A0A093HUY2_STRCA Loading...

Dual specificity protein phosphatase 16

AlphaFold DB , UniProt , Accession A0A093HUY2, Species STRCA (Struthio camelus australis), Gene n/a, Length 664 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.2Very low64.3Low246 Ų246114.6 Ų114.6100%1.21258%0.579SS**  0134.10-62.8167.8-172.300105.7
2A35.9Very low66.9Low98 Ų98111.8 Ų111.881%0.8157%0.571SS**  trans-70.9135.9174.300000108.3E4A2-E4 PolarHBondContact O-N 2.89Å
3D41.3Very low69Low148 Ų148103.6 Ų103.679%0.79153%0.531SS*.  trans-75.3108.9170.3-158.929.7000106.2M5D3-M5 PolarHBondContact O-N 3.39Å
4E47Very low70.8Confident183 Ų183103.9 Ų103.986%0.85553%0.529SS*.  trans-69.884.7172.8-87.4-167.9122.500107.9A2 I6A2-E4 PolarHBondContact O-N 2.89Å; E4-I6 PolarHBondContact O-N 3.3Å
5M51.3Low72.4Confident148 Ų148103.1 Ų103.173%0.72952%0.521SS*.  trans-53.1111178.9-74.3-174.162.700109.3D3 R7D3-M5 PolarHBondContact O-N 3.39Å; M5-R7 VanDerWaalsContact C-N 3.28Å; M5-R7 PolarHBondContact O-N 3.26Å
6I55.3Low73.7Confident68 Ų6896.7 Ų96.735%0.34949%0.488SS..  trans-6790.5-177.4-58.6179.2000107.6E4 E113 S117E4-I6 PolarHBondContact O-N 3.3Å; I6-E113 VanDerWaalsContact O-CG 3.27Å; I6-E113 WeakPolarHBondContact O-CG 3.32Å; I6-S117 WeakPolarHBondContact CG2-O 3.45Å
7R77.2Confident74.9Confident181 Ų18191.6 Ų91.668%0.68346%0.463SS*.PPolyproline II helixtrans-72.5131.3-177.6-169.7177-170.2171.62.5109.3M5 Q9M5-R7 VanDerWaalsContact C-N 3.28Å; M5-R7 PolarHBondContact O-N 3.26Å; R7-Q9 PolarHBondContact O-N 3.17Å; R7-Q9 VanDerWaalsContact O-N 3.11Å
8T84.5Confident75.8Confident9 Ų989.4 Ų89.46%0.05546%0.461CS..PPolyproline II helixtrans-47.4119.5173.7-62.90000110.1V96 L109 E113 V119 L121T8-V96 HydrophobicContact CG2-CG2 3.8Å; T8-L109 HydrophobicContact CG2-CD1 4.07Å; T8-L109 HydrophobicContact CG2-CD2 3.77Å; T8-L109 HydrophobicContact CG2-CG 4.45Å; T8-E113 WeakPolarHBondContact CB-OE1 3.37Å; T8-E113 PolarHBondContact N-OE1 3.32Å; T8-E113 PolarHBondContact OG1-OE1 3.44Å; T8-V119 WeakPolarHBondContact CA-O 3.47Å; T8-V119 HydrophobicContact CG2-CG1 4.45Å; T8-L121 HydrophobicContact CG2-CB 3.82Å
9Q90.8Very high76.6Confident103 Ų10385.8 Ų85.848%0.48144%0.443SS..EExtended strand (participates in β ladder)trans-89.3161.4177.7-65.3175.329.800109.7R7 V119 Y120 L121R7-Q9 PolarHBondContact O-N 3.17Å; R7-Q9 VanDerWaalsContact O-N 3.11Å; Q9-V119 PolarHBondContact N-O 3.36Å; Q9-Y120 HydrophobicContact CB-CD1 3.57Å; Q9-Y120 HydrophobicContact CB-CE1 3.55Å; Q9-Y120 HydrophobicContact CG-CE1 4.28Å; Q9-Y120 CarbonylContact O-C 3.42Å; Q9-Y120 VanDerWaalsContact O-CA 3.24Å; Q9-Y120 WeakPolarHBondContact O-CA 3.35Å; Q9-Y120 VanDerWaalsContact OE1-CE1 3.32Å; Q9-L121 PolarHBondContact O-N 2.87Å
10L93.1Very high77.2Confident76 Ų7683 Ų8340%0.39843%0.428SS..EExtended strand (participates in β ladder)trans-88.4141169.3-70.1172.5000110.9D95 V96 L121L10-D95 HydrophobicContact CD1-CB 4.22Å; L10-V96 HydrophobicContact CD2-CG2 4.3Å; L10-L121 WeakPolarHBondContact CA-O 3.45Å; L10-L121 HydrophobicContact CD2-CB 4.09Å; L10-L121 HydrophobicContact CD2-CD2 4.21Å; L10-L121 HydrophobicContact CD2-CG 4.17Å
11I94.8Very high77.7Confident1 Ų186.5 Ų86.51%0.00544%0.443CS..EExtended strand (participates in β ladder)trans-119133.7167.3-169.1164.3000108.8K15 L16 L19 V87 Y120 L121 L122 S123I11-K15 HydrophobicContact CD1-CB 4.25Å; I11-K15 HydrophobicContact CD1-CD 4.19Å; I11-K15 HydrophobicContact CD1-CG 3.98Å; I11-K15 HydrophobicContact CG1-CB 3.83Å; I11-K15 HydrophobicContact CG1-CD 4.03Å; I11-K15 HydrophobicContact CG1-CG 3.98Å; I11-L16 HydrophobicContact CD1-CB 4.17Å; I11-L16 HydrophobicContact CG1-CB 4.41Å; I11-L19 HydrophobicContact CD1-CD1 3.58Å; I11-V87 HydrophobicContact CD1-CG2 4.23Å; I11-V87 HydrophobicContact CG2-CG1 3.8Å; I11-V87 HydrophobicContact CG2-CG2 4.46Å; I11-Y120 HydrophobicContact CB-CD1 4.17Å; I11-Y120 HydrophobicContact CB-CG 4.3Å; I11-L121 PolarHBondContact N-O 3.24Å; I11-L122 HydrophobicContact CG2-CB 4.3Å; I11-L122 HydrophobicContact CG2-CD1 4.17Å; I11-L122 WeakPolarHBondContact O-CA 3.46Å; I11-S123 PolarHBondContact O-N 3.05Å
12V95.4Very high79.9Confident80 Ų8079.2 Ų79.249%0.48542%0.416SS..  trans-87.3156.6171.8-630000109.9E14 K15 L16V12-E14 VanDerWaalsContact C-N 3.27Å; V12-E14 WeakPolarHBondContact CB-OE2 3.47Å; V12-E14 WeakPolarHBondContact CG2-OE2 3.49Å; V12-E14 PolarHBondContact O-N 3.44Å; V12-K15 HydrophobicContact CG2-CB 4.13Å; V12-K15 PolarHBondContact O-N 3.43Å; V12-L16 PolarHBondContact O-N 3.45Å; V12-L16 VanDerWaalsContact O-N 3.12Å
13A94.3Very high81.5Confident6 Ų676.2 Ų76.25%0.0540%0.395CS..Hα-helixtrans-56.5-40.2-172.100000112.8K15 L16 V17 F129 F133A13-K15 VanDerWaalsContact C-N 3.31Å; A13-K15 PolarHBondContact O-N 3.33Å; A13-L16 PolarHBondContact O-N 3.43Å; A13-L16 VanDerWaalsContact O-N 3.14Å; A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 2.73Å; A13-F129 HydrophobicContact CB-CB 4.46Å; A13-F129 HydrophobicContact CB-CD2 3.72Å; A13-F129 HydrophobicContact CB-CE2 4.45Å; A13-F129 HydrophobicContact CB-CG 4.49Å; A13-F133 HydrophobicContact CB-CD2 3.93Å; A13-F133 HydrophobicContact CB-CE2 3.64Å
14E94.4Very high82.6Confident108 Ų10872.5 Ų72.551%0.50538%0.378SS..Hα-helixtrans-60.2-39.5178.2-57.266.1-145.400111.8V12 V17 A18 F133V12-E14 VanDerWaalsContact C-N 3.27Å; V12-E14 WeakPolarHBondContact CB-OE2 3.47Å; V12-E14 WeakPolarHBondContact CG2-OE2 3.49Å; V12-E14 PolarHBondContact O-N 3.44Å; E14-V17 PolarHBondContact O-N 3.21Å; E14-A18 PolarHBondContact O-N 3.14Å; E14-A18 VanDerWaalsContact O-N 3.08Å; E14-F133 HydrophobicContact CG-CZ 4.18Å
15K93.7Very high83.7Confident92 Ų9272.5 Ų72.540%0.438%0.377SS..Hα-helixtrans-74.2-33.8177.9-174.2-176.2169.3-156.60111.2I11 V12 A13 V17 A18 L19I11-K15 HydrophobicContact CD1-CB 4.25Å; I11-K15 HydrophobicContact CD1-CD 4.19Å; I11-K15 HydrophobicContact CD1-CG 3.98Å; I11-K15 HydrophobicContact CG1-CB 3.83Å; I11-K15 HydrophobicContact CG1-CD 4.03Å; I11-K15 HydrophobicContact CG1-CG 3.98Å; V12-K15 HydrophobicContact CG2-CB 4.13Å; V12-K15 PolarHBondContact O-N 3.43Å; A13-K15 VanDerWaalsContact C-N 3.31Å; A13-K15 PolarHBondContact O-N 3.33Å; K15-V17 VanDerWaalsContact C-N 3.35Å; K15-A18 PolarHBondContact O-N 3.46Å; K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 3.05Å; K15-L19 VanDerWaalsContact O-N 3.1Å
16L94.4Very high85.1Confident0 Ų072.8 Ų72.80%038%0.375CS..Hα-helixtrans-64.6-39.6171.517457.6000111.3I11 V12 A13 L19 L20 L27 L29 I43 V87 L122 F129I11-L16 HydrophobicContact CD1-CB 4.17Å; I11-L16 HydrophobicContact CG1-CB 4.41Å; V12-L16 PolarHBondContact O-N 3.45Å; V12-L16 VanDerWaalsContact O-N 3.12Å; A13-L16 PolarHBondContact O-N 3.43Å; A13-L16 VanDerWaalsContact O-N 3.14Å; L16-L19 PolarHBondContact O-N 2.95Å; L16-L20 HydrophobicContact CD1-CD1 4.27Å; L16-L20 HydrophobicContact CD1-CG 4.27Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 WeakPolarHBondContact O-CG 3.11Å; L16-L20 PolarHBondContact O-N 2.93Å; L16-L27 HydrophobicContact CD1-CD1 4.46Å; L16-L27 HydrophobicContact CD1-CD2 4.12Å; L16-L29 HydrophobicContact CD1-CD1 4.19Å; L16-L29 HydrophobicContact CD2-CD1 4.18Å; L16-I43 HydrophobicContact CD2-CD1 3.92Å; L16-V87 HydrophobicContact CD1-CB 4.31Å; L16-V87 HydrophobicContact CD1-CG1 4.12Å; L16-V87 HydrophobicContact CD1-CG2 4.15Å; L16-V87 HydrophobicContact CD2-CG1 4.19Å; L16-L122 HydrophobicContact CB-CD1 4.26Å; L16-L122 HydrophobicContact CD2-CD1 3.86Å; L16-L122 HydrophobicContact CD2-CD2 3.73Å; L16-L122 HydrophobicContact CD2-CG 4.37Å; L16-F129 HydrophobicContact CB-CE2 4.2Å; L16-F129 HydrophobicContact CD2-CD2 3.89Å; L16-F129 HydrophobicContact CD2-CE2 3.67Å; L16-F129 HydrophobicContact CD2-CZ 4.42Å; L16-F129 HydrophobicContact CG-CE2 3.89Å
17V93.4Very high86.8Confident11 Ų1170.5 Ų70.57%0.06736%0.363CS..Hα-helixtrans-60.5-46.3173.31750000111.3A13 E14 K15 L19 L20 E21 F129 F133 L136A13-V17 WeakPolarHBondContact O-CG2 3.42Å; A13-V17 PolarHBondContact O-N 2.73Å; E14-V17 PolarHBondContact O-N 3.21Å; K15-V17 VanDerWaalsContact C-N 3.35Å; V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 3.14Å; V17-L20 WeakPolarHBondContact O-CB 3.33Å; V17-L20 PolarHBondContact O-N 3.04Å; V17-L20 VanDerWaalsContact O-N 3.11Å; V17-E21 HydrophobicContact CG1-CG 4.19Å; V17-E21 WeakPolarHBondContact O-CG 3.42Å; V17-E21 PolarHBondContact O-N 3.06Å; V17-F129 HydrophobicContact CG2-CE2 3.82Å; V17-F129 HydrophobicContact CG2-CZ 3.98Å; V17-F133 HydrophobicContact CG2-CB 4.3Å; V17-F133 HydrophobicContact CG2-CD1 3.7Å; V17-F133 HydrophobicContact CG2-CD2 3.74Å; V17-F133 HydrophobicContact CG2-CE1 3.9Å; V17-F133 HydrophobicContact CG2-CE2 3.95Å; V17-F133 HydrophobicContact CG2-CG 3.62Å; V17-F133 HydrophobicContact CG2-CZ 4.02Å; V17-L136 HydrophobicContact CB-CD1 4.24Å; V17-L136 HydrophobicContact CG1-CD1 3.77Å; V17-L136 HydrophobicContact CG2-CD1 3.6Å
18A91.8Very high87.5Confident52 Ų5262.2 Ų62.243%0.4333%0.332SS..Hα-helixtrans-59.6-33.6176.100000113.4E14 K15 S22E14-A18 PolarHBondContact O-N 3.14Å; E14-A18 VanDerWaalsContact O-N 3.08Å; K15-A18 PolarHBondContact O-N 3.46Å; A18-S22 WeakPolarHBondContact O-CB 3.45Å; A18-S22 PolarHBondContact O-N 3.43Å; A18-S22 VanDerWaalsContact O-N 3.14Å
19L90.3Very high88Confident21 Ų2162.2 Ų62.211%0.1133%0.332CS..Hα-helixtrans-69.2-45.6172.4-68.3179.3000111.9I11 K15 L16 V17 E21 S22 G23 L27 E85 V87I11-L19 HydrophobicContact CD1-CD1 3.58Å; K15-L19 WeakPolarHBondContact O-CG 3.38Å; K15-L19 PolarHBondContact O-N 3.05Å; K15-L19 VanDerWaalsContact O-N 3.1Å; L16-L19 PolarHBondContact O-N 2.95Å; V17-L19 VanDerWaalsContact C-N 3.26Å; V17-L19 PolarHBondContact O-N 3.14Å; L19-E21 PolarHBondContact O-N 2.86Å; L19-S22 PolarHBondContact O-N 3.05Å; L19-S22 VanDerWaalsContact O-N 3.14Å; L19-S22 PolarHBondContact O-OG 2.8Å; L19-G23 PolarHBondContact O-N 2.99Å; L19-L27 HydrophobicContact CB-CD1 4.46Å; L19-L27 HydrophobicContact CB-CD2 4.12Å; L19-L27 HydrophobicContact CD1-CD1 4.21Å; L19-E85 WeakPolarHBondContact CD2-OE2 3.27Å; L19-V87 HydrophobicContact CD1-CG2 4.44Å
20L89.6Confident88.2Confident28 Ų2857.3 Ų57.315%0.14731%0.309CS..Hα-helixtrans-58.8-44.6176.5-72.8162.9000111.7L16 V17 S22 G23 T24 L27 L29 I43 F129L16-L20 HydrophobicContact CD1-CD1 4.27Å; L16-L20 HydrophobicContact CD1-CG 4.27Å; L16-L20 HydrophobicContact CG-CD1 4.09Å; L16-L20 WeakPolarHBondContact O-CG 3.11Å; L16-L20 PolarHBondContact O-N 2.93Å; V17-L20 WeakPolarHBondContact O-CB 3.33Å; V17-L20 PolarHBondContact O-N 3.04Å; V17-L20 VanDerWaalsContact O-N 3.11Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 3.23Å; L20-G23 PolarHBondContact O-N 3.37Å; L20-T24 HydrophobicContact CD2-CG2 4.27Å; L20-L27 HydrophobicContact CD2-CD2 3.65Å; L20-L27 HydrophobicContact CG-CD2 3.87Å; L20-L29 HydrophobicContact CD2-CD2 4.41Å; L20-I43 HydrophobicContact CD1-CG2 4.24Å; L20-F129 HydrophobicContact CD1-CZ 4.14Å
21E87Confident88.4Confident157 Ų15753.7 Ų53.773%0.73429%0.29SS*.Hα-helixtrans-66.3-28.5176.3-70.5-179.3163.200113V17 L19 G23V17-E21 HydrophobicContact CG1-CG 4.19Å; V17-E21 WeakPolarHBondContact O-CG 3.42Å; V17-E21 PolarHBondContact O-N 3.06Å; L19-E21 PolarHBondContact O-N 2.86Å; E21-G23 VanDerWaalsContact C-N 3.28Å; E21-G23 PolarHBondContact O-N 3.24Å
22S82.6Confident88.4Confident94 Ų9454 Ų5466%0.65729%0.293SS*.Hα-helixtrans-75.3-12.917878.80000114.7A18 L19 L20A18-S22 WeakPolarHBondContact O-CB 3.45Å; A18-S22 PolarHBondContact O-N 3.43Å; A18-S22 VanDerWaalsContact O-N 3.14Å; L19-S22 PolarHBondContact O-N 3.05Å; L19-S22 VanDerWaalsContact O-N 3.14Å; L19-S22 PolarHBondContact O-OG 2.8Å; L20-S22 VanDerWaalsContact C-N 3.29Å; L20-S22 PolarHBondContact O-N 3.23Å
