 HydrophobicContact CD1-CG 4.2Å; Y68-Q72 HydrophobicContact CD2-CG 4.21Å; Y68-Q72 HydrophobicContact CE1-CG 3.9Å; Y68-Q72 HydrophobicContact CE2-CG 3.87Å; Y68-Q72 HydrophobicContact CG-CG 4.36Å; Y68-Q72 WeakPolarHBondContact O-CB 3.25Å; Y68-Q72 VanDerWaalsContact O-CG 3.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.47Å; Y68-Q72 PolarHBondContact O-N 3.36Å; Y68-Q196 HydrophobicContact CD2-CB 4.18Å; Y68-Q196 HydrophobicContact CD2-CG 4.12Å; Y68-V205 HydrophobicContact CE2-CG1 4.14Å; Y68-Q212 PolarHBondContact OH-NE2 2.98Å
69W96.3Very high96Very high129 Ų12951.3 Ų51.349%0.48926%0.255SS..Hα-helixtrans-62.4-46.1-174.5175.9-106.4000112.8L56 Y60 D67 Y71 Q72 V73L56-W69 HydrophobicContact CD2-CZ3 4.43Å; Y60-W69 WeakPolarHBondContact OH-CB 3.34Å; D67-W69 PolarHBondContact O-N 3.38Å; W69-Y71 VanDerWaalsContact C-N 3.32Å; W69-Y71 PolarHBondContact O-N 3Å; W69-Q72 PolarHBondContact O-N 2.97Å; W69-V73 HydrophobicContact CD2-CG2 4.12Å; W69-V73 HydrophobicContact CH2-CG2 4.22Å; W69-V73 HydrophobicContact CZ2-CG2 3.74Å; W69-V73 WeakPolarHBondContact O-CG2 3.47Å; W69-V73 PolarHBondContact O-N 3.49Å; W69-V73 VanDerWaalsContact O-N 3.09Å
70N97.2Very high96.4Very high81 Ų8151.8 Ų51.843%0.43325%0.247SC..Hα-helixtrans-65.1-39.7-179.4-72.3-26000111.2D67 Y68 W74 A259D67-N70 PolarHBondContact O-N 3.42Å; Y68-N70 PolarHBondContact O-N 3.3Å; N70-W74 PolarHBondContact O-N 3.05Å; N70-A259 HydrophobicContact CB-CB 3.95Å
71Y97.9Very high96.7Very high1 Ų150 Ų500%0.00424%0.241CC..Hα-helixtrans-60.8-54.1173.4169.4-88.3000110.7D67 Y68 W69 V73 W74 D75 R143 I192 Q196 A256 L260D67-Y71 WeakPolarHBondContact O-CB 3.45Å; D67-Y71 PolarHBondContact O-N 3.4Å; Y68-Y71 PolarHBondContact O-N 2.82Å; W69-Y71 VanDerWaalsContact C-N 3.32Å; W69-Y71 PolarHBondContact O-N 3Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 3.37Å; Y71-W74 PolarHBondContact O-N 3.33Å; Y71-W74 VanDerWaalsContact O-N 3.08Å; Y71-D75 HydrophobicContact CD1-CB 4.33Å; Y71-D75 HydrophobicContact CE1-CB 3.84Å; Y71-D75 WeakPolarHBondContact CE1-OD2 3.35Å; Y71-D75 HydrophobicContact CE2-CB 4.5Å; Y71-D75 VanDerWaalsContact CZ-CG 3.5Å; Y71-D75 WeakPolarHBondContact O-CB 3.29Å; Y71-D75 PolarHBondContact O-N 3.01Å; Y71-D75 PolarHBondContact OH-OD1 2.79Å; Y71-D75 VanDerWaalsContact OH-OD1 3.12Å; Y71-D75 PolarHBondContact OH-OD2 3.12Å; Y71-R143 PolarHBondContact OH-NH1 3.28Å; Y71-I192 HydrophobicContact CD1-CG2 4.47Å; Y71-I192 HydrophobicContact CE1-CG2 4.08Å; Y71-I192 HydrophobicContact CE2-CD1 3.82Å; Y71-I192 HydrophobicContact CE2-CG2 4.32Å; Y71-Q196 VanDerWaalsContact CD1-NE2 3.32Å; Y71-A256 HydrophobicContact CD2-CB 3.98Å; Y71-A256 HydrophobicContact CE2-CB 4.12Å; Y71-L260 HydrophobicContact CD2-CD1 3.97Å; Y71-L260 HydrophobicContact CD2-CD2 3.56Å; Y71-L260 HydrophobicContact CD2-CG 3.69Å; Y71-L260 HydrophobicContact CE2-CD1 4.04Å; Y71-L260 HydrophobicContact CE2-CD2 4.21Å; Y71-L260 HydrophobicContact CE2-CG 4.28Å; Y71-L260 HydrophobicContact CG-CD2 3.89Å; Y71-L260 HydrophobicContact CG-CG 4.45Å
72Q97.6Very high97Very high5 Ų547.4 Ų47.42%0.02323%0.225CC..Hα-helixtrans-60.4-35.9-173.9-72.2-60-15.100113.4Y68 W69 S76 D209Y68-Q72 HydrophobicContact CD1-CG 4.2Å; Y68-Q72 HydrophobicContact CD2-CG 4.21Å; Y68-Q72 HydrophobicContact CE1-CG 3.9Å; Y68-Q72 HydrophobicContact CE2-CG 3.87Å; Y68-Q72 HydrophobicContact CG-CG 4.36Å; Y68-Q72 WeakPolarHBondContact O-CB 3.25Å; Y68-Q72 VanDerWaalsContact O-CG 3.29Å; Y68-Q72 WeakPolarHBondContact O-CG 3.47Å; Y68-Q72 PolarHBondContact O-N 3.36Å; W69-Q72 PolarHBondContact O-N 2.97Å; Q72-S76 VanDerWaalsContact O-CB 3.26Å; Q72-S76 WeakPolarHBondContact O-CB 3.12Å; Q72-S76 PolarHBondContact O-N 2.86Å; Q72-S76 PolarHBondContact O-OG 3.34Å; Q72-D209 PolarHBondContact NE2-OD1 3.13Å; Q72-D209 PolarHBondContact OE1-OD1 3.31Å
73V97.7Very high97.2Very high44 Ų4440.8 Ų40.827%0.26720%0.197SC..Hα-helixtrans-61.9-49.7174.9170.70000111.2W69 Y71 S76 F77W69-V73 HydrophobicContact CD2-CG2 4.12Å; W69-V73 HydrophobicContact CH2-CG2 4.22Å; W69-V73 HydrophobicContact CZ2-CG2 3.74Å; W69-V73 WeakPolarHBondContact O-CG2 3.47Å; W69-V73 PolarHBondContact O-N 3.49Å; W69-V73 VanDerWaalsContact O-N 3.09Å; Y71-V73 VanDerWaalsContact C-N 3.29Å; Y71-V73 PolarHBondContact O-N 3.37Å; V73-S76 PolarHBondContact O-N 3.07Å; V73-F77 HydrophobicContact CG1-CD2 4.16Å; V73-F77 HydrophobicContact CG1-CE2 3.85Å; V73-F77 WeakPolarHBondContact O-CD2 3.44Å; V73-F77 PolarHBondContact O-N 3.34Å
74W98.2Very high97.4Very high80 Ų8040.5 Ų40.530%0.30320%0.195SC..Hα-helixtrans-71.6-37-179.2-69.1118.3000112.5N70 Y71 S76 F77 Q78 C252 K255 A256N70-W74 PolarHBondContact O-N 3.05Å; Y71-W74 PolarHBondContact O-N 3.33Å; Y71-W74 VanDerWaalsContact O-N 3.08Å; W74-S76 VanDerWaalsContact C-N 3.31Å; W74-S76 PolarHBondContact O-N 3.42Å; W74-F77 PolarHBondContact O-N 3.02Å; W74-Q78 WeakPolarHBondContact O-CB 3.37Å; W74-Q78 PolarHBondContact O-N 3.41Å; W74-C252 HydrophobicContact CE3-CB 4.49Å; W74-K255 HydrophobicContact CB-CB 4.32Å; W74-K255 HydrophobicContact CD2-CB 3.57Å; W74-K255 HydrophobicContact CD2-CD 3.81Å; W74-K255 HydrophobicContact CD2-CG 4.37Å; W74-K255 HydrophobicContact CE3-CB 4.06Å; W74-K255 HydrophobicContact CE3-CD 3.71Å; W74-K255 HydrophobicContact CG-CB 3.66Å; W74-K255 HydrophobicContact CH2-CD 3.47Å; W74-K255 VanDerWaalsContact CH2-CD 3.47Å; W74-K255 HydrophobicContact CZ2-CD 3.53Å; W74-K255 HydrophobicContact CZ3-CD 3.54Å; W74-A256 HydrophobicContact CB-CB 3.67Å
75D97.5Very high97.5Very high15 Ų1540.3 Ų40.38%0.0819%0.194CC..Hα-helixtrans-62.4-40.2175.4-155.448.7000110.8Y71 F77 Q78 A79 R143Y71-D75 HydrophobicContact CD1-CB 4.33Å; Y71-D75 HydrophobicContact CE1-CB 3.84Å; Y71-D75 WeakPolarHBondContact CE1-OD2 3.35Å; Y71-D75 HydrophobicContact CE2-CB 4.5Å; Y71-D75 VanDerWaalsContact CZ-CG 3.5Å; Y71-D75 WeakPolarHBondContact O-CB 3.29Å; Y71-D75 PolarHBondContact O-N 3.01Å; Y71-D75 PolarHBondContact OH-OD1 2.79Å; Y71-D75 VanDerWaalsContact OH-OD1 3.12Å; Y71-D75 PolarHBondContact OH-OD2 3.12Å; D75-F77 PolarHBondContact O-N 3.47Å; D75-Q78 WeakPolarHBondContact O-CB 3.27Å; D75-Q78 PolarHBondContact O-N 3.44Å; D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.15Å; D75-R143 IonicContact OD1-NH1 2.88Å
76S97.6Very high97.5Very high34 Ų3440.4 Ų40.424%0.23820%0.199CC..Hα-helixtrans-60.8-44.6173.6-65.70000112.6Q72 V73 W74 A79 F80 V216Q72-S76 VanDerWaalsContact O-CB 3.26Å; Q72-S76 WeakPolarHBondContact O-CB 3.12Å; Q72-S76 PolarHBondContact O-N 2.86Å; Q72-S76 PolarHBondContact O-OG 3.34Å; V73-S76 PolarHBondContact O-N 3.07Å; W74-S76 VanDerWaalsContact C-N 3.31Å; W74-S76 PolarHBondContact O-N 3.42Å; S76-A79 PolarHBondContact O-N 3.31Å; S76-F80 PolarHBondContact O-N 3.14Å; S76-V216 VanDerWaalsContact O-CG1 3.22Å; S76-V216 WeakPolarHBondContact O-CG1 3.35Å
77F98.3Very high97.7Very high114 Ų11432.5 Ų32.550%0.517%0.168SC..Hα-helixtrans-67.7-37176.1-74.5-66000112.4V73 W74 D75 F80 C81 C252V73-F77 HydrophobicContact CG1-CD2 4.16Å; V73-F77 HydrophobicContact CG1-CE2 3.85Å; V73-F77 WeakPolarHBondContact O-CD2 3.44Å; V73-F77 PolarHBondContact O-N 3.34Å; W74-F77 PolarHBondContact O-N 3.02Å; D75-F77 PolarHBondContact O-N 3.47Å; F77-F80 PolarHBondContact O-N 3.4Å; F77-C81 PolarHBondContact O-N 3.03Å; F77-C81 VanDerWaalsContact O-N 3.1Å; F77-C81 PolarHBondContact O-SG 2.8Å; F77-C252 HydrophobicContact CB-CB 4.18Å
78Q97.5Very high97.8Very high19 Ų1932.5 Ų32.59%0.08917%0.168CC..Hα-helixtrans-59.9-52.7173.9175.7-78.5-45.600110.2W74 D75 F80 C81 S82 D147 H249 C252 N253W74-Q78 WeakPolarHBondContact O-CB 3.37Å; W74-Q78 PolarHBondContact O-N 3.41Å; D75-Q78 WeakPolarHBondContact O-CB 3.27Å; D75-Q78 PolarHBondContact O-N 3.44Å; Q78-F80 VanDerWaalsContact C-N 3.31Å; Q78-F80 PolarHBondContact O-N 3.45Å; Q78-C81 PolarHBondContact O-N 3.04Å; Q78-C81 VanDerWaalsContact O-N 3.09Å; Q78-S82 PolarHBondContact O-N 3.37Å; Q78-D147 WeakPolarHBondContact CG-OD2 3.43Å; Q78-D147 PolarHBondContact NE2-OD2 2.86Å; Q78-H249 PolarHBondContact NE2-CD2 3.25Å; Q78-H249 PolarHBondContact NE2-NE2 3.36Å; Q78-H249 PolarHBondContact O-CD2 2.63Å; Q78-C252 HydrophobicContact CB-CB 3.81Å; Q78-N253 HydrophobicContact CG-CB 3.91Å
79A97.4Very high97.7Very high11 Ų1132.5 Ų32.59%0.09117%0.168CC..Hα-helixtrans-58.4-40.8179.100000112.4D75 S76 S82 S83 V216D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.15Å; S76-A79 PolarHBondContact O-N 3.31Å; A79-S82 PolarHBondContact O-N 3.34Å; A79-S83 WeakPolarHBondContact O-CB 3.37Å; A79-S83 PolarHBondContact O-N 2.83Å; A79-V216 HydrophobicContact CB-CG1 3.95Å
80F98.4Very high97.7Very high45 Ų4530.2 Ų30.220%0.19716%0.164CC..Hα-helixtrans-57.8-50.7173.3-179.5-95.2000111.8S76 F77 Q78 S82 S83 V84 V216 V219 A220 W223 F245S76-F80 PolarHBondContact O-N 3.14Å; F77-F80 PolarHBondContact O-N 3.4Å; Q78-F80 VanDerWaalsContact C-N 3.31Å; Q78-F80 PolarHBondContact O-N 3.45Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.02Å; F80-S83 PolarHBondContact O-N 3.28Å; F80-V84 HydrophobicContact CD1-CG2 4.28Å; F80-V84 HydrophobicContact CE1-CG2 3.89Å; F80-V84 HydrophobicContact CE2-CG2 4.44Å; F80-V84 HydrophobicContact CZ-CG2 3.97Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 3.44Å; F80-V216 HydrophobicContact CB-CG1 3.8Å; F80-V219 HydrophobicContact CD2-CG1 4.48Å; F80-V219 HydrophobicContact CE2-CG1 4.13Å; F80-A220 HydrophobicContact CD2-CB 3.75Å; F80-A220 HydrophobicContact CE2-CB 3.98Å; F80-W223 HydrophobicContact CE2-CB 4.33Å; F80-W223 HydrophobicContact CZ-CB 4.27Å; F80-W223 HydrophobicContact CZ-CD2 4.28Å; F80-W223 HydrophobicContact CZ-CG 4.05Å; F80-F245 HydrophobicContact CD1-CE1 4.22Å; F80-F245 AromaticContact CE1-CE1 3.78Å; F80-F245 HydrophobicContact CE1-CE1 3.78Å; F80-F245 HydrophobicContact CE1-CZ 4.27Å
81C98.4Very high97.7Very high7 Ų729.6 Ų29.65%0.04716%0.158CC..Hα-helixtrans-62.9-40.2-179.4-62.30000112.1F77 Q78 V84 T85 F245 H249F77-C81 PolarHBondContact O-N 3.03Å; F77-C81 VanDerWaalsContact O-N 3.1Å; F77-C81 PolarHBondContact O-SG 2.8Å; Q78-C81 PolarHBondContact O-N 3.04Å; Q78-C81 VanDerWaalsContact O-N 3.09Å; C81-V84 PolarHBondContact O-N 2.93Å; C81-T85 WeakPolarHBondContact O-CG2 3.35Å; C81-T85 PolarHBondContact O-N 3.15Å; C81-T85 PolarHBondContact O-OG1 3.09Å; C81-F245 HydrophobicContact CB-CD1 4.04Å; C81-H249 HydrophobicContact CB-CB 3.7Å
82S97.5Very high97.7Very high25 Ų2529.9 Ų29.918%0.17516%0.161CC..Hα-helixtrans-62.3-43.6175.5-172.60000111.6Q78 A79 F80 V84 T85 G86 N150Q78-S82 PolarHBondContact O-N 3.37Å; A79-S82 PolarHBondContact O-N 3.34Å; F80-S82 VanDerWaalsContact C-N 3.34Å; F80-S82 PolarHBondContact O-N 3.02Å; S82-V84 PolarHBondContact O-N 2.88Å; S82-T85 PolarHBondContact O-N 3.28Å; S82-T85 PolarHBondContact O-OG1 2.92Å; S82-G86 PolarHBondContact O-N 3.47Å; S82-N150 PolarHBondContact OG-ND2 2.88Å
83S98Very high97.6Very high30 Ų3029.9 Ų29.921%0.2116%0.161CC..Hα-helixtrans-64.1-39.3177.7-171.80000112.7A79 F80 A87 A220 N224A79-S83 WeakPolarHBondContact O-CB 3.37Å; A79-S83 PolarHBondContact O-N 2.83Å; F80-S83 PolarHBondContact O-N 3.28Å; S83-A87 PolarHBondContact O-N 3.27Å; S83-A220 VanDerWaalsContact OG-CB 3.29Å; S83-A220 WeakPolarHBondContact OG-CB 3.27Å; S83-N224 PolarHBondContact O-ND2 2.71Å
84V98.2Very high97.5Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-66.5-48.6176.5175.20000111.8F80 C81 S82 A87 L88 M227 F245F80-V84 HydrophobicContact CD1-CG2 4.28Å; F80-V84 HydrophobicContact CE1-CG2 3.89Å; F80-V84 HydrophobicContact CE2-CG2 4.44Å; F80-V84 HydrophobicContact CZ-CG2 3.97Å; F80-V84 WeakPolarHBondContact O-CG2 3.49Å; F80-V84 PolarHBondContact O-N 3.44Å; C81-V84 PolarHBondContact O-N 2.93Å; S82-V84 PolarHBondContact O-N 2.88Å; V84-A87 PolarHBondContact O-N 2.94Å; V84-L88 PolarHBondContact O-N 3.4Å; V84-M227 HydrophobicContact CG1-CE 3.88Å; V84-F245 HydrophobicContact CB-CD1 4.38Å; V84-F245 HydrophobicContact CB-CG 4.39Å; V84-F245 HydrophobicContact CG1-CD1 4.36Å; V84-F245 HydrophobicContact CG1-CD2 3.69Å; V84-F245 HydrophobicContact CG1-CE1 4.41Å; V84-F245 HydrophobicContact CG1-CE2 3.73Å; V84-F245 HydrophobicContact CG1-CG 4.03Å; V84-F245 HydrophobicContact CG1-CZ 4.1Å; V84-F245 HydrophobicContact CG2-CE1 4.44Å
85T98.1Very high97.3Very high0 Ų034.9 Ų34.90%018%0.179CC..Hα-helixtrans-64.9-40.3177.951.80000111.6C81 S82 A87 L88 G89 T154 F245C81-T85 WeakPolarHBondContact O-CG2 3.35Å; C81-T85 PolarHBondContact O-N 3.15Å; C81-T85 PolarHBondContact O-OG1 3.09Å; S82-T85 PolarHBondContact O-N 3.28Å; S82-T85 PolarHBondContact O-OG1 2.92Å; T85-A87 VanDerWaalsContact C-N 3.32Å; T85-A87 PolarHBondContact O-N 3.29Å; T85-L88 WeakPolarHBondContact O-CB 3.38Å; T85-L88 PolarHBondContact O-N 2.97Å; T85-L88 VanDerWaalsContact O-N 3.13Å; T85-G89 PolarHBondContact O-N 2.82Å; T85-T154 VanDerWaalsContact O-CG2 3.25Å; T85-T154 WeakPolarHBondContact O-CG2 3.32Å; T85-F245 HydrophobicContact CG2-CB 3.48Å; T85-F245 VanDerWaalsContact CG2-CB 3.48Å
86G97.8Very high97.1Very high20 Ų2035.4 Ų35.421%0.20619%0.188CC..Hα-helixtrans-58.8-39.1174.600000113.2S82 L88 G89 M90S82-G86 PolarHBondContact O-N 3.47Å; G86-L88 PolarHBondContact O-N 3.07Å; G86-G89 PolarHBondContact O-N 3.31Å; G86-M90 WeakPolarHBondContact O-CB 3.47Å; G86-M90 PolarHBondContact O-N 3.35Å
87A98.1Very high97Very high19 Ų1934.7 Ų34.716%0.15718%0.182CC..Hα-helixtrans-65.1-37.6175.300000112.9S83 V84 T85 H91 N224 L228S83-A87 PolarHBondContact O-N 3.27Å; V84-A87 PolarHBondContact O-N 2.94Å; T85-A87 VanDerWaalsContact C-N 3.32Å; T85-A87 PolarHBondContact O-N 3.29Å; A87-H91 WeakPolarHBondContact O-CB 3.18Å; A87-H91 PolarHBondContact O-N 2.91Å; A87-N224 HydrophobicContact CB-CB 4.16Å; A87-N224 VanDerWaalsContact CB-ND2 3.35Å; A87-N224 WeakPolarHBondContact CB-ND2 3.38Å; A87-L228 HydrophobicContact CB-CD1 4.31Å
88L97.9Very high96.7Very high3 Ų330 Ų302%0.01617%0.166CC..Hα-helixtrans-66.1-43.3173.9-63.3175.9000111.6V84 T85 G86 H91 A92 M227 L228 V231 V238 L241 C242V84-L88 PolarHBondContact O-N 3.4Å; T85-L88 WeakPolarHBondContact O-CB 3.38Å; T85-L88 PolarHBondContact O-N 2.97Å; T85-L88 VanDerWaalsContact O-N 3.13Å; G86-L88 PolarHBondContact O-N 3.07Å; L88-H91 PolarHBondContact O-N 3.22Å; L88-A92 PolarHBondContact O-N 3.47Å; L88-M227 HydrophobicContact CD2-CE 3.67Å; L88-M227 HydrophobicContact CD2-SD 3.79Å; L88-M227 HydrophobicContact CG-CE 4.04Å; L88-L228 HydrophobicContact CD2-CD2 3.9Å; L88-V231 HydrophobicContact CD2-CG2 4.21Å; L88-V238 HydrophobicContact CB-CG1 4.42Å; L88-V238 HydrophobicContact CD1-CG1 4.44Å; L88-V238 HydrophobicContact CD2-CG1 4.14Å; L88-L241 HydrophobicContact CD1-CB 4.31Å; L88-L241 HydrophobicContact CD1-CD2 4.2Å; L88-L241 HydrophobicContact CD1-CG 4.32Å; L88-C242 HydrophobicContact CD1-CB 3.96Å
89G97.1Very high96.4Very high0 Ų033.8 Ų33.80%019%0.19CC..Hα-helixtrans-60-48.1174.800000111.9T85 G86 H91 A92 V93T85-G89 PolarHBondContact O-N 2.82Å; G86-G89 PolarHBondContact O-N 3.31Å; G89-H91 PolarHBondContact O-N 3.09Å; G89-A92 WeakPolarHBondContact O-CB 3.39Å; G89-A92 PolarHBondContact O-N 2.96Å; G89-A92 VanDerWaalsContact O-N 3.12Å; G89-V93 WeakPolarHBondContact O-CG2 3.38Å; G89-V93 PolarHBondContact O-N 2.92Å
90M96.6Very high95.9Very high81 Ų8137.4 Ų37.440%0.39923%0.229SC..Hα-helixtrans-58.4-46.2176.6178.356-17900112.3G86 A92 V93 L94 W113G86-M90 WeakPolarHBondContact O-CB 3.47Å; G86-M90 PolarHBondContact O-N 3.35Å; M90-A92 VanDerWaalsContact C-N 3.29Å; M90-A92 PolarHBondContact O-N 3Å; M90-V93 PolarHBondContact O-N 3.25Å; M90-L94 HydrophobicContact CE-CD1 3.91Å; M90-L94 HydrophobicContact CE-CD2 3.85Å; M90-L94 HydrophobicContact CE-CG 3.84Å; M90-L94 WeakPolarHBondContact O-CG 3.43Å; M90-L94 PolarHBondContact O-N 3.39Å; M90-L94 HydrophobicContact SD-CG 4.34Å; M90-W113 HydrophobicContact CE-CH2 3.67Å; M90-W113 HydrophobicContact CE-CZ2 4.13Å; M90-W113 HydrophobicContact SD-CH2 3.89Å; M90-W113 HydrophobicContact SD-CZ2 4.45Å
91H96.6Very high95.4Very high68 Ų6839.4 Ų39.432%0.31524%0.241SC..Hα-helixtrans-59.4-40.5176176.2-81.2000112A87 L88 G89 L94 R95 L228 S232A87-H91 WeakPolarHBondContact O-CB 3.18Å; A87-H91 PolarHBondContact O-N 2.91Å; L88-H91 PolarHBondContact O-N 3.22Å; G89-H91 PolarHBondContact O-N 3.09Å; H91-L94 PolarHBondContact O-N 3.47Å; H91-R95 PolarHBondContact O-N 3.2Å; H91-R95 VanDerWaalsContact O-N 3.11Å; H91-L228 HydrophobicContact CB-CD2 4.11Å; H91-S232 VanDerWaalsContact NE2-CB 3.33Å; H91-S232 WeakPolarHBondContact NE2-CB 3.46Å
92A96.4Very high95Very high8 Ų847.8 Ų47.87%0.06628%0.28CS..Hα-helixtrans-65.3-43.1176.900000112.2L88 G89 M90 L94 R95 G96 L158 P161L88-A92 PolarHBondContact O-N 3.47Å; G89-A92 WeakPolarHBondContact O-CB 3.39Å; G89-A92 PolarHBondContact O-N 2.96Å; G89-A92 VanDerWaalsContact O-N 3.12Å; M90-A92 VanDerWaalsContact C-N 3.29Å; M90-A92 PolarHBondContact O-N 3Å; A92-L94 PolarHBondContact O-N 3.26Å; A92-R95 WeakPolarHBondContact O-CB 3.33Å; A92-R95 PolarHBondContact O-N 2.75Å; A92-G96 PolarHBondContact O-N 3.43Å; A92-L158 HydrophobicContact CB-CD1 4.1Å; A92-P161 HydrophobicContact CB-CG 4.22Å; A92-P161 WeakPolarHBondContact O-CG 3.36Å
93V96.9Very high94.7Very high4 Ų452.9 Ų52.92%0.02431%0.305CS..Hα-helixtrans-61.9-43.1176.3173.50000111.4G89 M90 R95 G96 V97 W113 E157 F167 V171G89-V93 WeakPolarHBondContact O-CG2 3.38Å; G89-V93 PolarHBondContact O-N 2.92Å; M90-V93 PolarHBondContact O-N 3.25Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.87Å; V93-G96 PolarHBondContact O-N 3.45Å; V93-V97 PolarHBondContact O-N 2.97Å; V93-W113 HydrophobicContact CG1-CZ2 4.39Å; V93-E157 HydrophobicContact CG2-CB 3.63Å; V93-E157 HydrophobicContact CG2-CG 3.63Å; V93-F167 HydrophobicContact CG1-CZ 4.39Å; V93-V171 HydrophobicContact CG2-CG2 4.43Å
94L95.8Very high94.3Very high60 Ų6053.2 Ų53.231%0.31431%0.31SS..Hα-helixtrans-59.2-43.1175.6-72.9175.5000111.7M90 H91 A92 G96 V97 V99 W113M90-L94 HydrophobicContact CE-CD1 3.91Å; M90-L94 HydrophobicContact CE-CD2 3.85Å; M90-L94 HydrophobicContact CE-CG 3.84Å; M90-L94 WeakPolarHBondContact O-CG 3.43Å; M90-L94 PolarHBondContact O-N 3.39Å; M90-L94 HydrophobicContact SD-CG 4.34Å; H91-L94 PolarHBondContact O-N 3.47Å; A92-L94 PolarHBondContact O-N 3.26Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 2.87Å; L94-V97 WeakPolarHBondContact O-CG2 3.35Å; L94-V99 HydrophobicContact CB-CB 4.37Å; L94-V99 HydrophobicContact CB-CG2 4.2Å; L94-V99 HydrophobicContact CD2-CG2 4.05Å; L94-V99 VanDerWaalsContact O-CB 3.24Å; L94-V99 WeakPolarHBondContact O-CB 3.44Å; L94-V99 WeakPolarHBondContact O-CG2 3.42Å; L94-V99 PolarHBondContact O-N 2.76Å; L94-W113 HydrophobicContact CD2-CZ2 4.24Å
95R93.4Very high94Very high170 Ų17056.3 Ų56.364%0.64233%0.331SS*.Hα-helixtrans-62.1-41.7173-177.3-177.6175.5-170.4-2.5111.6H91 A92 V93 G98H91-R95 PolarHBondContact O-N 3.2Å; H91-R95 VanDerWaalsContact O-N 3.11Å; A92-R95 WeakPolarHBondContact O-CB 3.33Å; A92-R95 PolarHBondContact O-N 2.75Å; V93-R95 VanDerWaalsContact C-N 3.31Å; V93-R95 PolarHBondContact O-N 2.87Å; R95-G98 PolarHBondContact O-N 2.98Å
96G93.2Very high93.8Very high26 Ų2662 Ų6227%0.26837%0.365SS..Hα-helixtrans-68.3-31.4-177.700000114.7A92 V93 L94 G98 F167A92-G96 PolarHBondContact O-N 3.43Å; V93-G96 PolarHBondContact O-N 3.45Å; L94-G96 VanDerWaalsContact C-N 3.32Å; L94-G96 PolarHBondContact O-N 2.87Å; G96-G98 PolarHBondContact O-N 3.41Å; G96-F167 VanDerWaalsContact C-CZ 3.41Å; G96-F167 VanDerWaalsContact CA-CE2 3.48Å
97V94.6Very high93.7Very high19 Ų1966.6 Ų66.612%0.11539%0.385CS..THydrogen-bonded Turntrans-76.5-2170.6-61.70000113.2V93 L94 V99 A109 T112 F167V93-V97 PolarHBondContact O-N 2.97Å; L94-V97 WeakPolarHBondContact O-CG2 3.35Å; V97-V99 HydrophobicContact CG2-CG2 3.87Å; V97-A109 HydrophobicContact CB-CB 4.12Å; V97-A109 HydrophobicContact CG2-CB 4.5Å; V97-T112 HydrophobicContact CG1-CG2 4.19Å; V97-F167 HydrophobicContact CG1-CE1 3.65Å; V97-F167 HydrophobicContact CG1-CZ 3.84Å
98G92.6Very high93.5Very high15 Ų1568 Ų6816%0.15540%0.397CS..THydrogen-bonded Turntrans89.720.5178.500000115.1R95 G96 G100 D101 A104R95-G98 PolarHBondContact O-N 2.98Å; G96-G98 PolarHBondContact O-N 3.41Å; G98-G100 PolarHBondContact O-N 2.83Å; G98-G100 VanDerWaalsContact O-N 3.08Å; G98-D101 WeakPolarHBondContact O-CB 3.38Å; G98-D101 PolarHBondContact O-N 2.81Å; G98-A104 WeakPolarHBondContact O-CB 3.35Å
99V91.4Very high93.3Very high99 Ų9968.9 Ų68.960%0.640%0.404SS*.THydrogen-bonded Turntrans-60.6118.4173.2176.60000109.7L94 V97L94-V99 HydrophobicContact CB-CB 4.37Å; L94-V99 HydrophobicContact CB-CG2 4.2Å; L94-V99 HydrophobicContact CD2-CG2 4.05Å; L94-V99 VanDerWaalsContact O-CB 3.24Å; L94-V99 WeakPolarHBondContact O-CB 3.44Å; L94-V99 WeakPolarHBondContact O-CG2 3.42Å; L94-V99 PolarHBondContact O-N 2.76Å; V97-V99 HydrophobicContact CG2-CG2 3.87Å
100G87.3Confident93.3Very high87 Ų8771.6 Ų71.690%0.89742%0.423SS*.THydrogen-bonded Turntrans97.8-4.1-176.500000114.6G98G98-G100 PolarHBondContact O-N 2.83Å; G98-G100 VanDerWaalsContact O-N 3.08Å
101D88.4Confident93.3Very high86 Ų8672 Ų7246%0.4643%0.426SS..  trans-93.7125.5169.3-175.4-3.8000109.9G98 N103 A104G98-D101 WeakPolarHBondContact O-CB 3.38Å; G98-D101 PolarHBondContact O-N 2.81Å; D101-N103 PolarHBondContact O-N 2.69Å; D101-N103 PolarHBondContact OD1-N 3.41Å; D101-N103 PolarHBondContact OD1-ND2 3.13Å; D101-A104 HydrophobicContact CB-CB 4.07Å; D101-A104 WeakPolarHBondContact O-CB 3.32Å; D101-A104 PolarHBondContact O-N 3.42Å
102E89.4Confident93.3Very high183 Ų18369.9 Ų69.986%0.85542%0.419SS*.THydrogen-bonded Turntrans-67.8-21179.662.7-173173.800113.2
103N90.6Very high93.3Very high133 Ų13373 Ų7371%0.71143%0.428SS*.THydrogen-bonded Turntrans-91.2-6.8178.5-58.1-66.8000112.8D101D101-N103 PolarHBondContact O-N 2.69Å; D101-N103 PolarHBondContact OD1-N 3.41Å; D101-N103 PolarHBondContact OD1-ND2 3.13Å
104A89.6Confident93.3Very high37 Ų3778.5 Ų78.531%0.30646%0.457SS..  trans-73.4130-17800000111.6G98 D101 V106G98-A104 WeakPolarHBondContact O-CB 3.35Å; D101-A104 HydrophobicContact CB-CB 4.07Å; D101-A104 WeakPolarHBondContact O-CB 3.32Å; D101-A104 PolarHBondContact O-N 3.42Å; A104-V106 PolarHBondContact O-N 3.46Å
105S92.3Very high93.4Very high64 Ų6480.3 Ų80.345%0.44847%0.467SS..  trans-80.2120.8177.4174.30000111.3L107 A108 A109S105-L107 PolarHBondContact O-N 3.02Å; S105-L107 PolarHBondContact OG-N 2.8Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact O-N 3.09Å; S105-A108 PolarHBondContact OG-N 2.91Å; S105-A109 PolarHBondContact O-N 3.4Å
106V94.3Very high93.6Very high119 Ų11974 Ų7472%0.72144%0.443SS*.Hα-helixtrans-56.2-36171.8178.90000111.4A104 S110A104-V106 PolarHBondContact O-N 3.46Å; V106-S110 WeakPolarHBondContact O-CB 3.36Å; V106-S110 PolarHBondContact O-N 3.05Å; V106-S110 PolarHBondContact O-OG 2.91Å
107L95.2Very high93.8Very high117 Ų11775.8 Ų75.861%0.61345%0.446SS*.Hα-helixtrans-65.8-45.2176.317864.1000111.2S105 A109 S110 L111S105-L107 PolarHBondContact O-N 3.02Å; S105-L107 PolarHBondContact OG-N 2.8Å; L107-A109 PolarHBondContact O-N 3.01Å; L107-S110 PolarHBondContact O-N 3.36Å; L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.26Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.84Å
108A93.6Very high93.9Very high50 Ų5076.3 Ų76.341%0.41346%0.456SS..Hα-helixtrans-63.3-42.3178.800000111.6S105 L111 T112S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact O-N 3.09Å; S105-A108 PolarHBondContact OG-N 2.91Å; A108-L111 PolarHBondContact O-N 3.23Å; A108-T112 WeakPolarHBondContact O-CB 3.43Å; A108-T112 PolarHBondContact O-N 3.43Å; A108-T112 PolarHBondContact O-OG1 3.09Å
109A94.9Very high94.2Very high20 Ų2076.9 Ų76.917%0.16546%0.457CS..Hα-helixtrans-58.4-51.1171.700000110.7V97 S105 L107 L111 T112 W113V97-A109 HydrophobicContact CB-CB 4.12Å; V97-A109 HydrophobicContact CG2-CB 4.5Å; S105-A109 PolarHBondContact O-N 3.4Å; L107-A109 PolarHBondContact O-N 3.01Å; A109-L111 PolarHBondContact O-N 3.5Å; A109-T112 WeakPolarHBondContact O-CA 3.36Å; A109-T112 WeakPolarHBondContact O-CB 3.35Å; A109-T112 PolarHBondContact O-N 2.93Å; A109-W113 PolarHBondContact O-N 3.32Å
110S96.5Very high94.5Very high57 Ų5772.5 Ų72.540%0.39943%0.432SS..Hα-helixtrans-58.3-44.2-179.3-57.20000112.6V106 L107 T112 W113 L114V106-S110 WeakPolarHBondContact O-CB 3.36Å; V106-S110 PolarHBondContact O-N 3.05Å; V106-S110 PolarHBondContact O-OG 2.91Å; L107-S110 PolarHBondContact O-N 3.36Å; S110-T112 VanDerWaalsContact C-N 3.32Å; S110-T112 PolarHBondContact O-N 3.43Å; S110-W113 PolarHBondContact O-N 3.26Å; S110-L114 WeakPolarHBondContact O-CG 3.45Å; S110-L114 PolarHBondContact O-N 2.92Å
111L97.1Very high95Very high89 Ų8974.1 Ų74.147%0.46642%0.418SS..Hα-helixtrans-64.5-37176-70.1174.9000112.1L107 A108 A109 L114 L115L107-L111 HydrophobicContact CD1-CD1 4.3Å; L107-L111 HydrophobicContact CD1-CG 4.26Å; L107-L111 HydrophobicContact CG-CD1 4.18Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 2.84Å; A108-L111 PolarHBondContact O-N 3.23Å; A109-L111 PolarHBondContact O-N 3.5Å; L111-L114 PolarHBondContact O-N 2.82Å; L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.22Å; L111-L115 PolarHBondContact O-N 3.22Å
112T96.3Very high95.5Very high25 Ų2574.9 Ų74.915%0.15343%0.425CS..Hα-helixtrans-62.1-43.6175-600000111.5V97 A108 A109 S110 R116 F167 L168V97-T112 HydrophobicContact CG1-CG2 4.19Å; A108-T112 WeakPolarHBondContact O-CB 3.43Å; A108-T112 PolarHBondContact O-N 3.43Å; A108-T112 PolarHBondContact O-OG1 3.09Å; A109-T112 WeakPolarHBondContact O-CA 3.36Å; A109-T112 WeakPolarHBondContact O-CB 3.35Å; A109-T112 PolarHBondContact O-N 2.93Å; S110-T112 VanDerWaalsContact C-N 3.32Å; S110-T112 PolarHBondContact O-N 3.43Å; T112-R116 VanDerWaalsContact O-CB 3.25Å; T112-R116 WeakPolarHBondContact O-CB 3.37Å; T112-R116 PolarHBondContact O-N 3.39Å; T112-F167 HydrophobicContact CG2-CD1 4.47Å; T112-F167 HydrophobicContact CG2-CE1 3.98Å; T112-L168 HydrophobicContact CG2-CD1 3.86Å
113W95.6Very high95.9Very high72 Ų7266.7 Ų66.727%0.27339%0.389SS..Hα-helixtrans-62.9-45.4175-8088.8000112M90 V93 L94 A109 S110 R116 D117M90-W113 HydrophobicContact CE-CH2 3.67Å; M90-W113 HydrophobicContact CE-CZ2 4.13Å; M90-W113 HydrophobicContact SD-CH2 3.89Å; M90-W113 HydrophobicContact SD-CZ2 4.45Å; V93-W113 HydrophobicContact CG1-CZ2 4.39Å; L94-W113 HydrophobicContact CD2-CZ2 4.24Å; A109-W113 PolarHBondContact O-N 3.32Å; S110-W113 PolarHBondContact O-N 3.26Å; W113-R116 PolarHBondContact O-N 2.93Å; W113-D117 WeakPolarHBondContact O-CB 3.11Å; W113-D117 VanDerWaalsContact O-CG 3.31Å; W113-D117 PolarHBondContact O-N 3.19Å
114L98Very high96.1Very high120 Ų12065.3 Ų65.363%0.62838%0.378SS*.Hα-helixtrans-62.5-44.8178.1-72.7172.7000112.8S110 L111 D117 G118S110-L114 WeakPolarHBondContact O-CG 3.45Å; S110-L114 PolarHBondContact O-N 2.92Å; L111-L114 PolarHBondContact O-N 2.82Å; L114-D117 PolarHBondContact O-N 3.08Å; L114-G118 PolarHBondContact O-N 3.24Å
115L97.8Very high96.5Very high98 Ų9869.6 Ų69.651%0.51340%0.395SS..Hα-helixtrans-65.8-41.6178.1-74.2171.2000111.5L111 S119 L168L111-L115 WeakPolarHBondContact O-CB 3.39Å; L111-L115 WeakPolarHBondContact O-CG 3.22Å; L111-L115 PolarHBondContact O-N 3.22Å; L115-S119 WeakPolarHBondContact O-CB 3.45Å; L115-S119 PolarHBondContact O-N 3.1Å; L115-S119 PolarHBondContact O-OG 3.26Å; L115-L168 HydrophobicContact CB-CD1 4.1Å; L115-L168 HydrophobicContact CD1-CD1 4.12Å; L115-L168 HydrophobicContact CD1-CD2 4Å
116R97.2Very high96.6Very high38 Ų3872 Ų7214%0.14340%0.397CS..Hα-helixtrans-57.7-52174.1-179.2-164.581-171.33.1111T112 W113 S119 G120 V171 S175T112-R116 VanDerWaalsContact O-CB 3.25Å; T112-R116 WeakPolarHBondContact O-CB 3.37Å; T112-R116 PolarHBondContact O-N 3.39Å; W113-R116 PolarHBondContact O-N 2.93Å; R116-S119 PolarHBondContact O-N 3.47Å; R116-S119 PolarHBondContact O-OG 3.04Å; R116-G120 PolarHBondContact O-N 3.49Å; R116-V171 HydrophobicContact CB-CG1 4.04Å; R116-V171 HydrophobicContact CG-CG1 3.58Å; R116-S175 WeakPolarHBondContact O-CB 3.39Å; R116-S175 PolarHBondContact O-OG 2.86Å
117D96.7Very high96.5Very high64 Ų6467.5 Ų67.534%0.34237%0.37SS..Hα-helixtrans-68.4-40.6-176.2-67.8-8.6000110.9W113 L114 S119 G120 M121W113-D117 WeakPolarHBondContact O-CB 3.11Å; W113-D117 VanDerWaalsContact O-CG 3.31Å; W113-D117 PolarHBondContact O-N 3.19Å; L114-D117 PolarHBondContact O-N 3.08Å; D117-S119 VanDerWaalsContact C-N 3.33Å; D117-S119 PolarHBondContact O-N 3.49Å; D117-G120 PolarHBondContact O-N 2.83Å; D117-G120 VanDerWaalsContact O-N 3.16Å; D117-M121 WeakPolarHBondContact O-CG 3.26Å; D117-M121 PolarHBondContact O-N 2.91Å
118G98Very high96.3Very high30 Ų3064 Ų6431%0.30936%0.357SS..Hα-helixtrans-58.8-41.1173.900000113.1L114 G120 M121 V122L114-G118 PolarHBondContact O-N 3.24Å; G118-G120 VanDerWaalsContact C-N 3.34Å; G118-G120 PolarHBondContact O-N 3.44Å; G118-M121 PolarHBondContact O-N 3.27Å; G118-V122 WeakPolarHBondContact O-CG2 3.44Å; G118-V122 PolarHBondContact O-N 3.15Å; G118-V122 VanDerWaalsContact O-N 3.08Å
119S98Very high96.2Very high26 Ų2670.8 Ų70.818%0.18237%0.373CS..Hα-helixtrans-63.2-39.2175.973.60000112.6L115 R116 D117 A123 C172L115-S119 WeakPolarHBondContact O-CB 3.45Å; L115-S119 PolarHBondContact O-N 3.1Å; L115-S119 PolarHBondContact O-OG 3.26Å; R116-S119 PolarHBondContact O-N 3.47Å; R116-S119 PolarHBondContact O-OG 3.04Å; D117-S119 VanDerWaalsContact C-N 3.33Å; D117-S119 PolarHBondContact O-N 3.49Å; S119-A123 WeakPolarHBondContact O-CB 3.44Å; S119-A123 PolarHBondContact O-N 2.86Å; S119-C172 PolarHBondContact OG-O 2.86Å