23G69Low88.3Confident35 Ų3550.6 Ų50.636%0.36127%0.271SS..  trans115.3129.1176.400000113.6L19 L20 E21 E25L19-G23 PolarHBondContact O-N 2.99Å; L20-G23 PolarHBondContact O-N 3.37Å; E21-G23 VanDerWaalsContact C-N 3.28Å; E21-G23 PolarHBondContact O-N 3.24Å; G23-E25 VanDerWaalsContact C-N 3.3Å; G23-E25 PolarHBondContact O-N 3.08Å
24T65Low88.1Confident70 Ų7053.2 Ų53.243%0.42929%0.288SS..G310 helixtrans-72.5-11.7-172.148.60000115.3L20 K26 L27L20-T24 HydrophobicContact CD2-CG2 4.27Å; T24-K26 PolarHBondContact O-N 3.5Å; T24-L27 PolarHBondContact O-N 2.98Å
25E70.4Confident87.8Confident182 Ų18254 Ų5485%0.8529%0.289SS*.G310 helixtrans-58-18.2-176.9-61.6-174162.200114.8G23G23-E25 VanDerWaalsContact C-N 3.3Å; G23-E25 PolarHBondContact O-N 3.08Å
26K79.7Confident87.5Confident154 Ų15454.8 Ų54.867%0.6730%0.302SS*.G310 helixtrans-114.3-5.9179.1-64.4176.6-175.8168.40114.4T24 Q84 E85T24-K26 PolarHBondContact O-N 3.5Å; K26-Q84 WeakPolarHBondContact O-CA 3.4Å; K26-Q84 WeakPolarHBondContact O-CB 3.48Å; K26-E85 PolarHBondContact O-N 3.39Å
27L90.4Very high87.3Confident21 Ų2158.2 Ų58.211%0.1132%0.318CS..EExtended strand (participates in β ladder)trans-107.2114.8-171.9176.764.3000110.2L16 L19 L20 T24 E85 V87L16-L27 HydrophobicContact CD1-CD1 4.46Å; L16-L27 HydrophobicContact CD1-CD2 4.12Å; L19-L27 HydrophobicContact CB-CD1 4.46Å; L19-L27 HydrophobicContact CB-CD2 4.12Å; L19-L27 HydrophobicContact CD1-CD1 4.21Å; L20-L27 HydrophobicContact CD2-CD2 3.65Å; L20-L27 HydrophobicContact CG-CD2 3.87Å; T24-L27 PolarHBondContact O-N 2.98Å; L27-E85 WeakPolarHBondContact CA-O 3.42Å; L27-V87 HydrophobicContact CD1-CB 4.29Å; L27-V87 HydrophobicContact CD1-CG2 3.64Å
28L92.8Very high87.3Confident7 Ų758.8 Ų58.84%0.03732%0.319CS..EExtended strand (participates in β ladder)trans-98.295.8172.9-173.769.4000109.6I30 I47 I70 E85 V86 V87 F116L28-I30 HydrophobicContact CD2-CD1 4.13Å; L28-I30 HydrophobicContact CG-CD1 4.3Å; L28-I30 HydrophobicContact CG-CG1 4.26Å; L28-I47 HydrophobicContact CD1-CD1 3.65Å; L28-I70 HydrophobicContact CD1-CG2 4.02Å; L28-I70 HydrophobicContact CD2-CD1 3.86Å; L28-I70 HydrophobicContact CD2-CG1 4.47Å; L28-I70 HydrophobicContact CD2-CG2 4.21Å; L28-E85 PolarHBondContact N-O 2.96Å; L28-V86 HydrophobicContact CB-CG1 4.44Å; L28-V86 HydrophobicContact CB-CG2 4.22Å; L28-V86 HydrophobicContact CD2-CG1 4.25Å; L28-V86 HydrophobicContact CD2-CG2 4.1Å; L28-V86 HydrophobicContact CG-CG1 4.5Å; L28-V86 WeakPolarHBondContact O-CA 3.41Å; L28-V87 PolarHBondContact O-N 2.87Å; L28-F116 HydrophobicContact CD2-CE1 3.98Å; L28-F116 HydrophobicContact CD2-CE2 4.38Å; L28-F116 HydrophobicContact CD2-CZ 3.64Å
29L94.9Very high87.2Confident8 Ų860.7 Ų60.74%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-89.6125.7-179.3-172.758.8000111.2L16 L20 I43 A46 I47 V87 Y89L16-L29 HydrophobicContact CD1-CD1 4.19Å; L16-L29 HydrophobicContact CD2-CD1 4.18Å; L20-L29 HydrophobicContact CD2-CD2 4.41Å; L29-I43 HydrophobicContact CD2-CB 3.83Å; L29-I43 HydrophobicContact CD2-CG2 3.52Å; L29-A46 HydrophobicContact CB-CB 4.48Å; L29-A46 HydrophobicContact CD2-CB 4Å; L29-A46 HydrophobicContact CG-CB 3.85Å; L29-A46 WeakPolarHBondContact O-CA 3.06Å; L29-I47 PolarHBondContact O-N 3.35Å; L29-V87 WeakPolarHBondContact CA-O 3.42Å; L29-V87 HydrophobicContact CD1-CB 3.85Å; L29-V87 HydrophobicContact CD1-CG1 3.87Å; L29-Y89 HydrophobicContact CD1-CD1 3.83Å; L29-Y89 HydrophobicContact CD1-CE1 3.87Å; L29-Y89 HydrophobicContact CD2-CE1 4.46Å; L29-Y89 HydrophobicContact CG-CD1 4.45Å; L29-Y89 HydrophobicContact CG-CE1 3.99Å
30I96Very high87.1Confident0 Ų064.4 Ų64.40%035%0.345CS..EExtended strand (participates in β ladder)trans-123.8120.8-172.2-63.5176.9000110.5L28 I47 I49 I70 V86 V87 V88 Y89 L108 L112L28-I30 HydrophobicContact CD2-CD1 4.13Å; L28-I30 HydrophobicContact CG-CD1 4.3Å; L28-I30 HydrophobicContact CG-CG1 4.26Å; I30-I47 WeakPolarHBondContact CA-O 3.49Å; I30-I49 HydrophobicContact CD1-CD1 3.96Å; I30-I49 HydrophobicContact CG1-CD1 4.31Å; I30-I49 HydrophobicContact CG2-CB 4.26Å; I30-I49 HydrophobicContact CG2-CD1 3.68Å; I30-I49 HydrophobicContact CG2-CG1 3.86Å; I30-I70 HydrophobicContact CD1-CG1 4.49Å; I30-V86 HydrophobicContact CD1-CG1 3.6Å; I30-V86 HydrophobicContact CG1-CG1 4.32Å; I30-V87 PolarHBondContact N-O 3.11Å; I30-V88 HydrophobicContact CB-CG1 4.43Å; I30-V88 HydrophobicContact CB-CG2 4.27Å; I30-V88 HydrophobicContact CD1-CG2 4.48Å; I30-V88 HydrophobicContact CG2-CG1 4.17Å; I30-V88 WeakPolarHBondContact O-CA 3.48Å; I30-Y89 WeakPolarHBondContact O-CD1 3.4Å; I30-Y89 PolarHBondContact O-N 2.96Å; I30-L108 HydrophobicContact CG2-CD2 4.16Å; I30-L112 HydrophobicContact CD1-CD1 3.95Å; I30-L112 HydrophobicContact CD1-CD2 3.97Å
31D96.1Very high87.3Confident0 Ų064 Ų640%035%0.345CS..EExtended strand (participates in β ladder)trans-88.6114.4169.8-173.6-52.9000109.5R33 Y38 A46 I47 N48 I49 Y89D31-R33 WeakPolarHBondContact OD1-CA 3.49Å; D31-R33 WeakPolarHBondContact OD1-CB 3.37Å; D31-R33 PolarHBondContact OD1-N 3.22Å; D31-R33 IonicContact OD1-NE 3.17Å; D31-R33 PolarHBondContact OD1-NE 3.43Å; D31-R33 IonicContact OD2-CZ 3.91Å; D31-R33 VanDerWaalsContact OD2-CZ 3.29Å; D31-R33 IonicContact OD2-NE 2.69Å; D31-R33 PolarHBondContact OD2-NE 2.68Å; D31-R33 IonicContact OD2-NH2 3.64Å; D31-R33 PolarHBondContact OD2-NH2 2.97Å; D31-Y38 HydrophobicContact CB-CD2 3.75Å; D31-Y38 HydrophobicContact CB-CE2 4.28Å; D31-A46 HydrophobicContact CB-CB 4.34Å; D31-I47 PolarHBondContact N-O 3.26Å; D31-N48 WeakPolarHBondContact O-CA 3.39Å; D31-N48 PolarHBondContact O-ND2 2.83Å; D31-N48 PolarHBondContact OD1-ND2 3.1Å; D31-I49 PolarHBondContact O-N 3.28Å; D31-Y89 HydrophobicContact CB-CE1 4.12Å; D31-Y89 HydrophobicContact CB-CE2 4Å; D31-Y89 WeakPolarHBondContact OD2-CE2 3.29Å; D31-Y89 PolarHBondContact OD2-OH 3Å; D31-Y89 VanDerWaalsContact OD2-OH 3.09Å
32S94.8Very high87.6Confident9 Ų957.1 Ų57.16%0.06331%0.313CS..  trans-105.446.6175.276.80000112.1C51 Y89S32-C51 PolarHBondContact O-SG 3.16Å; S32-Y89 PolarHBondContact N-O 3.34Å; S32-Y89 PolarHBondContact OG-O 3.38Å; S32-Y89 VanDerWaalsContact OG-O 3.14Å
33R93.1Very high88.2Confident7 Ų752.6 Ų52.63%0.02628%0.282CS..SBendtrans-111.3164.4169.7-57.3178.5-64.5154.31.7111.4D31 E37 S41 N48 Q91 F126D31-R33 WeakPolarHBondContact OD1-CA 3.49Å; D31-R33 WeakPolarHBondContact OD1-CB 3.37Å; D31-R33 PolarHBondContact OD1-N 3.22Å; D31-R33 IonicContact OD1-NE 3.17Å; D31-R33 PolarHBondContact OD1-NE 3.43Å; D31-R33 IonicContact OD2-CZ 3.91Å; D31-R33 VanDerWaalsContact OD2-CZ 3.29Å; D31-R33 IonicContact OD2-NE 2.69Å; D31-R33 PolarHBondContact OD2-NE 2.68Å; D31-R33 IonicContact OD2-NH2 3.64Å; D31-R33 PolarHBondContact OD2-NH2 2.97Å; R33-E37 HydrophobicContact CB-CB 4.2Å; R33-S41 PolarHBondContact NH2-O 2.83Å; R33-N48 PolarHBondContact O-ND2 3Å; R33-Q91 HydrophobicContact CG-CB 4.36Å; R33-F126 VanDerWaalsContact NH1-CG 3.34Å
34P90.3Very high89.3Confident62 Ų6254 Ų5440%0.40328%0.28SS..  trans-52.8141.7171.2-27.536.5000112.4V36 E37 Y38P34-V36 PolarHBondContact O-N 2.87Å; P34-E37 WeakPolarHBondContact CD-OE1 3.48Å; P34-E37 WeakPolarHBondContact CG-OE1 3.46Å; P34-E37 PolarHBondContact O-N 2.96Å; P34-Y38 PolarHBondContact O-N 2.86Å
35F87.6Confident90.4Very high123 Ų12355.7 Ų55.754%0.53929%0.287SS..Hα-helixtrans-48.9-32.3-179.8179.6-101.1000113.9N39F35-N39 VanDerWaalsContact CD2-ND2 3.33Å; F35-N39 WeakPolarHBondContact CD2-ND2 3.48Å; F35-N39 WeakPolarHBondContact CE1-ND2 3.35Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.24Å; F35-N39 WeakPolarHBondContact CG-ND2 3.5Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.34Å; F35-N39 WeakPolarHBondContact O-CB 3.38Å; F35-N39 PolarHBondContact O-N 2.96Å; F35-N39 VanDerWaalsContact O-N 3.09Å; F35-N39 PolarHBondContact O-ND2 3.41Å
36V88.8Confident91.5Very high109 Ų10947 Ų4766%0.66125%0.247SC*.Hα-helixtrans-68.3-38.2178-177.90000112.4P34 T40P34-V36 PolarHBondContact O-N 2.87Å; V36-T40 PolarHBondContact O-N 3.41Å; V36-T40 PolarHBondContact O-OG1 3.16Å
37E90.5Very high92.2Very high73 Ų7340.3 Ų40.334%0.34122%0.218SC..Hα-helixtrans-71.6-47.6179.1-70.7166.7-136.100110.5R33 P34 N39 T40 S41R33-E37 HydrophobicContact CB-CB 4.2Å; P34-E37 WeakPolarHBondContact CD-OE1 3.48Å; P34-E37 WeakPolarHBondContact CG-OE1 3.46Å; P34-E37 PolarHBondContact O-N 2.96Å; E37-N39 PolarHBondContact O-N 2.87Å; E37-T40 WeakPolarHBondContact O-CA 3.37Å; E37-T40 WeakPolarHBondContact O-CB 3.4Å; E37-T40 PolarHBondContact O-N 2.97Å; E37-S41 PolarHBondContact O-N 2.97Å; E37-S41 VanDerWaalsContact O-N 3.12Å
38Y91.9Very high92.4Very high22 Ų2240 Ų409%0.08622%0.216CC..Hα-helixtrans-53.6-50.6173.8169.5-95.4000112.5D31 P34 T40 S41 H42 A46 N48D31-Y38 HydrophobicContact CB-CD2 3.75Å; D31-Y38 HydrophobicContact CB-CE2 4.28Å; P34-Y38 PolarHBondContact O-N 2.86Å; Y38-T40 PolarHBondContact O-N 2.89Å; Y38-T40 VanDerWaalsContact O-N 3.16Å; Y38-S41 CarbonylContact O-C 3.54Å; Y38-S41 PolarHBondContact O-N 2.96Å; Y38-H42 HydrophobicContact CD2-CB 3.41Å; Y38-H42 VanDerWaalsContact CD2-CB 3.41Å; Y38-H42 AromaticContact CD2-CD2 3.89Å; Y38-H42 AromaticContact CD2-CG 3.48Å; Y38-H42 VanDerWaalsContact CD2-CG 3.48Å; Y38-H42 AromaticContact CD2-ND1 3.81Å; Y38-H42 HydrophobicContact CE2-CB 3.76Å; Y38-H42 AromaticContact CE2-CD2 3.26Å; Y38-H42 WeakPolarHBondContact CE2-CD2 3.44Å; Y38-H42 AromaticContact CE2-CE1 3.91Å; Y38-H42 AromaticContact CE2-CG 3.37Å; Y38-H42 AromaticContact CE2-ND1 3.76Å; Y38-H42 AromaticContact CE2-NE2 3.62Å; Y38-H42 HydrophobicContact CG-CB 4.25Å; Y38-H42 AromaticContact CZ-CD2 3.72Å; Y38-H42 AromaticContact CZ-CE1 3.74Å; Y38-H42 AromaticContact CZ-ND1 3.99Å; Y38-H42 AromaticContact CZ-NE2 3.53Å; Y38-H42 PolarHBondContact O-ND1 3.07Å; Y38-H42 PolarHBondContact OH-NE2 2.99Å; Y38-A46 WeakPolarHBondContact CE2-O 3.42Å; Y38-A46 PolarHBondContact OH-O 2.9Å; Y38-N48 HydrophobicContact CD1-CB 3.71Å; Y38-N48 HydrophobicContact CD2-CB 3.63Å; Y38-N48 HydrophobicContact CE1-CB 3.88Å; Y38-N48 HydrophobicContact CE2-CB 3.77Å; Y38-N48 HydrophobicContact CG-CB 3.57Å
39N89.6Confident92.4Very high92 Ų9239.7 Ų39.749%0.49222%0.215SC..THydrogen-bonded Turntrans-69.7-9178-76-83.4000114F35 E37F35-N39 VanDerWaalsContact CD2-ND2 3.33Å; F35-N39 WeakPolarHBondContact CD2-ND2 3.48Å; F35-N39 WeakPolarHBondContact CE1-ND2 3.35Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.24Å; F35-N39 WeakPolarHBondContact CG-ND2 3.5Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.34Å; F35-N39 WeakPolarHBondContact O-CB 3.38Å; F35-N39 PolarHBondContact O-N 2.96Å; F35-N39 VanDerWaalsContact O-N 3.09Å; F35-N39 PolarHBondContact O-ND2 3.41Å; E37-N39 PolarHBondContact O-N 2.87Å
40T88.9Confident91.7Very high99 Ų9942.7 Ų42.761%0.60723%0.231SC*.THydrogen-bonded Turntrans-85.4-48.5173.2-59.40000110.6V36 E37 Y38V36-T40 PolarHBondContact O-N 3.41Å; V36-T40 PolarHBondContact O-OG1 3.16Å; E37-T40 WeakPolarHBondContact O-CA 3.37Å; E37-T40 WeakPolarHBondContact O-CB 3.4Å; E37-T40 PolarHBondContact O-N 2.97Å; Y38-T40 PolarHBondContact O-N 2.89Å; Y38-T40 VanDerWaalsContact O-N 3.16Å
41S93Very high90.8Very high21 Ų2144.1 Ų44.115%0.14724%0.241CC..EExtended strand (participates in β ladder)trans-166.6138.5168.3-165.80000109.7R33 E37 Y38 F126 E138R33-S41 PolarHBondContact NH2-O 2.83Å; E37-S41 PolarHBondContact O-N 2.97Å; E37-S41 VanDerWaalsContact O-N 3.12Å; Y38-S41 CarbonylContact O-C 3.54Å; Y38-S41 PolarHBondContact O-N 2.96Å; S41-F126 WeakPolarHBondContact O-CZ 3.43Å; S41-E138 WeakPolarHBondContact CA-O 3.45Å
42H94.9Very high90.3Very high11 Ų1146.2 Ų46.25%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-137.7168.1176.952.1-79.5000110.5Y38 F126 C137 E138Y38-H42 HydrophobicContact CD2-CB 3.41Å; Y38-H42 VanDerWaalsContact CD2-CB 3.41Å; Y38-H42 AromaticContact CD2-CD2 3.89Å; Y38-H42 AromaticContact CD2-CG 3.48Å; Y38-H42 VanDerWaalsContact CD2-CG 3.48Å; Y38-H42 AromaticContact CD2-ND1 3.81Å; Y38-H42 HydrophobicContact CE2-CB 3.76Å; Y38-H42 AromaticContact CE2-CD2 3.26Å; Y38-H42 WeakPolarHBondContact CE2-CD2 3.44Å; Y38-H42 AromaticContact CE2-CE1 3.91Å; Y38-H42 AromaticContact CE2-CG 3.37Å; Y38-H42 AromaticContact CE2-ND1 3.76Å; Y38-H42 AromaticContact CE2-NE2 3.62Å; Y38-H42 HydrophobicContact CG-CB 4.25Å; Y38-H42 AromaticContact CZ-CD2 3.72Å; Y38-H42 AromaticContact CZ-CE1 3.74Å; Y38-H42 AromaticContact CZ-ND1 3.99Å; Y38-H42 AromaticContact CZ-NE2 3.53Å; Y38-H42 PolarHBondContact O-ND1 3.07Å; Y38-H42 PolarHBondContact OH-NE2 2.99Å; H42-F126 VanDerWaalsContact C-CE2 3.49Å; H42-C137 CarbonylContact O-C 3.57Å; H42-C137 VanDerWaalsContact O-C 3.27Å; H42-C137 WeakPolarHBondContact O-CA 3.31Å; H42-C137 VanDerWaalsContact O-CB 3.24Å; H42-C137 WeakPolarHBondContact O-CB 3.44Å; H42-E138 IonicContact CE1-OE1 3.67Å; H42-E138 PolarHBondContact N-O 3.2Å; H42-E138 PolarHBondContact ND1-O 3.34Å; H42-E138 IonicContact NE2-OE1 3.53Å; H42-E138 IonicContact NE2-OE2 3.19Å; H42-E138 PolarHBondContact NE2-OE2 3.4Å; H42-E138 PolarHBondContact O-N 3.25Å
43I94.9Very high89.9Confident0 Ų050.8 Ų50.80%027%0.274CS..EExtended strand (participates in β ladder)trans-68144170.9-51.9179.8000108.6L16 L20 L29 A46 Y89 L122 F126 F129 L136L16-I43 HydrophobicContact CD2-CD1 3.92Å; L20-I43 HydrophobicContact CD1-CG2 4.24Å; L29-I43 HydrophobicContact CD2-CB 3.83Å; L29-I43 HydrophobicContact CD2-CG2 3.52Å; I43-A46 HydrophobicContact CB-CB 4.49Å; I43-A46 WeakPolarHBondContact O-CB 3.24Å; I43-A46 PolarHBondContact O-N 3.34Å; I43-Y89 HydrophobicContact CB-CE1 4.08Å; I43-Y89 HydrophobicContact CD1-CD1 3.85Å; I43-Y89 HydrophobicContact CD1-CD2 4.43Å; I43-Y89 HydrophobicContact CD1-CE1 3.68Å; I43-Y89 HydrophobicContact CD1-CE2 4.27Å; I43-Y89 HydrophobicContact CD1-CG 4.22Å; I43-Y89 HydrophobicContact CG1-CE1 3.89Å; I43-Y89 HydrophobicContact CG1-CE2 4.16Å; I43-Y89 PolarHBondContact N-OH 2.86Å; I43-L122 HydrophobicContact CD1-CD2 3.71Å; I43-F126 HydrophobicContact CG1-CD2 3.95Å; I43-F126 HydrophobicContact CG1-CE2 4.16Å; I43-F129 HydrophobicContact CB-CE1 4.33Å; I43-F129 HydrophobicContact CD1-CB 4.2Å; I43-F129 HydrophobicContact CD1-CD1 3.53Å; I43-F129 HydrophobicContact CD1-CD2 4.05Å; I43-F129 HydrophobicContact CD1-CE1 3.86Å; I43-F129 HydrophobicContact CD1-CE2 4.35Å; I43-F129 HydrophobicContact CD1-CG 3.64Å; I43-F129 HydrophobicContact CD1-CZ 4.26Å; I43-F129 HydrophobicContact CG1-CD1 3.63Å; I43-F129 HydrophobicContact CG1-CE1 3.83Å; I43-F129 HydrophobicContact CG1-CG 4.25Å; I43-F129 HydrophobicContact CG2-CD1 4.34Å; I43-F129 HydrophobicContact CG2-CE1 3.65Å; I43-F129 HydrophobicContact CG2-CZ 3.91Å; I43-L136 WeakPolarHBondContact CG2-O 3.18Å
44L91.4Very high89.7Confident63 Ų6355.3 Ų55.333%0.3330%0.298SS..THydrogen-bonded Turntrans-49.4139.8179.1-72.7167.8000112A46 L136 E138L44-A46 PolarHBondContact O-N 3.47Å; L44-L136 HydrophobicContact CD1-CB 4.46Å; L44-L136 HydrophobicContact CD1-CD2 4.07Å; L44-L136 PolarHBondContact N-O 3.14Å; L44-E138 HydrophobicContact CD2-CB 4.06Å
45D88.6Confident89.7Confident106 Ų10654.1 Ų54.157%0.56729%0.287SS*.THydrogen-bonded Turntrans56.56.7-178.8-63.4-40.6000116.8
46A94.1Very high89.8Confident1 Ų149.6 Ų49.61%0.00827%0.268CS..PPolyproline II helixtrans-64.8141.6177.700000112.8L29 D31 Y38 I43 L44 Y89L29-A46 HydrophobicContact CB-CB 4.48Å; L29-A46 HydrophobicContact CD2-CB 4Å; L29-A46 HydrophobicContact CG-CB 3.85Å; L29-A46 WeakPolarHBondContact O-CA 3.06Å; D31-A46 HydrophobicContact CB-CB 4.34Å; Y38-A46 WeakPolarHBondContact CE2-O 3.42Å; Y38-A46 PolarHBondContact OH-O 2.9Å; I43-A46 HydrophobicContact CB-CB 4.49Å; I43-A46 WeakPolarHBondContact O-CB 3.24Å; I43-A46 PolarHBondContact O-N 3.34Å; L44-A46 PolarHBondContact O-N 3.47Å; A46-Y89 HydrophobicContact CB-CE1 3.84Å; A46-Y89 VanDerWaalsContact CB-OH 3.23Å; A46-Y89 WeakPolarHBondContact CB-OH 3.38Å
47I94.6Very high89.9Confident13 Ų1352 Ų527%0.06727%0.265CS..EExtended strand (participates in β ladder)trans-99.1119.3179-57172.1000109.5L28 L29 I30 D31 I49 I70 S73 A74 I78L28-I47 HydrophobicContact CD1-CD1 3.65Å; L29-I47 PolarHBondContact O-N 3.35Å; I30-I47 WeakPolarHBondContact CA-O 3.49Å; D31-I47 PolarHBondContact N-O 3.26Å; I47-I49 PolarHBondContact O-N 3.05Å; I47-I70 HydrophobicContact CD1-CG2 4.17Å; I47-S73 VanDerWaalsContact CG2-CB 3.46Å; I47-A74 HydrophobicContact CD1-CB 4.26Å; I47-I78 HydrophobicContact CD1-CD1 3.5Å
48N94.1Very high89.9Confident14 Ų1452.9 Ų52.98%0.07527%0.265CS..EExtended strand (participates in β ladder)trans-75.4120.6176-172.8-119.9000112.3D31 R33 Y38 S73D31-N48 WeakPolarHBondContact O-CA 3.39Å; D31-N48 PolarHBondContact O-ND2 2.83Å; D31-N48 PolarHBondContact OD1-ND2 3.1Å; R33-N48 PolarHBondContact O-ND2 3Å; Y38-N48 HydrophobicContact CD1-CB 3.71Å; Y38-N48 HydrophobicContact CD2-CB 3.63Å; Y38-N48 HydrophobicContact CE1-CB 3.88Å; Y38-N48 HydrophobicContact CE2-CB 3.77Å; Y38-N48 HydrophobicContact CG-CB 3.57Å; N48-S73 WeakPolarHBondContact O-CB 3.17Å; N48-S73 PolarHBondContact O-OG 3.29Å
49I92.6Very high89.9Confident0 Ų051.9 Ų51.90%026%0.261CS..  trans-106.798.4171.5-58.4-174.9000109I30 D31 I47 C51 I66 L69 I70 F104 L108I30-I49 HydrophobicContact CD1-CD1 3.96Å; I30-I49 HydrophobicContact CG1-CD1 4.31Å; I30-I49 HydrophobicContact CG2-CB 4.26Å; I30-I49 HydrophobicContact CG2-CD1 3.68Å; I30-I49 HydrophobicContact CG2-CG1 3.86Å; D31-I49 PolarHBondContact O-N 3.28Å; I47-I49 PolarHBondContact O-N 3.05Å; I49-C51 PolarHBondContact O-N 3.31Å; I49-C51 VanDerWaalsContact O-N 3.14Å; I49-C51 PolarHBondContact O-SG 3.13Å; I49-C51 VanDerWaalsContact O-SG 3.4Å; I49-I66 HydrophobicContact CD1-CD1 4.24Å; I49-L69 HydrophobicContact CG2-CD2 3.53Å; I49-L69 HydrophobicContact CG2-CG 3.91Å; I49-I70 HydrophobicContact CD1-CG1 3.81Å; I49-F104 HydrophobicContact CG2-CZ 4.05Å; I49-F104 WeakPolarHBondContact O-CE1 3.48Å; I49-L108 HydrophobicContact CD1-CD1 4.24Å; I49-L108 HydrophobicContact CG2-CD1 4.37Å
50N79.2Confident90Very high71 Ų7151.2 Ų51.238%0.3826%0.255SS..  trans-51.2112.1-171.6177.8-15000114S52 M55N50-S52 PolarHBondContact O-N 3.36Å; N50-S52 WeakPolarHBondContact OD1-CB 3.23Å; N50-S52 PolarHBondContact OD1-N 3.47Å; N50-M55 WeakPolarHBondContact O-CB 3.26Å
51C78Confident90.1Very high31 Ų3151.2 Ų51.221%0.20925%0.248CC..  trans-74.514.3-173.4-41.70000116S32 I49 F104S32-C51 PolarHBondContact O-SG 3.16Å; I49-C51 PolarHBondContact O-N 3.31Å; I49-C51 VanDerWaalsContact O-N 3.14Å; I49-C51 PolarHBondContact O-SG 3.13Å; I49-C51 VanDerWaalsContact O-SG 3.4Å; C51-F104 HydrophobicContact CB-CB 4.24Å; C51-F104 HydrophobicContact CB-CD1 3.43Å; C51-F104 VanDerWaalsContact CB-CD1 3.43Å; C51-F104 HydrophobicContact CB-CD2 4.45Å; C51-F104 HydrophobicContact CB-CE1 3.83Å; C51-F104 HydrophobicContact CB-CG 3.78Å; C51-F104 HydrophobicContact CB-CZ 4.49Å; C51-F104 WeakPolarHBondContact SG-CD1 3.35Å; C51-F104 VanDerWaalsContact SG-CE1 3.55Å
52S85.1Confident90Very high44 Ų4455.1 Ų55.131%0.30827%0.267SS..  trans-53.4145.4178.565.80000113N50 L54 M55 K56N50-S52 PolarHBondContact O-N 3.36Å; N50-S52 WeakPolarHBondContact OD1-CB 3.23Å; N50-S52 PolarHBondContact OD1-N 3.47Å; S52-L54 PolarHBondContact O-N 3.03Å; S52-L54 VanDerWaalsContact O-N 3.13Å; S52-M55 PolarHBondContact O-N 3.38Å; S52-M55 WeakPolarHBondContact OG-CB 3.42Å; S52-M55 PolarHBondContact OG-N 3.43Å; S52-K56 PolarHBondContact O-N 2.98Å
53K87.6Confident89.8Confident105 Ų10561.4 Ų61.446%0.45730%0.295SS..Hα-helixtrans-58.4-28.6176.3-58.7-160.1-16997.10112.5R57 E630K53-R57 WeakPolarHBondContact O-CB 3.24Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.41Å; K53-R57 PolarHBondContact O-N 2.94Å; K53-E630 WeakPolarHBondContact CB-OE1 3.45Å; K53-E630 VanDerWaalsContact CD-OE2 3.27Å; K53-E630 WeakPolarHBondContact CD-OE2 3.12Å; K53-E630 WeakPolarHBondContact CE-OE2 3.14Å; K53-E630 WeakPolarHBondContact CG-OE2 3.08Å; K53-E630 IonicContact NZ-OE2 3.51Å; K53-E630 PolarHBondContact NZ-OE2 2.97Å
54L89Confident89.6Confident102 Ų10262.7 Ų62.753%0.53430%0.302SS..Hα-helixtrans-65.9-45.5172.8-178.761.4000112.1S52 R57 R58S52-L54 PolarHBondContact O-N 3.03Å; S52-L54 VanDerWaalsContact O-N 3.13Å; L54-R57 PolarHBondContact O-N 3.14Å; L54-R58 WeakPolarHBondContact O-CG 3.49Å; L54-R58 PolarHBondContact O-N 3.36Å
55M88.9Confident89.6Confident36 Ų3663.8 Ų63.818%0.17731%0.308CS..Hα-helixtrans-66.3-44.5177.8-168.858.773.500111.1N50 S52 R57 R58 L59 L69 F104N50-M55 WeakPolarHBondContact O-CB 3.26Å; S52-M55 PolarHBondContact O-N 3.38Å; S52-M55 WeakPolarHBondContact OG-CB 3.42Å; S52-M55 PolarHBondContact OG-N 3.43Å; M55-R57 VanDerWaalsContact C-N 3.33Å; M55-R57 PolarHBondContact O-N 3.12Å; M55-R58 PolarHBondContact O-N 3.43Å; M55-R58 VanDerWaalsContact O-N 3.08Å; M55-L59 HydrophobicContact CG-CD1 4.2Å; M55-L59 PolarHBondContact O-N 3.34Å; M55-L69 HydrophobicContact CE-CD1 3.58Å; M55-L69 HydrophobicContact CG-CD2 3.93Å; M55-L69 HydrophobicContact SD-CD1 3.81Å; M55-L69 HydrophobicContact SD-CD2 3.69Å; M55-L69 HydrophobicContact SD-CG 4.42Å; M55-F104 HydrophobicContact CG-CE2 4.41Å
56K90.4Very high89.8Confident29 Ų2959 Ų5913%0.12628%0.283CS..Hα-helixtrans-48.9-53171.7-171-170.8146.2-168.40111.6S52 R58 L59 Q60 D102 F104 V107S52-K56 PolarHBondContact O-N 2.98Å; K56-R58 VanDerWaalsContact C-N 3.33Å; K56-R58 PolarHBondContact O-N 2.96Å; K56-L59 PolarHBondContact O-N 2.92Å; K56-Q60 VanDerWaalsContact CE-NE2 3.31Å; K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 WeakPolarHBondContact O-CG 3.36Å; K56-Q60 PolarHBondContact O-N 3.19Å; K56-D102 VanDerWaalsContact CE-O 3.26Å; K56-D102 WeakPolarHBondContact CE-O 3.22Å; K56-D102 WeakPolarHBondContact CE-OD1 3.19Å; K56-D102 PolarHBondContact NZ-O 2.96Å; K56-D102 IonicContact NZ-OD1 2.79Å; K56-D102 PolarHBondContact NZ-OD1 2.87Å; K56-D102 IonicContact NZ-OD2 3.58Å; K56-D102 PolarHBondContact NZ-OD2 2.59Å; K56-F104 HydrophobicContact CB-CD2 3.84Å; K56-F104 HydrophobicContact CG-CD2 4.22Å; K56-V107 HydrophobicContact CG-CB 4.47Å; K56-V107 HydrophobicContact CG-CG1 4.48Å; K56-V107 HydrophobicContact CG-CG2 4.15Å
57R90.9Very high89.6Confident160 Ų16061.1 Ų61.160%0.60430%0.295SS*.Hα-helixtrans-65.5-31.9-179.6-72.5175.174.4176.26.6113K53 L54 M55 Q61K53-R57 WeakPolarHBondContact O-CB 3.24Å; K53-R57 VanDerWaalsContact O-CG 3.26Å; K53-R57 WeakPolarHBondContact O-CG 3.41Å; K53-R57 PolarHBondContact O-N 2.94Å; L54-R57 PolarHBondContact O-N 3.14Å; M55-R57 VanDerWaalsContact C-N 3.33Å; M55-R57 PolarHBondContact O-N 3.12Å; R57-Q61 VanDerWaalsContact O-CB 3.31Å; R57-Q61 WeakPolarHBondContact O-CB 3.17Å; R57-Q61 WeakPolarHBondContact O-CG 3.33Å; R57-Q61 PolarHBondContact O-N 2.69Å
58R90.8Very high89.4Confident90 Ų9065.8 Ų65.834%0.3432%0.317SS..Hα-helixtrans-71.6-43.3175.6-75.2180179.1-154.8-0.6112.2L54 M55 K56 Q61 D62 K63 V64L54-R58 WeakPolarHBondContact O-CG 3.49Å; L54-R58 PolarHBondContact O-N 3.36Å; M55-R58 PolarHBondContact O-N 3.43Å; M55-R58 VanDerWaalsContact O-N 3.08Å; K56-R58 VanDerWaalsContact C-N 3.33Å; K56-R58 PolarHBondContact O-N 2.96Å; R58-Q61 CarbonylContact O-C 3.48Å; R58-Q61 PolarHBondContact O-N 3.04Å; R58-D62 PolarHBondContact O-N 2.79Å; R58-K63 PolarHBondContact O-N 3.49Å; R58-V64 HydrophobicContact CB-CG2 4.02Å