120G97.9Very high95.8Very high7 Ų775.3 Ų75.37%0.07239%0.389CS..Hα-helixtrans-64.6-42.4174.400000112.5R116 D117 G118 A123 Q124 A179R116-G120 PolarHBondContact O-N 3.49Å; D117-G120 PolarHBondContact O-N 2.83Å; D117-G120 VanDerWaalsContact O-N 3.16Å; G118-G120 VanDerWaalsContact C-N 3.34Å; G118-G120 PolarHBondContact O-N 3.44Å; G120-A123 PolarHBondContact O-N 3.36Å; G120-Q124 WeakPolarHBondContact O-CB 3.35Å; G120-Q124 PolarHBondContact O-N 3.24Å; G120-A179 VanDerWaalsContact O-CB 3.27Å; G120-A179 WeakPolarHBondContact O-CB 3.47Å
121M98Very high95.3Very high121 Ų12172.8 Ų72.860%0.59637%0.372SS*.Hα-helixtrans-62.2-46.1177.5-68174.5-175.900112.4D117 G118 A123 Q124 I125D117-M121 WeakPolarHBondContact O-CG 3.26Å; D117-M121 PolarHBondContact O-N 2.91Å; G118-M121 PolarHBondContact O-N 3.27Å; M121-A123 VanDerWaalsContact C-N 3.34Å; M121-A123 PolarHBondContact O-N 3.38Å; M121-Q124 PolarHBondContact O-N 2.89Å; M121-I125 WeakPolarHBondContact O-CG1 3.5Å; M121-I125 PolarHBondContact O-N 3.49Å
122V97.9Very high94.6Very high103 Ų10370 Ų7062%0.62436%0.364SS*.Hα-helixtrans-61.9-44.2176.6173.90000110.7G118 Q124 I125 F126G118-V122 WeakPolarHBondContact O-CG2 3.44Å; G118-V122 PolarHBondContact O-N 3.15Å; G118-V122 VanDerWaalsContact O-N 3.08Å; V122-Q124 PolarHBondContact O-N 2.88Å; V122-I125 PolarHBondContact O-N 3Å; V122-F126 PolarHBondContact O-N 3.12Å; V122-F126 VanDerWaalsContact O-N 3.09Å
123A97.3Very high93.8Very high11 Ų1176.4 Ų76.49%0.09139%0.386CS..Hα-helixtrans-62-42176.700000112.5S119 G120 M121 I125 F126 V127 I176 A179S119-A123 WeakPolarHBondContact O-CB 3.44Å; S119-A123 PolarHBondContact O-N 2.86Å; G120-A123 PolarHBondContact O-N 3.36Å; M121-A123 VanDerWaalsContact C-N 3.34Å; M121-A123 PolarHBondContact O-N 3.38Å; A123-I125 VanDerWaalsContact C-N 3.32Å; A123-I125 PolarHBondContact O-N 3.23Å; A123-F126 PolarHBondContact O-N 3.02Å; A123-V127 WeakPolarHBondContact O-CB 3.41Å; A123-V127 WeakPolarHBondContact O-CG2 3.42Å; A123-V127 PolarHBondContact O-N 3.5Å; A123-I176 HydrophobicContact CB-CB 4.04Å; A123-I176 HydrophobicContact CB-CG1 3.93Å; A123-I176 HydrophobicContact CB-CG2 3.76Å; A123-A179 HydrophobicContact CB-CB 4.04Å
124Q96.3Very high93.2Very high103 Ų10374.4 Ų74.448%0.48138%0.379SS..Hα-helixtrans-58.7-43.5178.4-172176.8-6.700111.7G120 M121 V122 A128 A179G120-Q124 WeakPolarHBondContact O-CB 3.35Å; G120-Q124 PolarHBondContact O-N 3.24Å; M121-Q124 PolarHBondContact O-N 2.89Å; V122-Q124 PolarHBondContact O-N 2.88Å; Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.21Å; Q124-A179 HydrophobicContact CB-CB 4.08Å
125I96.5Very high92.4Very high127 Ų12769.2 Ų69.265%0.65135%0.352SS*.Hα-helixtrans-62.8-49.5176.6-64.8168.6000110.5M121 V122 A123 V127 A128 W129M121-I125 WeakPolarHBondContact O-CG1 3.5Å; M121-I125 PolarHBondContact O-N 3.49Å; V122-I125 PolarHBondContact O-N 3Å; A123-I125 VanDerWaalsContact C-N 3.32Å; A123-I125 PolarHBondContact O-N 3.23Å; I125-V127 PolarHBondContact O-N 3.38Å; I125-A128 PolarHBondContact O-N 3.19Å; I125-W129 PolarHBondContact O-N 2.92Å
126F95.1Very high91.4Very high116 Ų11669.8 Ų69.851%0.50936%0.355SS..Hα-helixtrans-62.5-44.8-178.6-178.4-94.1000112.2V122 A123 W129 F130V122-F126 PolarHBondContact O-N 3.12Å; V122-F126 VanDerWaalsContact O-N 3.09Å; A123-F126 PolarHBondContact O-N 3.02Å; F126-W129 HydrophobicContact CD2-CE3 4.11Å; F126-W129 HydrophobicContact CD2-CZ3 4.27Å; F126-W129 HydrophobicContact CE2-CE3 4.06Å; F126-W129 AromaticContact CE2-CZ3 3.79Å; F126-W129 HydrophobicContact CE2-CZ3 3.79Å; F126-W129 HydrophobicContact CZ-CZ3 4.47Å; F126-W129 PolarHBondContact O-N 3.02Å; F126-F130 HydrophobicContact CE1-CB 4.41Å; F126-F130 WeakPolarHBondContact O-CB 3.41Å; F126-F130 PolarHBondContact O-N 3.37Å
127V91.9Very high90.6Very high23 Ų2368.1 Ų68.114%0.13935%0.35CS..Hα-helixtrans-68.9-38.4-179.51780000110.5A123 I125 W129 F130 A131 I180 L183A123-V127 WeakPolarHBondContact O-CB 3.41Å; A123-V127 WeakPolarHBondContact O-CG2 3.42Å; A123-V127 PolarHBondContact O-N 3.5Å; I125-V127 PolarHBondContact O-N 3.38Å; V127-W129 VanDerWaalsContact C-N 3.35Å; V127-W129 PolarHBondContact O-N 3.4Å; V127-F130 PolarHBondContact O-N 2.92Å; V127-A131 HydrophobicContact CG1-CB 4.18Å; V127-A131 WeakPolarHBondContact O-CA 3.37Å; V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 3.49Å; V127-A131 PolarHBondContact O-N 3.26Å; V127-I180 HydrophobicContact CB-CG1 4.5Å; V127-I180 HydrophobicContact CG1-CG1 4.15Å; V127-I180 HydrophobicContact CG2-CD1 4.44Å; V127-I180 HydrophobicContact CG2-CG1 3.67Å; V127-L183 HydrophobicContact CB-CD2 4.41Å; V127-L183 HydrophobicContact CG1-CD2 3.78Å
128A92.4Very high90Very high43 Ų4365.1 Ų65.136%0.35533%0.334SS..Hα-helixtrans-60.7-44.5173.900000111.9Q124 I125 G132 L183Q124-A128 WeakPolarHBondContact O-CB 3.35Å; Q124-A128 PolarHBondContact O-N 3.21Å; I125-A128 PolarHBondContact O-N 3.19Å; A128-G132 WeakPolarHBondContact O-CA 3.44Å; A128-G132 PolarHBondContact O-N 2.98Å; A128-G132 VanDerWaalsContact O-N 3.12Å; A128-L183 HydrophobicContact CB-CD1 4.45Å; A128-L183 HydrophobicContact CB-CD2 4.12Å
129W90.3Very high89.6Confident194 Ų19464.1 Ų64.174%0.73532%0.322SS*.Hα-helixtrans-63.8-46.2175.7172.462.5000112.6I125 F126 V127I125-W129 PolarHBondContact O-N 2.92Å; F126-W129 HydrophobicContact CD2-CE3 4.11Å; F126-W129 HydrophobicContact CD2-CZ3 4.27Å; F126-W129 HydrophobicContact CE2-CE3 4.06Å; F126-W129 AromaticContact CE2-CZ3 3.79Å; F126-W129 HydrophobicContact CE2-CZ3 3.79Å; F126-W129 HydrophobicContact CZ-CZ3 4.47Å; F126-W129 PolarHBondContact O-N 3.02Å; V127-W129 VanDerWaalsContact C-N 3.35Å; V127-W129 PolarHBondContact O-N 3.4Å
130F86.9Confident89.4Confident115 Ų11563.1 Ų63.150%0.50431%0.314SS..Hα-helixtrans-79-45.6-173.8-178.2-104.8000113.6F126 V127 L299F126-F130 HydrophobicContact CE1-CB 4.41Å; F126-F130 WeakPolarHBondContact O-CB 3.41Å; F126-F130 PolarHBondContact O-N 3.37Å; V127-F130 PolarHBondContact O-N 2.92Å; F130-L299 HydrophobicContact CE1-CD1 3.96Å
131A85.8Confident89Confident4 Ų462.9 Ų62.93%0.03331%0.311CS..Hα-helixtrans-97.2-13.9-171.100000113.7V127 R133 H134 L135 W142V127-A131 HydrophobicContact CG1-CB 4.18Å; V127-A131 WeakPolarHBondContact O-CA 3.37Å; V127-A131 VanDerWaalsContact O-CB 3.28Å; V127-A131 WeakPolarHBondContact O-CB 3.49Å; V127-A131 PolarHBondContact O-N 3.26Å; A131-R133 VanDerWaalsContact C-N 3.26Å; A131-R133 PolarHBondContact O-N 2.92Å; A131-R133 VanDerWaalsContact O-N 3.11Å; A131-H134 PolarHBondContact O-N 3.47Å; A131-L135 PolarHBondContact O-N 3.37Å; A131-W142 HydrophobicContact CB-CH2 4.24Å
132G82.4Confident88.7Confident30 Ų3057.9 Ų57.931%0.30929%0.286SS..Hα-helixtrans-48.5-44.8-172.700000113.9A128 H134 L135A128-G132 WeakPolarHBondContact O-CA 3.44Å; A128-G132 PolarHBondContact O-N 2.98Å; A128-G132 VanDerWaalsContact O-N 3.12Å; G132-H134 PolarHBondContact O-N 3.06Å; G132-L135 PolarHBondContact O-N 3.36Å
133R79.6Confident88.5Confident160 Ų16053.6 Ų53.660%0.60426%0.258SS*.Hα-helixtrans-62.3-23.3179.4-61.6-170.6-65158.90.8114.7A131 D418A131-R133 VanDerWaalsContact C-N 3.26Å; A131-R133 PolarHBondContact O-N 2.92Å; A131-R133 VanDerWaalsContact O-N 3.11Å; R133-D418 IonicContact NH1-OD1 3.83Å; R133-D418 PolarHBondContact NH1-OD1 2.8Å
134H82.3Confident88.2Confident29 Ų2954.9 Ų54.913%0.13426%0.263CS..Hα-helixtrans-98.7-12.2-174.6-64.6-68.9000113.4A131 G132 T137 W142 I416A131-H134 PolarHBondContact O-N 3.47Å; G132-H134 PolarHBondContact O-N 3.06Å; H134-T137 WeakPolarHBondContact O-CB 3.4Å; H134-W142 HydrophobicContact CB-CZ2 4.07Å; H134-W142 PolarHBondContact O-NE1 3.33Å; H134-I416 WeakPolarHBondContact ND1-CD1 3.38Å
135L81.3Confident88Confident12 Ų1250.9 Ų50.96%0.06325%0.246CC..Hα-helixtrans-69.3-41.7-171-70.2174.1000112.4A131 G132 T137 W142 L183 A184 A187A131-L135 PolarHBondContact O-N 3.37Å; G132-L135 PolarHBondContact O-N 3.36Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.91Å; L135-W142 HydrophobicContact CD2-CD2 3.67Å; L135-W142 HydrophobicContact CD2-CE3 3.97Å; L135-W142 HydrophobicContact CD2-CG 3.98Å; L135-W142 HydrophobicContact CD2-CH2 4.48Å; L135-W142 HydrophobicContact CD2-CZ2 4.22Å; L135-W142 HydrophobicContact CD2-CZ3 4.36Å; L135-L183 HydrophobicContact CD1-CD1 4.28Å; L135-L183 HydrophobicContact CD1-CD2 3.76Å; L135-L183 HydrophobicContact CD1-CG 3.7Å; L135-A184 HydrophobicContact CD2-CB 4.32Å; L135-A187 HydrophobicContact CB-CB 3.87Å; L135-A187 HydrophobicContact CD1-CB 3.99Å; L135-A187 HydrophobicContact CG-CB 4.37Å
136D76.7Confident87.9Confident109 Ų10944.9 Ų44.958%0.58322%0.215SC*.THydrogen-bonded Turntrans-71.4-29.7-178.1-66.3-34000112.7D138D136-D138 PolarHBondContact O-N 2.9Å
137T80.7Confident87.8Confident4 Ų439.9 Ų39.93%0.02519%0.194CC..THydrogen-bonded Turntrans-63-40.4-175.9-50.40000113.5H134 L135 N266 E267 S414 I416H134-T137 WeakPolarHBondContact O-CB 3.4Å; L135-T137 VanDerWaalsContact C-N 3.31Å; L135-T137 PolarHBondContact O-N 2.91Å; T137-N266 WeakPolarHBondContact O-CB 3.45Å; T137-N266 PolarHBondContact O-ND2 3.49Å; T137-E267 WeakPolarHBondContact CG2-OE1 3.44Å; T137-E267 WeakPolarHBondContact CG2-OE2 3.23Å; T137-S414 WeakPolarHBondContact CA-O 3.33Å; T137-S414 WeakPolarHBondContact CG2-O 3.44Å; T137-I416 HydrophobicContact CG2-CD1 3.82Å; T137-I416 HydrophobicContact CG2-CG1 3.96Å; T137-I416 WeakPolarHBondContact OG1-CG1 3.27Å
138D84.5Confident87.9Confident1 Ų142.4 Ų42.41%0.00521%0.209CC..THydrogen-bonded Turntrans-13444.8-161.2-100.2-21.6000112.2D136 K140 A141 W142 K268 S298D136-D138 PolarHBondContact O-N 2.9Å; D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.22Å; D138-K140 VanDerWaalsContact O-N 3.1Å; D138-A141 HydrophobicContact CB-CB 4.29Å; D138-A141 PolarHBondContact O-N 3.1Å; D138-W142 PolarHBondContact O-N 3.43Å; D138-K268 VanDerWaalsContact OD1-CE 3.27Å; D138-K268 WeakPolarHBondContact OD1-CE 2.75Å; D138-K268 IonicContact OD1-NZ 3.72Å; D138-K268 PolarHBondContact OD1-NZ 2.79Å; D138-K268 VanDerWaalsContact OD2-CE 3.31Å; D138-K268 WeakPolarHBondContact OD2-CE 3.48Å; D138-K268 IonicContact OD2-NZ 3.5Å; D138-K268 PolarHBondContact OD2-NZ 3.5Å; D138-S298 WeakPolarHBondContact OD2-CA 3.34Å; D138-S298 WeakPolarHBondContact OD2-CB 2.87Å; D138-S298 PolarHBondContact OD2-N 2.79Å; D138-S298 PolarHBondContact OD2-OG 2.82Å
139C90.1Very high88.1Confident9 Ų942.8 Ų42.86%0.06120%0.203CC..Hα-helixtrans-44.8-48.3-174.9173.30000114A141 W142 R143 S188 A191 F262C139-A141 PolarHBondContact O-N 3.06Å; C139-W142 PolarHBondContact O-N 2.89Å; C139-R143 WeakPolarHBondContact O-CB 3.44Å; C139-R143 PolarHBondContact O-N 3.04Å; C139-S188 VanDerWaalsContact SG-CA 3.58Å; C139-S188 PolarHBondContact SG-O 3.49Å; C139-S188 VanDerWaalsContact SG-O 3.33Å; C139-A191 HydrophobicContact CB-CB 4.11Å; C139-F262 HydrophobicContact CB-CE2 4.42Å; C139-F262 HydrophobicContact CB-CZ 4.15Å
140K92.8Very high88.4Confident5 Ų534.2 Ų34.22%0.02217%0.172CC..Hα-helixtrans-59.5-45.3178.4-72-167.2-178.6149.80113.3D138 L144 I257 L260 F262 N290 E293 L295D138-K140 VanDerWaalsContact C-N 3.29Å; D138-K140 PolarHBondContact O-N 3.22Å; D138-K140 VanDerWaalsContact O-N 3.1Å; K140-L144 PolarHBondContact O-N 3Å; K140-I257 HydrophobicContact CB-CG2 3.61Å; K140-I257 HydrophobicContact CD-CG2 3.79Å; K140-I257 HydrophobicContact CG-CG2 3.74Å; K140-L260 PolarHBondContact NZ-O 3.47Å; K140-F262 HydrophobicContact CG-CD2 4.22Å; K140-F262 HydrophobicContact CG-CE2 3.88Å; K140-N290 PolarHBondContact NZ-O 3Å; K140-N290 VanDerWaalsContact NZ-O 3.1Å; K140-N290 PolarHBondContact NZ-OD1 3.43Å; K140-E293 WeakPolarHBondContact CD-OE2 3.41Å; K140-E293 IonicContact NZ-OE2 3.94Å; K140-E293 PolarHBondContact NZ-OE2 3.03Å; K140-L295 HydrophobicContact CB-CD2 4.04Å; K140-L295 HydrophobicContact CD-CD2 4.08Å
141A91.2Very high89Confident1 Ų129.1 Ų29.11%0.00815%0.15CC..Hα-helixtrans-71.8-40.2-177.700000111.1D138 C139 L144 T145 L295 P297D138-A141 HydrophobicContact CB-CB 4.29Å; D138-A141 PolarHBondContact O-N 3.1Å; C139-A141 PolarHBondContact O-N 3.06Å; A141-L144 PolarHBondContact O-N 3.29Å; A141-T145 VanDerWaalsContact O-CB 3.3Å; A141-T145 WeakPolarHBondContact O-CB 3.33Å; A141-T145 PolarHBondContact O-N 2.97Å; A141-T145 PolarHBondContact O-OG1 3.31Å; A141-L295 WeakPolarHBondContact CA-O 3.34Å; A141-L295 WeakPolarHBondContact CB-O 3.43Å; A141-P297 HydrophobicContact CB-CB 4.35Å; A141-P297 HydrophobicContact CB-CG 4.14Å
142W91.1Very high89.6Confident16 Ų1632.9 Ų32.96%0.06117%0.169CC..Hα-helixtrans-64.9-38175.4-80116.8000112.7A131 H134 L135 D138 C139 T145 A146 A184 L299A131-W142 HydrophobicContact CB-CH2 4.24Å; H134-W142 HydrophobicContact CB-CZ2 4.07Å; H134-W142 PolarHBondContact O-NE1 3.33Å; L135-W142 HydrophobicContact CD2-CD2 3.67Å; L135-W142 HydrophobicContact CD2-CE3 3.97Å; L135-W142 HydrophobicContact CD2-CG 3.98Å; L135-W142 HydrophobicContact CD2-CH2 4.48Å; L135-W142 HydrophobicContact CD2-CZ2 4.22Å; L135-W142 HydrophobicContact CD2-CZ3 4.36Å; D138-W142 PolarHBondContact O-N 3.43Å; C139-W142 PolarHBondContact O-N 2.89Å; W142-T145 HydrophobicContact CE3-CG2 4.46Å; W142-T145 PolarHBondContact O-N 3.36Å; W142-A146 WeakPolarHBondContact O-CB 3.5Å; W142-A146 PolarHBondContact O-N 3.48Å; W142-A184 HydrophobicContact CE3-CB 4.1Å; W142-L299 HydrophobicContact CH2-CD1 4.14Å; W142-L299 HydrophobicContact CZ2-CB 4.33Å; W142-L299 HydrophobicContact CZ2-CD1 4.21Å
143R92.6Very high90.3Very high13 Ų1331.4 Ų31.45%0.04915%0.154CC..Hα-helixtrans-62.2-48.3174179.95864.680.75.6111.9Y71 D75 C139 T145 A146 D147 S188 I257Y71-R143 PolarHBondContact OH-NH1 3.28Å; D75-R143 IonicContact OD1-NH1 2.88Å; C139-R143 WeakPolarHBondContact O-CB 3.44Å; C139-R143 PolarHBondContact O-N 3.04Å; R143-T145 VanDerWaalsContact C-N 3.27Å; R143-T145 PolarHBondContact O-N 3.01Å; R143-A146 WeakPolarHBondContact O-CB 3.45Å; R143-A146 PolarHBondContact O-N 3.23Å; R143-D147 PolarHBondContact O-N 2.83Å; R143-S188 PolarHBondContact NE-OG 3.35Å; R143-S188 PolarHBondContact NH2-OG 3.44Å; R143-S188 VanDerWaalsContact NH2-OG 3.08Å; R143-I257 HydrophobicContact CB-CD1 3.76Å; R143-I257 HydrophobicContact CB-CG1 4.28Å; R143-I257 HydrophobicContact CG-CD1 3.65Å; R143-I257 HydrophobicContact CG-CG1 4.05Å
144L92.6Very high91.2Very high38 Ų3823.8 Ų23.820%0.19913%0.125CC..Hα-helixtrans-62.9-37.5177.6-17664.1000111.6K140 A141 D147 V148 N253 L295K140-L144 PolarHBondContact O-N 3Å; A141-L144 PolarHBondContact O-N 3.29Å; L144-D147 PolarHBondContact O-N 3.3Å; L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 3Å; L144-V148 VanDerWaalsContact O-N 3.09Å; L144-N253 WeakPolarHBondContact CD1-OD1 3.25Å; L144-L295 HydrophobicContact CD2-CB 4.09Å; L144-L295 HydrophobicContact CD2-CD1 4.32Å
145T91Very high92Very high19 Ų1925.4 Ų25.412%0.11713%0.13CC..Hα-helixtrans-67.7-40.1177.9-59.10000112.1A141 W142 R143 D147 V148 F149 P297A141-T145 VanDerWaalsContact O-CB 3.3Å; A141-T145 WeakPolarHBondContact O-CB 3.33Å; A141-T145 PolarHBondContact O-N 2.97Å; A141-T145 PolarHBondContact O-OG1 3.31Å; W142-T145 HydrophobicContact CE3-CG2 4.46Å; W142-T145 PolarHBondContact O-N 3.36Å; R143-T145 VanDerWaalsContact C-N 3.27Å; R143-T145 PolarHBondContact O-N 3.01Å; T145-D147 VanDerWaalsContact C-N 3.27Å; T145-D147 PolarHBondContact O-N 2.99Å; T145-V148 PolarHBondContact O-N 3.45Å; T145-F149 HydrophobicContact CG2-CD2 3.69Å; T145-F149 HydrophobicContact CG2-CE2 3.42Å; T145-F149 VanDerWaalsContact CG2-CE2 3.42Å; T145-F149 HydrophobicContact CG2-CZ 4.39Å; T145-F149 VanDerWaalsContact O-CD2 3.31Å; T145-F149 WeakPolarHBondContact O-CD2 3.34Å; T145-F149 PolarHBondContact O-N 3.35Å; T145-P297 HydrophobicContact CG2-CG 4.46Å; T145-P297 WeakPolarHBondContact OG1-CG 3.35Å
146A93.8Very high92.8Very high1 Ų127.1 Ų27.11%0.00814%0.139CC..Hα-helixtrans-57.9-43.3173.800000110.6W142 R143 F149 N150 V181 A184W142-A146 WeakPolarHBondContact O-CB 3.5Å; W142-A146 PolarHBondContact O-N 3.48Å; R143-A146 WeakPolarHBondContact O-CB 3.45Å; R143-A146 PolarHBondContact O-N 3.23Å; A146-F149 PolarHBondContact O-N 3.19Å; A146-N150 WeakPolarHBondContact O-CB 3.42Å; A146-N150 PolarHBondContact O-N 3Å; A146-V181 HydrophobicContact CB-CG1 4.35Å; A146-V181 VanDerWaalsContact O-CG2 3.26Å; A146-V181 WeakPolarHBondContact O-CG2 3.42Å; A146-A184 HydrophobicContact CB-CB 3.92Å
147D93.9Very high93.8Very high11 Ų1122.5 Ų22.56%0.05911%0.114CC..Hα-helixtrans-68.2-40179.8-80.420.4000112.6Q78 R143 L144 T145 F149 N150 D151 H249 N253Q78-D147 WeakPolarHBondContact CG-OD2 3.43Å; Q78-D147 PolarHBondContact NE2-OD2 2.86Å; R143-D147 PolarHBondContact O-N 2.83Å; L144-D147 PolarHBondContact O-N 3.3Å; T145-D147 VanDerWaalsContact C-N 3.27Å; T145-D147 PolarHBondContact O-N 2.99Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 3.32Å; D147-N150 WeakPolarHBondContact O-CB 3.3Å; D147-N150 PolarHBondContact O-N 2.67Å; D147-D151 PolarHBondContact O-N 3.31Å; D147-H249 IonicContact OD2-CE1 3.66Å; D147-H249 IonicContact OD2-NE2 3.41Å; D147-H249 PolarHBondContact OD2-NE2 2.92Å; D147-N253 WeakPolarHBondContact OD2-CB 3.07Å; D147-N253 PolarHBondContact OD2-ND2 3.38Å
148V94.6Very high94.6Very high76 Ų7623 Ų2346%0.46112%0.116SC..Hα-helixtrans-60.7-43.2173.4171.70000111.4L144 T145 D151 L152 L250L144-V148 WeakPolarHBondContact O-CG2 3.44Å; L144-V148 PolarHBondContact O-N 3Å; L144-V148 VanDerWaalsContact O-N 3.09Å; T145-V148 PolarHBondContact O-N 3.45Å; V148-D151 PolarHBondContact O-N 3.09Å; V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 PolarHBondContact O-N 2.64Å; V148-L250 HydrophobicContact CG2-CD2 4.01Å
149F96.2Very high95.1Very high52 Ų5225.7 Ų25.723%0.22813%0.13CC..Hα-helixtrans-69.2-34.2176.1-75.4-48.8000112.8T145 A146 D147 L152 A153 L177 I180 V181T145-F149 HydrophobicContact CG2-CD2 3.69Å; T145-F149 HydrophobicContact CG2-CE2 3.42Å; T145-F149 VanDerWaalsContact CG2-CE2 3.42Å; T145-F149 HydrophobicContact CG2-CZ 4.39Å; T145-F149 VanDerWaalsContact O-CD2 3.31Å; T145-F149 WeakPolarHBondContact O-CD2 3.34Å; T145-F149 PolarHBondContact O-N 3.35Å; A146-F149 PolarHBondContact O-N 3.19Å; D147-F149 VanDerWaalsContact C-N 3.34Å; D147-F149 PolarHBondContact O-N 3.32Å; F149-L152 PolarHBondContact O-N 3.41Å; F149-A153 VanDerWaalsContact O-CB 3.3Å; F149-A153 WeakPolarHBondContact O-CB 3.37Å; F149-A153 PolarHBondContact O-N 3.06Å; F149-L177 HydrophobicContact CD1-CD2 3.67Å; F149-L177 HydrophobicContact CE1-CD2 4.08Å; F149-L177 HydrophobicContact CG-CD2 4.39Å; F149-I180 HydrophobicContact CD2-CG2 3.82Å; F149-I180 HydrophobicContact CE2-CG2 4.04Å; F149-V181 HydrophobicContact CB-CG2 3.68Å
150N97.5Very high95.5Very high14 Ų1425.2 Ų25.28%0.07513%0.127CC..Hα-helixtrans-63.8-44174.6-179.366.3000111.5S82 A146 D147 A153 T154 R178 V181S82-N150 PolarHBondContact OG-ND2 2.88Å; A146-N150 WeakPolarHBondContact O-CB 3.42Å; A146-N150 PolarHBondContact O-N 3Å; D147-N150 WeakPolarHBondContact O-CB 3.3Å; D147-N150 PolarHBondContact O-N 2.67Å; N150-A153 PolarHBondContact O-N 3.42Å; N150-T154 WeakPolarHBondContact O-CB 3.47Å; N150-T154 PolarHBondContact O-N 2.93Å; N150-T154 PolarHBondContact O-OG1 3.43Å; N150-R178 PolarHBondContact OD1-NH1 3.11Å; N150-V181 HydrophobicContact CB-CG1 3.95Å; N150-V181 HydrophobicContact CB-CG2 3.93Å
151D97.9Very high95.5Very high7 Ų726.2 Ų26.24%0.03713%0.134CC..Hα-helixtrans-63.9-45.9175.4-73.5-33.6000110.7D147 V148 A153 T154 W155 T246 H249 L250D147-D151 PolarHBondContact O-N 3.31Å; V148-D151 PolarHBondContact O-N 3.09Å; D151-A153 PolarHBondContact O-N 3.06Å; D151-T154 PolarHBondContact O-N 3.4Å; D151-W155 PolarHBondContact O-N 3.12Å; D151-T246 HydrophobicContact CB-CG2 4.02Å; D151-H249 VanDerWaalsContact CG-ND1 3.25Å; D151-H249 IonicContact OD1-CE1 2.76Å; D151-H249 PolarHBondContact OD1-CE1 2.74Å; D151-H249 IonicContact OD1-CG 3.32Å; D151-H249 IonicContact OD1-ND1 3.54Å; D151-H249 PolarHBondContact OD1-ND1 3.48Å; D151-H249 IonicContact OD2-CE1 3.71Å; D151-H249 PolarHBondContact OD2-CE1 3.13Å; D151-H249 IonicContact OD2-CG 3.79Å; D151-H249 IonicContact OD2-ND1 2.81Å; D151-H249 PolarHBondContact OD2-ND1 3.5Å; D151-L250 WeakPolarHBondContact OD2-CD2 3.35Å; D151-L250 WeakPolarHBondContact OD2-CG 3.19Å
152L98Very high95.6Very high83 Ų8329.5 Ų29.544%0.43515%0.152SC..Hα-helixtrans-59.4-44.7177-178.260.6000112V148 F149 T154 W155 L156 L177V148-L152 WeakPolarHBondContact O-CB 3.26Å; V148-L152 PolarHBondContact O-N 2.64Å; F149-L152 PolarHBondContact O-N 3.41Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 3.44Å; L152-W155 PolarHBondContact O-N 3.46Å; L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.3Å; L152-L177 HydrophobicContact CB-CD1 4.06Å; L152-L177 HydrophobicContact CD2-CD1 3.69Å; L152-L177 HydrophobicContact CG-CD1 3.62Å
153A98.4Very high95.7Very high0 Ų035.2 Ų35.20%017%0.174CC..Hα-helixtrans-57.8-47.1175.200000111.4F149 N150 D151 W155 L156 E157 S174 L177 R178F149-A153 VanDerWaalsContact O-CB 3.3Å; F149-A153 WeakPolarHBondContact O-CB 3.37Å; F149-A153 PolarHBondContact O-N 3.06Å; N150-A153 PolarHBondContact O-N 3.42Å; D151-A153 PolarHBondContact O-N 3.06Å; A153-W155 VanDerWaalsContact C-N 3.31Å; A153-W155 PolarHBondContact O-N 2.85Å; A153-L156 WeakPolarHBondContact O-CB 3.18Å; A153-L156 PolarHBondContact O-N 3.45Å; A153-E157 WeakPolarHBondContact O-CG 3.1Å; A153-E157 PolarHBondContact O-N 3.49Å; A153-S174 WeakPolarHBondContact CB-OG 3.44Å; A153-S174 PolarHBondContact O-OG 3.44Å; A153-S174 VanDerWaalsContact O-OG 3.13Å; A153-L177 HydrophobicContact CB-CB 3.9Å; A153-L177 HydrophobicContact CB-CD1 4.27Å; A153-R178 HydrophobicContact CB-CG 3.9Å
154T98.3Very high95.6Very high0 Ų042.2 Ų42.20%021%0.207CC..Hα-helixtrans-63.6-36.6178.5-570000112T85 N150 D151 L152 E157 L158 R178T85-T154 VanDerWaalsContact O-CG2 3.25Å; T85-T154 WeakPolarHBondContact O-CG2 3.32Å; N150-T154 WeakPolarHBondContact O-CB 3.47Å; N150-T154 PolarHBondContact O-N 2.93Å; N150-T154 PolarHBondContact O-OG1 3.43Å; D151-T154 PolarHBondContact O-N 3.4Å; L152-T154 VanDerWaalsContact C-N 3.33Å; L152-T154 PolarHBondContact O-N 3.44Å; T154-E157 PolarHBondContact O-N 2.92Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.42Å; T154-L158 PolarHBondContact O-N 2.89Å; T154-R178 PolarHBondContact OG1-NH2 3.38Å
155W98.2Very high95.6Very high63 Ų6346 Ų4624%0.23923%0.234CC..Hα-helixtrans-69.2-39.5174.2-86.2101.7000113.2D151 L152 A153 E157 L158 L159 I239 C242 A243 T246D151-W155 PolarHBondContact O-N 3.12Å; L152-W155 PolarHBondContact O-N 3.46Å; A153-W155 VanDerWaalsContact C-N 3.31Å; A153-W155 PolarHBondContact O-N 2.85Å; W155-E157 VanDerWaalsContact C-N 3.33Å; W155-L158 HydrophobicContact CE3-CD2 4.09Å; W155-L158 HydrophobicContact CH2-CD2 4.5Å; W155-L158 HydrophobicContact CZ3-CD2 3.99Å; W155-L158 PolarHBondContact O-N 3.31Å; W155-L159 HydrophobicContact CE3-CD1 4.04Å; W155-L159 HydrophobicContact CE3-CG 4.19Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.44Å; W155-L159 PolarHBondContact O-N 3.33Å; W155-I239 HydrophobicContact CH2-CG2 4.07Å; W155-I239 HydrophobicContact CZ3-CG2 4.25Å; W155-C242 HydrophobicContact CZ2-CB 4.42Å; W155-A243 HydrophobicContact CH2-CB 4.26Å; W155-A243 HydrophobicContact CZ2-CB 4.03Å; W155-T246 PolarHBondContact NE1-OG1 2.95Å
156L98.2Very high95.8Very high47 Ų4751.6 Ų51.625%0.24626%0.257CS..Hα-helixtrans-59.4-46.9172.5-72177.6000110.5L152 A153 L159 S160 I170 M173 L177L152-L156 WeakPolarHBondContact O-CG 3.39Å; L152-L156 PolarHBondContact O-N 3.3Å; A153-L156 WeakPolarHBondContact O-CB 3.18Å; A153-L156 PolarHBondContact O-N 3.45Å; L156-L159 PolarHBondContact O-N 3.44Å; L156-S160 WeakPolarHBondContact O-CA 3.47Å; L156-S160 VanDerWaalsContact O-CB 3.24Å; L156-S160 WeakPolarHBondContact O-CB 3.46Å; L156-S160 PolarHBondContact O-N 3.01Å; L156-I170 HydrophobicContact CB-CG2 3.86Å; L156-I170 HydrophobicContact CD2-CG2 4.2Å; L156-I170 VanDerWaalsContact O-CG2 3.32Å; L156-I170 WeakPolarHBondContact O-CG2 3.42Å; L156-M173 HydrophobicContact CD1-CB 4.27Å; L156-M173 HydrophobicContact CD1-CG 3.89Å; L156-L177 HydrophobicContact CD1-CD1 3.72Å
157E97.9Very high95.9Very high12 Ų1252.4 Ų52.46%0.05626%0.261CS..Hα-helixtrans-60-48.6176-75.5169.7-173.200112V93 A153 T154 W155 L159 S160 S174 R178V93-E157 HydrophobicContact CG2-CB 3.63Å; V93-E157 HydrophobicContact CG2-CG 3.63Å; A153-E157 WeakPolarHBondContact O-CG 3.1Å; A153-E157 PolarHBondContact O-N 3.49Å; T154-E157 PolarHBondContact O-N 2.92Å; W155-E157 VanDerWaalsContact C-N 3.33Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.21Å; E157-S160 PolarHBondContact O-N 3.4Å; E157-S160 PolarHBondContact O-OG 2.96Å; E157-S174 VanDerWaalsContact CD-OG 3.26Å; E157-S174 WeakPolarHBondContact CG-OG 3.36Å; E157-S174 PolarHBondContact OE1-OG 3.08Å; E157-R178 IonicContact OE1-CZ 2.78Å; E157-R178 IonicContact OE1-NE 2.72Å; E157-R178 PolarHBondContact OE1-NE 3.24Å; E157-R178 IonicContact OE1-NH2 2.8Å; E157-R178 PolarHBondContact OE1-NH2 3.09Å; E157-R178 IonicContact OE2-CZ 3.99Å; E157-R178 IonicContact OE2-NE 2.64Å; E157-R178 IonicContact OE2-NH2 3.81Å; E157-R178 PolarHBondContact OE2-NH2 2.76Å
158L97.5Very high96Very high15 Ų1555.2 Ų55.28%0.07928%0.275CS..Hα-helixtrans-60.4-39.7-179.2178.760.6000112.6A92 T154 W155 V238 C242A92-L158 HydrophobicContact CB-CD1 4.1Å; T154-L158 VanDerWaalsContact O-CB 3.29Å; T154-L158 WeakPolarHBondContact O-CB 3.42Å; T154-L158 PolarHBondContact O-N 2.89Å; W155-L158 HydrophobicContact CE3-CD2 4.09Å; W155-L158 HydrophobicContact CH2-CD2 4.5Å; W155-L158 HydrophobicContact CZ3-CD2 3.99Å; W155-L158 PolarHBondContact O-N 3.31Å; L158-V238 HydrophobicContact CD1-CG1 3.58Å; L158-C242 HydrophobicContact CD2-CB 3.65Å
159L96.4Very high96.2Very high57 Ų5754.6 Ų54.630%0.29828%0.278SS..Hα-helixtrans-90.8-15.2-176.8-63.6177.2000113.5W155 L156 E157 P161 N162W155-L159 HydrophobicContact CE3-CD1 4.04Å; W155-L159 HydrophobicContact CE3-CG 4.19Å; W155-L159 WeakPolarHBondContact O-CB 3.36Å; W155-L159 WeakPolarHBondContact O-CG 3.44Å; W155-L159 PolarHBondContact O-N 3.33Å; L156-L159 PolarHBondContact O-N 3.44Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.21Å; L159-P161 VanDerWaalsContact C-N 3.33Å; L159-N162 WeakPolarHBondContact O-CB 3.34Å; L159-N162 PolarHBondContact O-N 2.98Å; L159-N162 PolarHBondContact O-ND2 3.48Å
160S96.8Very high96.3Very high0 Ų053.6 Ų53.60%028%0.275CS..G310 helixtrans-50.2-40.5-176.464.40000114.6L156 E157 N162 Y163 F167L156-S160 WeakPolarHBondContact O-CA 3.47Å; L156-S160 VanDerWaalsContact O-CB 3.24Å; L156-S160 WeakPolarHBondContact O-CB 3.46Å; L156-S160 PolarHBondContact O-N 3.01Å; E157-S160 PolarHBondContact O-N 3.4Å; E157-S160 PolarHBondContact O-OG 2.96Å; S160-N162 PolarHBondContact O-N 3.43Å; S160-N162 VanDerWaalsContact O-N 3.13Å; S160-Y163 PolarHBondContact O-N 3.04Å; S160-Y163 VanDerWaalsContact O-N 3.08Å; S160-F167 VanDerWaalsContact OG-CE2 3.26Å; S160-F167 WeakPolarHBondContact OG-CE2 3.34Å
161P93.7Very high96.3Very high25 Ų2553 Ų5316%0.16227%0.271CS..G310 helixtrans-69.2-14.3-178.1-19.235.5000113.7A92 L159 Y163A92-P161 HydrophobicContact CB-CG 4.22Å; A92-P161 WeakPolarHBondContact O-CG 3.36Å; L159-P161 VanDerWaalsContact C-N 3.33Å; P161-Y163 PolarHBondContact O-N 3.45Å
162N93Very high96.3Very high70 Ų7053.7 Ų53.737%0.37428%0.277SS..G310 helixtrans-78.1-12.5176.4-55.6-50.7000112.5L159 S160L159-N162 WeakPolarHBondContact O-CB 3.34Å; L159-N162 PolarHBondContact O-N 2.98Å; L159-N162 PolarHBondContact O-ND2 3.48Å; S160-N162 PolarHBondContact O-N 3.43Å; S160-N162 VanDerWaalsContact O-N 3.13Å
163Y93.9Very high96.3Very high136 Ų13653.5 Ų53.553%0.53328%0.275SS..  trans-125.359.2-174.9-60.1-76.1000110S160 P161 P165 F166 F167 I170S160-Y163 PolarHBondContact O-N 3.04Å; S160-Y163 VanDerWaalsContact O-N 3.08Å; P161-Y163 PolarHBondContact O-N 3.45Å; Y163-P165 VanDerWaalsContact C-CD 3.41Å; Y163-P165 VanDerWaalsContact C-N 3.34Å; Y163-P165 VanDerWaalsContact O-N 3.17Å; Y163-F166 CarbonylContact O-C 3.47Å; Y163-F166 PolarHBondContact O-N 3.43Å; Y163-F167 PolarHBondContact O-N 3.49Å; Y163-I170 HydrophobicContact CD2-CD1 4.17Å; Y163-I170 HydrophobicContact CG-CD1 4.27Å
164E89.1Confident96.3Very high160 Ų16053.5 Ų53.575%0.74828%0.275SS*.G310 helixtrans-45.9-46.1-174.6-62.6176.8-174.900114.2F166 F167E164-F166 PolarHBondContact O-N 2.92Å; E164-F166 VanDerWaalsContact O-N 3.15Å; E164-F167 WeakPolarHBondContact O-CB 3.48Å; E164-F167 PolarHBondContact O-N 3.31Å
165P92.8Very high96.3Very high118 Ų11854.3 Ų54.377%0.76628%0.28SS*.G310 helixtrans-63.5-24.3-179.3-22.234.8000114.2Y163Y163-P165 VanDerWaalsContact C-CD 3.41Å; Y163-P165 VanDerWaalsContact C-N 3.34Å; Y163-P165 VanDerWaalsContact O-N 3.17Å
166F95.2Very high96.3Very high137 Ų13753.9 Ų53.960%0.60128%0.282SS*.G310 helixtrans-110.17.2-178.3-60-70.9000112.7Y163 E164 L168 A169 I170Y163-F166 CarbonylContact O-C 3.47Å; Y163-F166 PolarHBondContact O-N 3.43Å; E164-F166 PolarHBondContact O-N 2.92Å; E164-F166 VanDerWaalsContact O-N 3.15Å; F166-L168 PolarHBondContact O-N 3.13Å; F166-A169 PolarHBondContact O-N 3.32Å; F166-I170 HydrophobicContact CB-CD1 4.12Å; F166-I170 HydrophobicContact CB-CG1 4.37Å; F166-I170 WeakPolarHBondContact O-CG1 3.42Å; F166-I170 PolarHBondContact O-N 3.42Å