59L91.2Very high89.3Confident1 Ų165.7 Ų65.71%0.00532%0.316CS..Hα-helixtrans-64.5-46.8173.7-72.5169.7000111.5M55 K56 Q61 D62 I66 L69 F104 V107 K111M55-L59 HydrophobicContact CG-CD1 4.2Å; M55-L59 PolarHBondContact O-N 3.34Å; K56-L59 PolarHBondContact O-N 2.92Å; L59-Q61 PolarHBondContact O-N 3.4Å; L59-D62 PolarHBondContact O-N 2.75Å; L59-D62 VanDerWaalsContact O-N 3.11Å; L59-I66 HydrophobicContact CD2-CD1 4.37Å; L59-L69 HydrophobicContact CD1-CD2 3.87Å; L59-L69 HydrophobicContact CD2-CD2 3.92Å; L59-L69 HydrophobicContact CG-CD2 4.17Å; L59-F104 HydrophobicContact CD1-CE2 3.97Å; L59-F104 HydrophobicContact CD1-CZ 4.34Å; L59-V107 HydrophobicContact CB-CG1 4.05Å; L59-K111 WeakPolarHBondContact O-CE 3.47Å; L59-K111 PolarHBondContact O-NZ 2.77Å
60Q91.1Very high89.3Confident78 Ų7865.8 Ų65.836%0.36432%0.317SS..Hα-helixtrans-56.3-33.6175-78176-43.200112.6K56 D102 V107K56-Q60 VanDerWaalsContact CE-NE2 3.31Å; K56-Q60 WeakPolarHBondContact O-CB 3.45Å; K56-Q60 WeakPolarHBondContact O-CG 3.36Å; K56-Q60 PolarHBondContact O-N 3.19Å; Q60-D102 PolarHBondContact NE2-OD1 2.92Å; Q60-V107 HydrophobicContact CG-CB 4.42Å; Q60-V107 HydrophobicContact CG-CG1 3.72Å; Q60-V107 HydrophobicContact CG-CG2 3.73Å
61Q91.9Very high89.8Confident100 Ų10065.3 Ų65.347%0.46731%0.312SS..THydrogen-bonded Turntrans-94.46.8-179.4-67178.54.100114.3R57 R58 L59 K63R57-Q61 VanDerWaalsContact O-CB 3.31Å; R57-Q61 WeakPolarHBondContact O-CB 3.17Å; R57-Q61 WeakPolarHBondContact O-CG 3.33Å; R57-Q61 PolarHBondContact O-N 2.69Å; R58-Q61 CarbonylContact O-C 3.48Å; R58-Q61 PolarHBondContact O-N 3.04Å; L59-Q61 PolarHBondContact O-N 3.4Å; Q61-K63 HydrophobicContact CB-CD 4.02Å; Q61-K63 HydrophobicContact CB-CG 4.06Å; Q61-K63 PolarHBondContact O-N 2.8Å; Q61-K63 VanDerWaalsContact O-N 3.13Å
62D90.8Very high90.3Very high102 Ų10271.7 Ų71.755%0.54534%0.338SS..THydrogen-bonded Turntrans51.433.2-176.2-69.4-65.1000114R58 L59 K111R58-D62 PolarHBondContact O-N 2.79Å; L59-D62 PolarHBondContact O-N 2.75Å; L59-D62 VanDerWaalsContact O-N 3.11Å; D62-K111 IonicContact OD1-NZ 2.96Å; D62-K111 PolarHBondContact OD1-NZ 3.36Å; D62-K111 IonicContact OD2-NZ 2.68Å; D62-K111 PolarHBondContact OD2-NZ 2.82Å
63K91.3Very high90.4Very high144 Ų14471.5 Ų71.563%0.62634%0.337SS*.SBendtrans-89.9-3.1177.8-73177.6178.31690114R58 Q61R58-K63 PolarHBondContact O-N 3.49Å; Q61-K63 HydrophobicContact CB-CD 4.02Å; Q61-K63 HydrophobicContact CB-CG 4.06Å; Q61-K63 PolarHBondContact O-N 2.8Å; Q61-K63 VanDerWaalsContact O-N 3.13Å
64V90.4Very high90.4Very high26 Ų2667.2 Ų67.216%0.15832%0.322CS..SBendtrans-148126.9174.3173.20000105.2R58 L69R58-V64 HydrophobicContact CB-CG2 4.02Å; V64-L69 HydrophobicContact CG1-CB 3.95Å
65L91.4Very high90.1Very high87 Ų8767.8 Ų67.846%0.45532%0.32SS..  trans-77.3146175.4-59.3176.1000110T67 E68 L69L65-T67 VanDerWaalsContact C-N 3.27Å; L65-T67 PolarHBondContact O-N 2.99Å; L65-E68 HydrophobicContact CB-CB 4.29Å; L65-E68 HydrophobicContact CB-CG 3.93Å; L65-E68 WeakPolarHBondContact CB-OE2 3.34Å; L65-E68 HydrophobicContact CD1-CG 4.4Å; L65-E68 PolarHBondContact N-OE2 3.09Å; L65-E68 PolarHBondContact O-N 2.84Å; L65-L69 PolarHBondContact O-N 2.8Å
66I91.7Very high89.7Confident6 Ų673.2 Ų73.23%0.03135%0.345CS..Hα-helixtrans-63.9-35-178.9-173.754.4000111.9I49 L59 L69 I70 L108 K111 L112 N115I49-I66 HydrophobicContact CD1-CD1 4.24Å; L59-I66 HydrophobicContact CD2-CD1 4.37Å; I66-L69 HydrophobicContact CD1-CD2 4.33Å; I66-L69 PolarHBondContact O-N 2.89Å; I66-I70 HydrophobicContact CD1-CD1 4.44Å; I66-I70 HydrophobicContact CD1-CG1 4.45Å; I66-I70 HydrophobicContact CG1-CD1 4.01Å; I66-I70 WeakPolarHBondContact O-CD1 3.27Å; I66-I70 VanDerWaalsContact O-CG1 3.24Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.03Å; I66-L108 HydrophobicContact CD1-CD1 3.52Å; I66-L108 HydrophobicContact CG1-CD1 4.49Å; I66-K111 HydrophobicContact CB-CB 4.27Å; I66-K111 HydrophobicContact CG2-CB 4.47Å; I66-L112 HydrophobicContact CD1-CD2 4.23Å; I66-L112 HydrophobicContact CG1-CD2 3.57Å; I66-L112 HydrophobicContact CG1-CG 4.13Å; I66-N115 HydrophobicContact CG2-CB 4.2Å; I66-N115 WeakPolarHBondContact CG2-ND2 3.41Å
67T91.1Very high89.3Confident44 Ų4479.6 Ų79.627%0.2737%0.372SS..Hα-helixtrans-65.5-42.4175.650.60000112.6L65 L69 Q71 I80L65-T67 VanDerWaalsContact C-N 3.27Å; L65-T67 PolarHBondContact O-N 2.99Å; T67-L69 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 2.81Å; T67-Q71 WeakPolarHBondContact O-CB 3.44Å; T67-Q71 PolarHBondContact O-N 3.11Å; T67-I80 HydrophobicContact CG2-CG2 4.25Å; T67-I80 WeakPolarHBondContact O-CD1 3.39Å
68E90.4Very high89Confident111 Ų11174.3 Ų74.352%0.51936%0.355SS..Hα-helixtrans-62-41172.2-65.9173.5148.100111.4L65 Q71 H72L65-E68 HydrophobicContact CB-CB 4.29Å; L65-E68 HydrophobicContact CB-CG 3.93Å; L65-E68 WeakPolarHBondContact CB-OE2 3.34Å; L65-E68 HydrophobicContact CD1-CG 4.4Å; L65-E68 PolarHBondContact N-OE2 3.09Å; L65-E68 PolarHBondContact O-N 2.84Å; E68-Q71 PolarHBondContact O-N 2.76Å; E68-H72 WeakPolarHBondContact O-CB 3.3Å; E68-H72 PolarHBondContact O-N 3.41Å
69L91.1Very high88.6Confident13 Ų1377.2 Ų77.27%0.06837%0.373CS..Hα-helixtrans-68.4-41.1179.9-178.657.7000112.7I49 M55 L59 V64 L65 I66 T67 H72 S73I49-L69 HydrophobicContact CG2-CD2 3.53Å; I49-L69 HydrophobicContact CG2-CG 3.91Å; M55-L69 HydrophobicContact CE-CD1 3.58Å; M55-L69 HydrophobicContact CG-CD2 3.93Å; M55-L69 HydrophobicContact SD-CD1 3.81Å; M55-L69 HydrophobicContact SD-CD2 3.69Å; M55-L69 HydrophobicContact SD-CG 4.42Å; L59-L69 HydrophobicContact CD1-CD2 3.87Å; L59-L69 HydrophobicContact CD2-CD2 3.92Å; L59-L69 HydrophobicContact CG-CD2 4.17Å; V64-L69 HydrophobicContact CG1-CB 3.95Å; L65-L69 PolarHBondContact O-N 2.8Å; I66-L69 HydrophobicContact CD1-CD2 4.33Å; I66-L69 PolarHBondContact O-N 2.89Å; T67-L69 VanDerWaalsContact C-N 3.33Å; T67-L69 PolarHBondContact O-N 2.81Å; L69-H72 PolarHBondContact O-N 2.96Å; L69-S73 WeakPolarHBondContact O-CB 3.41Å; L69-S73 PolarHBondContact O-N 2.89Å; L69-S73 PolarHBondContact O-OG 2.94Å
70I91.9Very high88.2Confident1 Ų179.6 Ų79.61%0.00539%0.385CS..Hα-helixtrans-58.8-51.5170.7-69.5155.7000109.2L28 I30 I47 I49 I66 H72 S73 A74 I80 L112 F116L28-I70 HydrophobicContact CD1-CG2 4.02Å; L28-I70 HydrophobicContact CD2-CD1 3.86Å; L28-I70 HydrophobicContact CD2-CG1 4.47Å; L28-I70 HydrophobicContact CD2-CG2 4.21Å; I30-I70 HydrophobicContact CD1-CG1 4.49Å; I47-I70 HydrophobicContact CD1-CG2 4.17Å; I49-I70 HydrophobicContact CD1-CG1 3.81Å; I66-I70 HydrophobicContact CD1-CD1 4.44Å; I66-I70 HydrophobicContact CD1-CG1 4.45Å; I66-I70 HydrophobicContact CG1-CD1 4.01Å; I66-I70 WeakPolarHBondContact O-CD1 3.27Å; I66-I70 VanDerWaalsContact O-CG1 3.24Å; I66-I70 WeakPolarHBondContact O-CG1 3.34Å; I66-I70 PolarHBondContact O-N 3.03Å; I70-H72 VanDerWaalsContact C-N 3.31Å; I70-H72 PolarHBondContact O-N 3.4Å; I70-S73 PolarHBondContact O-N 2.94Å; I70-A74 PolarHBondContact O-N 2.79Å; I70-I80 HydrophobicContact CB-CD1 3.99Å; I70-I80 HydrophobicContact CG2-CD1 3.76Å; I70-I80 HydrophobicContact CG2-CG1 4.46Å; I70-L112 HydrophobicContact CD1-CD2 4.02Å; I70-F116 HydrophobicContact CD1-CE2 4.03Å; I70-F116 HydrophobicContact CD1-CZ 4Å
71Q90.2Very high87.9Confident61 Ų6179.3 Ų79.329%0.28539%0.386SS..Hα-helixtrans-66.8-29.4-177.6-177.157.6104.700113.1T67 E68 H76 I78 I80T67-Q71 WeakPolarHBondContact O-CB 3.44Å; T67-Q71 PolarHBondContact O-N 3.11Å; E68-Q71 PolarHBondContact O-N 2.76Å; Q71-H76 PolarHBondContact NE2-O 2.82Å; Q71-I78 PolarHBondContact OE1-O 2.67Å; Q71-I80 HydrophobicContact CB-CD1 4.49Å
72H88.2Confident87.5Confident165 Ų16577.9 Ų77.976%0.76439%0.386SS*.Hα-helixtrans-76.7-27.1172.4-168.3-50.7000112.5E68 L69 I70E68-H72 WeakPolarHBondContact O-CB 3.3Å; E68-H72 PolarHBondContact O-N 3.41Å; L69-H72 PolarHBondContact O-N 2.96Å; I70-H72 VanDerWaalsContact C-N 3.31Å; I70-H72 PolarHBondContact O-N 3.4Å
73S88.9Confident87.3Confident40 Ų4080.3 Ų80.328%0.2839%0.392SS..Hα-helixtrans-85-20.6179.1-57.60000113.4I47 N48 L69 I70I47-S73 VanDerWaalsContact CG2-CB 3.46Å; N48-S73 WeakPolarHBondContact O-CB 3.17Å; N48-S73 PolarHBondContact O-OG 3.29Å; L69-S73 WeakPolarHBondContact O-CB 3.41Å; L69-S73 PolarHBondContact O-N 2.89Å; L69-S73 PolarHBondContact O-OG 2.94Å; I70-S73 PolarHBondContact O-N 2.94Å
74A87.5Confident87.1Confident16 Ų1674.6 Ų74.613%0.13237%0.367CS..SBendtrans-69140.6-179.100000113.2I47 I70 H76 I78I47-A74 HydrophobicContact CD1-CB 4.26Å; I70-A74 PolarHBondContact O-N 2.79Å; A74-H76 VanDerWaalsContact CB-O 3.27Å; A74-H76 WeakPolarHBondContact CB-O 3.04Å; A74-H76 PolarHBondContact O-N 2.95Å; A74-I78 HydrophobicContact CB-CD1 3.54Å; A74-I78 HydrophobicContact CB-CG1 3.99Å
75K81Confident87.1Confident114 Ų11476 Ų7650%0.49637%0.372SS..SBendtrans-61.7-24.6173.4-60.6177.1-171173.30112.3E138K75-E138 IonicContact NZ-OE1 2.72Å; K75-E138 PolarHBondContact NZ-OE1 3.05Å; K75-E138 IonicContact NZ-OE2 3.51Å; K75-E138 PolarHBondContact NZ-OE2 2.97Å
76H82.1Confident87.3Confident150 Ų15071.9 Ų71.969%0.69435%0.351SS*.SBendtrans-139.6172.2-175.8-60.3-50.3000112Q71 A74 I78Q71-H76 PolarHBondContact NE2-O 2.82Å; A74-H76 VanDerWaalsContact CB-O 3.27Å; A74-H76 WeakPolarHBondContact CB-O 3.04Å; A74-H76 PolarHBondContact O-N 2.95Å; H76-I78 PolarHBondContact O-N 3.32Å
77K82.1Confident87.5Confident163 Ų16371.6 Ų71.671%0.70935%0.349SS*.  trans-67.7128.3170-166.3-164.5174.2-143.30109E79K77-E79 IonicContact NZ-OE1 3.19Å; K77-E79 PolarHBondContact NZ-OE1 3.1Å
78I83.3Confident87.7Confident49 Ų4969.5 Ų69.525%0.25134%0.336SS..  trans-117.6131.3178.9-62.8-178.7000108I47 Q71 A74 H76 I80I47-I78 HydrophobicContact CD1-CD1 3.5Å; Q71-I78 PolarHBondContact OE1-O 2.67Å; A74-I78 HydrophobicContact CB-CD1 3.54Å; A74-I78 HydrophobicContact CB-CG1 3.99Å; H76-I78 PolarHBondContact O-N 3.32Å; I78-I80 HydrophobicContact CG2-CG1 4.2Å; I78-I80 PolarHBondContact O-N 3.49Å
79E82.1Confident88Confident151 Ų15164.2 Ų64.271%0.70631%0.312SS*.  trans-82.9105.2169.5-54.9-147.9143.100107.9K77 D81 Q84K77-E79 IonicContact NZ-OE1 3.19Å; K77-E79 PolarHBondContact NZ-OE1 3.1Å; E79-D81 PolarHBondContact O-N 3.01Å; E79-Q84 PolarHBondContact O-NE2 2.94Å
80I84.4Confident88.2Confident51 Ų5164.9 Ų64.926%0.26232%0.315SS..  trans-84.1108.5-178.2-57.1177.9000108.2T67 I70 Q71 I78 F116T67-I80 HydrophobicContact CG2-CG2 4.25Å; T67-I80 WeakPolarHBondContact O-CD1 3.39Å; I70-I80 HydrophobicContact CB-CD1 3.99Å; I70-I80 HydrophobicContact CG2-CD1 3.76Å; I70-I80 HydrophobicContact CG2-CG1 4.46Å; Q71-I80 HydrophobicContact CB-CD1 4.49Å; I78-I80 HydrophobicContact CG2-CG1 4.2Å; I78-I80 PolarHBondContact O-N 3.49Å; I80-F116 HydrophobicContact CG2-CE1 3.52Å; I80-F116 HydrophobicContact CG2-CZ 3.4Å
81D84.6Confident88.2Confident72 Ų7268.3 Ų68.339%0.38533%0.331SS..  trans-102.2137.6171.4-174.5-0.6000108.8E79 K83 Q84E79-D81 PolarHBondContact O-N 3.01Å; D81-K83 PolarHBondContact O-N 2.73Å; D81-K83 PolarHBondContact OD1-N 3.41Å; D81-Q84 HydrophobicContact CB-CG 4.37Å; D81-Q84 VanDerWaalsContact N-OE1 3.15Å; D81-Q84 WeakPolarHBondContact O-CB 3.43Å; D81-Q84 PolarHBondContact O-N 2.66Å; D81-Q84 PolarHBondContact O-OE1 3.13Å
82C83.9Confident88.5Confident70 Ų7069 Ų6947%0.47334%0.343SS..THydrogen-bonded Turntrans-63.4-12.1176.161.30000113.1N115 F116 S117C82-N115 WeakPolarHBondContact CA-O 3.5Å; C82-N115 WeakPolarHBondContact CB-O 3.47Å; C82-F116 CarbonylContact O-C 3.52Å; C82-F116 WeakPolarHBondContact O-CA 3.5Å; C82-S117 PolarHBondContact O-N 3.35Å; C82-S117 PolarHBondContact O-OG 3.16Å
83K85Confident88.7Confident153 Ų15362 Ų6267%0.66531%0.313SS*.THydrogen-bonded Turntrans-87.5-2.7174.2-58.1173.2-168.3155.60114.8D81D81-K83 PolarHBondContact O-N 2.73Å; D81-K83 PolarHBondContact OD1-N 3.41Å
84Q87.9Confident88.7Confident23 Ų2365.4 Ų65.411%0.10732%0.322CS..SBendtrans-66.1142.3175.4-78.2163.5-21.900110.7K26 E79 D81 V86 F116K26-Q84 WeakPolarHBondContact O-CA 3.4Å; K26-Q84 WeakPolarHBondContact O-CB 3.48Å; E79-Q84 PolarHBondContact O-NE2 2.94Å; D81-Q84 HydrophobicContact CB-CG 4.37Å; D81-Q84 VanDerWaalsContact N-OE1 3.15Å; D81-Q84 WeakPolarHBondContact O-CB 3.43Å; D81-Q84 PolarHBondContact O-N 2.66Å; D81-Q84 PolarHBondContact O-OE1 3.13Å; Q84-V86 PolarHBondContact O-N 3.17Å; Q84-F116 HydrophobicContact CB-CD1 4.38Å; Q84-F116 HydrophobicContact CB-CE1 4.42Å
85E91.3Very high88.8Confident56 Ų5667.2 Ų67.226%0.26233%0.33SS..EExtended strand (participates in β ladder)trans-78.2113.9169-70.7-174.789.400108.1L19 K26 L27 L28 Y120L19-E85 WeakPolarHBondContact CD2-OE2 3.27Å; K26-E85 PolarHBondContact O-N 3.39Å; L27-E85 WeakPolarHBondContact CA-O 3.42Å; L28-E85 PolarHBondContact N-O 2.96Å; E85-Y120 HydrophobicContact CB-CE2 4.46Å; E85-Y120 HydrophobicContact CG-CE2 4.38Å
86V94.6Very high89.1Confident0 Ų063.3 Ų63.30%032%0.315CS..EExtended strand (participates in β ladder)trans-94.8124.1177.7-170.90000109.1L28 I30 Q84 V88 L112 F116 S118 V119 Y120L28-V86 HydrophobicContact CB-CG1 4.44Å; L28-V86 HydrophobicContact CB-CG2 4.22Å; L28-V86 HydrophobicContact CD2-CG1 4.25Å; L28-V86 HydrophobicContact CD2-CG2 4.1Å; L28-V86 HydrophobicContact CG-CG1 4.5Å; L28-V86 WeakPolarHBondContact O-CA 3.41Å; I30-V86 HydrophobicContact CD1-CG1 3.6Å; I30-V86 HydrophobicContact CG1-CG1 4.32Å; Q84-V86 PolarHBondContact O-N 3.17Å; V86-V88 HydrophobicContact CG1-CG2 4.22Å; V86-L112 HydrophobicContact CG1-CD1 4.08Å; V86-L112 HydrophobicContact CG1-CD2 4.26Å; V86-F116 HydrophobicContact CG2-CB 3.71Å; V86-F116 HydrophobicContact CG2-CD1 3.4Å; V86-F116 VanDerWaalsContact CG2-CD1 3.4Å; V86-F116 HydrophobicContact CG2-CD2 3.71Å; V86-F116 HydrophobicContact CG2-CE1 3.82Å; V86-F116 HydrophobicContact CG2-CE2 4.12Å; V86-F116 HydrophobicContact CG2-CG 3.33Å; V86-F116 HydrophobicContact CG2-CZ 4.15Å; V86-S118 PolarHBondContact N-O 2.86Å; V86-V119 HydrophobicContact CB-CG2 4.38Å; V86-V119 CarbonylContact O-C 3.11Å; V86-V119 WeakPolarHBondContact O-CA 3.44Å; V86-Y120 PolarHBondContact O-N 3.13Å
87V95.9Very high89.2Confident0 Ų061 Ų610%031%0.312CS..EExtended strand (participates in β ladder)trans-115.9121.7173179.70000108.6I11 L16 L19 L27 L28 L29 I30 Y120 L122I11-V87 HydrophobicContact CD1-CG2 4.23Å; I11-V87 HydrophobicContact CG2-CG1 3.8Å; I11-V87 HydrophobicContact CG2-CG2 4.46Å; L16-V87 HydrophobicContact CD1-CB 4.31Å; L16-V87 HydrophobicContact CD1-CG1 4.12Å; L16-V87 HydrophobicContact CD1-CG2 4.15Å; L16-V87 HydrophobicContact CD2-CG1 4.19Å; L19-V87 HydrophobicContact CD1-CG2 4.44Å; L27-V87 HydrophobicContact CD1-CB 4.29Å; L27-V87 HydrophobicContact CD1-CG2 3.64Å; L28-V87 PolarHBondContact O-N 2.87Å; L29-V87 WeakPolarHBondContact CA-O 3.42Å; L29-V87 HydrophobicContact CD1-CB 3.85Å; L29-V87 HydrophobicContact CD1-CG1 3.87Å; I30-V87 PolarHBondContact N-O 3.11Å; V87-Y120 HydrophobicContact CG2-CD2 4.3Å; V87-L122 HydrophobicContact CG1-CB 4.36Å
88V96.3Very high89.3Confident0 Ų057.2 Ų57.20%031%0.306CS..EExtended strand (participates in β ladder)trans-107.8141.3176.6-168.40000109.2I30 V86 L105 L108 L109 L112 Y120 L121 L122I30-V88 HydrophobicContact CB-CG1 4.43Å; I30-V88 HydrophobicContact CB-CG2 4.27Å; I30-V88 HydrophobicContact CD1-CG2 4.48Å; I30-V88 HydrophobicContact CG2-CG1 4.17Å; I30-V88 WeakPolarHBondContact O-CA 3.48Å; V86-V88 HydrophobicContact CG1-CG2 4.22Å; V88-L105 HydrophobicContact CB-CD1 4.4Å; V88-L105 HydrophobicContact CG1-CD1 3.56Å; V88-L108 HydrophobicContact CG1-CD2 3.9Å; V88-L109 HydrophobicContact CB-CD2 4.04Å; V88-L109 HydrophobicContact CG2-CD2 3.81Å; V88-L112 HydrophobicContact CG2-CD1 3.43Å; V88-L112 VanDerWaalsContact CG2-CD1 3.43Å; V88-Y120 PolarHBondContact N-O 2.63Å; V88-L121 WeakPolarHBondContact O-CA 3.34Å; V88-L122 PolarHBondContact O-N 3.26Å
89Y96Very high89.5Confident0 Ų056.2 Ų56.20%030%0.301CS..EExtended strand (participates in β ladder)trans-140.2143.3172.168.7-91.1000112.6L29 I30 D31 S32 I43 A46 L122 F126L29-Y89 HydrophobicContact CD1-CD1 3.83Å; L29-Y89 HydrophobicContact CD1-CE1 3.87Å; L29-Y89 HydrophobicContact CD2-CE1 4.46Å; L29-Y89 HydrophobicContact CG-CD1 4.45Å; L29-Y89 HydrophobicContact CG-CE1 3.99Å; I30-Y89 WeakPolarHBondContact O-CD1 3.4Å; I30-Y89 PolarHBondContact O-N 2.96Å; D31-Y89 HydrophobicContact CB-CE1 4.12Å; D31-Y89 HydrophobicContact CB-CE2 4Å; D31-Y89 WeakPolarHBondContact OD2-CE2 3.29Å; D31-Y89 PolarHBondContact OD2-OH 3Å; D31-Y89 VanDerWaalsContact OD2-OH 3.09Å; S32-Y89 PolarHBondContact N-O 3.34Å; S32-Y89 PolarHBondContact OG-O 3.38Å; S32-Y89 VanDerWaalsContact OG-O 3.14Å; I43-Y89 HydrophobicContact CB-CE1 4.08Å; I43-Y89 HydrophobicContact CD1-CD1 3.85Å; I43-Y89 HydrophobicContact CD1-CD2 4.43Å; I43-Y89 HydrophobicContact CD1-CE1 3.68Å; I43-Y89 HydrophobicContact CD1-CE2 4.27Å; I43-Y89 HydrophobicContact CD1-CG 4.22Å; I43-Y89 HydrophobicContact CG1-CE1 3.89Å; I43-Y89 HydrophobicContact CG1-CE2 4.16Å; I43-Y89 PolarHBondContact N-OH 2.86Å; A46-Y89 HydrophobicContact CB-CE1 3.84Å; A46-Y89 VanDerWaalsContact CB-OH 3.23Å; A46-Y89 WeakPolarHBondContact CB-OH 3.38Å; Y89-L122 HydrophobicContact CD1-CD2 4.47Å; Y89-L122 HydrophobicContact CG-CD2 4.14Å; Y89-F126 HydrophobicContact CD2-CB 3.86Å; Y89-F126 HydrophobicContact CD2-CD2 4.46Å; Y89-F126 HydrophobicContact CE2-CB 3.93Å; Y89-F126 AromaticContact CE2-CD2 3.8Å; Y89-F126 HydrophobicContact CE2-CD2 3.8Å; Y89-F126 HydrophobicContact CE2-CG 4.25Å
90D94.1Very high89.7Confident28 Ų2852.6 Ų52.615%0.1529%0.293CS..  trans-105.1-156.3168.377.1-32.2000109.9S92 S93 L105 G125 F126D90-S92 PolarHBondContact OD1-N 3.12Å; D90-S93 VanDerWaalsContact CG-OG 3.23Å; D90-S93 WeakPolarHBondContact OD1-CB 3.46Å; D90-S93 PolarHBondContact OD1-N 3.49Å; D90-S93 PolarHBondContact OD1-OG 2.79Å; D90-S93 WeakPolarHBondContact OD2-CB 3.46Å; D90-S93 PolarHBondContact OD2-N 3.23Å; D90-S93 PolarHBondContact OD2-OG 3.27Å; D90-L105 HydrophobicContact CB-CD2 4.22Å; D90-G125 WeakPolarHBondContact O-CA 3.24Å; D90-F126 PolarHBondContact O-N 3.41Å
91Q93.8Very high89.6Confident73 Ų7355.2 Ų55.234%0.34132%0.315SS..SBendtrans-77-35179.6-174.356.723.800113.6R33 F126 A127R33-Q91 HydrophobicContact CG-CB 4.36Å; Q91-F126 PolarHBondContact O-N 3.19Å; Q91-A127 WeakPolarHBondContact O-CB 3.4Å; Q91-A127 PolarHBondContact O-N 2.86Å
92S94.8Very high89.5Confident75 Ų7556.1 Ų56.152%0.52432%0.32SS..SBendtrans-162.917.4-172.8680000117.1D90 K94 G124D90-S92 PolarHBondContact OD1-N 3.12Å; S92-K94 PolarHBondContact O-N 2.89Å; S92-G124 WeakPolarHBondContact CA-O 3.47Å
93S92.4Very high89.8Confident18 Ų1854.6 Ų54.613%0.12631%0.31CS..  trans-70131.6-177.9-700000111.7D90 L99 G124D90-S93 VanDerWaalsContact CG-OG 3.23Å; D90-S93 WeakPolarHBondContact OD1-CB 3.46Å; D90-S93 PolarHBondContact OD1-N 3.49Å; D90-S93 PolarHBondContact OD1-OG 2.79Å; D90-S93 WeakPolarHBondContact OD2-CB 3.46Å; D90-S93 PolarHBondContact OD2-N 3.23Å; D90-S93 PolarHBondContact OD2-OG 3.27Å; S93-L99 WeakPolarHBondContact OG-CD2 3.24Å; S93-G124 PolarHBondContact O-N 2.91Å
94K90.4Very high90.1Very high112 Ų11248.3 Ų48.349%0.48728%0.282SS..  trans-98.8-29.7-177.7-74.1-179.9172.8-73.30114.2S92 S123 E128S92-K94 PolarHBondContact O-N 2.89Å; K94-S123 PolarHBondContact O-OG 2.97Å; K94-E128 VanDerWaalsContact NZ-CD 3.3Å; K94-E128 IonicContact NZ-OE1 2.83Å; K94-E128 PolarHBondContact NZ-OE1 3.04Å; K94-E128 IonicContact NZ-OE2 2.74Å; K94-E128 PolarHBondContact NZ-OE2 3Å
95D88.6Confident90.3Very high53 Ų5347.6 Ų47.628%0.28328%0.279SS..  trans-146.6146.5179175.739.9000112L10 T97 S98L10-D95 HydrophobicContact CD1-CB 4.22Å; D95-T97 VanDerWaalsContact C-N 3.26Å; D95-T97 PolarHBondContact O-N 2.73Å; D95-T97 WeakPolarHBondContact OD2-CB 3.45Å; D95-T97 WeakPolarHBondContact OD2-CG2 3.33Å; D95-T97 PolarHBondContact OD2-N 3.46Å; D95-T97 VanDerWaalsContact OD2-N 3.08Å; D95-T97 PolarHBondContact OD2-OG1 3.25Å; D95-S98 WeakPolarHBondContact O-CB 3.33Å; D95-S98 PolarHBondContact O-N 3.47Å; D95-S98 VanDerWaalsContact O-N 3.17Å; D95-S98 PolarHBondContact O-OG 3.35Å
96V86.9Confident90.3Very high32 Ų3247.2 Ų47.219%0.19428%0.281CS..G310 helixtrans-60.9-33.5176.9-173.50000111.3T8 L10 S98 L99 L121T8-V96 HydrophobicContact CG2-CG2 3.8Å; L10-V96 HydrophobicContact CD2-CG2 4.3Å; V96-S98 VanDerWaalsContact C-N 3.26Å; V96-S98 PolarHBondContact O-N 3.44Å; V96-L99 HydrophobicContact CG1-CD1 4.45Å; V96-L99 WeakPolarHBondContact O-CB 3.38Å; V96-L99 WeakPolarHBondContact O-CG 3.48Å; V96-L99 PolarHBondContact O-N 3.25Å; V96-L121 HydrophobicContact CG2-CB 4.1Å; V96-L121 HydrophobicContact CG2-CD2 3.76Å
97T85.6Confident90.2Very high103 Ų10348 Ų4863%0.63229%0.286SS*.G310 helixtrans-73.2-17.4179.580.80000113.6D95 L99D95-T97 VanDerWaalsContact C-N 3.26Å; D95-T97 PolarHBondContact O-N 2.73Å; D95-T97 WeakPolarHBondContact OD2-CB 3.45Å; D95-T97 WeakPolarHBondContact OD2-CG2 3.33Å; D95-T97 PolarHBondContact OD2-N 3.46Å; D95-T97 VanDerWaalsContact OD2-N 3.08Å; D95-T97 PolarHBondContact OD2-OG1 3.25Å; T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 2.87Å
98S84.1Confident90.1Very high82 Ų8248 Ų4857%0.57329%0.286SS*.G310 helixtrans-77.6-10.3174.274.10000113.7D95 V96D95-S98 WeakPolarHBondContact O-CB 3.33Å; D95-S98 PolarHBondContact O-N 3.47Å; D95-S98 VanDerWaalsContact O-N 3.17Å; D95-S98 PolarHBondContact O-OG 3.35Å; V96-S98 VanDerWaalsContact C-N 3.26Å; V96-S98 PolarHBondContact O-N 3.44Å
99L86.1Confident90Very high28 Ų2848.2 Ų48.215%0.14729%0.287CS..SBendtrans-79.9133.6-177.7-57179.8000111.6S93 V96 T97 S101 L105 T106 L109 L121S93-L99 WeakPolarHBondContact OG-CD2 3.24Å; V96-L99 HydrophobicContact CG1-CD1 4.45Å; V96-L99 WeakPolarHBondContact O-CB 3.38Å; V96-L99 WeakPolarHBondContact O-CG 3.48Å; V96-L99 PolarHBondContact O-N 3.25Å; T97-L99 VanDerWaalsContact C-N 3.26Å; T97-L99 PolarHBondContact O-N 2.87Å; L99-S101 PolarHBondContact O-N 3.06Å; L99-L105 HydrophobicContact CD1-CB 4.41Å; L99-L105 HydrophobicContact CD1-CD2 3.62Å; L99-L105 HydrophobicContact CD1-CG 3.77Å; L99-L105 HydrophobicContact CD2-CD2 3.82Å; L99-L105 HydrophobicContact CG-CD2 4.4Å; L99-T106 WeakPolarHBondContact CB-OG1 3.5Å; L99-L109 HydrophobicContact CD1-CD1 4.08Å; L99-L121 HydrophobicContact CD1-CD2 4.2Å
100S86.3Confident89.8Confident76 Ų7649.2 Ų49.253%0.53130%0.297SS..  trans-61.4137.4167.9172.60000110.6D102 C103 T106S100-D102 PolarHBondContact O-N 2.93Å; S100-D102 VanDerWaalsContact O-N 3.12Å; S100-C103 WeakPolarHBondContact O-CB 3.22Å; S100-C103 PolarHBondContact O-N 3.34Å; S100-T106 PolarHBondContact O-OG1 3.12Å
101S83.4Confident89.7Confident105 Ų10549.1 Ų49.173%0.73430%0.295SS*.THydrogen-bonded Turntrans-60.5-21.9-179.953.20000113.8L99L99-S101 PolarHBondContact O-N 3.06Å
102D82.6Confident89.7Confident91 Ų9145.7 Ų45.749%0.48728%0.279SS..THydrogen-bonded Turntrans-108.115.4176.3-165.548.7000113.2K56 Q60 S100K56-D102 VanDerWaalsContact CE-O 3.26Å; K56-D102 WeakPolarHBondContact CE-O 3.22Å; K56-D102 WeakPolarHBondContact CE-OD1 3.19Å; K56-D102 PolarHBondContact NZ-O 2.96Å; K56-D102 IonicContact NZ-OD1 2.79Å; K56-D102 PolarHBondContact NZ-OD1 2.87Å; K56-D102 IonicContact NZ-OD2 3.58Å; K56-D102 PolarHBondContact NZ-OD2 2.59Å; Q60-D102 PolarHBondContact NE2-OD1 2.92Å; S100-D102 PolarHBondContact O-N 2.93Å; S100-D102 VanDerWaalsContact O-N 3.12Å
103C88.8Confident89.6Confident38 Ų3844.4 Ų44.426%0.25727%0.265SS..SBendtrans-75.4159.4169.4960000111.3S100 L105 T106 V107S100-C103 WeakPolarHBondContact O-CB 3.22Å; S100-C103 PolarHBondContact O-N 3.34Å; C103-L105 PolarHBondContact O-N 3.27Å; C103-L105 PolarHBondContact SG-N 3.39Å; C103-T106 PolarHBondContact SG-N 2.75Å; C103-T106 VanDerWaalsContact SG-N 3.38Å; C103-T106 PolarHBondContact SG-OG1 2.92Å; C103-V107 PolarHBondContact O-N 3.42Å