167F96.5Very high96.3Very high18 Ų1852.3 Ų52.38%0.07927%0.274CS..Hα-helixtrans-52.1-51.2-173.8175.1-99.8000112.4V93 G96 V97 T112 S160 Y163 E164 A169 I170 V171V93-F167 HydrophobicContact CG1-CZ 4.39Å; G96-F167 VanDerWaalsContact C-CZ 3.41Å; G96-F167 VanDerWaalsContact CA-CE2 3.48Å; V97-F167 HydrophobicContact CG1-CE1 3.65Å; V97-F167 HydrophobicContact CG1-CZ 3.84Å; T112-F167 HydrophobicContact CG2-CD1 4.47Å; T112-F167 HydrophobicContact CG2-CE1 3.98Å; S160-F167 VanDerWaalsContact OG-CE2 3.26Å; S160-F167 WeakPolarHBondContact OG-CE2 3.34Å; Y163-F167 PolarHBondContact O-N 3.49Å; E164-F167 WeakPolarHBondContact O-CB 3.48Å; E164-F167 PolarHBondContact O-N 3.31Å; F167-A169 PolarHBondContact O-N 3.49Å; F167-I170 PolarHBondContact O-N 2.92Å; F167-V171 HydrophobicContact CD2-CG2 4.2Å; F167-V171 HydrophobicContact CE1-CG2 4.14Å; F167-V171 HydrophobicContact CE2-CG2 3.75Å; F167-V171 HydrophobicContact CZ-CG2 3.72Å; F167-V171 WeakPolarHBondContact O-CG2 3.29Å; F167-V171 PolarHBondContact O-N 2.86Å
168L96.9Very high96.2Very high70 Ų7055.5 Ų55.537%0.36629%0.286SS..Hα-helixtrans-56.9-47.4177.9175.163.8000111.8T112 L115 F166 I170 V171 C172T112-L168 HydrophobicContact CG2-CD1 3.86Å; L115-L168 HydrophobicContact CB-CD1 4.1Å; L115-L168 HydrophobicContact CD1-CD1 4.12Å; L115-L168 HydrophobicContact CD1-CD2 4Å; F166-L168 PolarHBondContact O-N 3.13Å; L168-I170 PolarHBondContact O-N 3.39Å; L168-V171 PolarHBondContact O-N 3.26Å; L168-C172 WeakPolarHBondContact O-CB 3.39Å; L168-C172 PolarHBondContact O-N 3.16Å; L168-C172 PolarHBondContact O-SG 3.36Å
169A97.5Very high96.2Very high63 Ų6355.3 Ų55.352%0.52129%0.286SS..Hα-helixtrans-63.6-41.5-179.200000111.9F166 F167 M173F166-A169 PolarHBondContact O-N 3.32Å; F167-A169 PolarHBondContact O-N 3.49Å; A169-M173 WeakPolarHBondContact O-CB 3.42Å; A169-M173 PolarHBondContact O-N 2.86Å
170I98Very high96.1Very high30 Ų3054.1 Ų54.115%0.15428%0.279CS..Hα-helixtrans-64-44.9177.9-66.7167.8000110.8L156 Y163 F166 F167 L168 M173 S174L156-I170 HydrophobicContact CB-CG2 3.86Å; L156-I170 HydrophobicContact CD2-CG2 4.2Å; L156-I170 VanDerWaalsContact O-CG2 3.32Å; L156-I170 WeakPolarHBondContact O-CG2 3.42Å; Y163-I170 HydrophobicContact CD2-CD1 4.17Å; Y163-I170 HydrophobicContact CG-CD1 4.27Å; F166-I170 HydrophobicContact CB-CD1 4.12Å; F166-I170 HydrophobicContact CB-CG1 4.37Å; F166-I170 WeakPolarHBondContact O-CG1 3.42Å; F166-I170 PolarHBondContact O-N 3.42Å; F167-I170 PolarHBondContact O-N 2.92Å; L168-I170 PolarHBondContact O-N 3.39Å; I170-M173 WeakPolarHBondContact O-CB 3.2Å; I170-M173 PolarHBondContact O-N 3.48Å; I170-S174 PolarHBondContact O-N 3.28Å
171V97.7Very high96Very high1 Ų155.1 Ų55.11%0.00629%0.286CS..Hα-helixtrans-69.9-38.4-1791720000111.4V93 R116 F167 L168 S174 S175V93-V171 HydrophobicContact CG2-CG2 4.43Å; R116-V171 HydrophobicContact CB-CG1 4.04Å; R116-V171 HydrophobicContact CG-CG1 3.58Å; F167-V171 HydrophobicContact CD2-CG2 4.2Å; F167-V171 HydrophobicContact CE1-CG2 4.14Å; F167-V171 HydrophobicContact CE2-CG2 3.75Å; F167-V171 HydrophobicContact CZ-CG2 3.72Å; F167-V171 WeakPolarHBondContact O-CG2 3.29Å; F167-V171 PolarHBondContact O-N 2.86Å; L168-V171 PolarHBondContact O-N 3.26Å; V171-S174 WeakPolarHBondContact O-CB 3.43Å; V171-S174 PolarHBondContact O-N 3.46Å; V171-S175 PolarHBondContact O-N 3.46Å
172C98.1Very high96Very high23 Ų2355.8 Ų55.816%0.15530%0.297CS..Hα-helixtrans-61.2-43.6169.7-69.80000111.7S119 L168 S174 S175 I176S119-C172 PolarHBondContact OG-O 2.86Å; L168-C172 WeakPolarHBondContact O-CB 3.39Å; L168-C172 PolarHBondContact O-N 3.16Å; L168-C172 PolarHBondContact O-SG 3.36Å; C172-S174 VanDerWaalsContact C-N 3.33Å; C172-S174 PolarHBondContact O-N 3.16Å; C172-S175 WeakPolarHBondContact O-CB 3.48Å; C172-S175 PolarHBondContact O-N 2.69Å; C172-S175 VanDerWaalsContact O-N 3.1Å; C172-I176 WeakPolarHBondContact O-CG1 3.26Å; C172-I176 PolarHBondContact O-N 3.14Å
173M98.1Very high96Very high79 Ų7954.1 Ų54.139%0.38929%0.288SS..Hα-helixtrans-61.4-41.2176.2-173.671.9-87.700111.7L156 A169 I170 S175 I176 L177L156-M173 HydrophobicContact CD1-CB 4.27Å; L156-M173 HydrophobicContact CD1-CG 3.89Å; A169-M173 WeakPolarHBondContact O-CB 3.42Å; A169-M173 PolarHBondContact O-N 2.86Å; I170-M173 WeakPolarHBondContact O-CB 3.2Å; I170-M173 PolarHBondContact O-N 3.48Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.48Å; M173-I176 HydrophobicContact CE-CB 3.57Å; M173-I176 HydrophobicContact CE-CD1 4Å; M173-I176 HydrophobicContact CE-CG1 4.36Å; M173-I176 HydrophobicContact CE-CG2 3.44Å; M173-I176 VanDerWaalsContact CE-CG2 3.44Å; M173-I176 PolarHBondContact O-N 3.16Å; M173-L177 HydrophobicContact CE-CD2 4.47Å; M173-L177 HydrophobicContact CE-CG 4.31Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 3.31Å
174S98.2Very high96Very high0 Ų047.8 Ų47.80%026%0.263CS..Hα-helixtrans-56.7-45171.6-179.20000111.9A153 E157 I170 V171 C172 I176 L177 R178A153-S174 WeakPolarHBondContact CB-OG 3.44Å; A153-S174 PolarHBondContact O-OG 3.44Å; A153-S174 VanDerWaalsContact O-OG 3.13Å; E157-S174 VanDerWaalsContact CD-OG 3.26Å; E157-S174 WeakPolarHBondContact CG-OG 3.36Å; E157-S174 PolarHBondContact OE1-OG 3.08Å; I170-S174 PolarHBondContact O-N 3.28Å; V171-S174 WeakPolarHBondContact O-CB 3.43Å; V171-S174 PolarHBondContact O-N 3.46Å; C172-S174 VanDerWaalsContact C-N 3.33Å; C172-S174 PolarHBondContact O-N 3.16Å; S174-I176 PolarHBondContact O-N 3.39Å; S174-L177 WeakPolarHBondContact O-CB 3.03Å; S174-L177 PolarHBondContact O-N 2.97Å; S174-L177 VanDerWaalsContact O-N 3.16Å; S174-R178 WeakPolarHBondContact O-CG 3.35Å; S174-R178 PolarHBondContact O-N 3.21Å
175S98.1Very high96.2Very high16 Ų1641.1 Ų41.111%0.11224%0.238CC..Hα-helixtrans-64.4-39.7-179.7-1630000112.8R116 V171 C172 M173 L177 R178 A179R116-S175 WeakPolarHBondContact O-CB 3.39Å; R116-S175 PolarHBondContact O-OG 2.86Å; V171-S175 PolarHBondContact O-N 3.46Å; C172-S175 WeakPolarHBondContact O-CB 3.48Å; C172-S175 PolarHBondContact O-N 2.69Å; C172-S175 VanDerWaalsContact O-N 3.1Å; M173-S175 VanDerWaalsContact C-N 3.32Å; M173-S175 PolarHBondContact O-N 3.48Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.86Å; S175-R178 PolarHBondContact O-N 3.44Å; S175-A179 PolarHBondContact O-N 2.71Å
176I98.2Very high96.2Very high54 Ų5439.9 Ų39.928%0.27723%0.228SC..Hα-helixtrans-60.3-43.7172.4-67.3169000110.9A123 C172 M173 S174 A179 I180A123-I176 HydrophobicContact CB-CB 4.04Å; A123-I176 HydrophobicContact CB-CG1 3.93Å; A123-I176 HydrophobicContact CB-CG2 3.76Å; C172-I176 WeakPolarHBondContact O-CG1 3.26Å; C172-I176 PolarHBondContact O-N 3.14Å; M173-I176 HydrophobicContact CE-CB 3.57Å; M173-I176 HydrophobicContact CE-CD1 4Å; M173-I176 HydrophobicContact CE-CG1 4.36Å; M173-I176 HydrophobicContact CE-CG2 3.44Å; M173-I176 VanDerWaalsContact CE-CG2 3.44Å; M173-I176 PolarHBondContact O-N 3.16Å; S174-I176 PolarHBondContact O-N 3.39Å; I176-A179 WeakPolarHBondContact O-CB 3.48Å; I176-A179 PolarHBondContact O-N 3.35Å; I176-I180 PolarHBondContact O-N 2.94Å
177L97.8Very high96Very high14 Ų1434.1 Ų34.17%0.07321%0.206CC..Hα-helixtrans-61.7-47.3174.2-67.6179.9000110.9F149 L152 A153 L156 M173 S174 S175 A179 I180 V181F149-L177 HydrophobicContact CD1-CD2 3.67Å; F149-L177 HydrophobicContact CE1-CD2 4.08Å; F149-L177 HydrophobicContact CG-CD2 4.39Å; L152-L177 HydrophobicContact CB-CD1 4.06Å; L152-L177 HydrophobicContact CD2-CD1 3.69Å; L152-L177 HydrophobicContact CG-CD1 3.62Å; A153-L177 HydrophobicContact CB-CB 3.9Å; A153-L177 HydrophobicContact CB-CD1 4.27Å; L156-L177 HydrophobicContact CD1-CD1 3.72Å; M173-L177 HydrophobicContact CE-CD2 4.47Å; M173-L177 HydrophobicContact CE-CG 4.31Å; M173-L177 WeakPolarHBondContact O-CG 3.31Å; M173-L177 PolarHBondContact O-N 3.31Å; S174-L177 WeakPolarHBondContact O-CB 3.03Å; S174-L177 PolarHBondContact O-N 2.97Å; S174-L177 VanDerWaalsContact O-N 3.16Å; S175-L177 VanDerWaalsContact C-N 3.34Å; S175-L177 PolarHBondContact O-N 2.86Å; L177-A179 PolarHBondContact O-N 2.87Å; L177-I180 HydrophobicContact CD2-CD1 4.43Å; L177-I180 WeakPolarHBondContact O-CB 3.19Å; L177-I180 PolarHBondContact O-N 2.99Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 2.89Å
178R97.1Very high95.9Very high80 Ų8033.3 Ų33.330%0.30220%0.203SC..Hα-helixtrans-59.1-32.6177-71.2-172.7177.8-70.3-1.9112.8N150 A153 T154 E157 S174 S175 V181 G182N150-R178 PolarHBondContact OD1-NH1 3.11Å; A153-R178 HydrophobicContact CB-CG 3.9Å; T154-R178 PolarHBondContact OG1-NH2 3.38Å; E157-R178 IonicContact OE1-CZ 2.78Å; E157-R178 IonicContact OE1-NE 2.72Å; E157-R178 PolarHBondContact OE1-NE 3.24Å; E157-R178 IonicContact OE1-NH2 2.8Å; E157-R178 PolarHBondContact OE1-NH2 3.09Å; E157-R178 IonicContact OE2-CZ 3.99Å; E157-R178 IonicContact OE2-NE 2.64Å; E157-R178 IonicContact OE2-NH2 3.81Å; E157-R178 PolarHBondContact OE2-NH2 2.76Å; S174-R178 WeakPolarHBondContact O-CG 3.35Å; S174-R178 PolarHBondContact O-N 3.21Å; S175-R178 PolarHBondContact O-N 3.44Å; R178-V181 WeakPolarHBondContact O-CB 3.36Å; R178-V181 PolarHBondContact O-N 2.84Å; R178-G182 PolarHBondContact O-N 2.94Å
179A96.5Very high95.7Very high11 Ų1133.3 Ų33.39%0.09120%0.198CC..Hα-helixtrans-63.9-41.9173.500000112.2G120 A123 Q124 S175 I176 L177 G182 L183G120-A179 VanDerWaalsContact O-CB 3.27Å; G120-A179 WeakPolarHBondContact O-CB 3.47Å; A123-A179 HydrophobicContact CB-CB 4.04Å; Q124-A179 HydrophobicContact CB-CB 4.08Å; S175-A179 PolarHBondContact O-N 2.71Å; I176-A179 WeakPolarHBondContact O-CB 3.48Å; I176-A179 PolarHBondContact O-N 3.35Å; L177-A179 PolarHBondContact O-N 2.87Å; A179-G182 PolarHBondContact O-N 3.34Å; A179-L183 PolarHBondContact O-N 3.42Å
180I94.2Very high95.6Very high31 Ų3134.3 Ų34.316%0.15920%0.198CC..Hα-helixtrans-62-46.4173.4-61.2164.9000110.1V127 F149 I176 L177 G182 L183 A184V127-I180 HydrophobicContact CB-CG1 4.5Å; V127-I180 HydrophobicContact CG1-CG1 4.15Å; V127-I180 HydrophobicContact CG2-CD1 4.44Å; V127-I180 HydrophobicContact CG2-CG1 3.67Å; F149-I180 HydrophobicContact CD2-CG2 3.82Å; F149-I180 HydrophobicContact CE2-CG2 4.04Å; I176-I180 PolarHBondContact O-N 2.94Å; L177-I180 HydrophobicContact CD2-CD1 4.43Å; L177-I180 WeakPolarHBondContact O-CB 3.19Å; L177-I180 PolarHBondContact O-N 2.99Å; I180-G182 PolarHBondContact O-N 3.33Å; I180-L183 PolarHBondContact O-N 3.02Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 3.25Å
181V95.7Very high95.3Very high22 Ų2234 Ų3413%0.13320%0.199CC..Hα-helixtrans-57.4-48177.3178.60000111A146 F149 N150 L177 R178 L183 A184 G185A146-V181 HydrophobicContact CB-CG1 4.35Å; A146-V181 VanDerWaalsContact O-CG2 3.26Å; A146-V181 WeakPolarHBondContact O-CG2 3.42Å; F149-V181 HydrophobicContact CB-CG2 3.68Å; N150-V181 HydrophobicContact CB-CG1 3.95Å; N150-V181 HydrophobicContact CB-CG2 3.93Å; L177-V181 WeakPolarHBondContact O-CG2 3.3Å; L177-V181 PolarHBondContact O-N 2.89Å; R178-V181 WeakPolarHBondContact O-CB 3.36Å; R178-V181 PolarHBondContact O-N 2.84Å; V181-L183 VanDerWaalsContact C-N 3.33Å; V181-L183 PolarHBondContact O-N 3.24Å; V181-A184 PolarHBondContact O-N 3.37Å; V181-G185 WeakPolarHBondContact O-CA 3.5Å; V181-G185 PolarHBondContact O-N 3.45Å
182G94.1Very high95.2Very high38 Ų3834 Ų3439%0.39220%0.199SC..Hα-helixtrans-58.5-44.6-178.800000112.3R178 A179 I180 T186R178-G182 PolarHBondContact O-N 2.94Å; A179-G182 PolarHBondContact O-N 3.34Å; I180-G182 PolarHBondContact O-N 3.33Å; G182-T186 VanDerWaalsContact O-CB 3.31Å; G182-T186 WeakPolarHBondContact O-CB 3.38Å; G182-T186 PolarHBondContact O-N 3.33Å; G182-T186 VanDerWaalsContact O-N 3.08Å; G182-T186 PolarHBondContact O-OG1 3.48Å
183L93.3Very high95.1Very high36 Ų3633.1 Ų33.119%0.18819%0.193CC..Hα-helixtrans-68.6-52.1178.2-175.870.8000112.1V127 A128 L135 A179 I180 V181 G185 T186 A187V127-L183 HydrophobicContact CB-CD2 4.41Å; V127-L183 HydrophobicContact CG1-CD2 3.78Å; A128-L183 HydrophobicContact CB-CD1 4.45Å; A128-L183 HydrophobicContact CB-CD2 4.12Å; L135-L183 HydrophobicContact CD1-CD1 4.28Å; L135-L183 HydrophobicContact CD1-CD2 3.76Å; L135-L183 HydrophobicContact CD1-CG 3.7Å; A179-L183 PolarHBondContact O-N 3.42Å; I180-L183 PolarHBondContact O-N 3.02Å; V181-L183 VanDerWaalsContact C-N 3.33Å; V181-L183 PolarHBondContact O-N 3.24Å; L183-G185 PolarHBondContact O-N 3.21Å; L183-T186 PolarHBondContact O-N 2.9Å; L183-A187 WeakPolarHBondContact O-CB 3.4Å; L183-A187 PolarHBondContact O-N 3.39Å
184A92.8Very high95Very high2 Ų235.2 Ų35.22%0.01720%0.202CC..Hα-helixtrans-65.3-39.1-177.800000112.1L135 W142 A146 I180 V181 S188L135-A184 HydrophobicContact CD2-CB 4.32Å; W142-A184 HydrophobicContact CE3-CB 4.1Å; A146-A184 HydrophobicContact CB-CB 3.92Å; I180-A184 WeakPolarHBondContact O-CB 3.39Å; I180-A184 PolarHBondContact O-N 3.25Å; V181-A184 PolarHBondContact O-N 3.37Å; A184-S188 VanDerWaalsContact O-CB 3.31Å; A184-S188 WeakPolarHBondContact O-CB 3.39Å; A184-S188 PolarHBondContact O-N 3.34Å; A184-S188 PolarHBondContact O-OG 3.4Å
185G92.9Very high94.8Very high21 Ų2136.4 Ų36.422%0.21621%0.207CC..Hα-helixtrans-62.7-44.4175.100000112.1V181 L183 S188 R189V181-G185 WeakPolarHBondContact O-CA 3.5Å; V181-G185 PolarHBondContact O-N 3.45Å; L183-G185 PolarHBondContact O-N 3.21Å; G185-S188 PolarHBondContact O-OG 3.39Å; G185-S188 VanDerWaalsContact O-OG 3.06Å; G185-R189 VanDerWaalsContact O-CB 3.22Å; G185-R189 WeakPolarHBondContact O-CB 3.45Å; G185-R189 PolarHBondContact O-N 2.98Å
186T92.7Very high94.7Very high91 Ų9135.6 Ų35.656%0.55820%0.202SC*.Hα-helixtrans-65.1-50176.8-57.90000111.5G182 L183 S188 R189 T190G182-T186 VanDerWaalsContact O-CB 3.31Å; G182-T186 WeakPolarHBondContact O-CB 3.38Å; G182-T186 PolarHBondContact O-N 3.33Å; G182-T186 VanDerWaalsContact O-N 3.08Å; G182-T186 PolarHBondContact O-OG1 3.48Å; L183-T186 PolarHBondContact O-N 2.9Å; T186-S188 PolarHBondContact O-N 2.83Å; T186-R189 PolarHBondContact O-N 3.18Å; T186-T190 PolarHBondContact O-N 2.91Å; T186-T190 PolarHBondContact O-OG1 2.95Å; T186-T190 VanDerWaalsContact O-OG1 3.11Å
187A92.6Very high94.7Very high17 Ų1734 Ų3414%0.1420%0.197CC..Hα-helixtrans-61-48.9-178.500000112.2L135 L183 R189 T190 A191L135-A187 HydrophobicContact CB-CB 3.87Å; L135-A187 HydrophobicContact CD1-CB 3.99Å; L135-A187 HydrophobicContact CG-CB 4.37Å; L183-A187 WeakPolarHBondContact O-CB 3.4Å; L183-A187 PolarHBondContact O-N 3.39Å; A187-R189 VanDerWaalsContact C-N 3.27Å; A187-R189 PolarHBondContact O-N 2.92Å; A187-T190 PolarHBondContact O-N 3.44Å; A187-A191 PolarHBondContact O-N 3.32Å
188S93.1Very high94.5Very high1 Ų138.1 Ų38.11%0.00722%0.219CC..Hα-helixtrans-62.2-35.3177.154.70000112.2C139 R143 A184 G185 T186 A191 I192C139-S188 VanDerWaalsContact SG-CA 3.58Å; C139-S188 PolarHBondContact SG-O 3.49Å; C139-S188 VanDerWaalsContact SG-O 3.33Å; R143-S188 PolarHBondContact NE-OG 3.35Å; R143-S188 PolarHBondContact NH2-OG 3.44Å; R143-S188 VanDerWaalsContact NH2-OG 3.08Å; A184-S188 VanDerWaalsContact O-CB 3.31Å; A184-S188 WeakPolarHBondContact O-CB 3.39Å; A184-S188 PolarHBondContact O-N 3.34Å; A184-S188 PolarHBondContact O-OG 3.4Å; G185-S188 PolarHBondContact O-OG 3.39Å; G185-S188 VanDerWaalsContact O-OG 3.06Å; T186-S188 PolarHBondContact O-N 2.83Å; S188-A191 PolarHBondContact O-N 2.76Å; S188-I192 WeakPolarHBondContact O-CB 3.37Å; S188-I192 WeakPolarHBondContact O-CD1 3.13Å; S188-I192 VanDerWaalsContact O-CG1 3.22Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.31Å
189R93.8Very high94.3Very high69 Ų6938.3 Ų38.326%0.2623%0.231SC..Hα-helixtrans-66.1-48.7177.3-176.7-173.2-65.4-130.512.2110.4G185 T186 A187 A191 I192 T193 D209 E213G185-R189 VanDerWaalsContact O-CB 3.22Å; G185-R189 WeakPolarHBondContact O-CB 3.45Å; G185-R189 PolarHBondContact O-N 2.98Å; T186-R189 PolarHBondContact O-N 3.18Å; A187-R189 VanDerWaalsContact C-N 3.27Å; A187-R189 PolarHBondContact O-N 2.92Å; R189-A191 VanDerWaalsContact C-N 3.3Å; R189-A191 PolarHBondContact O-N 2.84Å; R189-I192 PolarHBondContact O-N 2.76Å; R189-I192 VanDerWaalsContact O-N 3.15Å; R189-T193 WeakPolarHBondContact O-CB 3.25Å; R189-T193 PolarHBondContact O-N 2.78Å; R189-T193 PolarHBondContact O-OG1 2.94Å; R189-D209 IonicContact CZ-OD2 3.42Å; R189-D209 IonicContact NE-OD2 3.84Å; R189-D209 IonicContact NH1-OD2 3.05Å; R189-D209 PolarHBondContact NH1-OD2 3.39Å; R189-E213 IonicContact CZ-OE2 3.61Å; R189-E213 IonicContact NH1-OE2 3.97Å; R189-E213 PolarHBondContact NH1-OE2 3.06Å; R189-E213 IonicContact NH2-OE1 2.8Å; R189-E213 PolarHBondContact NH2-OE1 3.09Å; R189-E213 IonicContact NH2-OE2 3.46Å; R189-E213 PolarHBondContact NH2-OE2 3.1Å
190T93.9Very high94.1Very high85 Ų8546 Ų4652%0.52127%0.27SS..Hα-helixtrans-53.9-48176-59.60000111.4T186 A187 I192 T193 Q194T186-T190 PolarHBondContact O-N 2.91Å; T186-T190 PolarHBondContact O-OG1 2.95Å; T186-T190 VanDerWaalsContact O-OG1 3.11Å; A187-T190 PolarHBondContact O-N 3.44Å; T190-I192 PolarHBondContact O-N 2.74Å; T190-T193 PolarHBondContact O-N 3.45Å; T190-Q194 WeakPolarHBondContact O-CB 3.47Å; T190-Q194 PolarHBondContact O-N 3.44Å
191A93.2Very high94.2Very high22 Ų2245.4 Ų45.418%0.18227%0.268CS..Hα-helixtrans-63.5-40.7178.400000113.1C139 A187 S188 R189 H195C139-A191 HydrophobicContact CB-CB 4.11Å; A187-A191 PolarHBondContact O-N 3.32Å; S188-A191 PolarHBondContact O-N 2.76Å; R189-A191 VanDerWaalsContact C-N 3.3Å; R189-A191 PolarHBondContact O-N 2.84Å; A191-H195 WeakPolarHBondContact O-CB 3.23Å; A191-H195 PolarHBondContact O-N 3.44Å
192I95.4Very high94.2Very high1 Ų148.4 Ų48.41%0.00528%0.283CS..Hα-helixtrans-65.9-47.1176.5-71.1166.2000110.8Y71 S188 R189 T190 Q194 H195 Q196 L260 F262Y71-I192 HydrophobicContact CD1-CG2 4.47Å; Y71-I192 HydrophobicContact CE1-CG2 4.08Å; Y71-I192 HydrophobicContact CE2-CD1 3.82Å; Y71-I192 HydrophobicContact CE2-CG2 4.32Å; S188-I192 WeakPolarHBondContact O-CB 3.37Å; S188-I192 WeakPolarHBondContact O-CD1 3.13Å; S188-I192 VanDerWaalsContact O-CG1 3.22Å; S188-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 PolarHBondContact O-N 3.31Å; R189-I192 PolarHBondContact O-N 2.76Å; R189-I192 VanDerWaalsContact O-N 3.15Å; T190-I192 PolarHBondContact O-N 2.74Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 2.9Å; I192-H195 WeakPolarHBondContact O-CB 3.31Å; I192-H195 PolarHBondContact O-N 2.71Å; I192-Q196 HydrophobicContact CG2-CG 4.24Å; I192-Q196 WeakPolarHBondContact O-CB 3.49Å; I192-Q196 VanDerWaalsContact O-CG 3.29Å; I192-Q196 WeakPolarHBondContact O-CG 3.4Å; I192-Q196 PolarHBondContact O-N 2.99Å; I192-L260 HydrophobicContact CD1-CD1 3.69Å; I192-L260 HydrophobicContact CG1-CD1 3.82Å; I192-L260 HydrophobicContact CG1-CD2 4.44Å; I192-L260 HydrophobicContact CG2-CD2 4.04Å; I192-F262 HydrophobicContact CG1-CZ 3.74Å
193T96.1Very high94.3Very high5 Ų550.4 Ų50.43%0.03130%0.296CS..Hα-helixtrans-63.4-39.7179.9-530000111.1R189 T190 Q196 A197 L202 V205R189-T193 WeakPolarHBondContact O-CB 3.25Å; R189-T193 PolarHBondContact O-N 2.78Å; R189-T193 PolarHBondContact O-OG1 2.94Å; T190-T193 PolarHBondContact O-N 3.45Å; T193-Q196 PolarHBondContact O-N 3.31Å; T193-A197 PolarHBondContact O-N 2.89Å; T193-A197 VanDerWaalsContact O-N 3.14Å; T193-L202 HydrophobicContact CG2-CD1 3.76Å; T193-V205 HydrophobicContact CG2-CB 4.12Å; T193-V205 HydrophobicContact CG2-CG1 3.8Å
194Q94.8Very high94.5Very high124 Ų12450.5 Ų50.558%0.57930%0.296SS*.Hα-helixtrans-62.4-44.9173.4-177.9177.2-10.200112T190 I192 Q196 A197 L202T190-Q194 WeakPolarHBondContact O-CB 3.47Å; T190-Q194 PolarHBondContact O-N 3.44Å; I192-Q194 VanDerWaalsContact C-N 3.32Å; I192-Q194 PolarHBondContact O-N 2.9Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 3.46Å; Q194-A197 PolarHBondContact O-N 2.64Å; Q194-L202 HydrophobicContact CB-CD1 4.42Å
195H94.7Very high94.7Very high24 Ų2450.4 Ų50.411%0.11130%0.295CS..Hα-helixtrans-60.9-40.8174.6164.672000111.9T65 D67 A191 I192 A197 R261 F262T65-H195 WeakPolarHBondContact CG2-O 3.4Å; D67-H195 IonicContact OD1-NE2 3.1Å; D67-H195 IonicContact OD2-CD2 2.87Å; D67-H195 IonicContact OD2-CE1 2.71Å; D67-H195 IonicContact OD2-NE2 3.75Å; D67-H195 PolarHBondContact OD2-NE2 3.33Å; A191-H195 WeakPolarHBondContact O-CB 3.23Å; A191-H195 PolarHBondContact O-N 3.44Å; I192-H195 WeakPolarHBondContact O-CB 3.31Å; I192-H195 PolarHBondContact O-N 2.71Å; H195-A197 VanDerWaalsContact C-N 3.33Å; H195-A197 PolarHBondContact O-N 3.05Å; H195-R261 PolarHBondContact CE1-O 3.08Å; H195-F262 HydrophobicContact CB-CD1 3.58Å; H195-F262 HydrophobicContact CB-CE1 3.47Å; H195-F262 VanDerWaalsContact CB-CE1 3.47Å; H195-F262 AromaticContact CG-CD1 3.45Å; H195-F262 VanDerWaalsContact CG-CD1 3.45Å; H195-F262 AromaticContact CG-CE1 3.73Å; H195-F262 AromaticContact ND1-CD1 3.7Å
196Q96.9Very high94.9Very high0 Ų052 Ų520%030%0.304CS..Hα-helixtrans-72.4-21.5-176.7-74.6174.9-9.500114.1V64 T65 Y68 Y71 I192 T193 Q194 V205V64-Q196 WeakPolarHBondContact CA-O 3.39Å; V64-Q196 WeakPolarHBondContact CB-O 3.17Å; T65-Q196 PolarHBondContact N-O 2.8Å; T65-Q196 WeakPolarHBondContact OG1-CA 3.29Å; Y68-Q196 HydrophobicContact CD2-CB 4.18Å; Y68-Q196 HydrophobicContact CD2-CG 4.12Å; Y71-Q196 VanDerWaalsContact CD1-NE2 3.32Å; I192-Q196 HydrophobicContact CG2-CG 4.24Å; I192-Q196 WeakPolarHBondContact O-CB 3.49Å; I192-Q196 VanDerWaalsContact O-CG 3.29Å; I192-Q196 WeakPolarHBondContact O-CG 3.4Å; I192-Q196 PolarHBondContact O-N 2.99Å; T193-Q196 PolarHBondContact O-N 3.31Å; Q194-Q196 VanDerWaalsContact C-N 3.3Å; Q194-Q196 PolarHBondContact O-N 3.46Å; Q196-V205 HydrophobicContact CB-CG1 4.11Å
197A96.9Very high95.2Very high21 Ų2150.4 Ų50.417%0.17430%0.3CS..BIsolated β-bridgetrans-85.8112.9-17800000112.2T193 Q194 H195 L202 V205T193-A197 PolarHBondContact O-N 2.89Å; T193-A197 VanDerWaalsContact O-N 3.14Å; Q194-A197 PolarHBondContact O-N 2.64Å; H195-A197 VanDerWaalsContact C-N 3.33Å; H195-A197 PolarHBondContact O-N 3.05Å; A197-L202 HydrophobicContact CB-CB 4.21Å; A197-L202 HydrophobicContact CB-CD1 4.32Å; A197-V205 HydrophobicContact CB-CG2 4.1Å
198L94.7Very high95.3Very high100 Ų10051.2 Ų51.252%0.52430%0.3SS..  trans-100.9-24.7-178.3-65.9-176.6000114.5S63 V64 T65 N201S63-L198 PolarHBondContact O-N 3.15Å; V64-L198 VanDerWaalsContact C-CD1 3.48Å; V64-L198 WeakPolarHBondContact O-CD1 3.34Å; T65-L198 HydrophobicContact CG2-CD1 4.3Å; T65-L198 HydrophobicContact CG2-CD2 3.75Å; T65-L198 HydrophobicContact CG2-CG 4.03Å; L198-N201 PolarHBondContact N-OD1 3.35Å
199C91.9Very high95.5Very high84 Ų8451.3 Ų51.357%0.56830%0.301SS*.SBendtrans-114.438.5-169.4-67.60000112.5N201C199-N201 PolarHBondContact N-OD1 3Å; C199-N201 PolarHBondContact O-N 3Å; C199-N201 VanDerWaalsContact O-N 3.09Å
200N92.9Very high95.6Very high171 Ų17150.9 Ų50.991%0.91431%0.308SS*.SBendtrans51.431.4-171.1-64.3-22.8000112.6
201N95.1Very high95.7Very high20 Ų2048.3 Ų48.311%0.10730%0.296CS..  trans-102.827.2-175.261.6-35.7000112.3S63 L198 C199 A203 D204 V205S63-N201 WeakPolarHBondContact CB-ND2 3.35Å; S63-N201 PolarHBondContact O-ND2 3.27Å; S63-N201 PolarHBondContact O-OD1 2.77Å; L198-N201 PolarHBondContact N-OD1 3.35Å; C199-N201 PolarHBondContact N-OD1 3Å; C199-N201 PolarHBondContact O-N 3Å; C199-N201 VanDerWaalsContact O-N 3.09Å; N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.14Å; N201-D204 HydrophobicContact CB-CB 4.43Å; N201-D204 PolarHBondContact O-N 3.03Å; N201-V205 WeakPolarHBondContact ND2-CG2 3.11Å; N201-V205 WeakPolarHBondContact O-CG2 3.28Å; N201-V205 PolarHBondContact O-N 2.93Å
202L96.4Very high95.9Very high84 Ų8448.1 Ų48.144%0.4429%0.291SS..Hα-helixtrans-52.7-46.4-175.1177.757.3000112.9T193 Q194 A197 D204 V205 S206T193-L202 HydrophobicContact CG2-CD1 3.76Å; Q194-L202 HydrophobicContact CB-CD1 4.42Å; A197-L202 HydrophobicContact CB-CB 4.21Å; A197-L202 HydrophobicContact CB-CD1 4.32Å; L202-D204 VanDerWaalsContact C-N 3.35Å; L202-D204 PolarHBondContact O-N 2.95Å; L202-V205 PolarHBondContact O-N 3.12Å; L202-S206 VanDerWaalsContact O-CB 3.31Å; L202-S206 WeakPolarHBondContact O-CB 3.43Å; L202-S206 PolarHBondContact O-N 2.95Å
203A97.2Very high95.9Very high81 Ų8151 Ų5167%0.66930%0.304SS*.Hα-helixtrans-65.1-37.5179.600000112.6N201 A207N201-A203 VanDerWaalsContact C-N 3.32Å; N201-A203 PolarHBondContact O-N 3.14Å; A203-A207 VanDerWaalsContact O-CB 3.32Å; A203-A207 WeakPolarHBondContact O-CB 3.33Å; A203-A207 PolarHBondContact O-N 2.72Å
204D96.8Very high96Very high37 Ų3754.9 Ų54.920%0.19833%0.328CS..Hα-helixtrans-68.3-48.6176.518043.6000110.5P57 V58 N201 L202 S206 A207 K208P57-D204 VanDerWaalsContact CA-OD2 3.3Å; P57-D204 WeakPolarHBondContact CA-OD2 3.26Å; P57-D204 WeakPolarHBondContact CB-OD2 3.45Å; V58-D204 WeakPolarHBondContact CG2-OD2 3.43Å; V58-D204 PolarHBondContact N-OD2 2.91Å; N201-D204 HydrophobicContact CB-CB 4.43Å; N201-D204 PolarHBondContact O-N 3.03Å; L202-D204 VanDerWaalsContact C-N 3.35Å; L202-D204 PolarHBondContact O-N 2.95Å; D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 2.87Å; D204-A207 PolarHBondContact O-N 2.74Å; D204-K208 VanDerWaalsContact O-CG 3.27Å; D204-K208 WeakPolarHBondContact O-CG 3.47Å; D204-K208 PolarHBondContact O-N 2.86Å; D204-K208 WeakPolarHBondContact OD1-CE 3.43Å
205V97.6Very high96.1Very high0 Ų052.6 Ų52.60%032%0.32CS..Hα-helixtrans-56.4-45.4175.9-179.90000110.9P57 V64 Y68 T193 Q196 A197 N201 L202 K208 D209P57-V205 HydrophobicContact CB-CG2 4.29Å; P57-V205 HydrophobicContact CG-CG2 4.1Å; V64-V205 HydrophobicContact CG1-CG2 3.88Å; Y68-V205 HydrophobicContact CE2-CG1 4.14Å; T193-V205 HydrophobicContact CG2-CB 4.12Å; T193-V205 HydrophobicContact CG2-CG1 3.8Å; Q196-V205 HydrophobicContact CB-CG1 4.11Å; A197-V205 HydrophobicContact CB-CG2 4.1Å; N201-V205 WeakPolarHBondContact ND2-CG2 3.11Å; N201-V205 WeakPolarHBondContact O-CG2 3.28Å; N201-V205 PolarHBondContact O-N 2.93Å; L202-V205 PolarHBondContact O-N 3.12Å; V205-K208 PolarHBondContact O-N 3.11Å; V205-D209 WeakPolarHBondContact O-CB 3.29Å; V205-D209 PolarHBondContact O-N 2.97Å
206S97.2Very high96.3Very high56 Ų5652.4 Ų52.439%0.39232%0.32SS..Hα-helixtrans-60.7-46.4176.5-170.30000112.7L202 D204 K208 D209 S210L202-S206 VanDerWaalsContact O-CB 3.31Å; L202-S206 WeakPolarHBondContact O-CB 3.43Å; L202-S206 PolarHBondContact O-N 2.95Å; D204-S206 VanDerWaalsContact C-N 3.29Å; D204-S206 PolarHBondContact O-N 2.87Å; S206-K208 VanDerWaalsContact C-N 3.31Å; S206-K208 PolarHBondContact O-N 2.78Å; S206-D209 PolarHBondContact O-N 2.73Å; S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 2.85Å
207A97.3Very high96.3Very high57 Ų5755.2 Ų55.247%0.47134%0.335SS..Hα-helixtrans-63.9-3717800000112.1A203 D204 A211A203-A207 VanDerWaalsContact O-CB 3.32Å; A203-A207 WeakPolarHBondContact O-CB 3.33Å; A203-A207 PolarHBondContact O-N 2.72Å; D204-A207 PolarHBondContact O-N 2.74Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.18Å
208K96.4Very high96.4Very high33 Ų3359.7 Ų59.714%0.14335%0.351CS..Hα-helixtrans-70.3-43.2177-66.8-39.3-174.9-176.10112.9T53 A54 L56 P57 D204 V205 S206 A211 Q212T53-K208 WeakPolarHBondContact O-CE 3.26Å; T53-K208 PolarHBondContact O-NZ 3.06Å; A54-K208 VanDerWaalsContact O-CD 3.28Å; A54-K208 WeakPolarHBondContact O-CD 3.44Å; A54-K208 PolarHBondContact O-NZ 3.07Å; L56-K208 WeakPolarHBondContact O-CE 3.44Å; P57-K208 HydrophobicContact CG-CB 4.19Å; P57-K208 HydrophobicContact CG-CG 4.04Å; D204-K208 VanDerWaalsContact O-CG 3.27Å; D204-K208 WeakPolarHBondContact O-CG 3.47Å; D204-K208 PolarHBondContact O-N 2.86Å; D204-K208 WeakPolarHBondContact OD1-CE 3.43Å; V205-K208 PolarHBondContact O-N 3.11Å; S206-K208 VanDerWaalsContact C-N 3.31Å; S206-K208 PolarHBondContact O-N 2.78Å; K208-A211 PolarHBondContact O-N 3.26Å; K208-Q212 VanDerWaalsContact O-CG 3.29Å; K208-Q212 WeakPolarHBondContact O-CG 3.11Å; K208-Q212 PolarHBondContact O-N 3.12Å
209D96Very high96.6Very high4 Ų458.4 Ų58.42%0.02135%0.347CS..Hα-helixtrans-55.4-51.1172.4-177.376.7000110.9Q72 R189 V205 S206 A211 Q212 E213Q72-D209 PolarHBondContact NE2-OD1 3.13Å; Q72-D209 PolarHBondContact OE1-OD1 3.31Å; R189-D209 IonicContact CZ-OD2 3.42Å; R189-D209 IonicContact NE-OD2 3.84Å; R189-D209 IonicContact NH1-OD2 3.05Å; R189-D209 PolarHBondContact NH1-OD2 3.39Å; V205-D209 WeakPolarHBondContact O-CB 3.29Å; V205-D209 PolarHBondContact O-N 2.97Å; S206-D209 PolarHBondContact O-N 2.73Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 2.83Å; D209-Q212 WeakPolarHBondContact O-CB 3.13Å; D209-Q212 PolarHBondContact O-N 3Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; D209-E213 PolarHBondContact O-N 3.04Å
210S96.1Very high96.9Very high59 Ų5954.4 Ų54.441%0.41332%0.32SS..Hα-helixtrans-60.7-39.3177.1-178.60000113.1S206 T214S206-S210 WeakPolarHBondContact O-CB 3.48Å; S206-S210 PolarHBondContact O-N 2.85Å; S210-T214 WeakPolarHBondContact O-CB 3.32Å; S210-T214 PolarHBondContact O-N 3.49Å; S210-T214 PolarHBondContact O-OG1 2.66Å
211A97.1Very high97.1Very high32 Ų3250.4 Ų50.426%0.26430%0.298SS..Hα-helixtrans-66.1-39.9175.500000112.4F55 A207 K208 D209 T214 L215F55-A211 HydrophobicContact CD1-CB 4.21Å; F55-A211 HydrophobicContact CE1-CB 4.33Å; A207-A211 WeakPolarHBondContact O-CB 3.34Å; A207-A211 PolarHBondContact O-N 3.18Å; K208-A211 PolarHBondContact O-N 3.26Å; D209-A211 VanDerWaalsContact C-N 3.34Å; D209-A211 PolarHBondContact O-N 2.83Å; A211-T214 PolarHBondContact O-N 2.86Å; A211-L215 PolarHBondContact O-N 3.25Å