104F91.3Very high89.5Confident21 Ų2151 Ų519%0.09229%0.291CS..Hα-helixtrans-63.9-39.7179.9175.2-101.6000112.6I49 C51 M55 K56 L59 T106 V107 L108I49-F104 HydrophobicContact CG2-CZ 4.05Å; I49-F104 WeakPolarHBondContact O-CE1 3.48Å; C51-F104 HydrophobicContact CB-CB 4.24Å; C51-F104 HydrophobicContact CB-CD1 3.43Å; C51-F104 VanDerWaalsContact CB-CD1 3.43Å; C51-F104 HydrophobicContact CB-CD2 4.45Å; C51-F104 HydrophobicContact CB-CE1 3.83Å; C51-F104 HydrophobicContact CB-CG 3.78Å; C51-F104 HydrophobicContact CB-CZ 4.49Å; C51-F104 WeakPolarHBondContact SG-CD1 3.35Å; C51-F104 VanDerWaalsContact SG-CE1 3.55Å; M55-F104 HydrophobicContact CG-CE2 4.41Å; K56-F104 HydrophobicContact CB-CD2 3.84Å; K56-F104 HydrophobicContact CG-CD2 4.22Å; L59-F104 HydrophobicContact CD1-CE2 3.97Å; L59-F104 HydrophobicContact CD1-CZ 4.34Å; F104-T106 PolarHBondContact O-N 3.36Å; F104-V107 WeakPolarHBondContact O-CB 3.4Å; F104-V107 PolarHBondContact O-N 3.42Å; F104-L108 HydrophobicContact CE1-CB 4.28Å; F104-L108 HydrophobicContact CE1-CD2 3.87Å; F104-L108 HydrophobicContact CZ-CB 4.47Å; F104-L108 HydrophobicContact CZ-CD2 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.28Å; F104-L108 PolarHBondContact O-N 3.09Å
105L92.4Very high89.4Confident9 Ų948.8 Ų48.85%0.04729%0.285CS..Hα-helixtrans-62.1-44-178.717658.8000111.7V88 D90 L99 C103 V107 L108 L109 L121V88-L105 HydrophobicContact CB-CD1 4.4Å; V88-L105 HydrophobicContact CG1-CD1 3.56Å; D90-L105 HydrophobicContact CB-CD2 4.22Å; L99-L105 HydrophobicContact CD1-CB 4.41Å; L99-L105 HydrophobicContact CD1-CD2 3.62Å; L99-L105 HydrophobicContact CD1-CG 3.77Å; L99-L105 HydrophobicContact CD2-CD2 3.82Å; L99-L105 HydrophobicContact CG-CD2 4.4Å; C103-L105 PolarHBondContact O-N 3.27Å; C103-L105 PolarHBondContact SG-N 3.39Å; L105-V107 VanDerWaalsContact C-N 3.31Å; L105-V107 PolarHBondContact O-N 3.16Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-L108 VanDerWaalsContact O-N 3.13Å; L105-L109 HydrophobicContact CD1-CD1 3.87Å; L105-L109 HydrophobicContact CD1-CD2 4.3Å; L105-L109 HydrophobicContact CD1-CG 3.82Å; L105-L109 HydrophobicContact CG-CD1 3.89Å; L105-L109 HydrophobicContact CG-CG 4.3Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-L121 HydrophobicContact CD1-CD1 4.36Å; L105-L121 HydrophobicContact CD2-CD1 3.81Å; L105-L121 HydrophobicContact CD2-CD2 4.39Å
106T92Very high89.5Confident47 Ų4746.5 Ų46.529%0.28827%0.272SS..Hα-helixtrans-59.8-40.2175.5-48.80000112.2L99 S100 C103 F104 G110L99-T106 WeakPolarHBondContact CB-OG1 3.5Å; S100-T106 PolarHBondContact O-OG1 3.12Å; C103-T106 PolarHBondContact SG-N 2.75Å; C103-T106 VanDerWaalsContact SG-N 3.38Å; C103-T106 PolarHBondContact SG-OG1 2.92Å; F104-T106 PolarHBondContact O-N 3.36Å; T106-G110 PolarHBondContact O-N 3.14Å; T106-G110 VanDerWaalsContact O-N 3.08Å
107V92.5Very high89.6Confident17 Ų1747.6 Ų47.610%0.10328%0.281CS..Hα-helixtrans-65.6-41.6174.5171.50000111.6K56 L59 Q60 C103 F104 L105 K111K56-V107 HydrophobicContact CG-CB 4.47Å; K56-V107 HydrophobicContact CG-CG1 4.48Å; K56-V107 HydrophobicContact CG-CG2 4.15Å; L59-V107 HydrophobicContact CB-CG1 4.05Å; Q60-V107 HydrophobicContact CG-CB 4.42Å; Q60-V107 HydrophobicContact CG-CG1 3.72Å; Q60-V107 HydrophobicContact CG-CG2 3.73Å; C103-V107 PolarHBondContact O-N 3.42Å; F104-V107 WeakPolarHBondContact O-CB 3.4Å; F104-V107 PolarHBondContact O-N 3.42Å; L105-V107 VanDerWaalsContact C-N 3.31Å; L105-V107 PolarHBondContact O-N 3.16Å; V107-K111 VanDerWaalsContact O-CG 3.24Å; V107-K111 WeakPolarHBondContact O-CG 3.11Å; V107-K111 PolarHBondContact O-N 2.83Å
108L93.8Very high89.9Confident0 Ų044 Ų440%026%0.261CS..Hα-helixtrans-65.7-51.4179.9175.558.9000111.2I30 I49 I66 V88 F104 L105 G110 K111 L112I30-L108 HydrophobicContact CG2-CD2 4.16Å; I49-L108 HydrophobicContact CD1-CD1 4.24Å; I49-L108 HydrophobicContact CG2-CD1 4.37Å; I66-L108 HydrophobicContact CD1-CD1 3.52Å; I66-L108 HydrophobicContact CG1-CD1 4.49Å; V88-L108 HydrophobicContact CG1-CD2 3.9Å; F104-L108 HydrophobicContact CE1-CB 4.28Å; F104-L108 HydrophobicContact CE1-CD2 3.87Å; F104-L108 HydrophobicContact CZ-CB 4.47Å; F104-L108 HydrophobicContact CZ-CD2 4.41Å; F104-L108 WeakPolarHBondContact O-CB 3.28Å; F104-L108 PolarHBondContact O-N 3.09Å; L105-L108 PolarHBondContact O-N 2.97Å; L105-L108 VanDerWaalsContact O-N 3.13Å; L108-G110 PolarHBondContact O-N 3.27Å; L108-K111 PolarHBondContact O-N 2.68Å; L108-K111 VanDerWaalsContact O-N 3.1Å; L108-L112 HydrophobicContact CD1-CD1 3.95Å; L108-L112 HydrophobicContact CD1-CG 4.24Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.03Å
109L93.5Very high90.4Very high4 Ų440.1 Ų40.12%0.02123%0.234CC..Hα-helixtrans-55.4-53.1176.5-68.9172.2000111T8 V88 L99 L105 K111 L112 E113 V119T8-L109 HydrophobicContact CG2-CD1 4.07Å; T8-L109 HydrophobicContact CG2-CD2 3.77Å; T8-L109 HydrophobicContact CG2-CG 4.45Å; V88-L109 HydrophobicContact CB-CD2 4.04Å; V88-L109 HydrophobicContact CG2-CD2 3.81Å; L99-L109 HydrophobicContact CD1-CD1 4.08Å; L105-L109 HydrophobicContact CD1-CD1 3.87Å; L105-L109 HydrophobicContact CD1-CD2 4.3Å; L105-L109 HydrophobicContact CD1-CG 3.82Å; L105-L109 HydrophobicContact CG-CD1 3.89Å; L105-L109 HydrophobicContact CG-CG 4.3Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 VanDerWaalsContact O-CG 3.32Å; L105-L109 WeakPolarHBondContact O-CG 3.38Å; L105-L109 PolarHBondContact O-N 3.41Å; L109-K111 PolarHBondContact O-N 3.34Å; L109-L112 PolarHBondContact O-N 2.83Å; L109-E113 WeakPolarHBondContact O-CG 3.34Å; L109-E113 PolarHBondContact O-N 2.88Å; L109-V119 HydrophobicContact CD2-CG1 3.89Å
110G92.2Very high90.9Very high21 Ų2139.6 Ų39.622%0.21623%0.23CC..Hα-helixtrans-66.3-0.1178.600000116.1T106 L108 K114T106-G110 PolarHBondContact O-N 3.14Å; T106-G110 VanDerWaalsContact O-N 3.08Å; L108-G110 PolarHBondContact O-N 3.27Å; G110-K114 VanDerWaalsContact O-CE 3.3Å; G110-K114 WeakPolarHBondContact O-CE 3.25Å
111K92.8Very high91.3Very high27 Ų2736 Ų3612%0.11720%0.204CC..Hα-helixtrans-103.9-35.4166.4-65.3-72.3175.7168.90111.8L59 D62 I66 V107 L108 L109 K114 N115L59-K111 WeakPolarHBondContact O-CE 3.47Å; L59-K111 PolarHBondContact O-NZ 2.77Å; D62-K111 IonicContact OD1-NZ 2.96Å; D62-K111 PolarHBondContact OD1-NZ 3.36Å; D62-K111 IonicContact OD2-NZ 2.68Å; D62-K111 PolarHBondContact OD2-NZ 2.82Å; I66-K111 HydrophobicContact CB-CB 4.27Å; I66-K111 HydrophobicContact CG2-CB 4.47Å; V107-K111 VanDerWaalsContact O-CG 3.24Å; V107-K111 WeakPolarHBondContact O-CG 3.11Å; V107-K111 PolarHBondContact O-N 2.83Å; L108-K111 PolarHBondContact O-N 2.68Å; L108-K111 VanDerWaalsContact O-N 3.1Å; L109-K111 PolarHBondContact O-N 3.34Å; K111-K114 PolarHBondContact O-N 2.85Å; K111-N115 PolarHBondContact O-ND2 2.93Å
112L93.3Very high92Very high0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-66.1-44.1173.6-66.6166.6000111.5I30 I66 I70 V86 V88 L108 L109 K114 N115 F116 V119I30-L112 HydrophobicContact CD1-CD1 3.95Å; I30-L112 HydrophobicContact CD1-CD2 3.97Å; I66-L112 HydrophobicContact CD1-CD2 4.23Å; I66-L112 HydrophobicContact CG1-CD2 3.57Å; I66-L112 HydrophobicContact CG1-CG 4.13Å; I70-L112 HydrophobicContact CD1-CD2 4.02Å; V86-L112 HydrophobicContact CG1-CD1 4.08Å; V86-L112 HydrophobicContact CG1-CD2 4.26Å; V88-L112 HydrophobicContact CG2-CD1 3.43Å; V88-L112 VanDerWaalsContact CG2-CD1 3.43Å; L108-L112 HydrophobicContact CD1-CD1 3.95Å; L108-L112 HydrophobicContact CD1-CG 4.24Å; L108-L112 HydrophobicContact CG-CD1 3.9Å; L108-L112 WeakPolarHBondContact O-CG 3.49Å; L108-L112 PolarHBondContact O-N 3.03Å; L109-L112 PolarHBondContact O-N 2.83Å; L112-K114 PolarHBondContact O-N 2.84Å; L112-N115 PolarHBondContact O-N 2.96Å; L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.96Å; L112-F116 HydrophobicContact CD2-CE2 3.67Å; L112-F116 WeakPolarHBondContact O-CD2 3.46Å; L112-F116 PolarHBondContact O-N 3.25Å; L112-V119 HydrophobicContact CB-CG1 4.09Å; L112-V119 HydrophobicContact CB-CG2 4.01Å
113E92.5Very high92.6Very high48 Ų4827.9 Ų27.922%0.22416%0.155CC..THydrogen-bonded Turntrans-55.2-21176.4-68.4174160.100113.5I6 T8 L109 V119I6-E113 VanDerWaalsContact O-CG 3.27Å; I6-E113 WeakPolarHBondContact O-CG 3.32Å; T8-E113 WeakPolarHBondContact CB-OE1 3.37Å; T8-E113 PolarHBondContact N-OE1 3.32Å; T8-E113 PolarHBondContact OG1-OE1 3.44Å; L109-E113 WeakPolarHBondContact O-CG 3.34Å; L109-E113 PolarHBondContact O-N 2.88Å; E113-V119 HydrophobicContact CG-CB 4.41Å; E113-V119 HydrophobicContact CG-CG2 4.47Å
114K90.4Very high92.8Very high156 Ų15626.1 Ų26.168%0.67814%0.143SC*.THydrogen-bonded Turntrans-92.6-6.9178.8-58.5-173.9-179.5-170.40114.3G110 K111 L112G110-K114 VanDerWaalsContact O-CE 3.3Å; G110-K114 WeakPolarHBondContact O-CE 3.25Å; K111-K114 PolarHBondContact O-N 2.85Å; L112-K114 PolarHBondContact O-N 2.84Å
115N88.7Confident93Very high66 Ų6625.1 Ų25.135%0.35314%0.139SC..THydrogen-bonded Turntrans-124.9-17.9-174.4-71.5-96.6000112.7I66 C82 K111 L112I66-N115 HydrophobicContact CG2-CB 4.2Å; I66-N115 WeakPolarHBondContact CG2-ND2 3.41Å; C82-N115 WeakPolarHBondContact CA-O 3.5Å; C82-N115 WeakPolarHBondContact CB-O 3.47Å; K111-N115 PolarHBondContact O-ND2 2.93Å; L112-N115 PolarHBondContact O-N 2.96Å
116F91.3Very high93.1Very high5 Ų525.4 Ų25.42%0.02214%0.14CC..  trans-132.6142.5-175.7-61.1-89.7000111.7L28 I70 I80 C82 Q84 V86 L112 S118 V119L28-F116 HydrophobicContact CD2-CE1 3.98Å; L28-F116 HydrophobicContact CD2-CE2 4.38Å; L28-F116 HydrophobicContact CD2-CZ 3.64Å; I70-F116 HydrophobicContact CD1-CE2 4.03Å; I70-F116 HydrophobicContact CD1-CZ 4Å; I80-F116 HydrophobicContact CG2-CE1 3.52Å; I80-F116 HydrophobicContact CG2-CZ 3.4Å; C82-F116 CarbonylContact O-C 3.52Å; C82-F116 WeakPolarHBondContact O-CA 3.5Å; Q84-F116 HydrophobicContact CB-CD1 4.38Å; Q84-F116 HydrophobicContact CB-CE1 4.42Å; V86-F116 HydrophobicContact CG2-CB 3.71Å; V86-F116 HydrophobicContact CG2-CD1 3.4Å; V86-F116 VanDerWaalsContact CG2-CD1 3.4Å; V86-F116 HydrophobicContact CG2-CD2 3.71Å; V86-F116 HydrophobicContact CG2-CE1 3.82Å; V86-F116 HydrophobicContact CG2-CE2 4.12Å; V86-F116 HydrophobicContact CG2-CG 3.33Å; V86-F116 HydrophobicContact CG2-CZ 4.15Å; L112-F116 HydrophobicContact CB-CD2 4.38Å; L112-F116 HydrophobicContact CD2-CD2 3.96Å; L112-F116 HydrophobicContact CD2-CE2 3.67Å; L112-F116 WeakPolarHBondContact O-CD2 3.46Å; L112-F116 PolarHBondContact O-N 3.25Å; F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.4Å; F116-V119 HydrophobicContact CB-CG2 4.03Å
117S88.9Confident93.2Very high55 Ų5525.1 Ų25.139%0.38514%0.142SC..SBendtrans-78-8.6-179.762.20000114.3I6 C82I6-S117 WeakPolarHBondContact CG2-O 3.45Å; C82-S117 PolarHBondContact O-N 3.35Å; C82-S117 PolarHBondContact O-OG 3.16Å
118S91.1Very high93.4Very high28 Ų2828.1 Ų28.120%0.19616%0.155CC..EExtended strand (participates in β ladder)trans-149.1104-172.8-58.10000109.3V86 F116V86-S118 PolarHBondContact N-O 2.86Å; F116-S118 VanDerWaalsContact C-N 3.27Å; F116-S118 PolarHBondContact O-N 3.4Å
119V94.9Very high93.5Very high1 Ų128.2 Ų28.21%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-124.7129.6-179.5-175.60000109.4T8 Q9 V86 L109 L112 E113 F116T8-V119 WeakPolarHBondContact CA-O 3.47Å; T8-V119 HydrophobicContact CG2-CG1 4.45Å; Q9-V119 PolarHBondContact N-O 3.36Å; V86-V119 HydrophobicContact CB-CG2 4.38Å; V86-V119 CarbonylContact O-C 3.11Å; V86-V119 WeakPolarHBondContact O-CA 3.44Å; L109-V119 HydrophobicContact CD2-CG1 3.89Å; L112-V119 HydrophobicContact CB-CG1 4.09Å; L112-V119 HydrophobicContact CB-CG2 4.01Å; E113-V119 HydrophobicContact CG-CB 4.41Å; E113-V119 HydrophobicContact CG-CG2 4.47Å; F116-V119 HydrophobicContact CB-CG2 4.03Å