212Q97Very high97.3Very high18 Ų1853.7 Ų53.78%0.08432%0.315CS..Hα-helixtrans-63.4-49.2176.5-72.2173.717.700111F55 Y68 K208 D209 T214 L215 V216F55-Q212 HydrophobicContact CB-CG 4.11Å; F55-Q212 HydrophobicContact CD1-CG 4.12Å; F55-Q212 PolarHBondContact O-NE2 3.17Å; Y68-Q212 PolarHBondContact OH-NE2 2.98Å; K208-Q212 VanDerWaalsContact O-CG 3.29Å; K208-Q212 WeakPolarHBondContact O-CG 3.11Å; K208-Q212 PolarHBondContact O-N 3.12Å; D209-Q212 WeakPolarHBondContact O-CB 3.13Å; D209-Q212 PolarHBondContact O-N 3Å; D209-Q212 VanDerWaalsContact O-N 3.15Å; Q212-T214 VanDerWaalsContact C-N 3.32Å; Q212-T214 PolarHBondContact O-N 3.31Å; Q212-L215 WeakPolarHBondContact O-CB 3.36Å; Q212-L215 PolarHBondContact O-N 3.38Å; Q212-V216 WeakPolarHBondContact O-CG2 3.5Å; Q212-V216 PolarHBondContact O-N 3.49Å
213E95.9Very high97.4Very high60 Ų6055.2 Ų55.228%0.2832%0.315SS..Hα-helixtrans-60.8-41.3176.4-179.2-177.2-164.400112.1R189 D209 L215 V216 N217R189-E213 IonicContact CZ-OE2 3.61Å; R189-E213 IonicContact NH1-OE2 3.97Å; R189-E213 PolarHBondContact NH1-OE2 3.06Å; R189-E213 IonicContact NH2-OE1 2.8Å; R189-E213 PolarHBondContact NH2-OE1 3.09Å; R189-E213 IonicContact NH2-OE2 3.46Å; R189-E213 PolarHBondContact NH2-OE2 3.1Å; D209-E213 PolarHBondContact O-N 3.04Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.82Å; E213-V216 WeakPolarHBondContact O-CB 3.46Å; E213-V216 PolarHBondContact O-N 3.05Å; E213-N217 WeakPolarHBondContact O-CB 3.42Å; E213-N217 PolarHBondContact O-N 3.3Å; E213-N217 PolarHBondContact O-ND2 2.8Å
214T97.4Very high97.4Very high88 Ų8852 Ų5254%0.5429%0.287SS..Hα-helixtrans-61.2-42.8176.8-60.10000111.4S210 A211 Q212 V216 N217 F218S210-T214 WeakPolarHBondContact O-CB 3.32Å; S210-T214 PolarHBondContact O-N 3.49Å; S210-T214 PolarHBondContact O-OG1 2.66Å; A211-T214 PolarHBondContact O-N 2.86Å; Q212-T214 VanDerWaalsContact C-N 3.32Å; Q212-T214 PolarHBondContact O-N 3.31Å; T214-V216 VanDerWaalsContact C-N 3.34Å; T214-V216 PolarHBondContact O-N 3.08Å; T214-N217 PolarHBondContact O-N 3.48Å; T214-F218 WeakPolarHBondContact O-CB 3.33Å; T214-F218 PolarHBondContact O-N 2.66Å
215L97.5Very high97.5Very high76 Ų7655.7 Ų55.740%0.39831%0.306SS..Hα-helixtrans-60.5-45.4175.4175.866000111.2F55 A211 Q212 E213 F218 V219F55-L215 HydrophobicContact CD1-CD2 4.43Å; F55-L215 HydrophobicContact CE1-CB 3.87Å; F55-L215 HydrophobicContact CE1-CD2 3.84Å; F55-L215 HydrophobicContact CE1-CG 4.38Å; F55-L215 HydrophobicContact CE2-CD2 4.07Å; F55-L215 HydrophobicContact CZ-CB 4.22Å; F55-L215 HydrophobicContact CZ-CD1 4.4Å; F55-L215 HydrophobicContact CZ-CD2 3.65Å; F55-L215 HydrophobicContact CZ-CG 4.3Å; A211-L215 PolarHBondContact O-N 3.25Å; Q212-L215 WeakPolarHBondContact O-CB 3.36Å; Q212-L215 PolarHBondContact O-N 3.38Å; E213-L215 VanDerWaalsContact C-N 3.33Å; E213-L215 PolarHBondContact O-N 2.82Å; L215-F218 WeakPolarHBondContact O-CB 3.38Å; L215-F218 PolarHBondContact O-N 3.34Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 2.96Å
216V98Very high97.5Very high20 Ų2060.3 Ų60.312%0.12133%0.334CS..Hα-helixtrans-60.5-47177.6170.70000111S76 A79 F80 Q212 E213 T214 F218 V219 A220S76-V216 VanDerWaalsContact O-CG1 3.22Å; S76-V216 WeakPolarHBondContact O-CG1 3.35Å; A79-V216 HydrophobicContact CB-CG1 3.95Å; F80-V216 HydrophobicContact CB-CG1 3.8Å; Q212-V216 WeakPolarHBondContact O-CG2 3.5Å; Q212-V216 PolarHBondContact O-N 3.49Å; E213-V216 WeakPolarHBondContact O-CB 3.46Å; E213-V216 PolarHBondContact O-N 3.05Å; T214-V216 VanDerWaalsContact C-N 3.34Å; T214-V216 PolarHBondContact O-N 3.08Å; V216-F218 VanDerWaalsContact C-N 3.28Å; V216-F218 PolarHBondContact O-N 3.23Å; V216-V219 PolarHBondContact O-N 3.37Å; V216-V219 VanDerWaalsContact O-N 3.15Å; V216-A220 PolarHBondContact O-N 3.19Å
217N97.7Very high97.5Very high59 Ų5958.2 Ų58.232%0.31632%0.318SS..Hα-helixtrans-63.2-34177.3-80.2-39.7000112.3E213 T214 A220 L221E213-N217 WeakPolarHBondContact O-CB 3.42Å; E213-N217 PolarHBondContact O-N 3.3Å; E213-N217 PolarHBondContact O-ND2 2.8Å; T214-N217 PolarHBondContact O-N 3.48Å; N217-A220 PolarHBondContact O-N 3.21Å; N217-L221 WeakPolarHBondContact O-CB 3.45Å; N217-L221 PolarHBondContact O-N 3.41Å
218F98.2Very high97.5Very high114 Ų11457.5 Ų57.550%0.531%0.306SS..Hα-helixtrans-65.7-42.2172.3177.5-103000112.2T214 L215 V216 L221 L222T214-F218 WeakPolarHBondContact O-CB 3.33Å; T214-F218 PolarHBondContact O-N 2.66Å; L215-F218 WeakPolarHBondContact O-CB 3.38Å; L215-F218 PolarHBondContact O-N 3.34Å; V216-F218 VanDerWaalsContact C-N 3.28Å; V216-F218 PolarHBondContact O-N 3.23Å; F218-L221 HydrophobicContact CD2-CD2 4.33Å; F218-L221 WeakPolarHBondContact O-CB 3.31Å; F218-L221 PolarHBondContact O-N 2.72Å; F218-L222 HydrophobicContact CD1-CD1 4.36Å; F218-L222 HydrophobicContact CE1-CD1 3.75Å; F218-L222 HydrophobicContact CE1-CG 4.3Å; F218-L222 HydrophobicContact CZ-CD1 4.02Å; F218-L222 HydrophobicContact CZ-CD2 4.27Å; F218-L222 HydrophobicContact CZ-CG 4.25Å; F218-L222 WeakPolarHBondContact O-CG 3.31Å; F218-L222 PolarHBondContact O-N 2.79Å; F218-L222 VanDerWaalsContact O-N 3.09Å
219V98.4Very high97.5Very high73 Ų7360.3 Ų60.344%0.44233%0.328SS..Hα-helixtrans-64.2-43.1174.5174.90000110.9F80 L215 V216 L221 L222 W223F80-V219 HydrophobicContact CD2-CG1 4.48Å; F80-V219 HydrophobicContact CE2-CG1 4.13Å; L215-V219 WeakPolarHBondContact O-CG2 3.38Å; L215-V219 PolarHBondContact O-N 2.96Å; V216-V219 PolarHBondContact O-N 3.37Å; V216-V219 VanDerWaalsContact O-N 3.15Å; V219-L221 VanDerWaalsContact C-N 3.31Å; V219-L221 PolarHBondContact O-N 2.78Å; V219-L222 PolarHBondContact O-N 3.47Å; V219-W223 PolarHBondContact O-N 2.92Å
220A98.4Very high97.5Very high0 Ų065.9 Ų65.90%036%0.357CS..Hα-helixtrans-62.3-37.1174.900000112.2F80 S83 V216 N217 W223 N224F80-A220 HydrophobicContact CD2-CB 3.75Å; F80-A220 HydrophobicContact CE2-CB 3.98Å; S83-A220 VanDerWaalsContact OG-CB 3.29Å; S83-A220 WeakPolarHBondContact OG-CB 3.27Å; V216-A220 PolarHBondContact O-N 3.19Å; N217-A220 PolarHBondContact O-N 3.21Å; A220-W223 WeakPolarHBondContact O-CB 3.49Å; A220-W223 PolarHBondContact O-N 3.43Å; A220-N224 VanDerWaalsContact O-CB 3.27Å; A220-N224 WeakPolarHBondContact O-CB 3.31Å; A220-N224 PolarHBondContact O-N 3Å; A220-N224 PolarHBondContact O-ND2 3.08Å; A220-N224 VanDerWaalsContact O-ND2 3.15Å
221L98.1Very high97.5Very high87 Ų8764 Ų6446%0.45534%0.342SS..Hα-helixtrans-58.5-51.3172.6170.569.8000111.4N217 F218 V219 W223 N224 L225N217-L221 WeakPolarHBondContact O-CB 3.45Å; N217-L221 PolarHBondContact O-N 3.41Å; F218-L221 HydrophobicContact CD2-CD2 4.33Å; F218-L221 WeakPolarHBondContact O-CB 3.31Å; F218-L221 PolarHBondContact O-N 2.72Å; V219-L221 VanDerWaalsContact C-N 3.31Å; V219-L221 PolarHBondContact O-N 2.78Å; L221-W223 VanDerWaalsContact C-N 3.27Å; L221-W223 PolarHBondContact O-N 3.1Å; L221-N224 PolarHBondContact O-N 3.47Å; L221-N224 VanDerWaalsContact O-N 3.15Å; L221-L225 HydrophobicContact CD1-CD1 4.38Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.3Å; L221-L225 WeakPolarHBondContact O-CG 3.27Å; L221-L225 PolarHBondContact O-N 3.3Å
222L98.5Very high97.2Very high90 Ų9064 Ų6447%0.47134%0.341SS..Hα-helixtrans-59.2-41.7178.4-64.8-179.9000111.5F218 V219F218-L222 HydrophobicContact CD1-CD1 4.36Å; F218-L222 HydrophobicContact CE1-CD1 3.75Å; F218-L222 HydrophobicContact CE1-CG 4.3Å; F218-L222 HydrophobicContact CZ-CD1 4.02Å; F218-L222 HydrophobicContact CZ-CD2 4.27Å; F218-L222 HydrophobicContact CZ-CG 4.25Å; F218-L222 WeakPolarHBondContact O-CG 3.31Å; F218-L222 PolarHBondContact O-N 2.79Å; F218-L222 VanDerWaalsContact O-N 3.09Å; V219-L222 PolarHBondContact O-N 3.47Å
223W98.2Very high96.9Very high116 Ų11672.6 Ų72.644%0.43938%0.378SS..Hα-helixtrans-60.3-49.6173.4174.1-89.4000111.8F80 V219 A220 L221 L225 V226 M227 F245F80-W223 HydrophobicContact CE2-CB 4.33Å; F80-W223 HydrophobicContact CZ-CB 4.27Å; F80-W223 HydrophobicContact CZ-CD2 4.28Å; F80-W223 HydrophobicContact CZ-CG 4.05Å; V219-W223 PolarHBondContact O-N 2.92Å; A220-W223 WeakPolarHBondContact O-CB 3.49Å; A220-W223 PolarHBondContact O-N 3.43Å; L221-W223 VanDerWaalsContact C-N 3.27Å; L221-W223 PolarHBondContact O-N 3.1Å; W223-L225 VanDerWaalsContact C-N 3.33Å; W223-L225 PolarHBondContact O-N 2.65Å; W223-V226 PolarHBondContact O-N 2.8Å; W223-V226 VanDerWaalsContact O-N 3.13Å; W223-M227 VanDerWaalsContact O-CB 3.25Å; W223-M227 WeakPolarHBondContact O-CB 3.19Å; W223-M227 PolarHBondContact O-N 2.89Å; W223-F245 HydrophobicContact CZ2-CZ 4.44Å
224N98.3Very high96.9Very high14 Ų1477.8 Ų77.88%0.07540%0.395CS..Hα-helixtrans-64.1-36-176.8-73.7-26.3000112.5S83 A87 A220 L221 V226 M227 L228S83-N224 PolarHBondContact O-ND2 2.71Å; A87-N224 HydrophobicContact CB-CB 4.16Å; A87-N224 VanDerWaalsContact CB-ND2 3.35Å; A87-N224 WeakPolarHBondContact CB-ND2 3.38Å; A220-N224 VanDerWaalsContact O-CB 3.27Å; A220-N224 WeakPolarHBondContact O-CB 3.31Å; A220-N224 PolarHBondContact O-N 3Å; A220-N224 PolarHBondContact O-ND2 3.08Å; A220-N224 VanDerWaalsContact O-ND2 3.15Å; L221-N224 PolarHBondContact O-N 3.47Å; L221-N224 VanDerWaalsContact O-N 3.15Å; N224-V226 PolarHBondContact O-N 2.97Å; N224-M227 PolarHBondContact O-N 3.33Å; N224-M227 WeakPolarHBondContact OD1-CE 3.22Å; N224-L228 VanDerWaalsContact O-CB 3.32Å; N224-L228 WeakPolarHBondContact O-CB 3.38Å; N224-L228 WeakPolarHBondContact O-CG 3.32Å; N224-L228 PolarHBondContact O-N 3.32Å
225L98.3Very high96.6Very high113 Ų11380.3 Ų80.359%0.59239%0.394SS*.Hα-helixtrans-60.3-32.5174.9-74.5171.9000112.8L221 W223 P229L221-L225 HydrophobicContact CD1-CD1 4.38Å; L221-L225 HydrophobicContact CD1-CG 4.32Å; L221-L225 HydrophobicContact CG-CD1 4.3Å; L221-L225 WeakPolarHBondContact O-CG 3.27Å; L221-L225 PolarHBondContact O-N 3.3Å; W223-L225 VanDerWaalsContact C-N 3.33Å; W223-L225 PolarHBondContact O-N 2.65Å; L225-P229 VanDerWaalsContact O-CD 3.27Å; L225-P229 WeakPolarHBondContact O-CD 3.48Å; L225-P229 WeakPolarHBondContact O-CG 3.22Å
226V98Very high96.5Very high97 Ų9783 Ų8359%0.58841%0.409SS*.Hα-helixtrans-87.7-43.8176.51790000111.2W223 N224 L230W223-V226 PolarHBondContact O-N 2.8Å; W223-V226 VanDerWaalsContact O-N 3.13Å; N224-V226 PolarHBondContact O-N 2.97Å; V226-L230 HydrophobicContact CG1-CD1 4.02Å; V226-L230 WeakPolarHBondContact O-CD1 2.95Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å
227M97Very high96.5Very high13 Ų1385 Ų856%0.06442%0.421CS..Hα-helixtrans-67.7-45.9-173.2178.7-81.6-76.300112.1V84 L88 W223 N224 L230 V231 L241V84-M227 HydrophobicContact CG1-CE 3.88Å; L88-M227 HydrophobicContact CD2-CE 3.67Å; L88-M227 HydrophobicContact CD2-SD 3.79Å; L88-M227 HydrophobicContact CG-CE 4.04Å; W223-M227 VanDerWaalsContact O-CB 3.25Å; W223-M227 WeakPolarHBondContact O-CB 3.19Å; W223-M227 PolarHBondContact O-N 2.89Å; N224-M227 PolarHBondContact O-N 3.33Å; N224-M227 WeakPolarHBondContact OD1-CE 3.22Å; M227-L230 WeakPolarHBondContact O-CB 3.46Å; M227-L230 PolarHBondContact O-N 3.33Å; M227-L230 VanDerWaalsContact O-N 3.12Å; M227-V231 HydrophobicContact CG-CG1 4.46Å; M227-V231 HydrophobicContact CG-CG2 4.38Å; M227-V231 WeakPolarHBondContact O-CG2 3.42Å; M227-V231 PolarHBondContact O-N 3.19Å; M227-V231 VanDerWaalsContact O-N 3.13Å; M227-V231 HydrophobicContact SD-CG1 4.43Å; M227-V231 HydrophobicContact SD-CG2 3.35Å; M227-V231 WeakPolarHBondContact SD-CG2 3.43Å; M227-L241 HydrophobicContact CE-CD2 4.09Å; M227-L241 HydrophobicContact CG-CD2 3.8Å; M227-L241 HydrophobicContact SD-CD2 3.54Å; M227-L241 VanDerWaalsContact SD-CD2 3.54Å
228L97.3Very high96.5Very high41 Ų4182.8 Ų82.822%0.21541%0.41CS..Hα-helixtrans-59.9-48.8-173-78172.9000113.5A87 L88 H91 N224 L230 V231 S232A87-L228 HydrophobicContact CB-CD1 4.31Å; L88-L228 HydrophobicContact CD2-CD2 3.9Å; H91-L228 HydrophobicContact CB-CD2 4.11Å; N224-L228 VanDerWaalsContact O-CB 3.32Å; N224-L228 WeakPolarHBondContact O-CB 3.38Å; N224-L228 WeakPolarHBondContact O-CG 3.32Å; N224-L228 PolarHBondContact O-N 3.32Å; L228-L230 PolarHBondContact O-N 3.33Å; L228-V231 PolarHBondContact O-N 3Å; L228-S232 WeakPolarHBondContact O-CB 3.46Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 3.06Å
229P96.5Very high96.4Very high93 Ų9379.8 Ų79.860%0.60440%0.399SS*.Hα-helixtrans-60.1-31.9176.9-25.535.5000113.6L225L225-P229 VanDerWaalsContact O-CD 3.27Å; L225-P229 WeakPolarHBondContact O-CD 3.48Å; L225-P229 WeakPolarHBondContact O-CG 3.22Å
230L96.6Very high96.4Very high121 Ų12178.8 Ų78.863%0.63440%0.398SS*.Hα-helixtrans-75.5-34-177.6-64.3173.8000112.8V226 M227 L228V226-L230 HydrophobicContact CG1-CD1 4.02Å; V226-L230 WeakPolarHBondContact O-CD1 2.95Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; M227-L230 WeakPolarHBondContact O-CB 3.46Å; M227-L230 PolarHBondContact O-N 3.33Å; M227-L230 VanDerWaalsContact O-N 3.12Å; L228-L230 PolarHBondContact O-N 3.33Å
231V95.9Very high96.3Very high18 Ų1880.6 Ų80.611%0.10941%0.408CS..Hα-helixtrans-109.4-21.6-172.1-50.90000114.6L88 M227 L228 K233 R234 V237 V238 L241L88-V231 HydrophobicContact CD2-CG2 4.21Å; M227-V231 HydrophobicContact CG-CG1 4.46Å; M227-V231 HydrophobicContact CG-CG2 4.38Å; M227-V231 WeakPolarHBondContact O-CG2 3.42Å; M227-V231 PolarHBondContact O-N 3.19Å; M227-V231 VanDerWaalsContact O-N 3.13Å; M227-V231 HydrophobicContact SD-CG1 4.43Å; M227-V231 HydrophobicContact SD-CG2 3.35Å; M227-V231 WeakPolarHBondContact SD-CG2 3.43Å; L228-V231 PolarHBondContact O-N 3Å; V231-K233 PolarHBondContact O-N 3.49Å; V231-R234 WeakPolarHBondContact O-CA 3.44Å; V231-R234 PolarHBondContact O-N 3.11Å; V231-V237 HydrophobicContact CB-CG1 4.1Å; V231-V237 HydrophobicContact CG1-CG1 3.88Å; V231-V238 HydrophobicContact CB-CG2 4.32Å; V231-V238 HydrophobicContact CG2-CG2 4.02Å; V231-V238 VanDerWaalsContact O-CG2 3.31Å; V231-V238 WeakPolarHBondContact O-CG2 3.29Å; V231-L241 HydrophobicContact CG2-CD2 4.42Å
232S91Very high96.3Very high32 Ų3276.4 Ų76.422%0.22439%0.386CS..THydrogen-bonded Turntrans-51-37.4-170.450.60000114.8H91 L228H91-S232 VanDerWaalsContact NE2-CB 3.33Å; H91-S232 WeakPolarHBondContact NE2-CB 3.46Å; L228-S232 WeakPolarHBondContact O-CB 3.46Å; L228-S232 PolarHBondContact O-N 3.08Å; L228-S232 PolarHBondContact O-OG 3.06Å
233K90.7Very high96.3Very high200 Ų20073.7 Ų73.787%0.8738%0.376SS*.THydrogen-bonded Turntrans-79.2-15.3179.5-61.4-174.5-179.7-177.50113.7V231V231-K233 PolarHBondContact O-N 3.49Å
234R94.3Very high96.3Very high168 Ų16872 Ų7263%0.63438%0.379SS*.  trans-106.184.8-172.5-62.5-178.4-178.7-177.41.5110.7V231 N236 V237 V238V231-R234 WeakPolarHBondContact O-CA 3.44Å; V231-R234 PolarHBondContact O-N 3.11Å; R234-N236 VanDerWaalsContact C-N 3.34Å; R234-N236 PolarHBondContact O-N 3.01Å; R234-V237 HydrophobicContact CB-CB 3.9Å; R234-V237 HydrophobicContact CB-CG2 3.78Å; R234-V237 WeakPolarHBondContact O-CA 3.15Å; R234-V237 WeakPolarHBondContact O-CB 3.48Å; R234-V237 PolarHBondContact O-N 2.96Å; R234-V238 PolarHBondContact O-N 3.08Å
235R92.6Very high96.3Very high141 Ų14172.4 Ų72.453%0.53238%0.38SS..Hα-helixtrans-46.9-50.3-177179.1-179.4169.1-176.3-1.2114V237 V238 I239R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 PolarHBondContact O-N 2.78Å; R235-V238 PolarHBondContact O-N 2.92Å; R235-I239 HydrophobicContact CG-CD1 3.86Å; R235-I239 HydrophobicContact CG-CG1 4.48Å; R235-I239 WeakPolarHBondContact O-CG1 3.45Å; R235-I239 PolarHBondContact O-N 3.5Å
236N95.5Very high96.3Very high132 Ų13267.8 Ų67.871%0.70636%0.356SS*.Hα-helixtrans-63.7-34.1-177.3-65.1-10.6000112R234 A240R234-N236 VanDerWaalsContact C-N 3.34Å; R234-N236 PolarHBondContact O-N 3.01Å; N236-A240 VanDerWaalsContact O-CB 3.28Å; N236-A240 WeakPolarHBondContact O-CB 3.27Å; N236-A240 PolarHBondContact O-N 2.99Å
237V96.5Very high96.3Very high62 Ų6267.8 Ų67.838%0.37635%0.352SS..Hα-helixtrans-70-42.7176-179.80000110.3V231 R234 R235 A240 L241V231-V237 HydrophobicContact CB-CG1 4.1Å; V231-V237 HydrophobicContact CG1-CG1 3.88Å; R234-V237 HydrophobicContact CB-CB 3.9Å; R234-V237 HydrophobicContact CB-CG2 3.78Å; R234-V237 WeakPolarHBondContact O-CA 3.15Å; R234-V237 WeakPolarHBondContact O-CB 3.48Å; R234-V237 PolarHBondContact O-N 2.96Å; R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 PolarHBondContact O-N 2.78Å; V237-A240 PolarHBondContact O-N 2.94Å; V237-L241 WeakPolarHBondContact O-CB 3.32Å; V237-L241 PolarHBondContact O-N 3.15Å
238V97.5Very high96.3Very high14 Ų1470.4 Ų70.49%0.08537%0.366CS..Hα-helixtrans-59.4-48176.2173.30000111.3L88 L158 V231 R234 R235 L241 C242L88-V238 HydrophobicContact CB-CG1 4.42Å; L88-V238 HydrophobicContact CD1-CG1 4.44Å; L88-V238 HydrophobicContact CD2-CG1 4.14Å; L158-V238 HydrophobicContact CD1-CG1 3.58Å; V231-V238 HydrophobicContact CB-CG2 4.32Å; V231-V238 HydrophobicContact CG2-CG2 4.02Å; V231-V238 VanDerWaalsContact O-CG2 3.31Å; V231-V238 WeakPolarHBondContact O-CG2 3.29Å; R234-V238 PolarHBondContact O-N 3.08Å; R235-V238 PolarHBondContact O-N 2.92Å; V238-L241 PolarHBondContact O-N 2.85Å; V238-C242 WeakPolarHBondContact O-CB 3.49Å; V238-C242 PolarHBondContact O-N 3.17Å
239I97.3Very high96.4Very high50 Ų5068.4 Ų68.426%0.25636%0.355SS..Hα-helixtrans-63.4-45.5179.4-67172.1000110.6W155 R235 L241 C242 A243W155-I239 HydrophobicContact CH2-CG2 4.07Å; W155-I239 HydrophobicContact CZ3-CG2 4.25Å; R235-I239 HydrophobicContact CG-CD1 3.86Å; R235-I239 HydrophobicContact CG-CG1 4.48Å; R235-I239 WeakPolarHBondContact O-CG1 3.45Å; R235-I239 PolarHBondContact O-N 3.5Å; I239-L241 PolarHBondContact O-N 2.96Å; I239-C242 PolarHBondContact O-N 3.48Å; I239-A243 WeakPolarHBondContact O-CB 3.07Å; I239-A243 PolarHBondContact O-N 3.34Å
240A97.5Very high96.4Very high53 Ų5366.7 Ų66.744%0.43834%0.341SS..Hα-helixtrans-62.4-43.2177.800000111.8N236 V237 A243 V244N236-A240 VanDerWaalsContact O-CB 3.28Å; N236-A240 WeakPolarHBondContact O-CB 3.27Å; N236-A240 PolarHBondContact O-N 2.99Å; V237-A240 PolarHBondContact O-N 2.94Å; A240-A243 PolarHBondContact O-N 3.44Å; A240-V244 WeakPolarHBondContact O-CG2 3.49Å; A240-V244 PolarHBondContact O-N 3.44Å
241L97.5Very high96.4Very high37 Ų3765.9 Ų65.919%0.19433%0.334CS..Hα-helixtrans-63.5-46.1178-166.965.5000111L88 M227 V231 V237 V238 I239 A243 V244 F245L88-L241 HydrophobicContact CD1-CB 4.31Å; L88-L241 HydrophobicContact CD1-CD2 4.2Å; L88-L241 HydrophobicContact CD1-CG 4.32Å; M227-L241 HydrophobicContact CE-CD2 4.09Å; M227-L241 HydrophobicContact CG-CD2 3.8Å; M227-L241 HydrophobicContact SD-CD2 3.54Å; M227-L241 VanDerWaalsContact SD-CD2 3.54Å; V231-L241 HydrophobicContact CG2-CD2 4.42Å; V237-L241 WeakPolarHBondContact O-CB 3.32Å; V237-L241 PolarHBondContact O-N 3.15Å; V238-L241 PolarHBondContact O-N 2.85Å; I239-L241 PolarHBondContact O-N 2.96Å; L241-A243 PolarHBondContact O-N 2.73Å; L241-V244 PolarHBondContact O-N 2.85Å; L241-F245 HydrophobicContact CD1-CD2 3.83Å; L241-F245 HydrophobicContact CD1-CE2 3.53Å; L241-F245 HydrophobicContact CG-CD2 3.87Å; L241-F245 HydrophobicContact CG-CE2 3.95Å; L241-F245 WeakPolarHBondContact O-CD2 3.3Å; L241-F245 PolarHBondContact O-N 3.48Å
242C97.7Very high96.5Very high0 Ų065.6 Ų65.60%033%0.333CS..Hα-helixtrans-59.9-45.8176-165.60000111L88 W155 L158 V238 I239 V244 F245 T246L88-C242 HydrophobicContact CD1-CB 3.96Å; W155-C242 HydrophobicContact CZ2-CB 4.42Å; L158-C242 HydrophobicContact CD2-CB 3.65Å; V238-C242 WeakPolarHBondContact O-CB 3.49Å; V238-C242 PolarHBondContact O-N 3.17Å; I239-C242 PolarHBondContact O-N 3.48Å; C242-V244 PolarHBondContact O-N 3.2Å; C242-F245 PolarHBondContact O-N 3.07Å; C242-T246 WeakPolarHBondContact O-CB 3.37Å; C242-T246 PolarHBondContact O-N 3.42Å; C242-T246 PolarHBondContact O-OG1 3.19Å
243A98.1Very high96.7Very high33 Ų3364.1 Ų64.127%0.27332%0.322SS..Hα-helixtrans-61.1-44.8177.900000112.9W155 I239 A240 L241 T246 I247W155-A243 HydrophobicContact CH2-CB 4.26Å; W155-A243 HydrophobicContact CZ2-CB 4.03Å; I239-A243 WeakPolarHBondContact O-CB 3.07Å; I239-A243 PolarHBondContact O-N 3.34Å; A240-A243 PolarHBondContact O-N 3.44Å; L241-A243 PolarHBondContact O-N 2.73Å; A243-T246 PolarHBondContact O-N 2.88Å; A243-I247 VanDerWaalsContact O-CG1 3.3Å; A243-I247 WeakPolarHBondContact O-CG1 3.46Å; A243-I247 PolarHBondContact O-N 2.51Å
244V98.3Very high96.9Very high80 Ų8060 Ų6049%0.48530%0.302SS..Hα-helixtrans-61.2-48.8176.8169.30000110.7A240 L241 C242 I247 L248A240-V244 WeakPolarHBondContact O-CG2 3.49Å; A240-V244 PolarHBondContact O-N 3.44Å; L241-V244 PolarHBondContact O-N 2.85Å; C242-V244 PolarHBondContact O-N 3.2Å; V244-I247 PolarHBondContact O-N 3.3Å; V244-L248 HydrophobicContact CG1-CD1 4.02Å; V244-L248 WeakPolarHBondContact O-CG 3.48Å; V244-L248 PolarHBondContact O-N 3.41Å
245F98.3Very high97Very high23 Ų2356.4 Ų56.410%0.10129%0.291CS..Hα-helixtrans-69.8-32.7-179.5-82.6-73.9000113.3F80 C81 V84 T85 W223 L241 C242 L248 H249F80-F245 HydrophobicContact CD1-CE1 4.22Å; F80-F245 AromaticContact CE1-CE1 3.78Å; F80-F245 HydrophobicContact CE1-CE1 3.78Å; F80-F245 HydrophobicContact CE1-CZ 4.27Å; C81-F245 HydrophobicContact CB-CD1 4.04Å; V84-F245 HydrophobicContact CB-CD1 4.38Å; V84-F245 HydrophobicContact CB-CG 4.39Å; V84-F245 HydrophobicContact CG1-CD1 4.36Å; V84-F245 HydrophobicContact CG1-CD2 3.69Å; V84-F245 HydrophobicContact CG1-CE1 4.41Å; V84-F245 HydrophobicContact CG1-CE2 3.73Å; V84-F245 HydrophobicContact CG1-CG 4.03Å; V84-F245 HydrophobicContact CG1-CZ 4.1Å; V84-F245 HydrophobicContact CG2-CE1 4.44Å; T85-F245 HydrophobicContact CG2-CB 3.48Å; T85-F245 VanDerWaalsContact CG2-CB 3.48Å; W223-F245 HydrophobicContact CZ2-CZ 4.44Å; L241-F245 HydrophobicContact CD1-CD2 3.83Å; L241-F245 HydrophobicContact CD1-CE2 3.53Å; L241-F245 HydrophobicContact CG-CD2 3.87Å; L241-F245 HydrophobicContact CG-CE2 3.95Å; L241-F245 WeakPolarHBondContact O-CD2 3.3Å; L241-F245 PolarHBondContact O-N 3.48Å; C242-F245 PolarHBondContact O-N 3.07Å; F245-L248 HydrophobicContact CD1-CD1 4.4Å; F245-L248 PolarHBondContact O-N 2.94Å; F245-H249 WeakPolarHBondContact O-CB 3.39Å; F245-H249 PolarHBondContact O-N 3.04Å
246T98.2Very high97.2Very high15 Ų1549.7 Ų49.79%0.09227%0.266CS..Hα-helixtrans-62-43.2170.9-67.40000111.3D151 W155 C242 A243 H249 L250D151-T246 HydrophobicContact CB-CG2 4.02Å; W155-T246 PolarHBondContact NE1-OG1 2.95Å; C242-T246 WeakPolarHBondContact O-CB 3.37Å; C242-T246 PolarHBondContact O-N 3.42Å; C242-T246 PolarHBondContact O-OG1 3.19Å; A243-T246 PolarHBondContact O-N 2.88Å; T246-H249 WeakPolarHBondContact O-CB 3.22Å; T246-H249 PolarHBondContact O-N 2.91Å; T246-L250 HydrophobicContact CG2-CD1 4.33Å; T246-L250 WeakPolarHBondContact O-CG 3.35Å; T246-L250 PolarHBondContact O-N 3.33Å
247I98Very high97.2Very high97 Ų9743.5 Ų43.550%0.49723%0.232SC..Hα-helixtrans-64.4-45.3177-68.2165.3000110.6A243 V244 L250 Q251A243-I247 VanDerWaalsContact O-CG1 3.3Å; A243-I247 WeakPolarHBondContact O-CG1 3.46Å; A243-I247 PolarHBondContact O-N 2.51Å; V244-I247 PolarHBondContact O-N 3.3Å; I247-L250 PolarHBondContact O-N 2.89Å; I247-Q251 HydrophobicContact CG2-CG 4.48Å; I247-Q251 WeakPolarHBondContact O-CB 3.36Å; I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.38Å; I247-Q251 PolarHBondContact O-N 3.44Å
248L98.3Very high97.1Very high68 Ų6843.9 Ų43.936%0.35623%0.227SC..Hα-helixtrans-63-41.8177.2-70.1173.3000111.9V244 F245 Q251 C252V244-L248 HydrophobicContact CG1-CD1 4.02Å; V244-L248 WeakPolarHBondContact O-CG 3.48Å; V244-L248 PolarHBondContact O-N 3.41Å; F245-L248 HydrophobicContact CD1-CD1 4.4Å; F245-L248 PolarHBondContact O-N 2.94Å; L248-Q251 PolarHBondContact O-N 3.17Å; L248-C252 WeakPolarHBondContact O-CB 3.28Å; L248-C252 PolarHBondContact O-N 2.93Å; L248-C252 PolarHBondContact O-SG 3.38Å
249H98Very high97Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-54-56175171.3-108.4000111.2Q78 C81 D147 D151 F245 T246 Q251 C252 N253Q78-H249 PolarHBondContact NE2-CD2 3.25Å; Q78-H249 PolarHBondContact NE2-NE2 3.36Å; Q78-H249 PolarHBondContact O-CD2 2.63Å; C81-H249 HydrophobicContact CB-CB 3.7Å; D147-H249 IonicContact OD2-CE1 3.66Å; D147-H249 IonicContact OD2-NE2 3.41Å; D147-H249 PolarHBondContact OD2-NE2 2.92Å; D151-H249 VanDerWaalsContact CG-ND1 3.25Å; D151-H249 IonicContact OD1-CE1 2.76Å; D151-H249 PolarHBondContact OD1-CE1 2.74Å; D151-H249 IonicContact OD1-CG 3.32Å; D151-H249 IonicContact OD1-ND1 3.54Å; D151-H249 PolarHBondContact OD1-ND1 3.48Å; D151-H249 IonicContact OD2-CE1 3.71Å; D151-H249 PolarHBondContact OD2-CE1 3.13Å; D151-H249 IonicContact OD2-CG 3.79Å; D151-H249 IonicContact OD2-ND1 2.81Å; D151-H249 PolarHBondContact OD2-ND1 3.5Å; F245-H249 WeakPolarHBondContact O-CB 3.39Å; F245-H249 PolarHBondContact O-N 3.04Å; T246-H249 WeakPolarHBondContact O-CB 3.22Å; T246-H249 PolarHBondContact O-N 2.91Å; H249-Q251 PolarHBondContact O-N 2.78Å; H249-C252 PolarHBondContact O-N 3.44Å; H249-N253 PolarHBondContact O-N 3Å
250L96.1Very high97Very high57 Ų5741.8 Ų41.830%0.29822%0.218SC..Hα-helixtrans-62.1-39.9179.3-69.6172.9000112.6V148 D151 T246 I247 Y254V148-L250 HydrophobicContact CG2-CD2 4.01Å; D151-L250 WeakPolarHBondContact OD2-CD2 3.35Å; D151-L250 WeakPolarHBondContact OD2-CG 3.19Å; T246-L250 HydrophobicContact CG2-CD1 4.33Å; T246-L250 WeakPolarHBondContact O-CG 3.35Å; T246-L250 PolarHBondContact O-N 3.33Å; I247-L250 PolarHBondContact O-N 2.89Å; L250-Y254 VanDerWaalsContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CB 3.44Å; L250-Y254 PolarHBondContact O-N 2.93Å
251Q97Very high96.8Very high103 Ų10343.9 Ų43.948%0.48122%0.215SC..Hα-helixtrans-65.5-41.1176.7-75-179.5-7.200112.5I247 L248 H249 K255I247-Q251 HydrophobicContact CG2-CG 4.48Å; I247-Q251 WeakPolarHBondContact O-CB 3.36Å; I247-Q251 VanDerWaalsContact O-CG 3.29Å; I247-Q251 WeakPolarHBondContact O-CG 3.38Å; I247-Q251 PolarHBondContact O-N 3.44Å; L248-Q251 PolarHBondContact O-N 3.17Å; H249-Q251 PolarHBondContact O-N 2.78Å; Q251-K255 WeakPolarHBondContact O-CG 2.88Å; Q251-K255 PolarHBondContact O-N 2.86Å; Q251-K255 VanDerWaalsContact O-N 3.08Å
252C98Very high96.7Very high13 Ų1342.7 Ų42.79%0.08821%0.208CC..Hα-helixtrans-66.8-45.7177.2-67.60000110.5W74 F77 Q78 L248 H249 Y254 K255 A256W74-C252 HydrophobicContact CE3-CB 4.49Å; F77-C252 HydrophobicContact CB-CB 4.18Å; Q78-C252 HydrophobicContact CB-CB 3.81Å; L248-C252 WeakPolarHBondContact O-CB 3.28Å; L248-C252 PolarHBondContact O-N 2.93Å; L248-C252 PolarHBondContact O-SG 3.38Å; H249-C252 PolarHBondContact O-N 3.44Å; C252-Y254 PolarHBondContact O-N 2.9Å; C252-K255 PolarHBondContact O-N 2.85Å; C252-A256 PolarHBondContact O-N 3.21Å
253N95.4Very high96.5Very high0 Ų044.2 Ų44.20%022%0.219CC..Hα-helixtrans-58.3-48.1175.3-173.4-90000111.9Q78 L144 D147 H249 K255 A256 I257Q78-N253 HydrophobicContact CG-CB 3.91Å; L144-N253 WeakPolarHBondContact CD1-OD1 3.25Å; D147-N253 WeakPolarHBondContact OD2-CB 3.07Å; D147-N253 PolarHBondContact OD2-ND2 3.38Å; H249-N253 PolarHBondContact O-N 3Å; N253-K255 VanDerWaalsContact C-N 3.28Å; N253-K255 PolarHBondContact O-N 3.19Å; N253-A256 WeakPolarHBondContact O-CB 3.35Å; N253-A256 PolarHBondContact O-N 3.32Å; N253-A256 VanDerWaalsContact O-N 3.11Å; N253-I257 PolarHBondContact O-N 2.74Å
254Y95.4Very high96.3Very high114 Ų11444.4 Ų44.445%0.44722%0.217SC..Hα-helixtrans-55.2-46.5177.4178.1-97000110.9L250 C252 I257 R258 L295L250-Y254 VanDerWaalsContact O-CB 3.32Å; L250-Y254 WeakPolarHBondContact O-CB 3.44Å; L250-Y254 PolarHBondContact O-N 2.93Å; C252-Y254 PolarHBondContact O-N 2.9Å; Y254-I257 PolarHBondContact O-N 3.4Å; Y254-R258 HydrophobicContact CD1-CG 4.06Å; Y254-R258 HydrophobicContact CD2-CG 4.38Å; Y254-R258 HydrophobicContact CE1-CG 3.71Å; Y254-R258 HydrophobicContact CE2-CG 4.06Å; Y254-R258 HydrophobicContact CG-CG 4.38Å; Y254-R258 WeakPolarHBondContact O-CB 3.38Å; Y254-R258 WeakPolarHBondContact O-CG 3.28Å; Y254-R258 PolarHBondContact O-N 3.48Å; Y254-L295 HydrophobicContact CD2-CD1 3.85Å; Y254-L295 HydrophobicContact CE2-CD1 3.61Å
255K96.6Very high96.1Very high93 Ų9340.7 Ų40.740%0.40419%0.194SC..Hα-helixtrans-66.5-37.8177.6-71178.9-177.8176.70113.2W74 Q251 C252 N253 R258 A259W74-K255 HydrophobicContact CB-CB 4.32Å; W74-K255 HydrophobicContact CD2-CB 3.57Å; W74-K255 HydrophobicContact CD2-CD 3.81Å; W74-K255 HydrophobicContact CD2-CG 4.37Å; W74-K255 HydrophobicContact CE3-CB 4.06Å; W74-K255 HydrophobicContact CE3-CD 3.71Å; W74-K255 HydrophobicContact CG-CB 3.66Å; W74-K255 HydrophobicContact CH2-CD 3.47Å; W74-K255 VanDerWaalsContact CH2-CD 3.47Å; W74-K255 HydrophobicContact CZ2-CD 3.53Å; W74-K255 HydrophobicContact CZ3-CD 3.54Å; Q251-K255 WeakPolarHBondContact O-CG 2.88Å; Q251-K255 PolarHBondContact O-N 2.86Å; Q251-K255 VanDerWaalsContact O-N 3.08Å; C252-K255 PolarHBondContact O-N 2.85Å; N253-K255 VanDerWaalsContact C-N 3.28Å; N253-K255 PolarHBondContact O-N 3.19Å; K255-R258 PolarHBondContact O-N 3.37Å; K255-A259 PolarHBondContact O-N 3.39Å
256A96.9Very high95.8Very high0 Ų039.7 Ų39.70%019%0.189CC..Hα-helixtrans-60.1-50.8174.700000110.5Y71 W74 C252 N253 R258 A259Y71-A256 HydrophobicContact CD2-CB 3.98Å; Y71-A256 HydrophobicContact CE2-CB 4.12Å; W74-A256 HydrophobicContact CB-CB 3.67Å; C252-A256 PolarHBondContact O-N 3.21Å; N253-A256 WeakPolarHBondContact O-CB 3.35Å; N253-A256 PolarHBondContact O-N 3.32Å; N253-A256 VanDerWaalsContact O-N 3.11Å; A256-R258 VanDerWaalsContact C-N 3.35Å; A256-R258 PolarHBondContact O-N 3.09Å; A256-A259 VanDerWaalsContact O-CB 3.31Å; A256-A259 WeakPolarHBondContact O-CB 3.17Å; A256-A259 PolarHBondContact O-N 3.37Å
257I95Very high95.4Very high1 Ų139.1 Ų39.11%0.00519%0.186CC..Hα-helixtrans-64.6-36.9179.6-70.6-51.1000112.9K140 R143 N253 Y254 A259 L260 L295K140-I257 HydrophobicContact CB-CG2 3.61Å; K140-I257 HydrophobicContact CD-CG2 3.79Å; K140-I257 HydrophobicContact CG-CG2 3.74Å; R143-I257 HydrophobicContact CB-CD1 3.76Å; R143-I257 HydrophobicContact CB-CG1 4.28Å; R143-I257 HydrophobicContact CG-CD1 3.65Å; R143-I257 HydrophobicContact CG-CG1 4.05Å; N253-I257 PolarHBondContact O-N 2.74Å; Y254-I257 PolarHBondContact O-N 3.4Å; I257-A259 VanDerWaalsContact C-N 3.25Å; I257-A259 PolarHBondContact O-N 2.87Å; I257-L260 HydrophobicContact CD1-CD1 3.67Å; I257-L260 PolarHBondContact O-N 2.94Å; I257-L295 HydrophobicContact CG2-CD1 4.45Å; I257-L295 HydrophobicContact CG2-CD2 3.73Å
258R94.4Very high95Very high70 Ų7036 Ų3626%0.26417%0.168SC..Hα-helixtrans-69.4-21.4174.3-68.1-65-65.7-177.9-5.4113.4Y254 K255 A256 L260 L291Y254-R258 HydrophobicContact CD1-CG 4.06Å; Y254-R258 HydrophobicContact CD2-CG 4.38Å; Y254-R258 HydrophobicContact CE1-CG 3.71Å; Y254-R258 HydrophobicContact CE2-CG 4.06Å; Y254-R258 HydrophobicContact CG-CG 4.38Å; Y254-R258 WeakPolarHBondContact O-CB 3.38Å; Y254-R258 WeakPolarHBondContact O-CG 3.28Å; Y254-R258 PolarHBondContact O-N 3.48Å; K255-R258 PolarHBondContact O-N 3.37Å; A256-R258 VanDerWaalsContact C-N 3.35Å; A256-R258 PolarHBondContact O-N 3.09Å; R258-L260 VanDerWaalsContact C-N 3.34Å; R258-L291 PolarHBondContact NH1-O 3.04Å; R258-L291 VanDerWaalsContact NH2-CD2 3.26Å; R258-L291 PolarHBondContact NH2-O 3.46Å
259A95.4Very high94.8Very high19 Ų1933.1 Ų33.116%0.15715%0.153CC..Hα-helixtrans-73.2-28.4175.100000112.2D67 N70 K255 A256 I257D67-A259 WeakPolarHBondContact CB-O 3.47Å; N70-A259 HydrophobicContact CB-CB 3.95Å; K255-A259 PolarHBondContact O-N 3.39Å; A256-A259 VanDerWaalsContact O-CB 3.31Å; A256-A259 WeakPolarHBondContact O-CB 3.17Å; A256-A259 PolarHBondContact O-N 3.37Å; I257-A259 VanDerWaalsContact C-N 3.25Å; I257-A259 PolarHBondContact O-N 2.87Å
260L96.4Very high94.6Very high1 Ų133.2 Ų33.21%0.00515%0.153CC..  trans-67.4136.1-175.9-65.6170.7000113.3D67 Y71 K140 I192 I257 R258 F262 N290D67-L260 WeakPolarHBondContact OD2-CA 3.22Å; Y71-L260 HydrophobicContact CD2-CD1 3.97Å; Y71-L260 HydrophobicContact CD2-CD2 3.56Å; Y71-L260 HydrophobicContact CD2-CG 3.69Å; Y71-L260 HydrophobicContact CE2-CD1 4.04Å; Y71-L260 HydrophobicContact CE2-CD2 4.21Å; Y71-L260 HydrophobicContact CE2-CG 4.28Å; Y71-L260 HydrophobicContact CG-CD2 3.89Å; Y71-L260 HydrophobicContact CG-CG 4.45Å; K140-L260 PolarHBondContact NZ-O 3.47Å; I192-L260 HydrophobicContact CD1-CD1 3.69Å; I192-L260 HydrophobicContact CG1-CD1 3.82Å; I192-L260 HydrophobicContact CG1-CD2 4.44Å; I192-L260 HydrophobicContact CG2-CD2 4.04Å; I257-L260 HydrophobicContact CD1-CD1 3.67Å; I257-L260 PolarHBondContact O-N 2.94Å; R258-L260 VanDerWaalsContact C-N 3.34Å; L260-F262 HydrophobicContact CB-CD2 4.29Å; L260-F262 HydrophobicContact CB-CE2 4.13Å; L260-F262 HydrophobicContact CD1-CE2 3.85Å; L260-F262 HydrophobicContact CD1-CZ 4.23Å; L260-N290 PolarHBondContact O-OD1 3.49Å
261R95.1Very high94.4Very high97 Ų9731.1 Ų31.137%0.36614%0.143SC..  trans-127.862.2-174.4-64.7171.6-178.9-171.81.2110.2D67 H195 C263 I286 V287D67-R261 HydrophobicContact CB-CB 4.44Å; D67-R261 HydrophobicContact CB-CG 4.29Å; D67-R261 PolarHBondContact OD2-N 3Å; H195-R261 PolarHBondContact CE1-O 3.08Å; R261-C263 PolarHBondContact O-N 2.68Å; R261-I286 HydrophobicContact CB-CG2 4.35Å; R261-V287 HydrophobicContact CG-CG2 4.48Å
262F95Very high94.1Very high13 Ų1328.2 Ų28.26%0.05713%0.131CC..  trans-60133.3-179.5-74-75.2000112C139 K140 I192 H195 L260 R269 N290C139-F262 HydrophobicContact CB-CE2 4.42Å; C139-F262 HydrophobicContact CB-CZ 4.15Å; K140-F262 HydrophobicContact CG-CD2 4.22Å; K140-F262 HydrophobicContact CG-CE2 3.88Å; I192-F262 HydrophobicContact CG1-CZ 3.74Å; H195-F262 HydrophobicContact CB-CD1 3.58Å; H195-F262 HydrophobicContact CB-CE1 3.47Å; H195-F262 VanDerWaalsContact CB-CE1 3.47Å; H195-F262 AromaticContact CG-CD1 3.45Å; H195-F262 VanDerWaalsContact CG-CD1 3.45Å; H195-F262 AromaticContact CG-CE1 3.73Å; H195-F262 AromaticContact ND1-CD1 3.7Å; L260-F262 HydrophobicContact CB-CD2 4.29Å; L260-F262 HydrophobicContact CB-CE2 4.13Å; L260-F262 HydrophobicContact CD1-CE2 3.85Å; L260-F262 HydrophobicContact CD1-CZ 4.23Å; F262-R269 VanDerWaalsContact C-NH1 3.34Å; F262-R269 PolarHBondContact O-NH1 3.18Å; F262-N290 PolarHBondContact N-ND2 2.92Å; F262-N290 PolarHBondContact N-OD1 2.79Å; F262-N290 PolarHBondContact O-ND2 3.41Å
263C93.5Very high93.9Very high32 Ų3227.6 Ų27.622%0.21613%0.127CC..  trans-99.6-12.8180-52.10000113.8R261 I286 V409R261-C263 PolarHBondContact O-N 2.68Å; C263-I286 HydrophobicContact CB-CD1 4.29Å; C263-V409 HydrophobicContact CB-CG2 3.85Å; C263-V409 PolarHBondContact O-N 2.87Å
264T93.4Very high93.8Very high37 Ų3727.6 Ų27.623%0.22713%0.127CC..EExtended strand (participates in β ladder)trans-82.3139176.8-51.70000110.4R269 D412T264-R269 PolarHBondContact O-NH1 3.38Å; T264-R269 PolarHBondContact O-NH2 2.84Å; T264-D412 HydrophobicContact CG2-CB 4.42Å
265L93.7Very high93.6Very high1 Ų128.1 Ų28.11%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-80.6127.2-176.2-64.6165.8000112.2F270 I273 L359 L403 W408 L410 S414 F415L265-F270 HydrophobicContact CD1-CD2 4.23Å; L265-I273 HydrophobicContact CD2-CD1 3.51Å; L265-L359 HydrophobicContact CD1-CD2 4.1Å; L265-L403 HydrophobicContact CD1-CD1 4.39Å; L265-W408 HydrophobicContact CD2-CD2 3.91Å; L265-W408 HydrophobicContact CD2-CE3 3.47Å; L265-W408 VanDerWaalsContact CD2-CE3 3.47Å; L265-W408 HydrophobicContact CD2-CG 4.44Å; L265-W408 HydrophobicContact CD2-CZ3 3.93Å; L265-W408 HydrophobicContact CG-CE3 4.15Å; L265-L410 HydrophobicContact CD1-CD2 3.71Å; L265-S414 PolarHBondContact O-N 3.35Å; L265-F415 HydrophobicContact CB-CE1 4.04Å; L265-F415 HydrophobicContact CB-CZ 4.3Å
266N92.2Very high93.4Very high2 Ų225.2 Ų25.21%0.01112%0.119CC..  trans-106.9173.7159.970-1.6000110T137 K268 R269 F270 E293 F415T137-N266 WeakPolarHBondContact O-CB 3.45Å; T137-N266 PolarHBondContact O-ND2 3.49Å; N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.12Å; N266-K268 PolarHBondContact OD1-N 3.11Å; N266-R269 PolarHBondContact O-N 2.93Å; N266-R269 WeakPolarHBondContact OD1-CB 3.14Å; N266-R269 WeakPolarHBondContact OD1-CG 3.43Å; N266-R269 PolarHBondContact OD1-N 2.65Å; N266-R269 PolarHBondContact OD1-NE 3.06Å; N266-F270 WeakPolarHBondContact O-CB 3.28Å; N266-F270 PolarHBondContact O-N 3.02Å; N266-E293 PolarHBondContact ND2-OE1 3.2Å; N266-F415 VanDerWaalsContact C-CE1 3.46Å
267E90.2Very high93.1Very high3 Ų326.1 Ų26.11%0.01412%0.123CC..Hα-helixtrans-61.4-37.9-174.5-54.284.7166.800111.7T137 S271 F304 F415 I416T137-E267 WeakPolarHBondContact CG2-OE1 3.44Å; T137-E267 WeakPolarHBondContact CG2-OE2 3.23Å; E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.08Å; E267-S271 PolarHBondContact O-N 3.49Å; E267-S271 PolarHBondContact O-OG 3.44Å; E267-F304 HydrophobicContact CB-CD1 3.84Å; E267-F304 HydrophobicContact CB-CD2 4.04Å; E267-F304 HydrophobicContact CB-CE1 3.65Å; E267-F304 HydrophobicContact CB-CE2 3.85Å; E267-F304 HydrophobicContact CB-CG 4.02Å; E267-F304 HydrophobicContact CB-CZ 3.65Å; E267-F304 HydrophobicContact CG-CD1 4.3Å; E267-F304 HydrophobicContact CG-CD2 3.67Å; E267-F304 HydrophobicContact CG-CE1 3.91Å; E267-F304 HydrophobicContact CG-CE2 3.21Å; E267-F304 HydrophobicContact CG-CG 4.19Å; E267-F304 HydrophobicContact CG-CZ 3.35Å; E267-F415 HydrophobicContact CG-CD1 4.19Å; E267-F415 WeakPolarHBondContact OE1-CA 3.38Å; E267-I416 WeakPolarHBondContact OE1-CG1 3.29Å; E267-I416 PolarHBondContact OE1-N 3.21Å
268K89.9Confident92.9Very high31 Ų3127.9 Ų27.914%0.13513%0.132CC..Hα-helixtrans-67.2-49.9180-68.7180-169.11530111.5D138 N266 F270 S271 L272 E293 W296D138-K268 VanDerWaalsContact OD1-CE 3.27Å; D138-K268 WeakPolarHBondContact OD1-CE 2.75Å; D138-K268 IonicContact OD1-NZ 3.72Å; D138-K268 PolarHBondContact OD1-NZ 2.79Å; D138-K268 VanDerWaalsContact OD2-CE 3.31Å; D138-K268 WeakPolarHBondContact OD2-CE 3.48Å; D138-K268 IonicContact OD2-NZ 3.5Å; D138-K268 PolarHBondContact OD2-NZ 3.5Å; N266-K268 VanDerWaalsContact C-N 3.29Å; N266-K268 PolarHBondContact O-N 3.12Å; N266-K268 PolarHBondContact OD1-N 3.11Å; K268-F270 VanDerWaalsContact C-N 3.35Å; K268-S271 PolarHBondContact O-N 3.29Å; K268-L272 WeakPolarHBondContact O-CG 3.34Å; K268-L272 PolarHBondContact O-N 3.44Å; K268-E293 HydrophobicContact CB-CG 4.41Å; K268-W296 PolarHBondContact NZ-O 2.98Å
269R93.2Very high92.7Very high9 Ų930.1 Ų30.13%0.03415%0.149CC..Hα-helixtrans-66.4-41.2179.6-68.1-178.8-82.8144.34.6110.4F262 T264 N266 L272 I273 V289 E293F262-R269 VanDerWaalsContact C-NH1 3.34Å; F262-R269 PolarHBondContact O-NH1 3.18Å; T264-R269 PolarHBondContact O-NH1 3.38Å; T264-R269 PolarHBondContact O-NH2 2.84Å; N266-R269 PolarHBondContact O-N 2.93Å; N266-R269 WeakPolarHBondContact OD1-CB 3.14Å; N266-R269 WeakPolarHBondContact OD1-CG 3.43Å; N266-R269 PolarHBondContact OD1-N 2.65Å; N266-R269 PolarHBondContact OD1-NE 3.06Å; R269-L272 PolarHBondContact O-N 3.47Å; R269-I273 WeakPolarHBondContact O-CB 3.38Å; R269-I273 VanDerWaalsContact O-CD1 3.3Å; R269-I273 WeakPolarHBondContact O-CD1 3.49Å; R269-I273 WeakPolarHBondContact O-CG1 3.16Å; R269-I273 PolarHBondContact O-N 2.9Å; R269-V289 HydrophobicContact CB-CG1 3.72Å; R269-V289 HydrophobicContact CG-CG1 3.77Å; R269-E293 HydrophobicContact CG-CB 4.34Å; R269-E293 HydrophobicContact CG-CG 4.12Å; R269-E293 IonicContact NE-OE1 3.94Å; R269-E293 PolarHBondContact NE-OE1 3.29Å; R269-E293 IonicContact NE-OE2 3.69Å
270F93.7Very high92.4Very high1 Ų133.2 Ų33.20%0.00417%0.167CC..Hα-helixtrans-59.1-50.3173.2-173.1-98.8000111.8L265 N266 K268 L272 I273 V274 F304 L359 A362 F363 F399 F415L265-F270 HydrophobicContact CD1-CD2 4.23Å; N266-F270 WeakPolarHBondContact O-CB 3.28Å; N266-F270 PolarHBondContact O-N 3.02Å; K268-F270 VanDerWaalsContact C-N 3.35Å; F270-L272 VanDerWaalsContact C-N 3.3Å; F270-L272 PolarHBondContact O-N 3.34Å; F270-I273 PolarHBondContact O-N 3.45Å; F270-I273 VanDerWaalsContact O-N 3.14Å; F270-V274 HydrophobicContact CD1-CG2 3.85Å; F270-V274 HydrophobicContact CD2-CG2 4.33Å; F270-V274 HydrophobicContact CE1-CG2 3.53Å; F270-V274 HydrophobicContact CE2-CG2 4.06Å; F270-V274 HydrophobicContact CG-CG2 4.26Å; F270-V274 HydrophobicContact CZ-CG2 3.67Å; F270-V274 WeakPolarHBondContact O-CG2 3.4Å; F270-V274 PolarHBondContact O-N 3.48Å; F270-F304 HydrophobicContact CD1-CE1 4.07Å; F270-L359 HydrophobicContact CD2-CD2 4.45Å; F270-L359 HydrophobicContact CE2-CD2 4.12Å; F270-A362 HydrophobicContact CD1-CB 4.43Å; F270-A362 HydrophobicContact CE1-CB 3.65Å; F270-A362 HydrophobicContact CZ-CB 3.91Å; F270-F363 HydrophobicContact CZ-CB 3.97Å; F270-F399 HydrophobicContact CE2-CE1 4.1Å; F270-F399 HydrophobicContact CE2-CZ 4.37Å; F270-F399 HydrophobicContact CZ-CE1 4.48Å; F270-F415 HydrophobicContact CB-CE1 3.82Å; F270-F415 HydrophobicContact CB-CZ 3.79Å; F270-F415 HydrophobicContact CD1-CZ 4.17Å; F270-F415 HydrophobicContact CD2-CE1 4.49Å; F270-F415 AromaticContact CD2-CZ 3.68Å; F270-F415 HydrophobicContact CD2-CZ 3.68Å; F270-F415 HydrophobicContact CE2-CZ 4.23Å; F270-F415 HydrophobicContact CG-CE1 4.17Å; F270-F415 AromaticContact CG-CZ 3.61Å; F270-F415 HydrophobicContact CG-CZ 3.61Å
271S91.5Very high92.1Very high13 Ų1334.7 Ų34.79%0.09118%0.181CC..Hα-helixtrans-58.8-40.1178.6-59.10000112.6E267 K268 R275 E366E267-S271 VanDerWaalsContact O-CB 3.23Å; E267-S271 WeakPolarHBondContact O-CB 3.08Å; E267-S271 PolarHBondContact O-N 3.49Å; E267-S271 PolarHBondContact O-OG 3.44Å; K268-S271 PolarHBondContact O-N 3.29Å; S271-R275 VanDerWaalsContact O-CB 3.28Å; S271-R275 WeakPolarHBondContact O-CB 3.32Å; S271-R275 PolarHBondContact O-N 2.98Å; S271-E366 PolarHBondContact OG-OE1 2.99Å
272L91.6Very high92Very high42 Ų4234.5 Ų34.522%0.2219%0.188CC..Hα-helixtrans-64.7-45.5176-73.3171.4000111.5K268 R269 F270 S276 E292K268-L272 WeakPolarHBondContact O-CG 3.34Å; K268-L272 PolarHBondContact O-N 3.44Å; R269-L272 PolarHBondContact O-N 3.47Å; F270-L272 VanDerWaalsContact C-N 3.3Å; F270-L272 PolarHBondContact O-N 3.34Å; L272-S276 WeakPolarHBondContact O-CB 3.45Å; L272-S276 PolarHBondContact O-N 2.85Å; L272-E292 HydrophobicContact CD1-CB 4.12Å
273I94.7Very high91.9Very high0 Ų034.8 Ų34.80%019%0.19CC..Hα-helixtrans-64.4-48.8179.5-68.8160.5000111.1L265 R269 F270 R275 S276 Y277 V283 P284 V289 F399 L403 W408L265-I273 HydrophobicContact CD2-CD1 3.51Å; R269-I273 WeakPolarHBondContact O-CB 3.38Å; R269-I273 VanDerWaalsContact O-CD1 3.3Å; R269-I273 WeakPolarHBondContact O-CD1 3.49Å; R269-I273 WeakPolarHBondContact O-CG1 3.16Å; R269-I273 PolarHBondContact O-N 2.9Å; F270-I273 PolarHBondContact O-N 3.45Å; F270-I273 VanDerWaalsContact O-N 3.14Å; I273-R275 VanDerWaalsContact C-N 3.35Å; I273-R275 PolarHBondContact O-N 2.94Å; I273-S276 PolarHBondContact O-N 2.74Å; I273-Y277 WeakPolarHBondContact O-CB 3.39Å; I273-Y277 PolarHBondContact O-N 3.21Å; I273-V283 HydrophobicContact CG2-CG1 3.96Å; I273-V283 HydrophobicContact CG2-CG2 4.32Å; I273-P284 HydrophobicContact CG1-CG 4.11Å; I273-V289 HydrophobicContact CD1-CG1 4.26Å; I273-V289 HydrophobicContact CD1-CG2 4.37Å; I273-V289 HydrophobicContact CG1-CG1 4.11Å; I273-V289 HydrophobicContact CG1-CG2 3.73Å; I273-F399 HydrophobicContact CG2-CE2 3.7Å; I273-F399 HydrophobicContact CG2-CZ 3.87Å; I273-L403 HydrophobicContact CD1-CD2 4.39Å; I273-L403 HydrophobicContact CG2-CD2 3.87Å; I273-W408 HydrophobicContact CD1-CD2 4.08Å; I273-W408 HydrophobicContact CD1-CE3 4.36Å; I273-W408 HydrophobicContact CD1-CH2 3.9Å; I273-W408 HydrophobicContact CD1-CZ2 3.52Å; I273-W408 HydrophobicContact CD1-CZ3 4.3Å; I273-W408 HydrophobicContact CG1-CZ2 4.26Å
274V92.6Very high91.9Very high0 Ų033.7 Ų33.70%018%0.183CC..Hα-helixtrans-60.4-47179.6173.50000110F270 S276 Y277 L278 F363 E366 F399F270-V274 HydrophobicContact CD1-CG2 3.85Å; F270-V274 HydrophobicContact CD2-CG2 4.33Å; F270-V274 HydrophobicContact CE1-CG2 3.53Å; F270-V274 HydrophobicContact CE2-CG2 4.06Å; F270-V274 HydrophobicContact CG-CG2 4.26Å; F270-V274 HydrophobicContact CZ-CG2 3.67Å; F270-V274 WeakPolarHBondContact O-CG2 3.4Å; F270-V274 PolarHBondContact O-N 3.48Å; V274-S276 PolarHBondContact O-N 2.65Å; V274-Y277 PolarHBondContact O-N 2.84Å; V274-L278 HydrophobicContact CG1-CD1 3.78Å; V274-L278 HydrophobicContact CG1-CG 4.18Å; V274-L278 VanDerWaalsContact O-CG 3.25Å; V274-L278 WeakPolarHBondContact O-CG 3.25Å; V274-L278 PolarHBondContact O-N 3.47Å; V274-F363 HydrophobicContact CG1-CD2 4Å; V274-F363 HydrophobicContact CG1-CE2 4.19Å; V274-F363 HydrophobicContact CG2-CD2 3.87Å; V274-E366 HydrophobicContact CB-CB 4.49Å; V274-E366 HydrophobicContact CG1-CB 3.89Å; V274-F399 HydrophobicContact CG2-CE1 4.28Å; V274-F399 HydrophobicContact CG2-CE2 4.36Å; V274-F399 HydrophobicContact CG2-CZ 3.73Å
275R90.4Very high91.8Very high126 Ų12633.7 Ų33.748%0.47519%0.191SC..Hα-helixtrans-59.6-49177.3-176.1175.9-179.6174.94.1112.2S271 I273 Y277 L278 D279S271-R275 VanDerWaalsContact O-CB 3.28Å; S271-R275 WeakPolarHBondContact O-CB 3.32Å; S271-R275 PolarHBondContact O-N 2.98Å; I273-R275 VanDerWaalsContact C-N 3.35Å; I273-R275 PolarHBondContact O-N 2.94Å; R275-Y277 VanDerWaalsContact C-N 3.26Å; R275-Y277 PolarHBondContact O-N 3.25Å; R275-L278 PolarHBondContact O-N 2.83Å; R275-D279 IonicContact NE-OD2 3.55Å; R275-D279 WeakPolarHBondContact O-CB 3.19Å; R275-D279 VanDerWaalsContact O-CG 3.25Å; R275-D279 PolarHBondContact O-N 3.14Å
276S91.9Very high91.9Very high31 Ų3135 Ų3522%0.21720%0.197CC..Hα-helixtrans-59.3-39.5176.9-178.50000111.9L272 I273 V274 D279 T280L272-S276 WeakPolarHBondContact O-CB 3.45Å; L272-S276 PolarHBondContact O-N 2.85Å; I273-S276 PolarHBondContact O-N 2.74Å; V274-S276 PolarHBondContact O-N 2.65Å; S276-D279 PolarHBondContact O-N 2.96Å; S276-T280 WeakPolarHBondContact O-CB 3.35Å; S276-T280 PolarHBondContact O-N 3.35Å; S276-T280 PolarHBondContact O-OG1 3.35Å
277Y92.4Very high92Very high20 Ų2038 Ų388%0.07822%0.215CC..Hα-helixtrans-67.2-43.4177.4173.1-100.3000112.1I273 V274 R275 D279 G281 N282 V283 F363 D395 H398 F399 K402I273-Y277 WeakPolarHBondContact O-CB 3.39Å; I273-Y277 PolarHBondContact O-N 3.21Å; V274-Y277 PolarHBondContact O-N 2.84Å; R275-Y277 VanDerWaalsContact C-N 3.26Å; R275-Y277 PolarHBondContact O-N 3.25Å; Y277-D279 VanDerWaalsContact C-N 3.3Å; Y277-D279 PolarHBondContact O-N 3.31Å; Y277-G281 WeakPolarHBondContact CD2-O 3.16Å; Y277-G281 WeakPolarHBondContact CE2-O 3.4Å; Y277-G281 WeakPolarHBondContact O-CA 3.16Å; Y277-G281 PolarHBondContact O-N 3.47Å; Y277-N282 WeakPolarHBondContact CA-O 3.3Å; Y277-N282 PolarHBondContact N-O 3.49Å; Y277-V283 HydrophobicContact CD2-CG2 4.27Å; Y277-F363 AromaticContact CD1-CE2 3.94Å; Y277-F363 HydrophobicContact CD1-CE2 3.94Å; Y277-F363 HydrophobicContact CD1-CZ 4.18Å; Y277-F363 HydrophobicContact CE1-CE2 4.07Å; Y277-F363 AromaticContact CE1-CZ 3.87Å; Y277-F363 HydrophobicContact CE1-CZ 3.87Å; Y277-D395 PolarHBondContact OH-O 3.32Å; Y277-H398 AromaticContact CE2-ND1 3.93Å; Y277-H398 AromaticContact CZ-ND1 3.85Å; Y277-H398 PolarHBondContact OH-ND1 2.97Å; Y277-F399 HydrophobicContact CD1-CB 4.29Å; Y277-F399 AromaticContact CD1-CD2 3.59Å; Y277-F399 HydrophobicContact CD1-CD2 3.59Å; Y277-F399 HydrophobicContact CD1-CE2 4.29Å; Y277-F399 HydrophobicContact CD1-CG 4.25Å; Y277-F399 AromaticContact CD2-CD2 3.86Å; Y277-F399 HydrophobicContact CD2-CD2 3.86Å; Y277-F399 HydrophobicContact CE1-CB 3.79Å; Y277-F399 AromaticContact CE1-CD2 3.97Å; Y277-F399 HydrophobicContact CE1-CD2 3.97Å; Y277-F399 HydrophobicContact CE1-CG 4.24Å; Y277-F399 HydrophobicContact CE2-CB 4.31Å; Y277-F399 HydrophobicContact CE2-CD2 4.22Å; Y277-F399 AromaticContact CG-CD2 3.51Å; Y277-F399 HydrophobicContact CG-CD2 3.51Å; Y277-F399 HydrophobicContact CG-CE2 4.04Å; Y277-K402 HydrophobicContact CD2-CD 4.48Å; Y277-K402 HydrophobicContact CE2-CD 4.07Å
278L89.3Confident92.1Very high38 Ų3842.4 Ų42.420%0.19924%0.236CC..Hα-helixtrans-65.8-34.9176.9-65.9173.5000112V274 R275 A367 N370 Q372 V394V274-L278 HydrophobicContact CG1-CD1 3.78Å; V274-L278 HydrophobicContact CG1-CG 4.18Å; V274-L278 VanDerWaalsContact O-CG 3.25Å; V274-L278 WeakPolarHBondContact O-CG 3.25Å; V274-L278 PolarHBondContact O-N 3.47Å; R275-L278 PolarHBondContact O-N 2.83Å; L278-A367 HydrophobicContact CD1-CB 4.04Å; L278-A367 HydrophobicContact CD2-CB 4.31Å; L278-N370 HydrophobicContact CD1-CB 4.16Å; L278-Q372 HydrophobicContact CD2-CG 4.33Å; L278-V394 HydrophobicContact CD2-CG1 3.73Å; L278-V394 HydrophobicContact CD2-CG2 4.5Å
279D89.9Confident92.4Very high116 Ų11641 Ų4162%0.6223%0.23SC*.Hα-helixtrans-80-34.5-179-68.2-19.2000112.8R275 S276 Y277R275-D279 IonicContact NE-OD2 3.55Å; R275-D279 WeakPolarHBondContact O-CB 3.19Å; R275-D279 VanDerWaalsContact O-CG 3.25Å; R275-D279 PolarHBondContact O-N 3.14Å; S276-D279 PolarHBondContact O-N 2.96Å; Y277-D279 VanDerWaalsContact C-N 3.3Å; Y277-D279 PolarHBondContact O-N 3.31Å
280T90.9Very high92.4Very high85 Ų8540.7 Ų40.752%0.52123%0.229SC..Hα-helixtrans-122.3-9.3-170.270.30000115S276 N282S276-T280 WeakPolarHBondContact O-CB 3.35Å; S276-T280 PolarHBondContact O-N 3.35Å; S276-T280 PolarHBondContact O-OG1 3.35Å; T280-N282 PolarHBondContact O-N 2.83Å; T280-N282 PolarHBondContact OG1-N 3.35Å; T280-N282 PolarHBondContact OG1-O 3.05Å
281G89.3Confident92.4Very high31 Ų3144.4 Ų44.432%0.3225%0.249SC..SBendtrans72.6-0.8-169.200000114.5Y277 K402Y277-G281 WeakPolarHBondContact CD2-O 3.16Å; Y277-G281 WeakPolarHBondContact CE2-O 3.4Å; Y277-G281 WeakPolarHBondContact O-CA 3.16Å; Y277-G281 PolarHBondContact O-N 3.47Å; G281-K402 PolarHBondContact O-NZ 2.88Å
282N91.7Very high92.4Very high94 Ų9448.8 Ų48.850%0.50327%0.268SS..SBendtrans-119.3145-172.8-68-44.3000113.1Y277 T280 K402Y277-N282 WeakPolarHBondContact CA-O 3.3Å; Y277-N282 PolarHBondContact N-O 3.49Å; T280-N282 PolarHBondContact O-N 2.83Å; T280-N282 PolarHBondContact OG1-N 3.35Å; T280-N282 PolarHBondContact OG1-O 3.05Å; N282-K402 PolarHBondContact OD1-NZ 2.81Å
283V93.3Very high92.3Very high18 Ų1847.2 Ų47.211%0.10926%0.259CS..PPolyproline II helixtrans-86.4121.4174.3170.60000108.8I273 Y277 F399 K402 L403I273-V283 HydrophobicContact CG2-CG1 3.96Å; I273-V283 HydrophobicContact CG2-CG2 4.32Å; Y277-V283 HydrophobicContact CD2-CG2 4.27Å; V283-F399 HydrophobicContact CG2-CD2 4.09Å; V283-F399 HydrophobicContact CG2-CE2 4.04Å; V283-K402 HydrophobicContact CB-CB 4.28Å; V283-K402 HydrophobicContact CG2-CB 3.62Å; V283-L403 HydrophobicContact CG1-CD2 3.95Å; V283-L403 HydrophobicContact CG2-CG 4.45Å
284P93.2Very high92Very high10 Ų1050.3 Ų50.37%0.06528%0.281CS..PPolyproline II helixtrans-67.6151.1177.226.7-33.2000111.5I273 V289I273-P284 HydrophobicContact CG1-CG 4.11Å; P284-V289 HydrophobicContact CB-CG2 3.75Å; P284-V289 HydrophobicContact CG-CG2 3.42Å; P284-V289 VanDerWaalsContact CG-CG2 3.42Å
285G92.9Very high91.7Very high37 Ų3751.6 Ų51.638%0.38129%0.288SS..PPolyproline II helixtrans-69.3154.618000000112.9V287 Q288 V289G285-V287 VanDerWaalsContact C-N 3.26Å; G285-V287 PolarHBondContact O-N 3.03Å; G285-Q288 PolarHBondContact O-N 3.3Å; G285-V289 PolarHBondContact O-N 2.91Å; G285-V289 VanDerWaalsContact O-N 3.08Å
286I94.7Very high91.1Very high29 Ų2952.9 Ų52.915%0.14929%0.292CS..Hα-helixtrans-51.4-44.3-177.8-61.3171.5000112.2R261 C263 N290 R407 W408R261-I286 HydrophobicContact CB-CG2 4.35Å; C263-I286 HydrophobicContact CB-CD1 4.29Å; I286-N290 WeakPolarHBondContact CG2-ND2 3.49Å; I286-N290 VanDerWaalsContact O-CB 3.32Å; I286-N290 WeakPolarHBondContact O-CB 3.35Å; I286-N290 PolarHBondContact O-N 2.59Å; I286-N290 PolarHBondContact O-ND2 3.21Å; I286-R407 HydrophobicContact CD1-CB 4.17Å; I286-R407 WeakPolarHBondContact CD1-O 3.4Å; I286-W408 HydrophobicContact CB-CH2 4.49Å; I286-W408 HydrophobicContact CB-CZ2 4.26Å; I286-W408 HydrophobicContact CG1-CD2 4.12Å; I286-W408 HydrophobicContact CG1-CH2 4.34Å; I286-W408 HydrophobicContact CG1-CZ2 3.92Å; I286-W408 HydrophobicContact CG2-CH2 4.42Å
287V94Very high90.1Very high63 Ų6351.6 Ų51.638%0.38228%0.284SS..Hα-helixtrans-63.3-45.6-179.1-178.60000111.2R261 G285 N290 L291R261-V287 HydrophobicContact CG-CG2 4.48Å; G285-V287 VanDerWaalsContact C-N 3.26Å; G285-V287 PolarHBondContact O-N 3.03Å; V287-N290 PolarHBondContact O-N 3.29Å; V287-L291 HydrophobicContact CG1-CD1 3.96Å; V287-L291 VanDerWaalsContact O-CG 3.23Å; V287-L291 WeakPolarHBondContact O-CG 3.07Å; V287-L291 PolarHBondContact O-N 3.44Å; V287-L291 VanDerWaalsContact O-N 3.09Å
288Q93.9Very high89Confident97 Ų9750.8 Ų50.845%0.45328%0.28SS..Hα-helixtrans-62.7-49.5-179.1-178.6-177.3-8.700110.8G285 N290 L291 E292G285-Q288 PolarHBondContact O-N 3.3Å; Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-N 3.18Å; Q288-L291 WeakPolarHBondContact O-CB 3.34Å; Q288-L291 PolarHBondContact O-N 3.49Å; Q288-E292 VanDerWaalsContact CG-OE1 3.25Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.31Å; Q288-E292 PolarHBondContact NE2-OE1 3.44Å; Q288-E292 PolarHBondContact O-N 3.29Å
289V94.7Very high87.6Confident0 Ų051.6 Ų51.60%029%0.285CS..Hα-helixtrans-61.7-42.7-179.7177.30000111.6R269 I273 P284 G285 L291 E292 E293 W408R269-V289 HydrophobicContact CB-CG1 3.72Å; R269-V289 HydrophobicContact CG-CG1 3.77Å; I273-V289 HydrophobicContact CD1-CG1 4.26Å; I273-V289 HydrophobicContact CD1-CG2 4.37Å; I273-V289 HydrophobicContact CG1-CG1 4.11Å; I273-V289 HydrophobicContact CG1-CG2 3.73Å; P284-V289 HydrophobicContact CB-CG2 3.75Å; P284-V289 HydrophobicContact CG-CG2 3.42Å; P284-V289 VanDerWaalsContact CG-CG2 3.42Å; G285-V289 PolarHBondContact O-N 2.91Å; G285-V289 VanDerWaalsContact O-N 3.08Å; V289-L291 PolarHBondContact O-N 2.99Å; V289-E292 PolarHBondContact O-N 3.42Å; V289-E293 PolarHBondContact O-N 3.14Å; V289-W408 HydrophobicContact CB-CH2 3.9Å; V289-W408 HydrophobicContact CB-CZ2 3.83Å; V289-W408 HydrophobicContact CG1-CH2 3.83Å; V289-W408 HydrophobicContact CG1-CZ2 4.1Å; V289-W408 HydrophobicContact CG2-CH2 4.39Å; V289-W408 HydrophobicContact CG2-CZ2 3.85Å
290N94.6Very high86.5Confident3 Ų351.9 Ų51.92%0.01628%0.281CS..Hα-helixtrans-65.2-25.7177.3-85.3-88.8000113.1K140 L260 F262 I286 V287 Q288K140-N290 PolarHBondContact NZ-O 3Å; K140-N290 VanDerWaalsContact NZ-O 3.1Å; K140-N290 PolarHBondContact NZ-OD1 3.43Å; L260-N290 PolarHBondContact O-OD1 3.49Å; F262-N290 PolarHBondContact N-ND2 2.92Å; F262-N290 PolarHBondContact N-OD1 2.79Å; F262-N290 PolarHBondContact O-ND2 3.41Å; I286-N290 WeakPolarHBondContact CG2-ND2 3.49Å; I286-N290 VanDerWaalsContact O-CB 3.32Å; I286-N290 WeakPolarHBondContact O-CB 3.35Å; I286-N290 PolarHBondContact O-N 2.59Å; I286-N290 PolarHBondContact O-ND2 3.21Å; V287-N290 PolarHBondContact O-N 3.29Å; Q288-N290 VanDerWaalsContact C-N 3.34Å; Q288-N290 PolarHBondContact O-N 3.18Å
291L92.6Very high85Confident80 Ų8050.6 Ų50.642%0.41927%0.273SS..Hα-helixtrans-83.4-25.1174.5-70.6170.8000112.8R258 V287 Q288 V289R258-L291 PolarHBondContact NH1-O 3.04Å; R258-L291 VanDerWaalsContact NH2-CD2 3.26Å; R258-L291 PolarHBondContact NH2-O 3.46Å; V287-L291 HydrophobicContact CG1-CD1 3.96Å; V287-L291 VanDerWaalsContact O-CG 3.23Å; V287-L291 WeakPolarHBondContact O-CG 3.07Å; V287-L291 PolarHBondContact O-N 3.44Å; V287-L291 VanDerWaalsContact O-N 3.09Å; Q288-L291 WeakPolarHBondContact O-CB 3.34Å; Q288-L291 PolarHBondContact O-N 3.49Å; V289-L291 PolarHBondContact O-N 2.99Å
292E91.4Very high83.7Confident105 Ų10557.7 Ų57.749%0.49129%0.29SS..Hα-helixtrans-90.8-15.6176.4-69.6176.9-156.400112.8L272 Q288 V289 S294L272-E292 HydrophobicContact CD1-CB 4.12Å; Q288-E292 VanDerWaalsContact CG-OE1 3.25Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.31Å; Q288-E292 PolarHBondContact NE2-OE1 3.44Å; Q288-E292 PolarHBondContact O-N 3.29Å; V289-E292 PolarHBondContact O-N 3.42Å; E292-S294 PolarHBondContact O-N 3.3Å
293E90.9Very high82Confident8 Ų854.6 Ų54.64%0.03728%0.275CS..SBendtrans-55.7127.3177.5-176176.7-155.400112K140 N266 K268 R269 V289 L295K140-E293 WeakPolarHBondContact CD-OE2 3.41Å; K140-E293 IonicContact NZ-OE2 3.94Å; K140-E293 PolarHBondContact NZ-OE2 3.03Å; N266-E293 PolarHBondContact ND2-OE1 3.2Å; K268-E293 HydrophobicContact CB-CG 4.41Å; R269-E293 HydrophobicContact CG-CB 4.34Å; R269-E293 HydrophobicContact CG-CG 4.12Å; R269-E293 IonicContact NE-OE1 3.94Å; R269-E293 PolarHBondContact NE-OE1 3.29Å; R269-E293 IonicContact NE-OE2 3.69Å; V289-E293 PolarHBondContact O-N 3.14Å; E293-L295 PolarHBondContact O-N 3.27Å
294S86.7Confident80.6Confident66 Ų6654.1 Ų54.146%0.46227%0.272SS..  trans-69.1129.3175.2178.90000111.1E292 W296E292-S294 PolarHBondContact O-N 3.3Å; S294-W296 VanDerWaalsContact C-N 3.26Å; S294-W296 PolarHBondContact O-N 3.47Å; S294-W296 PolarHBondContact OG-N 3.06Å
295L86Confident79.3Confident27 Ų2760.9 Ų60.914%0.14130%0.296CS..  trans-84.43.1177.7-57-177.8000113.5K140 A141 L144 Y254 I257 E293K140-L295 HydrophobicContact CB-CD2 4.04Å; K140-L295 HydrophobicContact CD-CD2 4.08Å; A141-L295 WeakPolarHBondContact CA-O 3.34Å; A141-L295 WeakPolarHBondContact CB-O 3.43Å; L144-L295 HydrophobicContact CD2-CB 4.09Å; L144-L295 HydrophobicContact CD2-CD1 4.32Å; Y254-L295 HydrophobicContact CD2-CD1 3.85Å; Y254-L295 HydrophobicContact CE2-CD1 3.61Å; I257-L295 HydrophobicContact CG2-CD1 4.45Å; I257-L295 HydrophobicContact CG2-CD2 3.73Å; E293-L295 PolarHBondContact O-N 3.27Å
296W79.3Confident78.1Confident152 Ų15260.3 Ų60.358%0.57629%0.29SS*.SBendtrans-80.8134176.7-160.4-93.5000110.9K268 S294 F300 T301K268-W296 PolarHBondContact NZ-O 2.98Å; S294-W296 VanDerWaalsContact C-N 3.26Å; S294-W296 PolarHBondContact O-N 3.47Å; S294-W296 PolarHBondContact OG-N 3.06Å; W296-F300 AromaticContact NE1-CD2 3.96Å; W296-F300 AromaticContact NE1-CG 3.85Å; W296-T301 HydrophobicContact CB-CG2 4.47Å; W296-T301 HydrophobicContact CG-CG2 4.28Å
297P71Confident77.4Confident5 Ų560.8 Ų60.83%0.03229%0.289CS..  trans-63.1139-176.7-23.132.7000113.8A141 T145 L299 F300 T301A141-P297 HydrophobicContact CB-CB 4.35Å; A141-P297 HydrophobicContact CB-CG 4.14Å; T145-P297 HydrophobicContact CG2-CG 4.46Å; T145-P297 WeakPolarHBondContact OG1-CG 3.35Å; P297-L299 PolarHBondContact O-N 2.83Å; P297-F300 HydrophobicContact CB-CD2 3.9Å; P297-F300 HydrophobicContact CB-CE2 4.36Å; P297-F300 HydrophobicContact CG-CD2 4Å; P297-F300 HydrophobicContact CG-CE2 4.23Å; P297-F300 PolarHBondContact O-N 2.81Å; P297-T301 PolarHBondContact O-N 3.01Å; P297-T301 PolarHBondContact O-OG1 3.49Å
298S68.6Low77Confident2 Ų258.2 Ų58.21%0.01427%0.274CS..Hα-helixtrans-60.2-25.2174.949.90000113.2D138 F300 T301 R302D138-S298 WeakPolarHBondContact OD2-CA 3.34Å; D138-S298 WeakPolarHBondContact OD2-CB 2.87Å; D138-S298 PolarHBondContact OD2-N 2.79Å; D138-S298 PolarHBondContact OD2-OG 2.82Å; S298-F300 PolarHBondContact O-N 2.84Å; S298-T301 WeakPolarHBondContact CA-OG1 3.37Å; S298-T301 PolarHBondContact O-N 2.88Å; S298-R302 CarbonylContact O-C 3.46Å; S298-R302 WeakPolarHBondContact O-CA 3.41Å; S298-R302 PolarHBondContact O-N 3.19Å