120Y95.4Very high93.5Very high17 Ų1729.5 Ų29.57%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-126.2141.8-176-63.6-79.7000111.5Q9 I11 E85 V86 V87 V88Q9-Y120 HydrophobicContact CB-CD1 3.57Å; Q9-Y120 HydrophobicContact CB-CE1 3.55Å; Q9-Y120 HydrophobicContact CG-CE1 4.28Å; Q9-Y120 CarbonylContact O-C 3.42Å; Q9-Y120 VanDerWaalsContact O-CA 3.24Å; Q9-Y120 WeakPolarHBondContact O-CA 3.35Å; Q9-Y120 VanDerWaalsContact OE1-CE1 3.32Å; I11-Y120 HydrophobicContact CB-CD1 4.17Å; I11-Y120 HydrophobicContact CB-CG 4.3Å; E85-Y120 HydrophobicContact CB-CE2 4.46Å; E85-Y120 HydrophobicContact CG-CE2 4.38Å; V86-Y120 PolarHBondContact O-N 3.13Å; V87-Y120 HydrophobicContact CG2-CD2 4.3Å; V88-Y120 PolarHBondContact N-O 2.63Å
121L95.8Very high93.5Very high0 Ų033.3 Ų33.30%019%0.189CC..EExtended strand (participates in β ladder)trans-101.5127.3163.7173.961.6000109.2T8 Q9 L10 I11 V88 V96 L99 L105 S123T8-L121 HydrophobicContact CG2-CB 3.82Å; Q9-L121 PolarHBondContact O-N 2.87Å; L10-L121 WeakPolarHBondContact CA-O 3.45Å; L10-L121 HydrophobicContact CD2-CB 4.09Å; L10-L121 HydrophobicContact CD2-CD2 4.21Å; L10-L121 HydrophobicContact CD2-CG 4.17Å; I11-L121 PolarHBondContact N-O 3.24Å; V88-L121 WeakPolarHBondContact O-CA 3.34Å; V96-L121 HydrophobicContact CG2-CB 4.1Å; V96-L121 HydrophobicContact CG2-CD2 3.76Å; L99-L121 HydrophobicContact CD1-CD2 4.2Å; L105-L121 HydrophobicContact CD1-CD1 4.36Å; L105-L121 HydrophobicContact CD2-CD1 3.81Å; L105-L121 HydrophobicContact CD2-CD2 4.39Å; L121-S123 PolarHBondContact O-N 3.42Å
122L96.8Very high93.6Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-70.5110.1174.2-177.759.8000110.5I11 L16 I43 V87 V88 Y89 G124 G125 F129I11-L122 HydrophobicContact CG2-CB 4.3Å; I11-L122 HydrophobicContact CG2-CD1 4.17Å; I11-L122 WeakPolarHBondContact O-CA 3.46Å; L16-L122 HydrophobicContact CB-CD1 4.26Å; L16-L122 HydrophobicContact CD2-CD1 3.86Å; L16-L122 HydrophobicContact CD2-CD2 3.73Å; L16-L122 HydrophobicContact CD2-CG 4.37Å; I43-L122 HydrophobicContact CD1-CD2 3.71Å; V87-L122 HydrophobicContact CG1-CB 4.36Å; V88-L122 PolarHBondContact O-N 3.26Å; Y89-L122 HydrophobicContact CD1-CD2 4.47Å; Y89-L122 HydrophobicContact CG-CD2 4.14Å; L122-G124 PolarHBondContact O-N 3.23Å; L122-G125 PolarHBondContact O-N 3.22Å; L122-F129 HydrophobicContact CD1-CD2 4.42Å; L122-F129 HydrophobicContact CD2-CB 3.96Å; L122-F129 HydrophobicContact CD2-CD2 4.14Å; L122-F129 HydrophobicContact CD2-CG 4.25Å
123S95.3Very high93.6Very high25 Ų2537.7 Ų37.718%0.17522%0.216CC..THydrogen-bonded Turntrans-66.7129.5177.7-1660000110.4I11 K94 L121 G125I11-S123 PolarHBondContact O-N 3.05Å; K94-S123 PolarHBondContact O-OG 2.97Å; L121-S123 PolarHBondContact O-N 3.42Å; S123-G125 VanDerWaalsContact C-N 3.26Å
124G92.9Very high93.5Very high2 Ų238.2 Ų38.22%0.02122%0.224CC..THydrogen-bonded Turntrans84.4-4.7-173.600000114S92 S93 L122 E128S92-G124 WeakPolarHBondContact CA-O 3.47Å; S93-G124 PolarHBondContact O-N 2.91Å; L122-G124 PolarHBondContact O-N 3.23Å; G124-E128 WeakPolarHBondContact O-CB 3.34Å; G124-E128 PolarHBondContact O-N 3.41Å
125G95.4Very high93.4Very high0 Ų033.7 Ų33.70%022%0.221CC..Hα-helixtrans54.2-154.7177.400000114.2D90 L122 S123 A127 F129D90-G125 WeakPolarHBondContact O-CA 3.24Å; L122-G125 PolarHBondContact O-N 3.22Å; S123-G125 VanDerWaalsContact C-N 3.26Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.28Å; G125-F129 PolarHBondContact O-N 2.9Å
126F96.1Very high93.6Very high14 Ų1432.9 Ų32.96%0.06122%0.216CC..Hα-helixtrans-64.3-34.7178.6-175.1-101.8000113.4R33 S41 H42 I43 Y89 D90 Q91 E128 S130 C137R33-F126 VanDerWaalsContact NH1-CG 3.34Å; S41-F126 WeakPolarHBondContact O-CZ 3.43Å; H42-F126 VanDerWaalsContact C-CE2 3.49Å; I43-F126 HydrophobicContact CG1-CD2 3.95Å; I43-F126 HydrophobicContact CG1-CE2 4.16Å; Y89-F126 HydrophobicContact CD2-CB 3.86Å; Y89-F126 HydrophobicContact CD2-CD2 4.46Å; Y89-F126 HydrophobicContact CE2-CB 3.93Å; Y89-F126 AromaticContact CE2-CD2 3.8Å; Y89-F126 HydrophobicContact CE2-CD2 3.8Å; Y89-F126 HydrophobicContact CE2-CG 4.25Å; D90-F126 PolarHBondContact O-N 3.41Å; Q91-F126 PolarHBondContact O-N 3.19Å; F126-E128 PolarHBondContact O-N 3.14Å; F126-S130 WeakPolarHBondContact CE1-OG 3.42Å; F126-S130 VanDerWaalsContact O-CB 3.29Å; F126-S130 WeakPolarHBondContact O-CB 3.49Å; F126-S130 PolarHBondContact O-N 3.08Å; F126-S130 PolarHBondContact O-OG 2.99Å; F126-C137 HydrophobicContact CE2-CB 4.49Å
127A94.3Very high93.6Very high42 Ų4233.4 Ų33.435%0.34722%0.221SC..Hα-helixtrans-63.3-42.3-177.300000112.4Q91 G125 S131Q91-A127 WeakPolarHBondContact O-CB 3.4Å; Q91-A127 PolarHBondContact O-N 2.86Å; G125-A127 VanDerWaalsContact C-N 3.34Å; G125-A127 PolarHBondContact O-N 3.28Å; A127-S131 WeakPolarHBondContact O-CB 3.38Å; A127-S131 PolarHBondContact O-N 3.48Å
128E94.9Very high93.5Very high80 Ų8034.2 Ų34.237%0.37422%0.219SC..Hα-helixtrans-74.5-46.5178.4-156.3147.213300110.6K94 G124 F126 S130 S131 S132K94-E128 VanDerWaalsContact NZ-CD 3.3Å; K94-E128 IonicContact NZ-OE1 2.83Å; K94-E128 PolarHBondContact NZ-OE1 3.04Å; K94-E128 IonicContact NZ-OE2 2.74Å; K94-E128 PolarHBondContact NZ-OE2 3Å; G124-E128 WeakPolarHBondContact O-CB 3.34Å; G124-E128 PolarHBondContact O-N 3.41Å; F126-E128 PolarHBondContact O-N 3.14Å; E128-S130 PolarHBondContact O-N 3.29Å; E128-S131 PolarHBondContact O-N 3.04Å; E128-S132 PolarHBondContact O-N 3.17Å; E128-S132 VanDerWaalsContact O-N 3.12Å; E128-S132 PolarHBondContact O-OG 3.49Å
129F96.2Very high92.6Very high1 Ų134.8 Ų34.80%0.00423%0.228CC..Hα-helixtrans-60.8-47.5179.9-173.6-82000112.9A13 L16 V17 L20 I43 L122 G125 S131 S132 F133 L136A13-F129 HydrophobicContact CB-CB 4.46Å; A13-F129 HydrophobicContact CB-CD2 3.72Å; A13-F129 HydrophobicContact CB-CE2 4.45Å; A13-F129 HydrophobicContact CB-CG 4.49Å; L16-F129 HydrophobicContact CB-CE2 4.2Å; L16-F129 HydrophobicContact CD2-CD2 3.89Å; L16-F129 HydrophobicContact CD2-CE2 3.67Å; L16-F129 HydrophobicContact CD2-CZ 4.42Å; L16-F129 HydrophobicContact CG-CE2 3.89Å; V17-F129 HydrophobicContact CG2-CE2 3.82Å; V17-F129 HydrophobicContact CG2-CZ 3.98Å; L20-F129 HydrophobicContact CD1-CZ 4.14Å; I43-F129 HydrophobicContact CB-CE1 4.33Å; I43-F129 HydrophobicContact CD1-CB 4.2Å; I43-F129 HydrophobicContact CD1-CD1 3.53Å; I43-F129 HydrophobicContact CD1-CD2 4.05Å; I43-F129 HydrophobicContact CD1-CE1 3.86Å; I43-F129 HydrophobicContact CD1-CE2 4.35Å; I43-F129 HydrophobicContact CD1-CG 3.64Å; I43-F129 HydrophobicContact CD1-CZ 4.26Å; I43-F129 HydrophobicContact CG1-CD1 3.63Å; I43-F129 HydrophobicContact CG1-CE1 3.83Å; I43-F129 HydrophobicContact CG1-CG 4.25Å; I43-F129 HydrophobicContact CG2-CD1 4.34Å; I43-F129 HydrophobicContact CG2-CE1 3.65Å; I43-F129 HydrophobicContact CG2-CZ 3.91Å; L122-F129 HydrophobicContact CD1-CD2 4.42Å; L122-F129 HydrophobicContact CD2-CB 3.96Å; L122-F129 HydrophobicContact CD2-CD2 4.14Å; L122-F129 HydrophobicContact CD2-CG 4.25Å; G125-F129 PolarHBondContact O-N 2.9Å; F129-S131 VanDerWaalsContact C-N 3.25Å; F129-S131 PolarHBondContact O-N 3.21Å; F129-S132 PolarHBondContact O-N 3.5Å; F129-F133 HydrophobicContact CD1-CB 4.37Å; F129-F133 HydrophobicContact CD2-CD2 4.23Å; F129-F133 HydrophobicContact CE1-CB 3.96Å; F129-F133 HydrophobicContact CE2-CD2 4.15Å; F129-F133 HydrophobicContact CZ-CB 4.04Å; F129-F133 WeakPolarHBondContact O-CA 3.35Å; F129-F133 PolarHBondContact O-N 3.23Å; F129-L136 HydrophobicContact CE1-CB 4.01Å; F129-L136 HydrophobicContact CZ-CB 4.11Å; F129-L136 HydrophobicContact CZ-CD1 4.43Å
130S94.5Very high90.7Very high32 Ų3243.9 Ų43.922%0.22427%0.268CS..Hα-helixtrans-71.4-19-179.361.70000113.7F126 E128 P134F126-S130 WeakPolarHBondContact CE1-OG 3.42Å; F126-S130 VanDerWaalsContact O-CB 3.29Å; F126-S130 WeakPolarHBondContact O-CB 3.49Å; F126-S130 PolarHBondContact O-N 3.08Å; F126-S130 PolarHBondContact O-OG 2.99Å; E128-S130 PolarHBondContact O-N 3.29Å; S130-P134 WeakPolarHBondContact O-CA 3.4Å; S130-P134 WeakPolarHBondContact O-CB 3.41Å
131S92Very high88.5Confident101 Ų10146.4 Ų46.471%0.70629%0.288SS*.Hα-helixtrans-77.3-38171.3-1710000112.3A127 E128 F129A127-S131 WeakPolarHBondContact O-CB 3.38Å; A127-S131 PolarHBondContact O-N 3.48Å; E128-S131 PolarHBondContact O-N 3.04Å; F129-S131 VanDerWaalsContact C-N 3.25Å; F129-S131 PolarHBondContact O-N 3.21Å
132S94.1Very high85.7Confident65 Ų6552.6 Ų52.646%0.45533%0.326SS..Hα-helixtrans-84.4-35.8179.6-62.50000113.2E128 F129 P134E128-S132 PolarHBondContact O-N 3.17Å; E128-S132 VanDerWaalsContact O-N 3.12Å; E128-S132 PolarHBondContact O-OG 3.49Å; F129-S132 PolarHBondContact O-N 3.5Å; S132-P134 VanDerWaalsContact C-CD 3.43Å
133F93.6Very high83Confident53 Ų5360.9 Ų60.923%0.23237%0.37CS..  trans-130.154.4-171.9-56.4-72.6000113A13 E14 V17 F129 G135 L136A13-F133 HydrophobicContact CB-CD2 3.93Å; A13-F133 HydrophobicContact CB-CE2 3.64Å; E14-F133 HydrophobicContact CG-CZ 4.18Å; V17-F133 HydrophobicContact CG2-CB 4.3Å; V17-F133 HydrophobicContact CG2-CD1 3.7Å; V17-F133 HydrophobicContact CG2-CD2 3.74Å; V17-F133 HydrophobicContact CG2-CE1 3.9Å; V17-F133 HydrophobicContact CG2-CE2 3.95Å; V17-F133 HydrophobicContact CG2-CG 3.62Å; V17-F133 HydrophobicContact CG2-CZ 4.02Å; F129-F133 HydrophobicContact CD1-CB 4.37Å; F129-F133 HydrophobicContact CD2-CD2 4.23Å; F129-F133 HydrophobicContact CE1-CB 3.96Å; F129-F133 HydrophobicContact CE2-CD2 4.15Å; F129-F133 HydrophobicContact CZ-CB 4.04Å; F129-F133 WeakPolarHBondContact O-CA 3.35Å; F129-F133 PolarHBondContact O-N 3.23Å; F133-G135 PolarHBondContact O-N 3.45Å; F133-G135 VanDerWaalsContact O-N 3.13Å; F133-L136 HydrophobicContact CB-CB 4.41Å; F133-L136 HydrophobicContact CB-CD1 4.3Å; F133-L136 PolarHBondContact O-N 3.13Å
134P89.8Confident80.1Confident60 Ų6065.5 Ų65.539%0.3940%0.397SS..G310 helixtrans-60.3-27-176.124.4-34.9000113.9S130 S132 L136 C137S130-P134 WeakPolarHBondContact O-CA 3.4Å; S130-P134 WeakPolarHBondContact O-CB 3.41Å; S132-P134 VanDerWaalsContact C-CD 3.43Å; P134-L136 PolarHBondContact O-N 2.67Å; P134-C137 PolarHBondContact O-N 3.04Å
135G89.4Confident77.7Confident61 Ų6170.6 Ų70.663%0.62943%0.429SS*.G310 helixtrans-71.6-9.2175.400000114.9F133F133-G135 PolarHBondContact O-N 3.45Å; F133-G135 VanDerWaalsContact O-N 3.13Å
136L92.3Very high75Confident48 Ų4877.1 Ų77.125%0.25147%0.469SS..G310 helixtrans-106.223.4176.7-63.5175.8000112.4V17 I43 L44 F129 F133 P134V17-L136 HydrophobicContact CB-CD1 4.24Å; V17-L136 HydrophobicContact CG1-CD1 3.77Å; V17-L136 HydrophobicContact CG2-CD1 3.6Å; I43-L136 WeakPolarHBondContact CG2-O 3.18Å; L44-L136 HydrophobicContact CD1-CB 4.46Å; L44-L136 HydrophobicContact CD1-CD2 4.07Å; L44-L136 PolarHBondContact N-O 3.14Å; F129-L136 HydrophobicContact CE1-CB 4.01Å; F129-L136 HydrophobicContact CZ-CB 4.11Å; F129-L136 HydrophobicContact CZ-CD1 4.43Å; F133-L136 HydrophobicContact CB-CB 4.41Å; F133-L136 HydrophobicContact CB-CD1 4.3Å; F133-L136 PolarHBondContact O-N 3.13Å; P134-L136 PolarHBondContact O-N 2.67Å
137C92.6Very high71.9Confident17 Ų1782.1 Ų82.112%0.11551%0.505CS..EExtended strand (participates in β ladder)trans-114129.8175.4-61.40000112.6H42 F126 P134 G139H42-C137 CarbonylContact O-C 3.57Å; H42-C137 VanDerWaalsContact O-C 3.27Å; H42-C137 WeakPolarHBondContact O-CA 3.31Å; H42-C137 VanDerWaalsContact O-CB 3.24Å; H42-C137 WeakPolarHBondContact O-CB 3.44Å; F126-C137 HydrophobicContact CE2-CB 4.49Å; P134-C137 PolarHBondContact O-N 3.04Å; C137-G139 PolarHBondContact O-N 3.37Å