299L60.7Low76.7Confident55 Ų5554.6 Ų54.629%0.28826%0.259SS..Hα-helixtrans-57.1-32.9174.3-166.2139.4000111.9F130 W142 P297F130-L299 HydrophobicContact CE1-CD1 3.96Å; W142-L299 HydrophobicContact CH2-CD1 4.14Å; W142-L299 HydrophobicContact CZ2-CB 4.33Å; W142-L299 HydrophobicContact CZ2-CD1 4.21Å; P297-L299 PolarHBondContact O-N 2.83Å
300F65.4Low76.5Confident123 Ų12354.8 Ų54.854%0.53926%0.26SS..Hα-helixtrans-92.8-25.2176.9-60.3-66.6000113.7W296 P297 S298W296-F300 AromaticContact NE1-CD2 3.96Å; W296-F300 AromaticContact NE1-CG 3.85Å; P297-F300 HydrophobicContact CB-CD2 3.9Å; P297-F300 HydrophobicContact CB-CE2 4.36Å; P297-F300 HydrophobicContact CG-CD2 4Å; P297-F300 HydrophobicContact CG-CE2 4.23Å; P297-F300 PolarHBondContact O-N 2.81Å; S298-F300 PolarHBondContact O-N 2.84Å
301T59.7Low76.3Confident58 Ų5854.6 Ų54.636%0.35626%0.259SS..Hα-helixtrans-100.7-6.4179.2570000115W296 P297 S298 R305W296-T301 HydrophobicContact CB-CG2 4.47Å; W296-T301 HydrophobicContact CG-CG2 4.28Å; P297-T301 PolarHBondContact O-N 3.01Å; P297-T301 PolarHBondContact O-OG1 3.49Å; S298-T301 WeakPolarHBondContact CA-OG1 3.37Å; S298-T301 PolarHBondContact O-N 2.88Å; T301-R305 CarbonylContact O-C 3.6Å; T301-R305 WeakPolarHBondContact O-CA 3.45Å
302R62Low76.2Confident179 Ų17951.3 Ų51.368%0.67524%0.243SC*.  trans58.1151.2-164.9-62.9-177.7179.6-178.5-0.8114.5S298 R305 G306S298-R302 CarbonylContact O-C 3.46Å; S298-R302 WeakPolarHBondContact O-CA 3.41Å; S298-R302 PolarHBondContact O-N 3.19Å; R302-R305 WeakPolarHBondContact O-CA 3.41Å; R302-R305 PolarHBondContact O-N 2.98Å; R302-R305 VanDerWaalsContact O-N 3.08Å; R302-G306 VanDerWaalsContact CB-CA 3.4Å
303P57.3Low76Confident30 Ų3047.1 Ų47.120%0.19523%0.225CC..G310 helixtrans-57.1140.1175.1-20.532.2000110.9R305 G306 I416P303-R305 PolarHBondContact O-N 3.05Å; P303-G306 WeakPolarHBondContact O-CA 3.2Å; P303-G306 PolarHBondContact O-N 2.99Å; P303-I416 HydrophobicContact CB-CD1 4.18Å; P303-I416 HydrophobicContact CG-CD1 3.59Å
304F62.7Low75.7Confident7 Ų751.1 Ų51.13%0.03125%0.245CC..G310 helixtrans4930.6-173.6-60.3-80.4000114.2E267 F270 G306 R307 M308 L310 E366 F415E267-F304 HydrophobicContact CB-CD1 3.84Å; E267-F304 HydrophobicContact CB-CD2 4.04Å; E267-F304 HydrophobicContact CB-CE1 3.65Å; E267-F304 HydrophobicContact CB-CE2 3.85Å; E267-F304 HydrophobicContact CB-CG 4.02Å; E267-F304 HydrophobicContact CB-CZ 3.65Å; E267-F304 HydrophobicContact CG-CD1 4.3Å; E267-F304 HydrophobicContact CG-CD2 3.67Å; E267-F304 HydrophobicContact CG-CE1 3.91Å; E267-F304 HydrophobicContact CG-CE2 3.21Å; E267-F304 HydrophobicContact CG-CG 4.19Å; E267-F304 HydrophobicContact CG-CZ 3.35Å; F270-F304 HydrophobicContact CD1-CE1 4.07Å; F304-G306 PolarHBondContact O-N 3.29Å; F304-R307 PolarHBondContact O-N 3.36Å; F304-R307 PolarHBondContact O-NE 3.45Å; F304-M308 HydrophobicContact CB-CB 3.85Å; F304-M308 HydrophobicContact CB-CE 4.43Å; F304-M308 HydrophobicContact CD1-CE 3.35Å; F304-M308 HydrophobicContact CD2-CB 3.97Å; F304-M308 HydrophobicContact CD2-CE 3.38Å; F304-M308 HydrophobicContact CD2-CG 4.3Å; F304-M308 HydrophobicContact CE1-CE 3.17Å; F304-M308 HydrophobicContact CE2-CE 3.21Å; F304-M308 HydrophobicContact CG-CB 3.98Å; F304-M308 HydrophobicContact CG-CE 3.45Å; F304-M308 VanDerWaalsContact CG-CE 3.45Å; F304-M308 HydrophobicContact CZ-CE 3.1Å; F304-L310 HydrophobicContact CE2-CD1 3.87Å; F304-L310 HydrophobicContact CE2-CG 4.31Å; F304-L310 HydrophobicContact CZ-CD1 4.15Å; F304-E366 HydrophobicContact CD1-CG 4.34Å; F304-F415 HydrophobicContact CZ-CD2 4.46Å; F304-F415 HydrophobicContact CZ-CG 4.44Å
305R65.8Low75.6Confident153 Ų15351.7 Ų51.758%0.57725%0.249SC*.G310 helixtrans63.724.5-172.8-49.1174.7177179.3-2.8114.1T301 R302 P303 R307T301-R305 CarbonylContact O-C 3.6Å; T301-R305 WeakPolarHBondContact O-CA 3.45Å; R302-R305 WeakPolarHBondContact O-CA 3.41Å; R302-R305 PolarHBondContact O-N 2.98Å; R302-R305 VanDerWaalsContact O-N 3.08Å; P303-R305 PolarHBondContact O-N 3.05Å; R305-R307 VanDerWaalsContact C-N 3.32Å
306G69.2Low75.3Confident24 Ų2452.7 Ų52.725%0.24726%0.262CS..G310 helixtrans75.417.2-177.200000114.5R302 P303 F304 H344R302-G306 VanDerWaalsContact CB-CA 3.4Å; P303-G306 WeakPolarHBondContact O-CA 3.2Å; P303-G306 PolarHBondContact O-N 2.99Å; F304-G306 PolarHBondContact O-N 3.29Å; G306-H344 PolarHBondContact O-ND1 2.81Å
307R79.2Confident75.2Confident39 Ų3945.6 Ų45.615%0.14724%0.235CC..THydrogen-bonded Turntrans-102.7-8.7-174.4-58.4-177.9-53.7148.96113.9F304 R305 H344 V345 E366 M369F304-R307 PolarHBondContact O-N 3.36Å; F304-R307 PolarHBondContact O-NE 3.45Å; R305-R307 VanDerWaalsContact C-N 3.32Å; R307-H344 VanDerWaalsContact C-ND1 3.32Å; R307-H344 WeakPolarHBondContact O-CA 3.4Å; R307-H344 PolarHBondContact O-ND1 3.22Å; R307-V345 PolarHBondContact O-N 2.95Å; R307-E366 IonicContact CZ-OE2 2.94Å; R307-E366 VanDerWaalsContact NH2-CD 3.33Å; R307-E366 IonicContact NH2-OE1 3.74Å; R307-E366 PolarHBondContact NH2-OE1 3.46Å; R307-E366 IonicContact NH2-OE2 3.19Å; R307-E366 PolarHBondContact NH2-OE2 3.4Å; R307-M369 HydrophobicContact CB-CE 3.68Å; R307-M369 VanDerWaalsContact CD-CE 3.5Å; R307-M369 HydrophobicContact CG-CE 3.94Å
308M85.9Confident75.4Confident10 Ų1050 Ų505%0.04926%0.258CS..EExtended strand (participates in β ladder)trans-142.1142179.6-179.416567.100111.6F304 L310 V345 V347 A362 A365F304-M308 HydrophobicContact CB-CB 3.85Å; F304-M308 HydrophobicContact CB-CE 4.43Å; F304-M308 HydrophobicContact CD1-CE 3.35Å; F304-M308 HydrophobicContact CD2-CB 3.97Å; F304-M308 HydrophobicContact CD2-CE 3.38Å; F304-M308 HydrophobicContact CD2-CG 4.3Å; F304-M308 HydrophobicContact CE1-CE 3.17Å; F304-M308 HydrophobicContact CE2-CE 3.21Å; F304-M308 HydrophobicContact CG-CB 3.98Å; F304-M308 HydrophobicContact CG-CE 3.45Å; F304-M308 VanDerWaalsContact CG-CE 3.45Å; F304-M308 HydrophobicContact CZ-CE 3.1Å; M308-L310 HydrophobicContact CE-CD2 4.23Å; M308-L310 HydrophobicContact CE-CG 4.41Å; M308-L310 HydrophobicContact CG-CD2 4.4Å; M308-L310 HydrophobicContact SD-CD2 4.04Å; M308-V345 VanDerWaalsContact CA-O 3.23Å; M308-V345 WeakPolarHBondContact CA-O 3.36Å; M308-V347 HydrophobicContact CG-CG2 4.09Å; M308-V347 HydrophobicContact SD-CG2 3.96Å; M308-A362 HydrophobicContact CE-CB 3.9Å; M308-A365 HydrophobicContact CG-CB 4.42Å; M308-A365 HydrophobicContact SD-CB 3.18Å; M308-A365 WeakPolarHBondContact SD-CB 2.99Å
309S87.6Confident75.5Confident21 Ų2157 Ų5715%0.14730%0.295CS..EExtended strand (participates in β ladder)trans-119.3133.8167.265.60000108.8V345 D346 V347S309-V345 PolarHBondContact N-O 2.95Å; S309-D346 WeakPolarHBondContact OG-CA 3.45Å; S309-D346 PolarHBondContact OG-OD1 3.16Å; S309-V347 WeakPolarHBondContact O-CB 3.4Å; S309-V347 WeakPolarHBondContact O-CG2 3.18Å; S309-V347 PolarHBondContact O-N 3.3Å
310L90.2Very high75.9Confident3 Ų359 Ų592%0.01630%0.298CS..EExtended strand (participates in β ladder)trans-107.2129.7176-66.3173.4000108.5F304 M308 V347 I358 A362 F415 V417 D418F304-L310 HydrophobicContact CE2-CD1 3.87Å; F304-L310 HydrophobicContact CE2-CG 4.31Å; F304-L310 HydrophobicContact CZ-CD1 4.15Å; M308-L310 HydrophobicContact CE-CD2 4.23Å; M308-L310 HydrophobicContact CE-CG 4.41Å; M308-L310 HydrophobicContact CG-CD2 4.4Å; M308-L310 HydrophobicContact SD-CD2 4.04Å; L310-V347 HydrophobicContact CD2-CB 3.81Å; L310-V347 HydrophobicContact CD2-CG1 3.96Å; L310-V347 HydrophobicContact CD2-CG2 3.78Å; L310-I358 HydrophobicContact CD1-CG2 4.39Å; L310-A362 HydrophobicContact CD2-CB 4.38Å; L310-F415 HydrophobicContact CD1-CB 4.01Å; L310-F415 HydrophobicContact CD1-CD2 3.81Å; L310-F415 HydrophobicContact CD1-CG 4.28Å; L310-V417 HydrophobicContact CB-CB 4.39Å; L310-V417 HydrophobicContact CB-CG1 4.22Å; L310-V417 HydrophobicContact CB-CG2 4.08Å; L310-V417 HydrophobicContact CD1-CG2 4.12Å; L310-D418 PolarHBondContact O-N 3.33Å
311G90.5Very high75.9Confident0 Ų061.7 Ų61.70%031%0.31CS..SBendtrans79.635.5-177.200000113.5V347 D418 Y420G311-V347 WeakPolarHBondContact CA-O 3.34Å; G311-V347 PolarHBondContact N-O 3.21Å; G311-D418 VanDerWaalsContact O-CB 3.24Å; G311-D418 WeakPolarHBondContact O-CB 3.06Å; G311-Y420 WeakPolarHBondContact O-CB 3.19Å
312A89.4Confident76Confident10 Ų1061 Ų618%0.08331%0.311CS..  trans-68.7148.7-178.400000112.6V317 D346 V347A312-V317 HydrophobicContact CB-CG2 4.03Å; A312-D346 HydrophobicContact CB-CB 3.98Å; A312-V347 PolarHBondContact N-O 2.98Å
313S88.9Confident76.2Confident17 Ų1754.4 Ų54.412%0.11929%0.288CS..  trans-72.5132.5175.7-172.70000112S315 A316 V317S313-S315 VanDerWaalsContact C-N 3.32Å; S313-S315 PolarHBondContact O-N 3.05Å; S313-S315 PolarHBondContact OG-OG 3.28Å; S313-S315 VanDerWaalsContact OG-OG 3.12Å; S313-A316 PolarHBondContact O-N 3.42Å; S313-V317 VanDerWaalsContact O-CG2 3.29Å; S313-V317 WeakPolarHBondContact O-CG2 3.49Å; S313-V317 PolarHBondContact O-N 3.04Å
314M83.8Confident76.7Confident93 Ų9353.2 Ų53.246%0.45828%0.28SS..Hα-helixtrans-58.4-40.9177.8-174.860.8149.700112.5V317 L318 L348M314-V317 PolarHBondContact O-N 2.76Å; M314-L318 HydrophobicContact CE-CD1 4.5Å; M314-L318 HydrophobicContact CE-CD2 4.34Å; M314-L318 HydrophobicContact CG-CD1 3.84Å; M314-L318 HydrophobicContact CG-CG 4.15Å; M314-L318 WeakPolarHBondContact O-CB 3.21Å; M314-L318 VanDerWaalsContact O-CG 3.28Å; M314-L318 WeakPolarHBondContact O-CG 3.33Å; M314-L318 PolarHBondContact O-N 3.35Å; M314-L318 HydrophobicContact SD-CD1 4.35Å; M314-L318 HydrophobicContact SD-CD2 4.43Å; M314-L318 HydrophobicContact SD-CG 4.1Å; M314-L348 HydrophobicContact CB-CD2 3.87Å; M314-L348 HydrophobicContact CG-CD2 4.25Å; M314-L348 HydrophobicContact SD-CD2 3.42Å; M314-L348 WeakPolarHBondContact SD-CD2 3.32Å
315S83.6Confident77.2Confident77 Ų7757.9 Ų57.954%0.53830%0.301SS..Hα-helixtrans-63.8-44.4178.555.40000112S313 V317 L318S313-S315 VanDerWaalsContact C-N 3.32Å; S313-S315 PolarHBondContact O-N 3.05Å; S313-S315 PolarHBondContact OG-OG 3.28Å; S313-S315 VanDerWaalsContact OG-OG 3.12Å; S315-V317 PolarHBondContact O-N 3.45Å; S315-L318 PolarHBondContact O-N 2.85Å
316A80Confident77.7Confident49 Ų4952.7 Ų52.741%0.40528%0.281SS..Hα-helixtrans-62.8-26.7177.800000113S313S313-A316 PolarHBondContact O-N 3.42Å
317V77.2Confident78.2Confident2 Ų254.7 Ų54.71%0.01229%0.292CS..Hα-helixtrans-88.4-38.3-179173.60000111.6A312 S313 M314 S315 D319 R320 R334 D346 L348A312-V317 HydrophobicContact CB-CG2 4.03Å; S313-V317 VanDerWaalsContact O-CG2 3.29Å; S313-V317 WeakPolarHBondContact O-CG2 3.49Å; S313-V317 PolarHBondContact O-N 3.04Å; M314-V317 PolarHBondContact O-N 2.76Å; S315-V317 PolarHBondContact O-N 3.45Å; V317-D319 PolarHBondContact O-N 2.82Å; V317-R320 PolarHBondContact O-N 2.64Å; V317-R334 HydrophobicContact CG1-CB 4.03Å; V317-R334 HydrophobicContact CG1-CG 3.76Å; V317-R334 VanDerWaalsContact CG1-NE 3.31Å; V317-R334 PolarHBondContact O-NE 2.97Å; V317-R334 PolarHBondContact O-NH2 3.33Å; V317-D346 HydrophobicContact CG2-CB 3.65Å; V317-L348 HydrophobicContact CG1-CD1 4.4Å
318L76.9Confident78.3Confident98 Ų9854.7 Ų54.751%0.51330%0.296SS..Hα-helixtrans-61.3-38.4-178-78.9171.3000113.3M314 S315 R320 R334M314-L318 HydrophobicContact CE-CD1 4.5Å; M314-L318 HydrophobicContact CE-CD2 4.34Å; M314-L318 HydrophobicContact CG-CD1 3.84Å; M314-L318 HydrophobicContact CG-CG 4.15Å; M314-L318 WeakPolarHBondContact O-CB 3.21Å; M314-L318 VanDerWaalsContact O-CG 3.28Å; M314-L318 WeakPolarHBondContact O-CG 3.33Å; M314-L318 PolarHBondContact O-N 3.35Å; M314-L318 HydrophobicContact SD-CD1 4.35Å; M314-L318 HydrophobicContact SD-CD2 4.43Å; M314-L318 HydrophobicContact SD-CG 4.1Å; S315-L318 PolarHBondContact O-N 2.85Å; L318-R320 PolarHBondContact O-N 2.87Å; L318-R334 PolarHBondContact O-NH2 3.26Å
319D70.1Confident78.2Confident148 Ų14861.6 Ų61.679%0.79133%0.333SS*.THydrogen-bonded Turntrans-65.4-9.9-178.1-70.3-17.9000114.4V317V317-D319 PolarHBondContact O-N 2.82Å
320R68.6Low78.2Confident97 Ų9762 Ų6237%0.36634%0.335SS..SBendtrans-103128.7-176.2-59.3180-179.1174.90.9110.8V317 L318 A322 R334 D346V317-R320 PolarHBondContact O-N 2.64Å; L318-R320 PolarHBondContact O-N 2.87Å; R320-A322 PolarHBondContact O-N 3.47Å; R320-R334 PolarHBondContact O-NH2 3.43Å; R320-D346 IonicContact NH1-OD2 3.21Å; R320-D346 PolarHBondContact NH1-OD2 3.05Å
321K66.3Low78.2Confident181 Ų18161.9 Ų61.979%0.78734%0.335SS*.PPolyproline II helixtrans-54.3118.7169.3-74.5-167.2175.7-164.90109.9
322A61.9Low78.1Confident44 Ų4463 Ų6336%0.36434%0.341SS..PPolyproline II helixtrans-86.8138.8-178.200000110.4R320 R334R320-A322 PolarHBondContact O-N 3.47Å; A322-R334 HydrophobicContact CB-CG 4.19Å
323N65.3Low78Confident39 Ų3962.5 Ų62.521%0.20934%0.337CS..SBendtrans-106.73.4173-62.9-14.6000111.6C335 S337 H386 Y388N323-C335 PolarHBondContact N-O 3.31Å; N323-C335 VanDerWaalsContact N-O 3.1Å; N323-S337 PolarHBondContact ND2-O 3.41Å; N323-S337 VanDerWaalsContact ND2-O 3.16Å; N323-H386 CarbonylContact C-O 3.57Å; N323-H386 WeakPolarHBondContact CA-O 3.43Å; N323-H386 HydrophobicContact CB-CB 4.18Å; N323-H386 CarbonylContact O-C 3.53Å; N323-Y388 VanDerWaalsContact O-CD2 3.28Å; N323-Y388 WeakPolarHBondContact O-CD2 3.37Å
324W67.5Low77.9Confident5 Ų563.2 Ų63.22%0.01934%0.337CS..EExtended strand (participates in β ladder)trans-171.6145.4-177.8-176.649.1000111.4Y326 L333 R334 C335 V345 F368 Y388 F390W324-Y326 HydrophobicContact CZ2-CG 4.28Å; W324-L333 HydrophobicContact CE3-CB 4.42Å; W324-L333 HydrophobicContact CH2-CB 3.68Å; W324-L333 HydrophobicContact CH2-CD1 3.67Å; W324-L333 HydrophobicContact CH2-CG 4.32Å; W324-L333 HydrophobicContact CZ3-CB 3.49Å; W324-L333 VanDerWaalsContact CZ3-CB 3.49Å; W324-L333 HydrophobicContact CZ3-CD1 4.2Å; W324-L333 HydrophobicContact CZ3-CG 4.47Å; W324-R334 WeakPolarHBondContact O-CA 3.39Å; W324-C335 HydrophobicContact CB-CB 3.77Å; W324-C335 HydrophobicContact CD2-CB 4.46Å; W324-C335 HydrophobicContact CE3-CB 3.8Å; W324-C335 HydrophobicContact CG-CB 4.5Å; W324-C335 PolarHBondContact O-N 3.37Å; W324-V345 HydrophobicContact CZ3-CG1 4.36Å; W324-F368 HydrophobicContact CB-CE2 4.45Å; W324-F368 HydrophobicContact CB-CZ 4.1Å; W324-F368 AromaticContact CD2-CD2 3.97Å; W324-F368 HydrophobicContact CD2-CD2 3.97Å; W324-F368 HydrophobicContact CD2-CE1 4.41Å; W324-F368 AromaticContact CD2-CE2 3.68Å; W324-F368 HydrophobicContact CD2-CE2 3.68Å; W324-F368 HydrophobicContact CD2-CG 4.43Å; W324-F368 AromaticContact CD2-CZ 3.92Å; W324-F368 HydrophobicContact CD2-CZ 3.92Å; W324-F368 AromaticContact CE2-CD2 3.88Å; W324-F368 AromaticContact CE2-CE2 3.89Å; W324-F368 HydrophobicContact CE3-CD1 4.16Å; W324-F368 HydrophobicContact CE3-CD2 4.19Å; W324-F368 HydrophobicContact CE3-CE1 4.14Å; W324-F368 HydrophobicContact CE3-CE2 4.15Å; W324-F368 HydrophobicContact CE3-CG 4.19Å; W324-F368 HydrophobicContact CE3-CZ 4.12Å; W324-F368 AromaticContact CG-CE2 3.82Å; W324-F368 HydrophobicContact CG-CE2 3.82Å; W324-F368 AromaticContact CG-CZ 3.93Å; W324-F368 HydrophobicContact CG-CZ 3.93Å; W324-F368 HydrophobicContact CH2-CB 4.21Å; W324-F368 HydrophobicContact CH2-CD2 4.17Å; W324-F368 HydrophobicContact CH2-CG 4.12Å; W324-F368 AromaticContact CZ2-CD2 3.99Å; W324-F368 HydrophobicContact CZ2-CD2 3.99Å; W324-F368 HydrophobicContact CZ2-CE2 4.46Å; W324-F368 HydrophobicContact CZ2-CG 4.41Å; W324-F368 HydrophobicContact CZ3-CB 4.38Å; W324-F368 HydrophobicContact CZ3-CD1 4.2Å; W324-F368 HydrophobicContact CZ3-CD2 4.28Å; W324-F368 HydrophobicContact CZ3-CG 4.02Å; W324-Y388 HydrophobicContact CB-CD2 4.17Å; W324-Y388 VanDerWaalsContact CD1-CB 3.41Å; W324-Y388 HydrophobicContact CG-CD2 4.38Å; W324-Y388 PolarHBondContact NE1-O 3.07Å; W324-F390 HydrophobicContact CH2-CD2 4.45Å; W324-F390 HydrophobicContact CZ2-CB 4.12Å; W324-F390 AromaticContact CZ2-CD2 3.77Å; W324-F390 HydrophobicContact CZ2-CD2 3.77Å; W324-F390 HydrophobicContact CZ2-CG 4.33Å
325F73.3Confident77.8Confident106 Ų10659 Ų5947%0.46532%0.317SS..EExtended strand (participates in β ladder)trans-144133.7176.3-174.5-95.8000109.6S327 I332 L333F325-S327 VanDerWaalsContact CE1-CB 3.41Å; F325-S327 WeakPolarHBondContact CE1-OG 3.35Å; F325-I332 HydrophobicContact CD2-CG2 3.85Å; F325-I332 HydrophobicContact CE2-CG2 3.17Å; F325-I332 HydrophobicContact CZ-CD1 4.43Å; F325-I332 HydrophobicContact CZ-CG1 4.42Å; F325-I332 HydrophobicContact CZ-CG2 3.58Å; F325-L333 WeakPolarHBondContact CA-O 3.14Å
326Y76.5Confident77.5Confident43 Ų4355.7 Ų55.717%0.16929%0.294CS..EExtended strand (participates in β ladder)trans-134.8130.3166.7174.7-98.1000107.8W324 T328 F331 I332 L333 F390W324-Y326 HydrophobicContact CZ2-CG 4.28Å; Y326-T328 HydrophobicContact CD1-CG2 4.42Å; Y326-T328 HydrophobicContact CE1-CG2 3.56Å; Y326-F331 AromaticContact CD1-CE2 3.93Å; Y326-F331 HydrophobicContact CD1-CE2 3.93Å; Y326-F331 AromaticContact CE1-CE2 3.72Å; Y326-F331 HydrophobicContact CE1-CE2 3.72Å; Y326-F331 AromaticContact CE1-CZ 3.98Å; Y326-F331 HydrophobicContact CE1-CZ 3.98Å; Y326-I332 CarbonylContact O-C 3.56Å; Y326-I332 WeakPolarHBondContact O-CA 3.26Å; Y326-L333 HydrophobicContact CD1-CD1 3.7Å; Y326-L333 HydrophobicContact CD1-CG 4.12Å; Y326-L333 HydrophobicContact CE1-CD1 4.45Å; Y326-L333 HydrophobicContact CG-CD1 4.41Å; Y326-L333 PolarHBondContact N-O 3.24Å; Y326-L333 PolarHBondContact O-N 3.15Å; Y326-F390 HydrophobicContact CD2-CB 3.46Å; Y326-F390 VanDerWaalsContact CD2-CB 3.46Å; Y326-F390 HydrophobicContact CD2-CD1 4.25Å; Y326-F390 AromaticContact CD2-CG 4Å; Y326-F390 HydrophobicContact CD2-CG 4Å; Y326-F390 HydrophobicContact CE2-CB 3.94Å; Y326-F390 AromaticContact CE2-CD1 3.93Å; Y326-F390 HydrophobicContact CE2-CD1 3.93Å; Y326-F390 HydrophobicContact CE2-CG 4.16Å; Y326-F390 HydrophobicContact CG-CB 4.25Å
327S79.1Confident77.1Confident67 Ų6755.7 Ų55.747%0.46929%0.291SS..EExtended strand (participates in β ladder)trans-130.5134.2-178.355.20000110.2F325F325-S327 VanDerWaalsContact CE1-CB 3.41Å; F325-S327 WeakPolarHBondContact CE1-OG 3.35Å
328T82.6Confident76.7Confident38 Ų3860.7 Ų60.723%0.23331%0.314CS..  trans-112.8-179.8161.865.10000108.1Y326 S330 F331Y326-T328 HydrophobicContact CD1-CG2 4.42Å; Y326-T328 HydrophobicContact CE1-CG2 3.56Å; T328-S330 PolarHBondContact O-N 2.89Å; T328-S330 PolarHBondContact OG1-N 3.16Å; T328-F331 HydrophobicContact CG2-CE1 3.93Å; T328-F331 HydrophobicContact CG2-CE2 4.06Å; T328-F331 HydrophobicContact CG2-CZ 3.65Å; T328-F331 PolarHBondContact N-O 3.49Å; T328-F331 WeakPolarHBondContact OG1-CD1 3.38Å; T328-F331 VanDerWaalsContact OG1-CE1 3.31Å; T328-F331 WeakPolarHBondContact OG1-CE1 3.4Å; T328-F331 WeakPolarHBondContact OG1-CG 3.49Å; T328-F331 PolarHBondContact OG1-N 3.19Å; T328-F331 PolarHBondContact OG1-O 3.03Å
329D82.8Confident76.2Confident156 Ų15668.2 Ų68.283%0.83434%0.335SS*.SBendtrans-65.6-29.6173.7-62.3-27.9000111.3
330S88.4Confident75.9Confident28 Ų2865.6 Ų65.620%0.19634%0.343CS..SBendtrans-100.4-22.3-171.5-49.90000114.9T328 A350T328-S330 PolarHBondContact O-N 2.89Å; T328-S330 PolarHBondContact OG1-N 3.16Å; S330-A350 WeakPolarHBondContact O-CB 3.31Å; S330-A350 PolarHBondContact O-N 2.73Å
331F90.2Very high76Confident1 Ų165 Ų650%0.00435%0.353CS..EExtended strand (participates in β ladder)trans-154.7159179.363.8-92.7000113Y326 T328 L333 L348 L349 D357 E360 A361 Y422Y326-F331 AromaticContact CD1-CE2 3.93Å; Y326-F331 HydrophobicContact CD1-CE2 3.93Å; Y326-F331 AromaticContact CE1-CE2 3.72Å; Y326-F331 HydrophobicContact CE1-CE2 3.72Å; Y326-F331 AromaticContact CE1-CZ 3.98Å; Y326-F331 HydrophobicContact CE1-CZ 3.98Å; T328-F331 HydrophobicContact CG2-CE1 3.93Å; T328-F331 HydrophobicContact CG2-CE2 4.06Å; T328-F331 HydrophobicContact CG2-CZ 3.65Å; T328-F331 PolarHBondContact N-O 3.49Å; T328-F331 WeakPolarHBondContact OG1-CD1 3.38Å; T328-F331 VanDerWaalsContact OG1-CE1 3.31Å; T328-F331 WeakPolarHBondContact OG1-CE1 3.4Å; T328-F331 WeakPolarHBondContact OG1-CG 3.49Å; T328-F331 PolarHBondContact OG1-N 3.19Å; T328-F331 PolarHBondContact OG1-O 3.03Å; F331-L333 HydrophobicContact CD2-CD2 4.04Å; F331-L333 HydrophobicContact CD2-CG 3.94Å; F331-L333 HydrophobicContact CE2-CD1 4.01Å; F331-L333 HydrophobicContact CE2-CD2 4.28Å; F331-L333 HydrophobicContact CE2-CG 3.93Å; F331-L348 CarbonylContact C-O 3.51Å; F331-L348 VanDerWaalsContact CA-O 3.27Å; F331-L348 WeakPolarHBondContact CA-O 3.28Å; F331-L348 WeakPolarHBondContact CB-O 3.48Å; F331-L349 HydrophobicContact CB-CD2 4.05Å; F331-D357 HydrophobicContact CD1-CB 4.38Å; F331-E360 HydrophobicContact CE1-CB 4.09Å; F331-E360 HydrophobicContact CE1-CG 3.89Å; F331-E360 HydrophobicContact CZ-CB 4.38Å; F331-E360 HydrophobicContact CZ-CG 3.86Å; F331-A361 HydrophobicContact CB-CB 4.11Å; F331-A361 HydrophobicContact CD1-CB 3.97Å; F331-A361 HydrophobicContact CD2-CB 3.55Å; F331-A361 HydrophobicContact CE1-CB 4.29Å; F331-A361 HydrophobicContact CE2-CB 3.89Å; F331-A361 HydrophobicContact CG-CB 3.6Å; F331-A361 HydrophobicContact CZ-CB 4.25Å; F331-Y422 WeakPolarHBondContact CA-OH 3.22Å; F331-Y422 PolarHBondContact N-OH 2.93Å
332I88.3Confident76.3Confident24 Ų2464.8 Ų64.812%0.12335%0.352CS..EExtended strand (participates in β ladder)trans-127.9128.3176.6-61.8167.3000108.7F325 Y326 V347 L348 Y422F325-I332 HydrophobicContact CD2-CG2 3.85Å; F325-I332 HydrophobicContact CE2-CG2 3.17Å; F325-I332 HydrophobicContact CZ-CD1 4.43Å; F325-I332 HydrophobicContact CZ-CG1 4.42Å; F325-I332 HydrophobicContact CZ-CG2 3.58Å; Y326-I332 CarbonylContact O-C 3.56Å; Y326-I332 WeakPolarHBondContact O-CA 3.26Å; I332-V347 CarbonylContact O-C 3.6Å; I332-V347 WeakPolarHBondContact O-CA 3.31Å; I332-L348 HydrophobicContact CB-CB 4.22Å; I332-L348 HydrophobicContact CB-CD1 4.14Å; I332-L348 HydrophobicContact CG2-CD1 4.04Å; I332-L348 PolarHBondContact N-O 3.02Å; I332-L348 PolarHBondContact O-N 3.42Å; I332-Y422 HydrophobicContact CD1-CE1 4.07Å; I332-Y422 HydrophobicContact CD1-CE2 4.19Å; I332-Y422 HydrophobicContact CG1-CE1 4.2Å
333L87.3Confident77.1Confident0 Ų064.6 Ų64.60%035%0.347CS..EExtended strand (participates in β ladder)trans-103.5130.7173.3-51.9175000109.5W324 F325 Y326 F331 V345 V347 A361 H364 A365W324-L333 HydrophobicContact CE3-CB 4.42Å; W324-L333 HydrophobicContact CH2-CB 3.68Å; W324-L333 HydrophobicContact CH2-CD1 3.67Å; W324-L333 HydrophobicContact CH2-CG 4.32Å; W324-L333 HydrophobicContact CZ3-CB 3.49Å; W324-L333 VanDerWaalsContact CZ3-CB 3.49Å; W324-L333 HydrophobicContact CZ3-CD1 4.2Å; W324-L333 HydrophobicContact CZ3-CG 4.47Å; F325-L333 WeakPolarHBondContact CA-O 3.14Å; Y326-L333 HydrophobicContact CD1-CD1 3.7Å; Y326-L333 HydrophobicContact CD1-CG 4.12Å; Y326-L333 HydrophobicContact CE1-CD1 4.45Å; Y326-L333 HydrophobicContact CG-CD1 4.41Å; Y326-L333 PolarHBondContact N-O 3.24Å; Y326-L333 PolarHBondContact O-N 3.15Å; F331-L333 HydrophobicContact CD2-CD2 4.04Å; F331-L333 HydrophobicContact CD2-CG 3.94Å; F331-L333 HydrophobicContact CE2-CD1 4.01Å; F331-L333 HydrophobicContact CE2-CD2 4.28Å; F331-L333 HydrophobicContact CE2-CG 3.93Å; L333-V345 HydrophobicContact CB-CG1 4.42Å; L333-V347 HydrophobicContact CD2-CB 4Å; L333-V347 HydrophobicContact CD2-CG1 3.76Å; L333-V347 HydrophobicContact CD2-CG2 3.39Å; L333-A361 HydrophobicContact CD2-CB 4.2Å; L333-H364 HydrophobicContact CD1-CB 3.51Å; L333-A365 HydrophobicContact CD2-CB 4.32Å
334R85.4Confident78Confident31 Ų3164.9 Ų64.912%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-130.2127174.8175.4146.6159.5178.611.9110.2V317 L318 R320 A322 W324 V345 D346V317-R334 HydrophobicContact CG1-CB 4.03Å; V317-R334 HydrophobicContact CG1-CG 3.76Å; V317-R334 VanDerWaalsContact CG1-NE 3.31Å; V317-R334 PolarHBondContact O-NE 2.97Å; V317-R334 PolarHBondContact O-NH2 3.33Å; L318-R334 PolarHBondContact O-NH2 3.26Å; R320-R334 PolarHBondContact O-NH2 3.43Å; A322-R334 HydrophobicContact CB-CG 4.19Å; W324-R334 WeakPolarHBondContact O-CA 3.39Å; R334-V345 CarbonylContact O-C 3.5Å; R334-V345 WeakPolarHBondContact O-CA 3.23Å; R334-D346 PolarHBondContact N-O 3.37Å; R334-D346 PolarHBondContact O-N 3.1Å
335C81.7Confident78.9Confident5 Ų564.6 Ų64.63%0.03435%0.346CS..EExtended strand (participates in β ladder)trans-100.3126.1171.6-174.10000110.3N323 W324 H344 V345 F368N323-C335 PolarHBondContact N-O 3.31Å; N323-C335 VanDerWaalsContact N-O 3.1Å; W324-C335 HydrophobicContact CB-CB 3.77Å; W324-C335 HydrophobicContact CD2-CB 4.46Å; W324-C335 HydrophobicContact CE3-CB 3.8Å; W324-C335 HydrophobicContact CG-CB 4.5Å; W324-C335 PolarHBondContact O-N 3.37Å; C335-H344 WeakPolarHBondContact CA-O 3.4Å; C335-V345 HydrophobicContact CB-CG2 4.34Å; C335-F368 HydrophobicContact CB-CD1 4.49Å; C335-F368 HydrophobicContact CB-CE1 3.67Å; C335-F368 HydrophobicContact CB-CZ 4.12Å
336S78.1Confident79.7Confident8 Ų860 Ų606%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-104.7133.4164.459.80000109.3H344S336-H344 PolarHBondContact N-O 3.5Å; S336-H344 PolarHBondContact O-N 2.83Å
337S72.7Confident80.4Confident49 Ų4958 Ų5834%0.34332%0.318SS..  trans-138.3112.5172.5-1780000109.5N323N323-S337 PolarHBondContact ND2-O 3.41Å; N323-S337 VanDerWaalsContact ND2-O 3.16Å
338H68.5Low81Confident107 Ų10755 Ų5550%0.49530%0.297SS..  trans-92.5149.4173.9-70.7-73000110.8G340 C341H338-G340 PolarHBondContact O-N 3.01Å; H338-C341 HydrophobicContact CB-CB 4.28Å; H338-C341 PolarHBondContact O-N 3.09Å
339R64.7Low81.5Confident256 Ų25653.3 Ų53.397%0.96629%0.286SS*.THydrogen-bonded Turntrans-53.7123.3174.5-75.2-175.2-179.41761.3110.1C341R339-C341 VanDerWaalsContact C-N 3.33Å
340G65.6Low82Confident93 Ų9346 Ų4696%0.95925%0.248SC*.THydrogen-bonded Turntrans87-11.5179.900000115.5H338H338-G340 PolarHBondContact O-N 3.01Å
341C69.1Low82.1Confident84 Ų8450.9 Ų50.957%0.56827%0.27SS*.SBendtrans-102.2146.5176.8-71.70000111.5H338 R339H338-C341 HydrophobicContact CB-CB 4.28Å; H338-C341 PolarHBondContact O-N 3.09Å; R339-C341 VanDerWaalsContact C-N 3.33Å
342K73.2Confident82.1Confident177 Ų17756.5 Ų56.577%0.7730%0.3SS*.PPolyproline II helixtrans-62.6145.3170.1-67.5-179.3-178.3175.30109.3
343P78.2Confident82.2Confident40 Ų4056.4 Ų56.426%0.2630%0.302SS..PPolyproline II helixtrans-58.9144.1174.923.2-31000110.6M369P343-M369 HydrophobicContact CB-CE 4.3Å; P343-M369 HydrophobicContact CB-SD 3.99Å; P343-M369 HydrophobicContact CG-CE 3.75Å; P343-M369 HydrophobicContact CG-SD 3.96Å; P343-M369 WeakPolarHBondContact O-CE 3.29Å
344H84.3Confident82.4Confident44 Ų4458.9 Ų58.920%0.20432%0.319CS..EExtended strand (participates in β ladder)trans-128.5132.7176-172.984.8000109.2G306 R307 C335 S336 D346G306-H344 PolarHBondContact O-ND1 2.81Å; R307-H344 VanDerWaalsContact C-ND1 3.32Å; R307-H344 WeakPolarHBondContact O-CA 3.4Å; R307-H344 PolarHBondContact O-ND1 3.22Å; C335-H344 WeakPolarHBondContact CA-O 3.4Å; S336-H344 PolarHBondContact N-O 3.5Å; S336-H344 PolarHBondContact O-N 2.83Å; H344-D346 IonicContact CD2-OD1 3.43Å; H344-D346 PolarHBondContact CD2-OD1 2.8Å; H344-D346 IonicContact CD2-OD2 3.37Å; H344-D346 IonicContact NE2-OD1 2.99Å; H344-D346 PolarHBondContact NE2-OD1 3.16Å
345V87.2Confident82.7Confident0 Ų060.2 Ų60.20%033%0.328CS..EExtended strand (participates in β ladder)trans-104.6115.3178.4-177.10000109R307 M308 S309 W324 L333 R334 C335 V347 A365 F368 M369R307-V345 PolarHBondContact O-N 2.95Å; M308-V345 VanDerWaalsContact CA-O 3.23Å; M308-V345 WeakPolarHBondContact CA-O 3.36Å; S309-V345 PolarHBondContact N-O 2.95Å; W324-V345 HydrophobicContact CZ3-CG1 4.36Å; L333-V345 HydrophobicContact CB-CG1 4.42Å; R334-V345 CarbonylContact O-C 3.5Å; R334-V345 WeakPolarHBondContact O-CA 3.23Å; C335-V345 HydrophobicContact CB-CG2 4.34Å; V345-V347 HydrophobicContact CG1-CG2 4.22Å; V345-A365 HydrophobicContact CB-CB 4.28Å; V345-A365 HydrophobicContact CG1-CB 3.75Å; V345-F368 HydrophobicContact CG2-CD1 4.08Å; V345-M369 HydrophobicContact CG2-CG 3.77Å; V345-M369 HydrophobicContact CG2-SD 3.72Å
346D89.6Confident83.3Confident9 Ų963.2 Ų63.25%0.04834%0.339CS..EExtended strand (participates in β ladder)trans-92.3124171.1-63.7-62.3000108.6S309 A312 V317 R320 R334 H344S309-D346 WeakPolarHBondContact OG-CA 3.45Å; S309-D346 PolarHBondContact OG-OD1 3.16Å; A312-D346 HydrophobicContact CB-CB 3.98Å; V317-D346 HydrophobicContact CG2-CB 3.65Å; R320-D346 IonicContact NH1-OD2 3.21Å; R320-D346 PolarHBondContact NH1-OD2 3.05Å; R334-D346 PolarHBondContact N-O 3.37Å; R334-D346 PolarHBondContact O-N 3.1Å; H344-D346 IonicContact CD2-OD1 3.43Å; H344-D346 PolarHBondContact CD2-OD1 2.8Å; H344-D346 IonicContact CD2-OD2 3.37Å; H344-D346 IonicContact NE2-OD1 2.99Å; H344-D346 PolarHBondContact NE2-OD1 3.16Å
347V91.2Very high84Confident0 Ų064 Ų640%034%0.343CS..EExtended strand (participates in β ladder)trans-107.2118178.8-179.20000109.2M308 S309 L310 G311 A312 I332 L333 V345 L349 A361 A365M308-V347 HydrophobicContact CG-CG2 4.09Å; M308-V347 HydrophobicContact SD-CG2 3.96Å; S309-V347 WeakPolarHBondContact O-CB 3.4Å; S309-V347 WeakPolarHBondContact O-CG2 3.18Å; S309-V347 PolarHBondContact O-N 3.3Å; L310-V347 HydrophobicContact CD2-CB 3.81Å; L310-V347 HydrophobicContact CD2-CG1 3.96Å; L310-V347 HydrophobicContact CD2-CG2 3.78Å; G311-V347 WeakPolarHBondContact CA-O 3.34Å; G311-V347 PolarHBondContact N-O 3.21Å; A312-V347 PolarHBondContact N-O 2.98Å; I332-V347 CarbonylContact O-C 3.6Å; I332-V347 WeakPolarHBondContact O-CA 3.31Å; L333-V347 HydrophobicContact CD2-CB 4Å; L333-V347 HydrophobicContact CD2-CG1 3.76Å; L333-V347 HydrophobicContact CD2-CG2 3.39Å; V345-V347 HydrophobicContact CG1-CG2 4.22Å; V347-L349 HydrophobicContact CG1-CD2 3.67Å; V347-L349 HydrophobicContact CG1-CG 4.36Å; V347-A361 HydrophobicContact CG1-CB 3.67Å; V347-A365 HydrophobicContact CG2-CB 4.34Å
348L91.6Very high85Confident6 Ų662.3 Ų62.33%0.03133%0.33CS..EExtended strand (participates in β ladder)trans-94.9137.2171.5-53.387.9000108.5M314 V317 F331 I332 Y422M314-L348 HydrophobicContact CB-CD2 3.87Å; M314-L348 HydrophobicContact CG-CD2 4.25Å; M314-L348 HydrophobicContact SD-CD2 3.42Å; M314-L348 WeakPolarHBondContact SD-CD2 3.32Å; V317-L348 HydrophobicContact CG1-CD1 4.4Å; F331-L348 CarbonylContact C-O 3.51Å; F331-L348 VanDerWaalsContact CA-O 3.27Å; F331-L348 WeakPolarHBondContact CA-O 3.28Å; F331-L348 WeakPolarHBondContact CB-O 3.48Å; I332-L348 HydrophobicContact CB-CB 4.22Å; I332-L348 HydrophobicContact CB-CD1 4.14Å; I332-L348 HydrophobicContact CG2-CD1 4.04Å; I332-L348 PolarHBondContact N-O 3.02Å; I332-L348 PolarHBondContact O-N 3.42Å; L348-Y422 HydrophobicContact CB-CD1 3.88Å; L348-Y422 HydrophobicContact CB-CE1 3.96Å
349L93.6Very high86.2Confident1 Ų157.3 Ų57.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-116.3135.5-175.9-58.1174.5000109.7F331 V347 C353 I358 A361 V417 R421 Y422F331-L349 HydrophobicContact CB-CD2 4.05Å; V347-L349 HydrophobicContact CG1-CD2 3.67Å; V347-L349 HydrophobicContact CG1-CG 4.36Å; L349-C353 HydrophobicContact CB-CB 4.27Å; L349-I358 HydrophobicContact CD1-CG1 4.15Å; L349-I358 HydrophobicContact CD2-CG1 4.42Å; L349-A361 HydrophobicContact CD2-CB 4.44Å; L349-V417 HydrophobicContact CD1-CG1 3.54Å; L349-R421 VanDerWaalsContact O-CA 3.29Å; L349-R421 WeakPolarHBondContact O-CA 3.45Å; L349-Y422 VanDerWaalsContact C-CD1 3.42Å; L349-Y422 WeakPolarHBondContact O-CD1 3.31Å; L349-Y422 PolarHBondContact O-N 2.76Å
350A92.3Very high87.6Confident4 Ų447 Ų473%0.03327%0.269CS..BIsolated β-bridgetrans-68.6159.6173.100000111S330 D352 C353 R421 Y422S330-A350 WeakPolarHBondContact O-CB 3.31Å; S330-A350 PolarHBondContact O-N 2.73Å; A350-D352 WeakPolarHBondContact CB-OD1 3.24Å; A350-D352 PolarHBondContact O-N 3.43Å; A350-C353 WeakPolarHBondContact O-CB 3.1Å; A350-C353 PolarHBondContact O-N 3.28Å; A350-R421 WeakPolarHBondContact O-CD 3.27Å; A350-Y422 CarbonylContact C-O 3.51Å; A350-Y422 VanDerWaalsContact CA-O 3.31Å; A350-Y422 WeakPolarHBondContact CA-O 3.49Å; A350-Y422 HydrophobicContact CB-CE1 4.24Å; A350-Y422 HydrophobicContact CB-CE2 4.05Å; A350-Y422 VanDerWaalsContact N-CE1 3.32Å
351I91.7Very high88.8Confident129 Ų12942.5 Ų42.566%0.66222%0.223SC*.THydrogen-bonded Turntrans-64-29.3-178.9-162.6166000113.4R421 Y422I351-R421 HydrophobicContact CB-CB 4.39Å; I351-Y422 PolarHBondContact N-O 3.32Å
352D89.4Confident89.9Confident119 Ų11938.5 Ų38.564%0.63620%0.196SC*.THydrogen-bonded Turntrans-95.17.9179.961.5-27.7000113.3A350 S354A350-D352 WeakPolarHBondContact CB-OD1 3.24Å; A350-D352 PolarHBondContact O-N 3.43Å; D352-S354 PolarHBondContact O-N 2.91Å
353C90.1Very high90.9Very high23 Ų2330.1 Ų30.116%0.15516%0.16CC..  trans-58.8123.1-179.3-1700000111.5L349 A350 D357L349-C353 HydrophobicContact CB-CB 4.27Å; A350-C353 WeakPolarHBondContact O-CB 3.1Å; A350-C353 PolarHBondContact O-N 3.28Å; C353-D357 VanDerWaalsContact SG-CB 3.52Å
354S92.6Very high91.3Very high51 Ų5128.4 Ų28.436%0.35715%0.148SC..  trans-87.1169.4177.176.40000111.9D352 Y356 D357 I358D352-S354 PolarHBondContact O-N 2.91Å; S354-Y356 PolarHBondContact O-N 2.89Å; S354-Y356 PolarHBondContact OG-N 2.78Å; S354-D357 WeakPolarHBondContact CA-OD2 3.33Å; S354-D357 VanDerWaalsContact CB-OD2 3.27Å; S354-D357 WeakPolarHBondContact CB-OD2 3.31Å; S354-D357 PolarHBondContact N-OD2 3.49Å; S354-D357 PolarHBondContact O-N 3.39Å; S354-D357 VanDerWaalsContact O-N 3.11Å; S354-D357 PolarHBondContact OG-N 3.01Å; S354-D357 PolarHBondContact OG-OD2 2.92Å; S354-I358 WeakPolarHBondContact O-CG1 3.35Å; S354-I358 PolarHBondContact O-N 3.43Å
355I92.3Very high91.5Very high60 Ų6026.4 Ų26.431%0.30814%0.139SC..Hα-helixtrans-60.6-33.3174.3-67173.9000111.4D357 I358 L359 L410 R411I355-D357 VanDerWaalsContact C-N 3.35Å; I355-I358 PolarHBondContact O-N 3.06Å; I355-L359 HydrophobicContact CG2-CD1 4.24Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.5Å; I355-L359 PolarHBondContact O-N 2.93Å; I355-L410 WeakPolarHBondContact CG2-O 3.33Å; I355-R411 WeakPolarHBondContact CD1-O 3.19Å
356Y93.5Very high91.6Very high68 Ų6826.6 Ų26.627%0.26714%0.14SC..Hα-helixtrans-60.8-46.7174.6179.3-88.1000110.7S354 I358 L359 E360 F396 Y400S354-Y356 PolarHBondContact O-N 2.89Å; S354-Y356 PolarHBondContact OG-N 2.78Å; Y356-I358 PolarHBondContact O-N 3.11Å; Y356-L359 WeakPolarHBondContact O-CB 3.29Å; Y356-L359 PolarHBondContact O-N 3.36Å; Y356-E360 WeakPolarHBondContact CE1-OE2 3.38Å; Y356-E360 WeakPolarHBondContact O-CB 3.29Å; Y356-E360 PolarHBondContact O-N 2.98Å; Y356-F396 HydrophobicContact CD1-CE1 4.25Å; Y356-F396 HydrophobicContact CD2-CE1 4.19Å; Y356-F396 HydrophobicContact CE1-CD1 4.18Å; Y356-F396 AromaticContact CE1-CE1 3.75Å; Y356-F396 HydrophobicContact CE1-CE1 3.75Å; Y356-F396 HydrophobicContact CE2-CD1 4.42Å; Y356-F396 AromaticContact CE2-CE1 3.7Å; Y356-F396 HydrophobicContact CE2-CE1 3.7Å; Y356-F396 HydrophobicContact CG-CE1 4.44Å; Y356-F396 AromaticContact CZ-CD1 3.84Å; Y356-F396 AromaticContact CZ-CE1 3.46Å; Y356-F396 VanDerWaalsContact CZ-CE1 3.46Å; Y356-Y400 HydrophobicContact CD2-CD1 4.28Å; Y356-Y400 AromaticContact CD2-CD2 3.87Å; Y356-Y400 HydrophobicContact CD2-CD2 3.87Å; Y356-Y400 AromaticContact CD2-CE1 3.98Å; Y356-Y400 HydrophobicContact CD2-CE1 3.98Å; Y356-Y400 AromaticContact CD2-CE2 3.59Å; Y356-Y400 HydrophobicContact CD2-CE2 3.59Å; Y356-Y400 HydrophobicContact CD2-CG 4.22Å; Y356-Y400 AromaticContact CD2-CZ 3.65Å; Y356-Y400 AromaticContact CE2-CD1 3.85Å; Y356-Y400 HydrophobicContact CE2-CD1 3.85Å; Y356-Y400 AromaticContact CE2-CD2 3.85Å; Y356-Y400 HydrophobicContact CE2-CD2 3.85Å; Y356-Y400 AromaticContact CE2-CE1 3.98Å; Y356-Y400 HydrophobicContact CE2-CE1 3.98Å; Y356-Y400 HydrophobicContact CE2-CE2 4.02Å; Y356-Y400 AromaticContact CE2-CG 3.77Å; Y356-Y400 HydrophobicContact CE2-CG 3.77Å
357D92.8Very high91.4Very high24 Ų2426.1 Ų26.113%0.12814%0.138CC..Hα-helixtrans-67.9-35.8-178.8-50.8-43000111.8F331 C353 S354 I355 E360 A361F331-D357 HydrophobicContact CD1-CB 4.38Å; C353-D357 VanDerWaalsContact SG-CB 3.52Å; S354-D357 WeakPolarHBondContact CA-OD2 3.33Å; S354-D357 VanDerWaalsContact CB-OD2 3.27Å; S354-D357 WeakPolarHBondContact CB-OD2 3.31Å; S354-D357 PolarHBondContact N-OD2 3.49Å; S354-D357 PolarHBondContact O-N 3.39Å; S354-D357 VanDerWaalsContact O-N 3.11Å; S354-D357 PolarHBondContact OG-N 3.01Å; S354-D357 PolarHBondContact OG-OD2 2.92Å; I355-D357 VanDerWaalsContact C-N 3.35Å; D357-E360 PolarHBondContact O-N 3.19Å; D357-A361 VanDerWaalsContact O-CB 3.3Å; D357-A361 WeakPolarHBondContact O-CB 3.46Å; D357-A361 PolarHBondContact O-N 3.13Å
358I93.7Very high90.9Very high14 Ų1426.4 Ų26.47%0.07214%0.139CC..Hα-helixtrans-63.8-43.7173.8-64.2171.2000110.7L310 L349 S354 I355 Y356 E360 A362 F415 V417L310-I358 HydrophobicContact CD1-CG2 4.39Å; L349-I358 HydrophobicContact CD1-CG1 4.15Å; L349-I358 HydrophobicContact CD2-CG1 4.42Å; S354-I358 WeakPolarHBondContact O-CG1 3.35Å; S354-I358 PolarHBondContact O-N 3.43Å; I355-I358 PolarHBondContact O-N 3.06Å; Y356-I358 PolarHBondContact O-N 3.11Å; I358-E360 VanDerWaalsContact C-N 3.33Å; I358-A362 VanDerWaalsContact O-CB 3.31Å; I358-A362 WeakPolarHBondContact O-CB 3.32Å; I358-A362 PolarHBondContact O-N 3.34Å; I358-F415 HydrophobicContact CG2-CD2 4.21Å; I358-V417 HydrophobicContact CG2-CG2 4.39Å
359L94.1Very high90.4Very high2 Ų227.1 Ų27.11%0.0114%0.142CC..Hα-helixtrans-65.2-38.7176.5-69.8172.8000111.3L265 F270 I355 Y356 F363 F396 Y400 L410 F415L265-L359 HydrophobicContact CD1-CD2 4.1Å; F270-L359 HydrophobicContact CD2-CD2 4.45Å; F270-L359 HydrophobicContact CE2-CD2 4.12Å; I355-L359 HydrophobicContact CG2-CD1 4.24Å; I355-L359 VanDerWaalsContact O-CG 3.29Å; I355-L359 WeakPolarHBondContact O-CG 3.5Å; I355-L359 PolarHBondContact O-N 2.93Å; Y356-L359 WeakPolarHBondContact O-CB 3.29Å; Y356-L359 PolarHBondContact O-N 3.36Å; L359-F363 VanDerWaalsContact O-CB 3.29Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.06Å; L359-F396 HydrophobicContact CB-CE2 4.36Å; L359-F396 HydrophobicContact CB-CZ 3.9Å; L359-Y400 HydrophobicContact CD1-CE2 4.12Å; L359-L410 HydrophobicContact CD1-CD2 4.46Å; L359-F415 HydrophobicContact CD2-CE2 3.64Å; L359-F415 HydrophobicContact CD2-CZ 3.71Å
360E92.9Very high89.7Confident38 Ų3830.1 Ų30.118%0.17816%0.158CC..Hα-helixtrans-62.9-51.6175.6-172.3165.3-171.800111.1F331 Y356 D357 I358 A362 F363 H364 F396F331-E360 HydrophobicContact CE1-CB 4.09Å; F331-E360 HydrophobicContact CE1-CG 3.89Å; F331-E360 HydrophobicContact CZ-CB 4.38Å; F331-E360 HydrophobicContact CZ-CG 3.86Å; Y356-E360 WeakPolarHBondContact CE1-OE2 3.38Å; Y356-E360 WeakPolarHBondContact O-CB 3.29Å; Y356-E360 PolarHBondContact O-N 2.98Å; D357-E360 PolarHBondContact O-N 3.19Å; I358-E360 VanDerWaalsContact C-N 3.33Å; E360-A362 VanDerWaalsContact C-N 3.33Å; E360-A362 PolarHBondContact O-N 2.88Å; E360-F363 WeakPolarHBondContact O-CB 3.27Å; E360-F363 PolarHBondContact O-N 3.23Å; E360-H364 PolarHBondContact O-CD2 3.47Å; E360-H364 PolarHBondContact O-N 3.45Å; E360-H364 IonicContact OE1-NE2 2.89Å; E360-F396 VanDerWaalsContact CA-CZ 3.44Å; E360-F396 HydrophobicContact CB-CD1 3.6Å; E360-F396 HydrophobicContact CB-CD2 4.42Å; E360-F396 HydrophobicContact CB-CE1 3.41Å; E360-F396 VanDerWaalsContact CB-CE1 3.41Å; E360-F396 HydrophobicContact CB-CE2 4.26Å; E360-F396 HydrophobicContact CB-CG 4.12Å; E360-F396 HydrophobicContact CB-CZ 3.76Å; E360-F396 HydrophobicContact CG-CB 4.27Å; E360-F396 HydrophobicContact CG-CD1 3.46Å; E360-F396 VanDerWaalsContact CG-CD1 3.46Å; E360-F396 HydrophobicContact CG-CD2 4.45Å; E360-F396 HydrophobicContact CG-CE1 3.86Å; E360-F396 HydrophobicContact CG-CG 3.8Å; E360-F396 HydrophobicContact CG-CZ 4.49Å; E360-F396 VanDerWaalsContact N-CZ 3.3Å
361A91.9Very high88.8Confident0 Ų031.5 Ų31.50%017%0.173CC..Hα-helixtrans-58-45.7178.200000111.7F331 L333 V347 L349 D357 F363 H364 A365F331-A361 HydrophobicContact CB-CB 4.11Å; F331-A361 HydrophobicContact CD1-CB 3.97Å; F331-A361 HydrophobicContact CD2-CB 3.55Å; F331-A361 HydrophobicContact CE1-CB 4.29Å; F331-A361 HydrophobicContact CE2-CB 3.89Å; F331-A361 HydrophobicContact CG-CB 3.6Å; F331-A361 HydrophobicContact CZ-CB 4.25Å; L333-A361 HydrophobicContact CD2-CB 4.2Å; V347-A361 HydrophobicContact CG1-CB 3.67Å; L349-A361 HydrophobicContact CD2-CB 4.44Å; D357-A361 VanDerWaalsContact O-CB 3.3Å; D357-A361 WeakPolarHBondContact O-CB 3.46Å; D357-A361 PolarHBondContact O-N 3.13Å; A361-F363 VanDerWaalsContact C-N 3.31Å; A361-F363 PolarHBondContact O-N 2.91Å; A361-H364 PolarHBondContact O-N 3.2Å; A361-A365 VanDerWaalsContact O-CB 3.28Å; A361-A365 WeakPolarHBondContact O-CB 3.44Å; A361-A365 PolarHBondContact O-N 3.43Å
362A92.7Very high87.7Confident0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-62.6-37.8176.100000112.3F270 M308 L310 I358 E360 E366 F415F270-A362 HydrophobicContact CD1-CB 4.43Å; F270-A362 HydrophobicContact CE1-CB 3.65Å; F270-A362 HydrophobicContact CZ-CB 3.91Å; M308-A362 HydrophobicContact CE-CB 3.9Å; L310-A362 HydrophobicContact CD2-CB 4.38Å; I358-A362 VanDerWaalsContact O-CB 3.31Å; I358-A362 WeakPolarHBondContact O-CB 3.32Å; I358-A362 PolarHBondContact O-N 3.34Å; E360-A362 VanDerWaalsContact C-N 3.33Å; E360-A362 PolarHBondContact O-N 2.88Å; A362-E366 PolarHBondContact O-N 2.91Å; A362-F415 HydrophobicContact CB-CE2 4.04Å
363F92.4Very high86.2Confident0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-65.2-52177.6173.9-101.6000111.9F270 V274 Y277 L359 E360 A361 A365 E366 A367 V394 F396 F399F270-F363 HydrophobicContact CZ-CB 3.97Å; V274-F363 HydrophobicContact CG1-CD2 4Å; V274-F363 HydrophobicContact CG1-CE2 4.19Å; V274-F363 HydrophobicContact CG2-CD2 3.87Å; Y277-F363 AromaticContact CD1-CE2 3.94Å; Y277-F363 HydrophobicContact CD1-CE2 3.94Å; Y277-F363 HydrophobicContact CD1-CZ 4.18Å; Y277-F363 HydrophobicContact CE1-CE2 4.07Å; Y277-F363 AromaticContact CE1-CZ 3.87Å; Y277-F363 HydrophobicContact CE1-CZ 3.87Å; L359-F363 VanDerWaalsContact O-CB 3.29Å; L359-F363 WeakPolarHBondContact O-CB 3.4Å; L359-F363 PolarHBondContact O-N 3.06Å; E360-F363 WeakPolarHBondContact O-CB 3.27Å; E360-F363 PolarHBondContact O-N 3.23Å; A361-F363 VanDerWaalsContact C-N 3.31Å; A361-F363 PolarHBondContact O-N 2.91Å; F363-A365 VanDerWaalsContact C-N 3.28Å; F363-A365 PolarHBondContact O-N 2.77Å; F363-E366 PolarHBondContact O-N 2.95Å; F363-A367 WeakPolarHBondContact O-CB 3.29Å; F363-A367 PolarHBondContact O-N 3.31Å; F363-V394 HydrophobicContact CE1-CB 4.16Å; F363-V394 HydrophobicContact CE1-CG1 3.35Å; F363-V394 HydrophobicContact CE2-CG1 4.39Å; F363-V394 HydrophobicContact CZ-CB 4.45Å; F363-V394 HydrophobicContact CZ-CG1 3.22Å; F363-F396 HydrophobicContact CB-CD2 3.61Å; F363-F396 HydrophobicContact CB-CE2 3.84Å; F363-F396 HydrophobicContact CD1-CB 3.83Å; F363-F396 AromaticContact CD1-CD2 3.58Å; F363-F396 HydrophobicContact CD1-CD2 3.58Å; F363-F396 HydrophobicContact CD1-CG 4.14Å; F363-F396 HydrophobicContact CD2-CD2 4.25Å; F363-F396 HydrophobicContact CE1-CB 3.94Å; F363-F396 HydrophobicContact CE1-CD2 4.23Å; F363-F396 AromaticContact CG-CD2 3.57Å; F363-F396 HydrophobicContact CG-CD2 3.57Å; F363-F396 HydrophobicContact CG-CE2 4.22Å; F363-F399 AromaticContact CD2-CD1 3.53Å; F363-F399 HydrophobicContact CD2-CD1 3.53Å; F363-F399 HydrophobicContact CD2-CD2 4.44Å; F363-F399 AromaticContact CD2-CE1 3.62Å; F363-F399 HydrophobicContact CD2-CE1 3.62Å; F363-F399 AromaticContact CD2-CG 3.95Å; F363-F399 HydrophobicContact CD2-CG 3.95Å; F363-F399 HydrophobicContact CD2-CZ 4.14Å; F363-F399 HydrophobicContact CE2-CB 3.94Å; F363-F399 AromaticContact CE2-CD1 3.65Å; F363-F399 HydrophobicContact CE2-CD1 3.65Å; F363-F399 AromaticContact CE2-CD2 3.91Å; F363-F399 HydrophobicContact CE2-CD2 3.91Å; F363-F399 HydrophobicContact CE2-CE1 4.06Å; F363-F399 HydrophobicContact CE2-CE2 4.29Å; F363-F399 AromaticContact CE2-CG 3.55Å; F363-F399 HydrophobicContact CE2-CG 3.55Å; F363-F399 HydrophobicContact CE2-CZ 4.36Å; F363-F399 HydrophobicContact CG-CD1 4.2Å; F363-F399 HydrophobicContact CG-CE1 4.42Å; F363-F399 HydrophobicContact CZ-CB 4.01Å; F363-F399 HydrophobicContact CZ-CD1 4.4Å; F363-F399 HydrophobicContact CZ-CG 4.14Å
364H88.7Confident84.5Confident5 Ų526.7 Ų26.72%0.02314%0.142CC..Hα-helixtrans-61.8-38.5179.4-77.7-75.5000111.7L333 E360 A361 A367 F368 F390L333-H364 HydrophobicContact CD1-CB 3.51Å; E360-H364 PolarHBondContact O-CD2 3.47Å; E360-H364 PolarHBondContact O-N 3.45Å; E360-H364 IonicContact OE1-NE2 2.89Å; A361-H364 PolarHBondContact O-N 3.2Å; H364-A367 PolarHBondContact O-N 3.27Å; H364-F368 WeakPolarHBondContact O-CB 3.43Å; H364-F368 PolarHBondContact O-N 2.95Å; H364-F390 AromaticContact CE1-CE1 3.62Å; H364-F390 AromaticContact CE1-CZ 3.87Å; H364-F390 AromaticContact ND1-CE1 3.23Å; H364-F390 WeakPolarHBondContact ND1-CE1 3.3Å; H364-F390 AromaticContact ND1-CE2 3.92Å; H364-F390 AromaticContact ND1-CZ 3.1Å; H364-F390 WeakPolarHBondContact ND1-CZ 3.31Å
365A88.4Confident82.5Confident1 Ų129 Ų291%0.00815%0.151CC..Hα-helixtrans-63.5-47.7174.800000112.8M308 L333 V345 V347 A361 F363 F368 M369M308-A365 HydrophobicContact CG-CB 4.42Å; M308-A365 HydrophobicContact SD-CB 3.18Å; M308-A365 WeakPolarHBondContact SD-CB 2.99Å; L333-A365 HydrophobicContact CD2-CB 4.32Å; V345-A365 HydrophobicContact CB-CB 4.28Å; V345-A365 HydrophobicContact CG1-CB 3.75Å; V347-A365 HydrophobicContact CG2-CB 4.34Å; A361-A365 VanDerWaalsContact O-CB 3.28Å; A361-A365 WeakPolarHBondContact O-CB 3.44Å; A361-A365 PolarHBondContact O-N 3.43Å; F363-A365 VanDerWaalsContact C-N 3.28Å; F363-A365 PolarHBondContact O-N 2.77Å; A365-F368 PolarHBondContact O-N 3.17Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 WeakPolarHBondContact O-CG 3.28Å; A365-M369 PolarHBondContact O-N 2.98Å
366E87.8Confident80.4Confident4 Ų435.8 Ų35.82%0.01917%0.172CC..Hα-helixtrans-66.3-36.7175.7-88.3-69167.400112.2S271 V274 F304 R307 A362 F363 M369 N370S271-E366 PolarHBondContact OG-OE1 2.99Å; V274-E366 HydrophobicContact CB-CB 4.49Å; V274-E366 HydrophobicContact CG1-CB 3.89Å; F304-E366 HydrophobicContact CD1-CG 4.34Å; R307-E366 IonicContact CZ-OE2 2.94Å; R307-E366 VanDerWaalsContact NH2-CD 3.33Å; R307-E366 IonicContact NH2-OE1 3.74Å; R307-E366 PolarHBondContact NH2-OE1 3.46Å; R307-E366 IonicContact NH2-OE2 3.19Å; R307-E366 PolarHBondContact NH2-OE2 3.4Å; A362-E366 PolarHBondContact O-N 2.91Å; F363-E366 PolarHBondContact O-N 2.95Å; E366-M369 PolarHBondContact O-N 3.49Å; E366-N370 PolarHBondContact O-N 2.93Å; E366-N370 PolarHBondContact O-ND2 3.31Å
367A86.1Confident78.1Confident0 Ų036.6 Ų36.60%018%0.181CC..Hα-helixtrans-61.3-46.8174.800000111.8L278 F363 H364 M369 N370 G371 Q372 V394L278-A367 HydrophobicContact CD1-CB 4.04Å; L278-A367 HydrophobicContact CD2-CB 4.31Å; F363-A367 WeakPolarHBondContact O-CB 3.29Å; F363-A367 PolarHBondContact O-N 3.31Å; H364-A367 PolarHBondContact O-N 3.27Å; A367-M369 VanDerWaalsContact C-N 3.33Å; A367-M369 PolarHBondContact O-N 3.36Å; A367-N370 PolarHBondContact O-N 2.73Å; A367-G371 PolarHBondContact O-N 3.05Å; A367-Q372 HydrophobicContact CB-CB 4.38Å; A367-Q372 WeakPolarHBondContact O-CB 2.95Å; A367-Q372 PolarHBondContact O-N 3.05Å; A367-V394 HydrophobicContact CB-CG2 4.47Å
368F81.3Confident75.7Confident5 Ų542.2 Ų42.22%0.02221%0.209CC..Hα-helixtrans-59.9-43.7174.7178.6-94.2000112W324 C335 V345 H364 A365 N370 G371 Q372 K374 Y388W324-F368 HydrophobicContact CB-CE2 4.45Å; W324-F368 HydrophobicContact CB-CZ 4.1Å; W324-F368 AromaticContact CD2-CD2 3.97Å; W324-F368 HydrophobicContact CD2-CD2 3.97Å; W324-F368 HydrophobicContact CD2-CE1 4.41Å; W324-F368 AromaticContact CD2-CE2 3.68Å; W324-F368 HydrophobicContact CD2-CE2 3.68Å; W324-F368 HydrophobicContact CD2-CG 4.43Å; W324-F368 AromaticContact CD2-CZ 3.92Å; W324-F368 HydrophobicContact CD2-CZ 3.92Å; W324-F368 AromaticContact CE2-CD2 3.88Å; W324-F368 AromaticContact CE2-CE2 3.89Å; W324-F368 HydrophobicContact CE3-CD1 4.16Å; W324-F368 HydrophobicContact CE3-CD2 4.19Å; W324-F368 HydrophobicContact CE3-CE1 4.14Å; W324-F368 HydrophobicContact CE3-CE2 4.15Å; W324-F368 HydrophobicContact CE3-CG 4.19Å; W324-F368 HydrophobicContact CE3-CZ 4.12Å; W324-F368 AromaticContact CG-CE2 3.82Å; W324-F368 HydrophobicContact CG-CE2 3.82Å; W324-F368 AromaticContact CG-CZ 3.93Å; W324-F368 HydrophobicContact CG-CZ 3.93Å; W324-F368 HydrophobicContact CH2-CB 4.21Å; W324-F368 HydrophobicContact CH2-CD2 4.17Å; W324-F368 HydrophobicContact CH2-CG 4.12Å; W324-F368 AromaticContact CZ2-CD2 3.99Å; W324-F368 HydrophobicContact CZ2-CD2 3.99Å; W324-F368 HydrophobicContact CZ2-CE2 4.46Å; W324-F368 HydrophobicContact CZ2-CG 4.41Å; W324-F368 HydrophobicContact CZ3-CB 4.38Å; W324-F368 HydrophobicContact CZ3-CD1 4.2Å; W324-F368 HydrophobicContact CZ3-CD2 4.28Å; W324-F368 HydrophobicContact CZ3-CG 4.02Å; C335-F368 HydrophobicContact CB-CD1 4.49Å; C335-F368 HydrophobicContact CB-CE1 3.67Å; C335-F368 HydrophobicContact CB-CZ 4.12Å; V345-F368 HydrophobicContact CG2-CD1 4.08Å; H364-F368 WeakPolarHBondContact O-CB 3.43Å; H364-F368 PolarHBondContact O-N 2.95Å; A365-F368 PolarHBondContact O-N 3.17Å; F368-N370 VanDerWaalsContact C-N 3.28Å; F368-N370 PolarHBondContact O-N 2.96Å; F368-G371 PolarHBondContact O-N 2.63Å; F368-Q372 WeakPolarHBondContact CA-O 3.36Å; F368-K374 HydrophobicContact CE2-CG 4.11Å; F368-K374 WeakPolarHBondContact O-CE 3.38Å; F368-Y388 HydrophobicContact CE2-CD2 4.28Å; F368-Y388 HydrophobicContact CE2-CG 4.36Å; F368-Y388 HydrophobicContact CZ-CD2 4.28Å
369M80.5Confident73.3Confident22 Ų2243 Ų4311%0.10822%0.216CC..Hα-helixtrans-64.6-30.1178.3-74.7-62.7-58.700113.4R307 P343 V345 A365 E366 A367 G371R307-M369 HydrophobicContact CB-CE 3.68Å; R307-M369 VanDerWaalsContact CD-CE 3.5Å; R307-M369 HydrophobicContact CG-CE 3.94Å; P343-M369 HydrophobicContact CB-CE 4.3Å; P343-M369 HydrophobicContact CB-SD 3.99Å; P343-M369 HydrophobicContact CG-CE 3.75Å; P343-M369 HydrophobicContact CG-SD 3.96Å; P343-M369 WeakPolarHBondContact O-CE 3.29Å; V345-M369 HydrophobicContact CG2-CG 3.77Å; V345-M369 HydrophobicContact CG2-SD 3.72Å; A365-M369 WeakPolarHBondContact O-CB 3.34Å; A365-M369 WeakPolarHBondContact O-CG 3.28Å; A365-M369 PolarHBondContact O-N 2.98Å; E366-M369 PolarHBondContact O-N 3.49Å; A367-M369 VanDerWaalsContact C-N 3.33Å; A367-M369 PolarHBondContact O-N 3.36Å; M369-G371 VanDerWaalsContact C-N 3.26Å
370N79.1Confident70.9Confident63 Ų6354.5 Ų54.534%0.33726%0.259SS..THydrogen-bonded Turntrans-83.22.3172.9-69.6-41.8000113.6L278 E366 A367 F368L278-N370 HydrophobicContact CD1-CB 4.16Å; E366-N370 PolarHBondContact O-N 2.93Å; E366-N370 PolarHBondContact O-ND2 3.31Å; A367-N370 PolarHBondContact O-N 2.73Å; F368-N370 VanDerWaalsContact C-N 3.28Å; F368-N370 PolarHBondContact O-N 2.96Å
371G73.7Confident68.9Low34 Ų3459.4 Ų59.435%0.35129%0.286SS..THydrogen-bonded Turntrans97.91.9172.400000115.4A367 F368 M369A367-G371 PolarHBondContact O-N 3.05Å; F368-G371 PolarHBondContact O-N 2.63Å; M369-G371 VanDerWaalsContact C-N 3.26Å
372Q68.3Low66.6Low77 Ų7762.6 Ų62.636%0.3632%0.32SS..THydrogen-bonded Turntrans-73.3150.3172.1-59-62-3300110.4L278 A367 F368 K374 V394L278-Q372 HydrophobicContact CD2-CG 4.33Å; A367-Q372 HydrophobicContact CB-CB 4.38Å; A367-Q372 WeakPolarHBondContact O-CB 2.95Å; A367-Q372 PolarHBondContact O-N 3.05Å; F368-Q372 WeakPolarHBondContact CA-O 3.36Å; Q372-K374 VanDerWaalsContact C-N 3.27Å; Q372-K374 PolarHBondContact O-N 3.32Å; Q372-V394 HydrophobicContact CB-CG2 3.96Å; Q372-V394 HydrophobicContact CG-CG2 4.37Å
373G57.6Low64.1Low6 Ų669.1 Ų69.16%0.06235%0.35CS..THydrogen-bonded Turntrans744.417900000116.1N375G373-N375 PolarHBondContact O-N 2.87Å; G373-N375 VanDerWaalsContact O-N 3.16Å
374K55.1Low61.6Low87 Ų8775.5 Ų75.538%0.37838%0.382SS..  trans-84.479.7177.8-69-177.6-175.4171.90112.6F368 Q372 Y388F368-K374 HydrophobicContact CE2-CG 4.11Å; F368-K374 WeakPolarHBondContact O-CE 3.38Å; Q372-K374 VanDerWaalsContact C-N 3.27Å; Q372-K374 PolarHBondContact O-N 3.32Å; K374-Y388 HydrophobicContact CB-CD1 3.97Å; K374-Y388 HydrophobicContact CB-CE1 3.8Å; K374-Y388 HydrophobicContact CG-CD1 4.2Å; K374-Y388 HydrophobicContact CG-CE1 4.01Å
375N50.2Low59.4Low100 Ų10079 Ų7954%0.53540%0.401SS..  trans-86.3112.3157.4-80.6-12.8000109.2G373 L377 Y388G373-N375 PolarHBondContact O-N 2.87Å; G373-N375 VanDerWaalsContact O-N 3.16Å; N375-L377 PolarHBondContact O-N 3.07Å; N375-Y388 WeakPolarHBondContact O-CD1 3.23Å
376R47.8Very low57.3Low201 Ų20181.7 Ų81.776%0.75841%0.413SS*.  trans-64108.4171.8-74.6-179177.8179.6-0.9108.5Y388R376-Y388 HydrophobicContact CG-CE1 4.23Å
377L45.8Very low55.2Low86 Ų8685.8 Ų85.845%0.4543%0.434SS..  trans-82.6126.7158.7-67177000108N375 I387N375-L377 PolarHBondContact O-N 3.07Å; L377-I387 WeakPolarHBondContact CB-O 3.48Å; L377-I387 WeakPolarHBondContact CD1-O 3.47Å
378I40.9Very low53.4Low142 Ų14287.3 Ų87.373%0.72844%0.44SS*.  trans-82.3115.7167.1-59.4169.1000104.4
379S43.5Very low51.8Low29 Ų2993.6 Ų93.620%0.20347%0.469CS..  trans-54.2144.7173.4-1670000110.3D381 E383S379-D381 PolarHBondContact O-N 2.89Å; S379-D381 VanDerWaalsContact O-N 3.16Å; S379-E383 WeakPolarHBondContact CB-O 3.35Å
380R44.9Very low50.4Low245 Ų24593.6 Ų93.693%0.92547%0.469SS*.THydrogen-bonded Turntrans-60.6-22.4177.9-79.2-178.7172.7175.9-1.8113
381D50.1Low49.2Very low140 Ų14094.1 Ų94.175%0.74947%0.471SS*.THydrogen-bonded Turntrans-10112.3-170.3-60.4-28.7000114.4S379 E383S379-D381 PolarHBondContact O-N 2.89Å; S379-D381 VanDerWaalsContact O-N 3.16Å; D381-E383 PolarHBondContact O-N 3.17Å
382G43.4Very low48.5Very low68 Ų6898.2 Ų98.270%0.70149%0.485SS*.SBendtrans71.8-15176.800000115.1M384G382-M384 PolarHBondContact O-N 3.36Å
383E41.1Very low48.5Very low137 Ų137100 Ų10064%0.6450%0.497SS*.SBendtrans-67.8126158.4-69-157.3151.100108.3S379 D381 D385S379-E383 WeakPolarHBondContact CB-O 3.35Å; D381-E383 PolarHBondContact O-N 3.17Å; E383-D385 PolarHBondContact O-N 3.36Å
384M39Very low49.3Very low134 Ų134100.3 Ų100.366%0.6650%0.498SS*.  trans-69.969.4177.4-74.5-84.1-15300110.4G382 H386G382-M384 PolarHBondContact O-N 3.36Å; M384-H386 VanDerWaalsContact C-N 3.26Å; M384-H386 PolarHBondContact O-N 3.22Å
385D42.6Very low50.8Low79 Ų79100.3 Ų100.342%0.42250%0.502SS..  trans-72.194.2162.5-76.9-21.5000106.5E383 I387E383-D385 PolarHBondContact O-N 3.36Å; D385-I387 HydrophobicContact CB-CD1 4.33Å; D385-I387 HydrophobicContact CB-CG1 4.17Å; D385-I387 PolarHBondContact O-N 3.25Å
386H45.2Very low52.7Low56 Ų5695.8 Ų95.826%0.25948%0.478SS..  trans-62.893.1161.9-59.3-43.3000105.8N323 M384 Y388N323-H386 CarbonylContact C-O 3.57Å; N323-H386 WeakPolarHBondContact CA-O 3.43Å; N323-H386 HydrophobicContact CB-CB 4.18Å; N323-H386 CarbonylContact O-C 3.53Å; M384-H386 VanDerWaalsContact C-N 3.26Å; M384-H386 PolarHBondContact O-N 3.22Å; H386-Y388 HydrophobicContact CB-CD2 4.31Å; H386-Y388 HydrophobicContact CB-CE2 3.7Å
387I43.7Very low54.7Low91 Ų9191.7 Ų91.747%0.46747%0.467SS..  trans-104.3100.5163.8-60.7172000103.9L377 D385L377-I387 WeakPolarHBondContact CB-O 3.48Å; L377-I387 WeakPolarHBondContact CD1-O 3.47Å; D385-I387 HydrophobicContact CB-CD1 4.33Å; D385-I387 HydrophobicContact CB-CG1 4.17Å; D385-I387 PolarHBondContact O-N 3.25Å
388Y48.6Very low56.9Low32 Ų3291.3 Ų91.313%0.12546%0.463CS..BIsolated β-bridgetrans-82.3121.6171.8-53.3-94.5000108.2N323 W324 F368 K374 N375 R376 H386N323-Y388 VanDerWaalsContact O-CD2 3.28Å; N323-Y388 WeakPolarHBondContact O-CD2 3.37Å; W324-Y388 HydrophobicContact CB-CD2 4.17Å; W324-Y388 VanDerWaalsContact CD1-CB 3.41Å; W324-Y388 HydrophobicContact CG-CD2 4.38Å; W324-Y388 PolarHBondContact NE1-O 3.07Å; F368-Y388 HydrophobicContact CE2-CD2 4.28Å; F368-Y388 HydrophobicContact CE2-CG 4.36Å; F368-Y388 HydrophobicContact CZ-CD2 4.28Å; K374-Y388 HydrophobicContact CB-CD1 3.97Å; K374-Y388 HydrophobicContact CB-CE1 3.8Å; K374-Y388 HydrophobicContact CG-CD1 4.2Å; K374-Y388 HydrophobicContact CG-CE1 4.01Å; N375-Y388 WeakPolarHBondContact O-CD1 3.23Å; R376-Y388 HydrophobicContact CG-CE1 4.23Å; H386-Y388 HydrophobicContact CB-CD2 4.31Å; H386-Y388 HydrophobicContact CB-CE2 3.7Å
389H47.4Very low59.4Low136 Ų13684.6 Ų84.663%0.6343%0.428SS*.PPolyproline II helixtrans-76.7123.5157.3-84.1-87.9000106.9N391H389-N391 PolarHBondContact O-N 3.22Å
390F51.7Low61.8Low23 Ų2384.9 Ų84.910%0.10143%0.425CS..PPolyproline II helixtrans-60.7125.3171.3-168.7-96.8000107.5W324 Y326 H364W324-F390 HydrophobicContact CH2-CD2 4.45Å; W324-F390 HydrophobicContact CZ2-CB 4.12Å; W324-F390 AromaticContact CZ2-CD2 3.77Å; W324-F390 HydrophobicContact CZ2-CD2 3.77Å; W324-F390 HydrophobicContact CZ2-CG 4.33Å; Y326-F390 HydrophobicContact CD2-CB 3.46Å; Y326-F390 VanDerWaalsContact CD2-CB 3.46Å; Y326-F390 HydrophobicContact CD2-CD1 4.25Å; Y326-F390 AromaticContact CD2-CG 4Å; Y326-F390 HydrophobicContact CD2-CG 4Å; Y326-F390 HydrophobicContact CE2-CB 3.94Å; Y326-F390 AromaticContact CE2-CD1 3.93Å; Y326-F390 HydrophobicContact CE2-CD1 3.93Å; Y326-F390 HydrophobicContact CE2-CG 4.16Å; Y326-F390 HydrophobicContact CG-CB 4.25Å; H364-F390 AromaticContact CE1-CE1 3.62Å; H364-F390 AromaticContact CE1-CZ 3.87Å; H364-F390 AromaticContact ND1-CE1 3.23Å; H364-F390 WeakPolarHBondContact ND1-CE1 3.3Å; H364-F390 AromaticContact ND1-CE2 3.92Å; H364-F390 AromaticContact ND1-CZ 3.1Å; H364-F390 WeakPolarHBondContact ND1-CZ 3.31Å
391N52.8Low64.1Low73 Ų7375.5 Ų75.539%0.3940%0.395SS..PPolyproline II helixtrans-94.4131.7172.3-156.216.7000107.2H389 N393H389-N391 PolarHBondContact O-N 3.22Å; N391-N393 PolarHBondContact ND2-OD1 2.89Å; N391-N393 VanDerWaalsContact ND2-OD1 3.11Å; N391-N393 PolarHBondContact O-N 2.94Å
392D59.5Low66.2Low120 Ų12071.3 Ų71.364%0.64237%0.37SS*.SBendtrans-69.137.4-179.2-68.4-25000113.2V394D392-V394 PolarHBondContact O-N 2.92Å; D392-V394 VanDerWaalsContact O-N 3.13Å
393N67.5Low68.7Low114 Ų11468.1 Ų68.161%0.6134%0.337SS*.  trans-67.1-9.9174.1-70.52.7000112.2N391N391-N393 PolarHBondContact ND2-OD1 2.89Å; N391-N393 VanDerWaalsContact ND2-OD1 3.11Å; N391-N393 PolarHBondContact O-N 2.94Å
394V75.5Confident71.1Confident13 Ų1366.3 Ų66.38%0.07933%0.329CS..SBendtrans-121.6113-176.2-158.90000109.6L278 F363 A367 Q372 D392 F396L278-V394 HydrophobicContact CD2-CG1 3.73Å; L278-V394 HydrophobicContact CD2-CG2 4.5Å; F363-V394 HydrophobicContact CE1-CB 4.16Å; F363-V394 HydrophobicContact CE1-CG1 3.35Å; F363-V394 HydrophobicContact CE2-CG1 4.39Å; F363-V394 HydrophobicContact CZ-CB 4.45Å; F363-V394 HydrophobicContact CZ-CG1 3.22Å; A367-V394 HydrophobicContact CB-CG2 4.47Å; Q372-V394 HydrophobicContact CB-CG2 3.96Å; Q372-V394 HydrophobicContact CG-CG2 4.37Å; D392-V394 PolarHBondContact O-N 2.92Å; D392-V394 VanDerWaalsContact O-N 3.13Å; V394-F396 PolarHBondContact O-N 2.81Å
395D85.2Confident73.8Confident87 Ų8765.8 Ų65.847%0.46533%0.328SS..  trans-88.1103.7178.8-177.2-10.2000110.5Y277 H397 H398 F399Y277-D395 PolarHBondContact OH-O 3.32Å; D395-H397 VanDerWaalsContact C-N 3.35Å; D395-H397 WeakPolarHBondContact OD1-CA 3.18Å; D395-H397 VanDerWaalsContact OD1-CB 3.29Å; D395-H397 WeakPolarHBondContact OD1-CB 3.49Å; D395-H397 PolarHBondContact OD1-N 2.74Å; D395-H398 HydrophobicContact CB-CB 3.98Å; D395-H398 VanDerWaalsContact CG-CB 3.46Å; D395-H398 PolarHBondContact OD1-N 3.38Å; D395-H398 VanDerWaalsContact OD2-CB 3.27Å; D395-H398 WeakPolarHBondContact OD2-CB 3.46Å; D395-F399 PolarHBondContact O-N 3.24Å
396F89.9Confident76.1Confident6 Ų663.6 Ų63.63%0.02632%0.319CS..Hα-helixtrans-66.1-35.8173.9176.3-111000112.2Y356 L359 E360 F363 V394 H398 F399 Y400Y356-F396 HydrophobicContact CD1-CE1 4.25Å; Y356-F396 HydrophobicContact CD2-CE1 4.19Å; Y356-F396 HydrophobicContact CE1-CD1 4.18Å; Y356-F396 AromaticContact CE1-CE1 3.75Å; Y356-F396 HydrophobicContact CE1-CE1 3.75Å; Y356-F396 HydrophobicContact CE2-CD1 4.42Å; Y356-F396 AromaticContact CE2-CE1 3.7Å; Y356-F396 HydrophobicContact CE2-CE1 3.7Å; Y356-F396 HydrophobicContact CG-CE1 4.44Å; Y356-F396 AromaticContact CZ-CD1 3.84Å; Y356-F396 AromaticContact CZ-CE1 3.46Å; Y356-F396 VanDerWaalsContact CZ-CE1 3.46Å; L359-F396 HydrophobicContact CB-CE2 4.36Å; L359-F396 HydrophobicContact CB-CZ 3.9Å; E360-F396 VanDerWaalsContact CA-CZ 3.44Å; E360-F396 HydrophobicContact CB-CD1 3.6Å; E360-F396 HydrophobicContact CB-CD2 4.42Å; E360-F396 HydrophobicContact CB-CE1 3.41Å; E360-F396 VanDerWaalsContact CB-CE1 3.41Å; E360-F396 HydrophobicContact CB-CE2 4.26Å; E360-F396 HydrophobicContact CB-CG 4.12Å; E360-F396 HydrophobicContact CB-CZ 3.76Å; E360-F396 HydrophobicContact CG-CB 4.27Å; E360-F396 HydrophobicContact CG-CD1 3.46Å; E360-F396 VanDerWaalsContact CG-CD1 3.46Å; E360-F396 HydrophobicContact CG-CD2 4.45Å; E360-F396 HydrophobicContact CG-CE1 3.86Å; E360-F396 HydrophobicContact CG-CG 3.8Å; E360-F396 HydrophobicContact CG-CZ 4.49Å; E360-F396 VanDerWaalsContact N-CZ 3.3Å; F363-F396 HydrophobicContact CB-CD2 3.61Å; F363-F396 HydrophobicContact CB-CE2 3.84Å; F363-F396 HydrophobicContact CD1-CB 3.83Å; F363-F396 AromaticContact CD1-CD2 3.58Å; F363-F396 HydrophobicContact CD1-CD2 3.58Å; F363-F396 HydrophobicContact CD1-CG 4.14Å; F363-F396 HydrophobicContact CD2-CD2 4.25Å; F363-F396 HydrophobicContact CE1-CB 3.94Å; F363-F396 HydrophobicContact CE1-CD2 4.23Å; F363-F396 AromaticContact CG-CD2 3.57Å; F363-F396 HydrophobicContact CG-CD2 3.57Å; F363-F396 HydrophobicContact CG-CE2 4.22Å; V394-F396 PolarHBondContact O-N 2.81Å; F396-H398 PolarHBondContact O-N 3.36Å; F396-F399 AromaticContact CD2-CD1 3.81Å; F396-F399 HydrophobicContact CD2-CD1 3.81Å; F396-F399 AromaticContact CE2-CD1 3.83Å; F396-F399 HydrophobicContact CE2-CD1 3.83Å; F396-F399 HydrophobicContact CE2-CE1 4.26Å; F396-F399 CarbonylContact O-C 3.58Å; F396-F399 WeakPolarHBondContact O-CB 3.29Å; F396-F399 PolarHBondContact O-N 2.74Å; F396-Y400 HydrophobicContact CE1-CD2 4.23Å; F396-Y400 AromaticContact CZ-CD2 3.86Å; F396-Y400 HydrophobicContact CZ-CD2 3.86Å; F396-Y400 HydrophobicContact CZ-CG 4.5Å; F396-Y400 WeakPolarHBondContact O-CB 3.43Å; F396-Y400 PolarHBondContact O-N 3.02Å
397H91.1Very high78.3Confident115 Ų11570.6 Ų70.653%0.53234%0.343SS..Hα-helixtrans-64.9-41.2-179.1-173.873.2000111.7D395 Y400 T401D395-H397 VanDerWaalsContact C-N 3.35Å; D395-H397 WeakPolarHBondContact OD1-CA 3.18Å; D395-H397 VanDerWaalsContact OD1-CB 3.29Å; D395-H397 WeakPolarHBondContact OD1-CB 3.49Å; D395-H397 PolarHBondContact OD1-N 2.74Å; H397-Y400 PolarHBondContact O-N 3.11Å; H397-T401 WeakPolarHBondContact O-CB 3.33Å; H397-T401 PolarHBondContact O-N 2.85Å; H397-T401 PolarHBondContact O-OG1 2.72Å
398H91.9Very high80.7Confident78 Ų7866.8 Ų66.836%0.36132%0.323SS..Hα-helixtrans-65.5-41172.6176.3-106.6000112Y277 D395 F396 T401 K402Y277-H398 AromaticContact CE2-ND1 3.93Å; Y277-H398 AromaticContact CZ-ND1 3.85Å; Y277-H398 PolarHBondContact OH-ND1 2.97Å; D395-H398 HydrophobicContact CB-CB 3.98Å; D395-H398 VanDerWaalsContact CG-CB 3.46Å; D395-H398 PolarHBondContact OD1-N 3.38Å; D395-H398 VanDerWaalsContact OD2-CB 3.27Å; D395-H398 WeakPolarHBondContact OD2-CB 3.46Å; F396-H398 PolarHBondContact O-N 3.36Å; H398-T401 PolarHBondContact O-N 3.37Å; H398-K402 WeakPolarHBondContact CE1-CE 3.38Å; H398-K402 VanDerWaalsContact NE2-CE 3.31Å; H398-K402 WeakPolarHBondContact NE2-CE 3.28Å; H398-K402 PolarHBondContact O-N 3.14Å
399F93.1Very high82.8Confident0 Ų067.1 Ų67.10%033%0.328CS..Hα-helixtrans-59.8-47.5173.4171.3-109.2000112.2F270 I273 V274 Y277 V283 F363 D395 F396 T401 K402 L403F270-F399 HydrophobicContact CE2-CE1 4.1Å; F270-F399 HydrophobicContact CE2-CZ 4.37Å; F270-F399 HydrophobicContact CZ-CE1 4.48Å; I273-F399 HydrophobicContact CG2-CE2 3.7Å; I273-F399 HydrophobicContact CG2-CZ 3.87Å; V274-F399 HydrophobicContact CG2-CE1 4.28Å; V274-F399 HydrophobicContact CG2-CE2 4.36Å; V274-F399 HydrophobicContact CG2-CZ 3.73Å; Y277-F399 HydrophobicContact CD1-CB 4.29Å; Y277-F399 AromaticContact CD1-CD2 3.59Å; Y277-F399 HydrophobicContact CD1-CD2 3.59Å; Y277-F399 HydrophobicContact CD1-CE2 4.29Å; Y277-F399 HydrophobicContact CD1-CG 4.25Å; Y277-F399 AromaticContact CD2-CD2 3.86Å; Y277-F399 HydrophobicContact CD2-CD2 3.86Å; Y277-F399 HydrophobicContact CE1-CB 3.79Å; Y277-F399 AromaticContact CE1-CD2 3.97Å; Y277-F399 HydrophobicContact CE1-CD2 3.97Å; Y277-F399 HydrophobicContact CE1-CG 4.24Å; Y277-F399 HydrophobicContact CE2-CB 4.31Å; Y277-F399 HydrophobicContact CE2-CD2 4.22Å; Y277-F399 AromaticContact CG-CD2 3.51Å; Y277-F399 HydrophobicContact CG-CD2 3.51Å; Y277-F399 HydrophobicContact CG-CE2 4.04Å; V283-F399 HydrophobicContact CG2-CD2 4.09Å; V283-F399 HydrophobicContact CG2-CE2 4.04Å; F363-F399 AromaticContact CD2-CD1 3.53Å; F363-F399 HydrophobicContact CD2-CD1 3.53Å; F363-F399 HydrophobicContact CD2-CD2 4.44Å; F363-F399 AromaticContact CD2-CE1 3.62Å; F363-F399 HydrophobicContact CD2-CE1 3.62Å; F363-F399 AromaticContact CD2-CG 3.95Å; F363-F399 HydrophobicContact CD2-CG 3.95Å; F363-F399 HydrophobicContact CD2-CZ 4.14Å; F363-F399 HydrophobicContact CE2-CB 3.94Å; F363-F399 AromaticContact CE2-CD1 3.65Å; F363-F399 HydrophobicContact CE2-CD1 3.65Å; F363-F399 AromaticContact CE2-CD2 3.91Å; F363-F399 HydrophobicContact CE2-CD2 3.91Å; F363-F399 HydrophobicContact CE2-CE1 4.06Å; F363-F399 HydrophobicContact CE2-CE2 4.29Å; F363-F399 AromaticContact CE2-CG 3.55Å; F363-F399 HydrophobicContact CE2-CG 3.55Å; F363-F399 HydrophobicContact CE2-CZ 4.36Å; F363-F399 HydrophobicContact CG-CD1 4.2Å; F363-F399 HydrophobicContact CG-CE1 4.42Å; F363-F399 HydrophobicContact CZ-CB 4.01Å; F363-F399 HydrophobicContact CZ-CD1 4.4Å; F363-F399 HydrophobicContact CZ-CG 4.14Å; D395-F399 PolarHBondContact O-N 3.24Å; F396-F399 AromaticContact CD2-CD1 3.81Å; F396-F399 HydrophobicContact CD2-CD1 3.81Å; F396-F399 AromaticContact CE2-CD1 3.83Å; F396-F399 HydrophobicContact CE2-CD1 3.83Å; F396-F399 HydrophobicContact CE2-CE1 4.26Å; F396-F399 CarbonylContact O-C 3.58Å; F396-F399 WeakPolarHBondContact O-CB 3.29Å; F396-F399 PolarHBondContact O-N 2.74Å; F399-T401 PolarHBondContact O-N 2.83Å; F399-K402 PolarHBondContact O-N 3.48Å; F399-K402 VanDerWaalsContact O-N 3.16Å; F399-L403 HydrophobicContact CD1-CD1 3.91Å; F399-L403 HydrophobicContact CE1-CD1 3.31Å; F399-L403 HydrophobicContact CE1-CG 4.09Å; F399-L403 HydrophobicContact CE2-CD1 4.28Å; F399-L403 HydrophobicContact CE2-CG 4.18Å; F399-L403 HydrophobicContact CZ-CD1 3.53Å; F399-L403 HydrophobicContact CZ-CD2 4.25Å; F399-L403 HydrophobicContact CZ-CG 3.9Å; F399-L403 PolarHBondContact O-N 3.46Å
400Y94Very high84.9Confident36 Ų3661.3 Ų61.314%0.14130%0.302CS..Hα-helixtrans-61-44179-171.8-93.9000111.4Y356 L359 F396 H397 K402 L403 Q404 L410Y356-Y400 HydrophobicContact CD2-CD1 4.28Å; Y356-Y400 AromaticContact CD2-CD2 3.87Å; Y356-Y400 HydrophobicContact CD2-CD2 3.87Å; Y356-Y400 AromaticContact CD2-CE1 3.98Å; Y356-Y400 HydrophobicContact CD2-CE1 3.98Å; Y356-Y400 AromaticContact CD2-CE2 3.59Å; Y356-Y400 HydrophobicContact CD2-CE2 3.59Å; Y356-Y400 HydrophobicContact CD2-CG 4.22Å; Y356-Y400 AromaticContact CD2-CZ 3.65Å; Y356-Y400 AromaticContact CE2-CD1 3.85Å; Y356-Y400 HydrophobicContact CE2-CD1 3.85Å; Y356-Y400 AromaticContact CE2-CD2 3.85Å; Y356-Y400 HydrophobicContact CE2-CD2 3.85Å; Y356-Y400 AromaticContact CE2-CE1 3.98Å; Y356-Y400 HydrophobicContact CE2-CE1 3.98Å; Y356-Y400 HydrophobicContact CE2-CE2 4.02Å; Y356-Y400 AromaticContact CE2-CG 3.77Å; Y356-Y400 HydrophobicContact CE2-CG 3.77Å; L359-Y400 HydrophobicContact CD1-CE2 4.12Å; F396-Y400 HydrophobicContact CE1-CD2 4.23Å; F396-Y400 AromaticContact CZ-CD2 3.86Å; F396-Y400 HydrophobicContact CZ-CD2 3.86Å; F396-Y400 HydrophobicContact CZ-CG 4.5Å; F396-Y400 WeakPolarHBondContact O-CB 3.43Å; F396-Y400 PolarHBondContact O-N 3.02Å; H397-Y400 PolarHBondContact O-N 3.11Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 3.21Å; Y400-L403 WeakPolarHBondContact O-CB 3.46Å; Y400-L403 PolarHBondContact O-N 3.34Å; Y400-Q404 HydrophobicContact CD1-CG 4.28Å; Y400-Q404 HydrophobicContact CE1-CG 4.08Å; Y400-Q404 VanDerWaalsContact CE1-NE2 3.3Å; Y400-Q404 WeakPolarHBondContact O-CG 3.35Å; Y400-Q404 PolarHBondContact O-N 3.21Å; Y400-L410 HydrophobicContact CD1-CD1 4.33Å; Y400-L410 HydrophobicContact CD2-CD1 3.9Å; Y400-L410 HydrophobicContact CE1-CD1 3.99Å; Y400-L410 HydrophobicContact CE2-CB 4.07Å; Y400-L410 HydrophobicContact CE2-CD1 3.49Å; Y400-L410 VanDerWaalsContact CE2-CD1 3.49Å; Y400-L410 HydrophobicContact CE2-CG 4.3Å; Y400-L410 HydrophobicContact CG-CD1 4.29Å
401T94Very high86.7Confident48 Ų4869.4 Ų69.429%0.29433%0.332SS..Hα-helixtrans-60.9-41.6174.4-59.50000111.7H397 H398 F399 Q404 N405H397-T401 WeakPolarHBondContact O-CB 3.33Å; H397-T401 PolarHBondContact O-N 2.85Å; H397-T401 PolarHBondContact O-OG1 2.72Å; H398-T401 PolarHBondContact O-N 3.37Å; F399-T401 PolarHBondContact O-N 2.83Å; T401-Q404 PolarHBondContact O-N 2.88Å; T401-N405 VanDerWaalsContact O-CG 3.29Å; T401-N405 PolarHBondContact O-N 3.29Å; T401-N405 PolarHBondContact O-ND2 2.86Å
402K94.3Very high88.4Confident52 Ų5269.4 Ų69.423%0.22633%0.332CS..Hα-helixtrans-66.4-35.7175.3-77.5-168171.9-1750113Y277 G281 N282 V283 H398 F399 Y400 N405 S406Y277-K402 HydrophobicContact CD2-CD 4.48Å; Y277-K402 HydrophobicContact CE2-CD 4.07Å; G281-K402 PolarHBondContact O-NZ 2.88Å; N282-K402 PolarHBondContact OD1-NZ 2.81Å; V283-K402 HydrophobicContact CB-CB 4.28Å; V283-K402 HydrophobicContact CG2-CB 3.62Å; H398-K402 WeakPolarHBondContact CE1-CE 3.38Å; H398-K402 VanDerWaalsContact NE2-CE 3.31Å; H398-K402 WeakPolarHBondContact NE2-CE 3.28Å; H398-K402 PolarHBondContact O-N 3.14Å; F399-K402 PolarHBondContact O-N 3.48Å; F399-K402 VanDerWaalsContact O-N 3.16Å; Y400-K402 VanDerWaalsContact C-N 3.33Å; Y400-K402 PolarHBondContact O-N 3.21Å; K402-N405 PolarHBondContact O-N 2.76Å; K402-S406 WeakPolarHBondContact O-CB 3.42Å; K402-S406 PolarHBondContact O-N 3.16Å; K402-S406 PolarHBondContact O-OG 2.88Å
403L94.3Very high90Very high0 Ų066 Ų660%031%0.312CS..Hα-helixtrans-61.3-46.4172.1-82.2174.6000111.4L265 I273 V283 F399 Y400 S406 R407 W408 L410L265-L403 HydrophobicContact CD1-CD1 4.39Å; I273-L403 HydrophobicContact CD1-CD2 4.39Å; I273-L403 HydrophobicContact CG2-CD2 3.87Å; V283-L403 HydrophobicContact CG1-CD2 3.95Å; V283-L403 HydrophobicContact CG2-CG 4.45Å; F399-L403 HydrophobicContact CD1-CD1 3.91Å; F399-L403 HydrophobicContact CE1-CD1 3.31Å; F399-L403 HydrophobicContact CE1-CG 4.09Å; F399-L403 HydrophobicContact CE2-CD1 4.28Å; F399-L403 HydrophobicContact CE2-CG 4.18Å; F399-L403 HydrophobicContact CZ-CD1 3.53Å; F399-L403 HydrophobicContact CZ-CD2 4.25Å; F399-L403 HydrophobicContact CZ-CG 3.9Å; F399-L403 PolarHBondContact O-N 3.46Å; Y400-L403 WeakPolarHBondContact O-CB 3.46Å; Y400-L403 PolarHBondContact O-N 3.34Å; L403-S406 CarbonylContact O-C 3.54Å; L403-S406 PolarHBondContact O-N 3.12Å; L403-S406 VanDerWaalsContact O-N 3.15Å; L403-R407 PolarHBondContact O-N 3.41Å; L403-W408 HydrophobicContact CD2-CB 4.26Å; L403-W408 HydrophobicContact CD2-CG 3.95Å; L403-W408 PolarHBondContact O-N 3.36Å; L403-L410 HydrophobicContact CB-CD1 3.98Å; L403-L410 HydrophobicContact CB-CD2 4.09Å; L403-L410 HydrophobicContact CD1-CD2 4.09Å
404Q93.2Very high91Very high100 Ų10062 Ų6247%0.46729%0.293SS..Hα-helixtrans-58.9-48.1176.3-70.4-179.3-40.100111.5Y400 T401 S406 R407 L410Y400-Q404 HydrophobicContact CD1-CG 4.28Å; Y400-Q404 HydrophobicContact CE1-CG 4.08Å; Y400-Q404 VanDerWaalsContact CE1-NE2 3.3Å; Y400-Q404 WeakPolarHBondContact O-CG 3.35Å; Y400-Q404 PolarHBondContact O-N 3.21Å; T401-Q404 PolarHBondContact O-N 2.88Å; Q404-S406 PolarHBondContact O-N 2.87Å; Q404-R407 PolarHBondContact O-N 3.24Å; Q404-L410 HydrophobicContact CB-CD1 4.4Å; Q404-L410 HydrophobicContact CG-CD1 3.35Å; Q404-L410 HydrophobicContact CG-CG 4.5Å
405N93.8Very high91.8Very high122 Ų12262 Ų6265%0.65229%0.292SS*.Hα-helixtrans-61.9-29.1177.9-70.6-24.3000112.7T401 K402 R407T401-N405 VanDerWaalsContact O-CG 3.29Å; T401-N405 PolarHBondContact O-N 3.29Å; T401-N405 PolarHBondContact O-ND2 2.86Å; K402-N405 PolarHBondContact O-N 2.76Å; N405-R407 PolarHBondContact O-N 3.01Å
406S92.5Very high91.9Very high34 Ų3459 Ų5924%0.23828%0.276CS..THydrogen-bonded Turntrans-83.44.8177.6-57.50000113.7K402 L403 Q404 W408K402-S406 WeakPolarHBondContact O-CB 3.42Å; K402-S406 PolarHBondContact O-N 3.16Å; K402-S406 PolarHBondContact O-OG 2.88Å; L403-S406 CarbonylContact O-C 3.54Å; L403-S406 PolarHBondContact O-N 3.12Å; L403-S406 VanDerWaalsContact O-N 3.15Å; Q404-S406 PolarHBondContact O-N 2.87Å; S406-W408 VanDerWaalsContact C-N 3.31Å; S406-W408 PolarHBondContact O-N 3.15Å
407R91.5Very high91.9Very high202 Ų20260.2 Ų60.276%0.76228%0.283SS*.THydrogen-bonded Turntrans65.924177.6-50.6-179.3-179.8-169.7-2.1115.1I286 L403 Q404 N405I286-R407 HydrophobicContact CD1-CB 4.17Å; I286-R407 WeakPolarHBondContact CD1-O 3.4Å; L403-R407 PolarHBondContact O-N 3.41Å; Q404-R407 PolarHBondContact O-N 3.24Å; N405-R407 PolarHBondContact O-N 3.01Å
408W94.1Very high91.8Very high11 Ų1157.3 Ų57.34%0.04227%0.272CS..  trans-68.7144.6168.3-69.797.4000110.1L265 I273 I286 V289 L403 S406 L410L265-W408 HydrophobicContact CD2-CD2 3.91Å; L265-W408 HydrophobicContact CD2-CE3 3.47Å; L265-W408 VanDerWaalsContact CD2-CE3 3.47Å; L265-W408 HydrophobicContact CD2-CG 4.44Å; L265-W408 HydrophobicContact CD2-CZ3 3.93Å; L265-W408 HydrophobicContact CG-CE3 4.15Å; I273-W408 HydrophobicContact CD1-CD2 4.08Å; I273-W408 HydrophobicContact CD1-CE3 4.36Å; I273-W408 HydrophobicContact CD1-CH2 3.9Å; I273-W408 HydrophobicContact CD1-CZ2 3.52Å; I273-W408 HydrophobicContact CD1-CZ3 4.3Å; I273-W408 HydrophobicContact CG1-CZ2 4.26Å; I286-W408 HydrophobicContact CB-CH2 4.49Å; I286-W408 HydrophobicContact CB-CZ2 4.26Å; I286-W408 HydrophobicContact CG1-CD2 4.12Å; I286-W408 HydrophobicContact CG1-CH2 4.34Å; I286-W408 HydrophobicContact CG1-CZ2 3.92Å; I286-W408 HydrophobicContact CG2-CH2 4.42Å; V289-W408 HydrophobicContact CB-CH2 3.9Å; V289-W408 HydrophobicContact CB-CZ2 3.83Å; V289-W408 HydrophobicContact CG1-CH2 3.83Å; V289-W408 HydrophobicContact CG1-CZ2 4.1Å; V289-W408 HydrophobicContact CG2-CH2 4.39Å; V289-W408 HydrophobicContact CG2-CZ2 3.85Å; L403-W408 HydrophobicContact CD2-CB 4.26Å; L403-W408 HydrophobicContact CD2-CG 3.95Å; L403-W408 PolarHBondContact O-N 3.36Å; S406-W408 VanDerWaalsContact C-N 3.31Å; S406-W408 PolarHBondContact O-N 3.15Å; W408-L410 HydrophobicContact CB-CD2 4.1Å; W408-L410 PolarHBondContact O-N 3.04Å
409V91.9Very high91.7Very high39 Ų3960.8 Ų60.824%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-82.4116.9174.5177.60000107.7C263 R411C263-V409 HydrophobicContact CB-CG2 3.85Å; C263-V409 PolarHBondContact O-N 2.87Å; V409-R411 HydrophobicContact CG1-CG 3.65Å
410L91.7Very high91.6Very high14 Ų1467.4 Ų67.47%0.07332%0.319CS..EExtended strand (participates in β ladder)trans-109.6-4.1-176.5-53.7-176.4000113.9L265 I355 L359 Y400 L403 Q404 W408 D412L265-L410 HydrophobicContact CD1-CD2 3.71Å; I355-L410 WeakPolarHBondContact CG2-O 3.33Å; L359-L410 HydrophobicContact CD1-CD2 4.46Å; Y400-L410 HydrophobicContact CD1-CD1 4.33Å; Y400-L410 HydrophobicContact CD2-CD1 3.9Å; Y400-L410 HydrophobicContact CE1-CD1 3.99Å; Y400-L410 HydrophobicContact CE2-CB 4.07Å; Y400-L410 HydrophobicContact CE2-CD1 3.49Å; Y400-L410 VanDerWaalsContact CE2-CD1 3.49Å; Y400-L410 HydrophobicContact CE2-CG 4.3Å; Y400-L410 HydrophobicContact CG-CD1 4.29Å; L403-L410 HydrophobicContact CB-CD1 3.98Å; L403-L410 HydrophobicContact CB-CD2 4.09Å; L403-L410 HydrophobicContact CD1-CD2 4.09Å; Q404-L410 HydrophobicContact CB-CD1 4.4Å; Q404-L410 HydrophobicContact CG-CD1 3.35Å; Q404-L410 HydrophobicContact CG-CG 4.5Å; W408-L410 HydrophobicContact CB-CD2 4.1Å; W408-L410 PolarHBondContact O-N 3.04Å; L410-D412 VanDerWaalsContact C-N 3.27Å
411R89.3Confident91.6Very high193 Ų19370.6 Ų70.673%0.72833%0.331SS*.EExtended strand (participates in β ladder)trans-77.7-13.9175.160.2166.2-173.6-151.3-3.6113.5I355 V409I355-R411 WeakPolarHBondContact CD1-O 3.19Å; V409-R411 HydrophobicContact CG1-CG 3.65Å
412D88.8Confident91.4Very high74 Ų7470.1 Ų70.140%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-143.5149.6-176.1-61.3-54.1000108.5T264 L410T264-D412 HydrophobicContact CG2-CB 4.42Å; L410-D412 VanDerWaalsContact C-N 3.27Å
413H91.8Very high91Very high47 Ų4772.2 Ų72.222%0.21835%0.345CS..EExtended strand (participates in β ladder)trans-135.3158.3170.567.458.6000110.8F415H413-F415 HydrophobicContact CB-CD1 4.34Å; H413-F415 HydrophobicContact CB-CD2 4.36Å; H413-F415 HydrophobicContact CB-CG 4.24Å; H413-F415 PolarHBondContact ND1-N 3.41Å
414S90.3Very high90.3Very high31 Ų3176.4 Ų76.422%0.21738%0.38CS..  trans-109.830173.5-540000111.6T137 L265T137-S414 WeakPolarHBondContact CA-O 3.33Å; T137-S414 WeakPolarHBondContact CG2-O 3.44Å; L265-S414 PolarHBondContact O-N 3.35Å
415F90.9Very high89.6Confident13 Ų1375.6 Ų75.66%0.05738%0.382CS..  trans-74.4144.9174.7-57.3-12.6000111.5L265 N266 E267 F270 F304 L310 I358 L359 A362 H413 V417L265-F415 HydrophobicContact CB-CE1 4.04Å; L265-F415 HydrophobicContact CB-CZ 4.3Å; N266-F415 VanDerWaalsContact C-CE1 3.46Å; E267-F415 HydrophobicContact CG-CD1 4.19Å; E267-F415 WeakPolarHBondContact OE1-CA 3.38Å; F270-F415 HydrophobicContact CB-CE1 3.82Å; F270-F415 HydrophobicContact CB-CZ 3.79Å; F270-F415 HydrophobicContact CD1-CZ 4.17Å; F270-F415 HydrophobicContact CD2-CE1 4.49Å; F270-F415 AromaticContact CD2-CZ 3.68Å; F270-F415 HydrophobicContact CD2-CZ 3.68Å; F270-F415 HydrophobicContact CE2-CZ 4.23Å; F270-F415 HydrophobicContact CG-CE1 4.17Å; F270-F415 AromaticContact CG-CZ 3.61Å; F270-F415 HydrophobicContact CG-CZ 3.61Å; F304-F415 HydrophobicContact CZ-CD2 4.46Å; F304-F415 HydrophobicContact CZ-CG 4.44Å; L310-F415 HydrophobicContact CD1-CB 4.01Å; L310-F415 HydrophobicContact CD1-CD2 3.81Å; L310-F415 HydrophobicContact CD1-CG 4.28Å; I358-F415 HydrophobicContact CG2-CD2 4.21Å; L359-F415 HydrophobicContact CD2-CE2 3.64Å; L359-F415 HydrophobicContact CD2-CZ 3.71Å; A362-F415 HydrophobicContact CB-CE2 4.04Å; H413-F415 HydrophobicContact CB-CD1 4.34Å; H413-F415 HydrophobicContact CB-CD2 4.36Å; H413-F415 HydrophobicContact CB-CG 4.24Å; H413-F415 PolarHBondContact ND1-N 3.41Å; F415-V417 HydrophobicContact CB-CG2 4.18Å; F415-V417 PolarHBondContact O-N 2.89Å
416I87.8Confident88.8Confident24 Ų2473.7 Ų73.712%0.12338%0.376CS..  trans-75.9111.5166.2-62.9158.9000107.7H134 T137 E267 P303H134-I416 WeakPolarHBondContact ND1-CD1 3.38Å; T137-I416 HydrophobicContact CG2-CD1 3.82Å; T137-I416 HydrophobicContact CG2-CG1 3.96Å; T137-I416 WeakPolarHBondContact OG1-CG1 3.27Å; E267-I416 WeakPolarHBondContact OE1-CG1 3.29Å; E267-I416 PolarHBondContact OE1-N 3.21Å; P303-I416 HydrophobicContact CB-CD1 4.18Å; P303-I416 HydrophobicContact CG-CD1 3.59Å
417V89.9Confident88Confident31 Ų3178.6 Ų78.619%0.18840%0.399CS..  trans-119.4122.3176-174.50000107.4L310 L349 I358 F415L310-V417 HydrophobicContact CB-CB 4.39Å; L310-V417 HydrophobicContact CB-CG1 4.22Å; L310-V417 HydrophobicContact CB-CG2 4.08Å; L310-V417 HydrophobicContact CD1-CG2 4.12Å; L349-V417 HydrophobicContact CD1-CG1 3.54Å; I358-V417 HydrophobicContact CG2-CG2 4.39Å; F415-V417 HydrophobicContact CB-CG2 4.18Å; F415-V417 PolarHBondContact O-N 2.89Å
418D89.5Confident87.4Confident54 Ų5472.5 Ų72.529%0.28939%0.387SS..  trans-70.8160174.6-72.5-41000110.5R133 L310 G311 Y420 R421R133-D418 IonicContact NH1-OD1 3.83Å; R133-D418 PolarHBondContact NH1-OD1 2.8Å; L310-D418 PolarHBondContact O-N 3.33Å; G311-D418 VanDerWaalsContact O-CB 3.24Å; G311-D418 WeakPolarHBondContact O-CB 3.06Å; D418-Y420 VanDerWaalsContact C-N 3.34Å; D418-Y420 PolarHBondContact O-N 2.63Å; D418-R421 PolarHBondContact O-NH1 3.28Å
419D89.1Confident86.5Confident151 Ų15174.7 Ų74.781%0.80740%0.401SS*.SBendtrans-80.2-9.1-168.7-64.7-39.6000114.5R421D419-R421 PolarHBondContact O-N 3.37Å
420Y92.1Very high85.4Confident140 Ų14077.5 Ų77.555%0.54941%0.411SS..  trans-68.8131.2-177.2-60.9-84.9000110.9G311 D418G311-Y420 WeakPolarHBondContact O-CB 3.19Å; D418-Y420 VanDerWaalsContact C-N 3.34Å; D418-Y420 PolarHBondContact O-N 2.63Å
421R93.1Very high84.6Confident102 Ų10281.1 Ų81.139%0.38543%0.43SS..  trans-130.2149.9174.1-61.8-65.6179-81.8-4.9109.2L349 A350 I351 D418 D419L349-R421 VanDerWaalsContact O-CA 3.29Å; L349-R421 WeakPolarHBondContact O-CA 3.45Å; A350-R421 WeakPolarHBondContact O-CD 3.27Å; I351-R421 HydrophobicContact CB-CB 4.39Å; D418-R421 PolarHBondContact O-NH1 3.28Å; D419-R421 PolarHBondContact O-N 3.37Å
422Y89.3Confident83.7Confident39 Ų3976.8 Ų76.815%0.15342%0.421CS..BIsolated β-bridgetrans-114.2153.6172.773-92.6000111.3F331 I332 L348 L349 A350 I351 A424F331-Y422 WeakPolarHBondContact CA-OH 3.22Å; F331-Y422 PolarHBondContact N-OH 2.93Å; I332-Y422 HydrophobicContact CD1-CE1 4.07Å; I332-Y422 HydrophobicContact CD1-CE2 4.19Å; I332-Y422 HydrophobicContact CG1-CE1 4.2Å; L348-Y422 HydrophobicContact CB-CD1 3.88Å; L348-Y422 HydrophobicContact CB-CE1 3.96Å; L349-Y422 VanDerWaalsContact C-CD1 3.42Å; L349-Y422 WeakPolarHBondContact O-CD1 3.31Å; L349-Y422 PolarHBondContact O-N 2.76Å; A350-Y422 CarbonylContact C-O 3.51Å; A350-Y422 VanDerWaalsContact CA-O 3.31Å; A350-Y422 WeakPolarHBondContact CA-O 3.49Å; A350-Y422 HydrophobicContact CB-CE1 4.24Å; A350-Y422 HydrophobicContact CB-CE2 4.05Å; A350-Y422 VanDerWaalsContact N-CE1 3.32Å; I351-Y422 PolarHBondContact N-O 3.32Å; Y422-A424 HydrophobicContact CD2-CB 4.37Å; Y422-A424 HydrophobicContact CE2-CB 4.32Å
423S87Confident82.5Confident96 Ų9678.3 Ų78.367%0.67143%0.426SS*.  trans-118.5136159.455.30000107.3
424A79.5Confident81.1Confident87 Ų8780.3 Ų80.372%0.71944%0.435SS*.  trans-105.3124.4176.400000108.6Y422Y422-A424 HydrophobicContact CD2-CB 4.37Å; Y422-A424 HydrophobicContact CE2-CB 4.32Å
425V77.8Confident79.9Confident84 Ų8484.1 Ų84.151%0.50945%0.453SS..  trans-117.7138.4172.6-178.30000107.2L427 T429V425-L427 PolarHBondContact O-N 3.38Å; V425-T429 HydrophobicContact CG1-CG2 3.95Å
426P76.2Confident78.5Confident82 Ų8289.6 Ų89.653%0.53248%0.479SS..  trans-53.6135.7174.1-25.134.4000111.1S428 T429 F430P426-S428 PolarHBondContact O-N 3.38Å; P426-S428 VanDerWaalsContact O-N 3.09Å; P426-T429 WeakPolarHBondContact O-CB 3.47Å; P426-T429 PolarHBondContact O-N 3.09Å; P426-F430 PolarHBondContact O-N 2.97Å
427L76.2Confident77.1Confident137 Ų13795.7 Ų95.772%0.71751%0.507SS*.Hα-helixtrans-57.9-29.4-177.6-152.191.4000112.5V425 F430 L431V425-L427 PolarHBondContact O-N 3.38Å; L427-F430 PolarHBondContact O-N 3.09Å; L427-L431 PolarHBondContact O-N 3.4Å
428S79.6Confident75.4Confident74 Ų7498.8 Ų98.852%0.51753%0.529SS..Hα-helixtrans-60.5-42.8174.951.40000112.4P426 L431 D432P426-S428 PolarHBondContact O-N 3.38Å; P426-S428 VanDerWaalsContact O-N 3.09Å; S428-L431 PolarHBondContact O-N 3.07Å; S428-D432 PolarHBondContact O-N 3.32Å
429T75.2Confident73.9Confident56 Ų56100 Ų10034%0.34454%0.541SS..Hα-helixtrans-68.9-35.8-179.8-51.20000111.4V425 P426 D432 E433V425-T429 HydrophobicContact CG1-CG2 3.95Å; P426-T429 WeakPolarHBondContact O-CB 3.47Å; P426-T429 PolarHBondContact O-N 3.09Å; T429-D432 PolarHBondContact O-N 3.25Å; T429-E433 PolarHBondContact O-N 3.22Å
430F67.5Low72.3Confident99 Ų9998.6 Ų98.643%0.43453%0.534SS..Hα-helixtrans-66.2-37.9176.9-174.7-96.7000112.8P426 L427 D432 E433 Q434P426-F430 PolarHBondContact O-N 2.97Å; L427-F430 PolarHBondContact O-N 3.09Å; F430-D432 VanDerWaalsContact C-N 3.34Å; F430-E433 PolarHBondContact O-N 3.41Å; F430-Q434 HydrophobicContact CD1-CG 4.34Å; F430-Q434 HydrophobicContact CE1-CG 3.91Å; F430-Q434 VanDerWaalsContact CE1-NE2 3.33Å; F430-Q434 HydrophobicContact CZ-CG 4.14Å; F430-Q434 PolarHBondContact O-N 3.03Å
431L74.9Confident70.2Confident90 Ų9094.9 Ų94.947%0.47154%0.539SS..Hα-helixtrans-67.4-35.9175.8-70.6171.7000111.8L427 S428 N435L427-L431 PolarHBondContact O-N 3.4Å; S428-L431 PolarHBondContact O-N 3.07Å; L431-N435 WeakPolarHBondContact O-CB 3.41Å; L431-N435 PolarHBondContact O-N 2.98Å; L431-N435 VanDerWaalsContact O-N 3.07Å; L431-N435 PolarHBondContact O-ND2 3.05Å; L431-N435 VanDerWaalsContact O-ND2 3.09Å
432D70.8Confident68Low102 Ų10297.4 Ų97.455%0.54556%0.559SS.*Hα-helixtrans-67.4-42.9175.3-68.6-24.7000111.4S428 T429 F430 N435 E436S428-D432 PolarHBondContact O-N 3.32Å; T429-D432 PolarHBondContact O-N 3.25Å; F430-D432 VanDerWaalsContact C-N 3.34Å; D432-N435 PolarHBondContact O-N 3.27Å; D432-E436 PolarHBondContact O-N 3.08Å
433E64.6Low65.8Low106 Ų106100.2 Ų100.250%0.49559%0.585SS.*Hα-helixtrans-62.2-42.9175.2-76177.8174.900112.7T429 F430 N435 E436 E437T429-E433 PolarHBondContact O-N 3.22Å; F430-E433 PolarHBondContact O-N 3.41Å; E433-N435 VanDerWaalsContact C-N 3.34Å; E433-N435 PolarHBondContact O-N 2.93Å; E433-E436 PolarHBondContact O-N 3.27Å; E433-E437 PolarHBondContact O-N 3.35Å
434Q62.2Low63.4Low89 Ų89109.2 Ų109.242%0.41661%0.613SS.*Hα-helixtrans-65.8-36.4175.8-76.4-163.3-29.100112.7F430 C438F430-Q434 HydrophobicContact CD1-CG 4.34Å; F430-Q434 HydrophobicContact CE1-CG 3.91Å; F430-Q434 VanDerWaalsContact CE1-NE2 3.33Å; F430-Q434 HydrophobicContact CZ-CG 4.14Å; F430-Q434 PolarHBondContact O-N 3.03Å; Q434-C438 WeakPolarHBondContact O-CB 3.44Å; Q434-C438 PolarHBondContact O-N 3.47Å; Q434-C438 PolarHBondContact O-SG 3.11Å
435N64.6Low62.6Low110 Ų110110.4 Ų110.459%0.58861%0.607SS**Hα-helixtrans-67.4-38.7175.3-74.5-29.1000111.2L431 D432 E433 S439L431-N435 WeakPolarHBondContact O-CB 3.41Å; L431-N435 PolarHBondContact O-N 2.98Å; L431-N435 VanDerWaalsContact O-N 3.07Å; L431-N435 PolarHBondContact O-ND2 3.05Å; L431-N435 VanDerWaalsContact O-ND2 3.09Å; D432-N435 PolarHBondContact O-N 3.27Å; E433-N435 VanDerWaalsContact C-N 3.34Å; E433-N435 PolarHBondContact O-N 2.93Å; N435-S439 WeakPolarHBondContact O-CB 3.34Å; N435-S439 PolarHBondContact O-N 3.3Å; N435-S439 VanDerWaalsContact O-N 3.08Å; N435-S439 PolarHBondContact O-OG 3.28Å
436E62Low61.8Low129 Ų129111.7 Ų111.760%0.60361%0.612SS**Hα-helixtrans-67.2-44.8174.3-77.7-168.9168.200112.5D432 E433 C438 S439 N440D432-E436 PolarHBondContact O-N 3.08Å; E433-E436 PolarHBondContact O-N 3.27Å; E436-C438 PolarHBondContact O-N 3.37Å; E436-S439 WeakPolarHBondContact CA-OG 3.36Å; E436-S439 PolarHBondContact O-N 3.48Å; E436-S439 VanDerWaalsContact O-N 3.11Å; E436-S439 PolarHBondContact O-OG 3.48Å; E436-N440 PolarHBondContact O-N 2.9Å
437E57.4Low61Low151 Ų151113.4 Ų113.471%0.70662%0.617SS**Hα-helixtrans-62.7-40.9175.6-77.8-171.1161.700112.3E433 S439 N440 G441E433-E437 PolarHBondContact O-N 3.35Å; E437-S439 PolarHBondContact O-N 2.92Å; E437-N440 PolarHBondContact O-N 2.71Å; E437-G441 PolarHBondContact O-N 2.96Å
438C55.9Low60.1Low97 Ų97112 Ų11266%0.65561%0.611SS**Hα-helixtrans-64.6-30174-74.50000112.5Q434 E436Q434-C438 WeakPolarHBondContact O-CB 3.44Å; Q434-C438 PolarHBondContact O-N 3.47Å; Q434-C438 PolarHBondContact O-SG 3.11Å; E436-C438 PolarHBondContact O-N 3.37Å
439S57.1Low58.9Low78 Ų78114.4 Ų114.455%0.54562%0.617SS.*Hα-helixtrans-79.1-30.7177.267.50000113.6N435 E436 E437N435-S439 WeakPolarHBondContact O-CB 3.34Å; N435-S439 PolarHBondContact O-N 3.3Å; N435-S439 VanDerWaalsContact O-N 3.08Å; N435-S439 PolarHBondContact O-OG 3.28Å; E436-S439 WeakPolarHBondContact CA-OG 3.36Å; E436-S439 PolarHBondContact O-N 3.48Å; E436-S439 VanDerWaalsContact O-N 3.11Å; E436-S439 PolarHBondContact O-OG 3.48Å; E437-S439 PolarHBondContact O-N 2.92Å
440N55.3Low57.9Low122 Ų122118.3 Ų118.365%0.65264%0.635SS**Hα-helixtrans-91.3-16.3178.6-76-27.5000114.3E436 E437 N442E436-N440 PolarHBondContact O-N 2.9Å; E437-N440 PolarHBondContact O-N 2.71Å; N440-N442 PolarHBondContact O-N 3.19Å
441G48.2Very low57.2Low63 Ų63119.6 Ų119.665%0.64965%0.649SS**THydrogen-bonded Turntrans-71.2-1.2178.300000116E437E437-G441 PolarHBondContact O-N 2.96Å
442N47Very low55.8Low154 Ų154121.9 Ų121.982%0.82466%0.663SS**THydrogen-bonded Turntrans-100.517.2-179.1-86.4-19.8000114.6N440N440-N442 PolarHBondContact O-N 3.19Å
443S42.5Very low54.6Low98 Ų98123.6 Ų123.669%0.68567%0.673SS**  trans-112.576.9170.775.10000112.3
444F38Very low53.6Low286 Ų286125.2 Ų125.2100%1.25469%0.689SS**  trans-140.20152.2-102.8-74.1000110.2

Retrieved 444 of 444 residues in 131.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).