138E85.6Confident69.6Low72 Ų7288.9 Ų88.934%0.33653%0.533SS..EExtended strand (participates in β ladder)trans-76110.8165.5-164.3178.3145.900108.8S41 H42 L44 K75S41-E138 WeakPolarHBondContact CA-O 3.45Å; H42-E138 IonicContact CE1-OE1 3.67Å; H42-E138 PolarHBondContact N-O 3.2Å; H42-E138 PolarHBondContact ND1-O 3.34Å; H42-E138 IonicContact NE2-OE1 3.53Å; H42-E138 IonicContact NE2-OE2 3.19Å; H42-E138 PolarHBondContact NE2-OE2 3.4Å; H42-E138 PolarHBondContact O-N 3.25Å; L44-E138 HydrophobicContact CD2-CB 4.06Å; K75-E138 IonicContact NZ-OE1 2.72Å; K75-E138 PolarHBondContact NZ-OE1 3.05Å; K75-E138 IonicContact NZ-OE2 3.51Å; K75-E138 PolarHBondContact NZ-OE2 2.97Å
139G73.3Confident67.2Low39 Ų3989.6 Ų89.640%0.40255%0.547SS..EExtended strand (participates in β ladder)trans163.4179.5-176.600000112.4C137 S141C137-G139 PolarHBondContact O-N 3.37Å; G139-S141 VanDerWaalsContact C-N 3.32Å; G139-S141 PolarHBondContact O-N 3.08Å
140K53.9Low64.4Low192 Ų19297.2 Ų97.284%0.83558%0.583SS**SBendtrans-84.270.1-179.5-69.8-172.5178.2-177.80112.3
141S48.8Very low62.2Low71 Ų71100.2 Ų100.250%0.49760%0.601SS.*  trans-144.787.9169.3-162.60000113G139G139-S141 VanDerWaalsContact C-N 3.32Å; G139-S141 PolarHBondContact O-N 3.08Å
142T38.5Very low59.8Low130 Ų130100.9 Ų100.980%0.79861%0.605SS**  trans-148.6139.2153.4-25.20000110.4V144T142-V144 PolarHBondContact O-N 2.92Å; T142-V144 VanDerWaalsContact O-N 3.16Å
143L40.6Very low57.4Low174 Ų174104 Ų10491%0.91162%0.616SS**  trans-74.1101.1-166.9-63.3162.4000111.6
144V32.9Very low54.7Low122 Ų122107.3 Ų107.374%0.73964%0.642SS**  trans-124.1113.4169.3-178.20000109.4T142T142-V144 PolarHBondContact O-N 2.92Å; T142-V144 VanDerWaalsContact O-N 3.16Å
145P43.2Very low52.6Low108 Ų108108 Ų10870%0.70165%0.645SS**  trans-68.3155.5169.329.7-33.4000110.5
146T39.1Very low50.6Low138 Ų138109 Ų10985%0.84764%0.642SS**  trans61.374-177.534.70000116.4
147C31.5Very low48.8Very low119 Ų119108 Ų10880%0.80464%0.638SS**  -150.5137.8118.5-105.60000109.7S149C147-S149 PolarHBondContact O-N 2.98Å
148I44.3Very low47.7Very low183 Ų183114.7 Ų114.794%0.93867%0.67SS**  trans-84.680.6-171.4-55.6178000110.3
149S44.3Very low47.9Very low96 Ų96111.7 Ų111.767%0.67166%0.659SS**  trans-150.673.7169.663.80000111.1C147 P151C147-S149 PolarHBondContact O-N 2.98Å; S149-P151 WeakPolarHBondContact O-CD 3.34Å
150Q39.3Very low49Very low161 Ų161110.5 Ų110.575%0.75264%0.644SS**  trans-62.2125.4179.7-70.3179.2-32.400112C152Q150-C152 PolarHBondContact O-N 2.87Å
151P46.4Very low51.1Low95 Ų95102.3 Ų102.362%0.61761%0.61SS**  trans-82.9104.9162.332.4-28.7000109.7S149 L153S149-P151 WeakPolarHBondContact O-CD 3.34Å; P151-L153 PolarHBondContact O-N 3.21Å
152C43.4Very low53.5Low115 Ų115106.2 Ų106.278%0.77761%0.614SS**  trans42.462.2148.1-55.10000118.1Q150Q150-C152 PolarHBondContact O-N 2.87Å
153L42.1Very low56.3Low131 Ų131100.2 Ų100.269%0.68658%0.577SS**  trans-54.1151.6131.5-76.9176.2000107.8P151 V155P151-L153 PolarHBondContact O-N 3.21Å; L153-V155 PolarHBondContact O-N 3.11Å
154P38.3Very low59Low121 Ų12193.5 Ų93.579%0.78654%0.542SS*.  trans-66.483.1163.330.1-33.4000107.9S156P154-S156 PolarHBondContact O-N 3.41Å
155V45.4Very low62.1Low74 Ų7492.3 Ų92.345%0.44854%0.536SS..  trans-63.292.8163.2-177.80000105.1L153 N157L153-V155 PolarHBondContact O-N 3.11Å; V155-N157 PolarHBondContact O-N 3.37Å
156S46.8Very low64.7Low82 Ų8288.4 Ų88.457%0.57351%0.509SS*.  trans-52.197.6153.238.90000105.5P154 I158P154-S156 PolarHBondContact O-N 3.41Å; S156-I158 WeakPolarHBondContact O-CG1 3.34Å; S156-I158 PolarHBondContact O-N 3.03Å
157N54.5Low67.5Low29 Ų2981.9 Ų81.916%0.15547%0.469CS..  trans-62.296.7165.6-74.9-40.9000105.1V155 G159 T281V155-N157 PolarHBondContact O-N 3.37Å; N157-G159 PolarHBondContact O-N 3.19Å; N157-T281 PolarHBondContact ND2-OG1 2.92Å; N157-T281 VanDerWaalsContact ND2-OG1 3.15Å
158I70.8Confident70.7Confident156 Ų15676.6 Ų76.680%0.843%0.432SS*.  trans-7478.1178.9-66.9150.2000105.6S156S156-I158 WeakPolarHBondContact O-CG1 3.34Å; S156-I158 PolarHBondContact O-N 3.03Å
159G89.7Confident73.3Confident9 Ų967.9 Ų67.99%0.09339%0.387CS..SBendtrans89.4-164.1-17300000115.7N157 D174N157-G159 PolarHBondContact O-N 3.19Å; G159-D174 WeakPolarHBondContact CA-OD1 3.39Å
160P96.4Very high75.8Confident14 Ų1463.3 Ų63.39%0.09136%0.355CS..  trans-82.6142.4-174.734.5-32.2000111.2Y168 L169 D174 L180 I186 L242P160-Y168 HydrophobicContact CB-CD1 4.37Å; P160-Y168 HydrophobicContact CG-CD1 4.09Å; P160-L169 CarbonylContact C-O 3.28Å; P160-L169 WeakPolarHBondContact CA-O 3.36Å; P160-D174 HydrophobicContact CB-CB 4.13Å; P160-D174 HydrophobicContact CG-CB 4.3Å; P160-L180 HydrophobicContact CG-CD2 3.75Å; P160-I186 HydrophobicContact CG-CD1 4.22Å; P160-L242 HydrophobicContact CB-CD1 3.56Å; P160-L242 HydrophobicContact CB-CD2 4.5Å; P160-L242 HydrophobicContact CG-CD1 4.35Å
161T97.4Very high78.6Confident20 Ų2056.3 Ų56.312%0.12332%0.324CS..EExtended strand (participates in β ladder)trans-80.3124.4-179.6-49.80000110.4I163 Y168 L169 K278 R279T161-I163 HydrophobicContact CG2-CD1 3.97Å; T161-I163 PolarHBondContact O-N 2.68Å; T161-Y168 CarbonylContact O-C 3.52Å; T161-Y168 WeakPolarHBondContact O-CA 3.49Å; T161-L169 PolarHBondContact N-O 3.2Å; T161-L169 PolarHBondContact O-N 3.42Å; T161-K278 HydrophobicContact CG2-CB 3.86Å; T161-K278 WeakPolarHBondContact CG2-O 3.48Å; T161-R279 HydrophobicContact CG2-CB 4.06Å; T161-R279 WeakPolarHBondContact OG1-CD 3.18Å; T161-R279 WeakPolarHBondContact OG1-CG 3.25Å; T161-R279 PolarHBondContact OG1-NH1 3.24Å
162R98.1Very high81Confident153 Ų15354.1 Ų54.158%0.57731%0.305SS*.EExtended strand (participates in β ladder)trans-70.8113.1170.8-169.1174.868.4177-1110.6L164 Y168R162-L164 WeakPolarHBondContact CG-O 3.5Å; R162-Y168 HydrophobicContact CB-CD1 3.93Å; R162-Y168 HydrophobicContact CB-CE1 3.62Å; R162-Y168 HydrophobicContact CB-CE2 4.4Å; R162-Y168 HydrophobicContact CB-CG 4.48Å; R162-Y168 HydrophobicContact CG-CD1 4.42Å; R162-Y168 HydrophobicContact CG-CD2 4.35Å; R162-Y168 HydrophobicContact CG-CE1 4.02Å; R162-Y168 HydrophobicContact CG-CE2 3.9Å
163I98.1Very high83.5Confident4 Ų457 Ų572%0.02130%0.3CS..EExtended strand (participates in β ladder)trans-87.4-47179.2-55.4-52.4000110.6T161 L167 L169 I260 F274 V275 K278T161-I163 HydrophobicContact CG2-CD1 3.97Å; T161-I163 PolarHBondContact O-N 2.68Å; I163-L167 HydrophobicContact CB-CD2 4.43Å; I163-L167 HydrophobicContact CB-CG 4.34Å; I163-L167 HydrophobicContact CG2-CD2 4.44Å; I163-L167 PolarHBondContact N-O 2.58Å; I163-L169 HydrophobicContact CD1-CB 3.95Å; I163-L169 HydrophobicContact CD1-CD2 4.24Å; I163-L169 HydrophobicContact CG1-CB 3.66Å; I163-I260 HydrophobicContact CG2-CD1 3.99Å; I163-I260 HydrophobicContact CG2-CG1 4.25Å; I163-F274 HydrophobicContact CG2-CD1 4.42Å; I163-F274 HydrophobicContact CG2-CE1 3.95Å; I163-V275 HydrophobicContact CD1-CG1 4Å; I163-V275 HydrophobicContact CG2-CG2 4.19Å; I163-K278 HydrophobicContact CD1-CB 4.06Å; I163-K278 HydrophobicContact CD1-CD 4.13Å; I163-K278 HydrophobicContact CG2-CD 4.35Å; I163-K278 VanDerWaalsContact O-CE 3.26Å; I163-K278 WeakPolarHBondContact O-CE 3.13Å
164L97.3Very high86Confident34 Ų3451 Ų5118%0.17827%0.268CS..EExtended strand (participates in β ladder)trans-137.2168.5172.8-69171000108.9R162 H166 L167 Y259 I260 M264 F274R162-L164 WeakPolarHBondContact CG-O 3.5Å; L164-H166 PolarHBondContact O-N 3.48Å; L164-L167 HydrophobicContact CB-CB 4.15Å; L164-L167 PolarHBondContact N-O 3.19Å; L164-L167 VanDerWaalsContact N-O 3.11Å; L164-L167 PolarHBondContact O-N 3.19Å; L164-Y259 HydrophobicContact CD1-CE1 3.84Å; L164-I260 HydrophobicContact CD1-CD1 3.5Å; L164-I260 HydrophobicContact CG-CD1 3.97Å; L164-M264 HydrophobicContact CD1-SD 4.37Å; L164-M264 HydrophobicContact CD2-SD 4.18Å; L164-F274 HydrophobicContact CD2-CE1 4.27Å; L164-F274 HydrophobicContact CD2-CZ 3.92Å
165P97.3Very high88.8Confident96 Ų9645.2 Ų45.262%0.62323%0.231SC*.THydrogen-bonded Turntrans-52.2-35.4-175.9-3037.5000114.8
166H97.6Very high91.2Very high27 Ų2745.8 Ų45.813%0.12523%0.231CC..THydrogen-bonded Turntrans-104.64.2179.964.8-74.2000114.3L164 K235 R240 V241 Y259L164-H166 PolarHBondContact O-N 3.48Å; H166-K235 HydrophobicContact CB-CG 4.42Å; H166-R240 WeakPolarHBondContact O-CA 3.47Å; H166-V241 PolarHBondContact O-N 2.74Å; H166-Y259 AromaticContact NE2-CE1 3.97Å; H166-Y259 AromaticContact NE2-CZ 3.62Å; H166-Y259 PolarHBondContact NE2-OH 3.33Å
167L98.6Very high93.5Very high1 Ų145.2 Ų45.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-133.7122.9-173.3179.163.3000112.3I163 L164 I231 V241 V243 Y259I163-L167 HydrophobicContact CB-CD2 4.43Å; I163-L167 HydrophobicContact CB-CG 4.34Å; I163-L167 HydrophobicContact CG2-CD2 4.44Å; I163-L167 PolarHBondContact N-O 2.58Å; L164-L167 HydrophobicContact CB-CB 4.15Å; L164-L167 PolarHBondContact N-O 3.19Å; L164-L167 VanDerWaalsContact N-O 3.11Å; L164-L167 PolarHBondContact O-N 3.19Å; L167-I231 HydrophobicContact CD1-CD1 4.12Å; L167-I231 HydrophobicContact CD1-CG1 4.45Å; L167-I231 HydrophobicContact CD1-CG2 4.2Å; L167-V241 HydrophobicContact CD1-CB 4.47Å; L167-V243 HydrophobicContact CD1-CB 4.49Å; L167-V243 HydrophobicContact CD1-CG2 3.54Å; L167-Y259 HydrophobicContact CD2-CD1 3.39Å; L167-Y259 HydrophobicContact CD2-CE1 3.75Å; L167-Y259 HydrophobicContact CD2-CG 4.11Å
168Y98.8Very high95.4Very high8 Ų848.1 Ų48.13%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-119.4149.3178.4-74.4-107000111.2P160 T161 R162 N184 I186 R240 V241 V243P160-Y168 HydrophobicContact CB-CD1 4.37Å; P160-Y168 HydrophobicContact CG-CD1 4.09Å; T161-Y168 CarbonylContact O-C 3.52Å; T161-Y168 WeakPolarHBondContact O-CA 3.49Å; R162-Y168 HydrophobicContact CB-CD1 3.93Å; R162-Y168 HydrophobicContact CB-CE1 3.62Å; R162-Y168 HydrophobicContact CB-CE2 4.4Å; R162-Y168 HydrophobicContact CB-CG 4.48Å; R162-Y168 HydrophobicContact CG-CD1 4.42Å; R162-Y168 HydrophobicContact CG-CD2 4.35Å; R162-Y168 HydrophobicContact CG-CE1 4.02Å; R162-Y168 HydrophobicContact CG-CE2 3.9Å; Y168-N184 HydrophobicContact CE1-CB 3.95Å; Y168-N184 WeakPolarHBondContact CE1-OD1 3.42Å; Y168-N184 PolarHBondContact OH-OD1 2.95Å; Y168-N184 VanDerWaalsContact OH-OD1 3.07Å; Y168-I186 HydrophobicContact CD1-CD1 4.16Å; Y168-I186 HydrophobicContact CD2-CD1 4.28Å; Y168-I186 HydrophobicContact CD2-CG1 4.37Å; Y168-I186 HydrophobicContact CG-CD1 4Å; Y168-R240 HydrophobicContact CE2-CB 4.49Å; Y168-V241 PolarHBondContact N-O 2.81Å; Y168-V243 PolarHBondContact O-N 3.31Å
169L98.7Very high96.6Very high0 Ų045.8 Ų45.80%022%0.219CC..EExtended strand (participates in β ladder)trans-125.5121-179.9172.759000110.7P160 T161 I163 V243 S252 A253 A256 V275 R279 I282P160-L169 CarbonylContact C-O 3.28Å; P160-L169 WeakPolarHBondContact CA-O 3.36Å; T161-L169 PolarHBondContact N-O 3.2Å; T161-L169 PolarHBondContact O-N 3.42Å; I163-L169 HydrophobicContact CD1-CB 3.95Å; I163-L169 HydrophobicContact CD1-CD2 4.24Å; I163-L169 HydrophobicContact CG1-CB 3.66Å; L169-V243 WeakPolarHBondContact CA-O 3.32Å; L169-S252 WeakPolarHBondContact CD1-OG 3.39Å; L169-A253 HydrophobicContact CD2-CB 4.19Å; L169-A256 HydrophobicContact CD1-CB 4.42Å; L169-A256 HydrophobicContact CD2-CB 4.22Å; L169-V275 HydrophobicContact CD2-CG1 3.58Å; L169-R279 PolarHBondContact O-NH1 2.85Å; L169-I282 HydrophobicContact CD2-CG2 3.9Å
170G97.6Very high96.8Very high0 Ų046.4 Ų46.40%022%0.22CC..EExtended strand (participates in β ladder)trans-150.5-166.8-174.900000115.7D174 V243 H244 G248G170-D174 WeakPolarHBondContact CA-OD2 3.34Å; G170-V243 PolarHBondContact N-O 3.37Å; G170-H244 VanDerWaalsContact O-CA 3.29Å; G170-H244 WeakPolarHBondContact O-CA 3.34Å; G170-H244 WeakPolarHBondContact O-CB 3.47Å; G170-G248 WeakPolarHBondContact O-CA 3.49Å
171C96.7Very high96.8Very high13 Ų1345.9 Ų45.99%0.08822%0.216CC..  trans-117.6178.1-178.774.70000112.2R173 D174 C245 L246 A247C171-R173 VanDerWaalsContact C-N 3.28Å; C171-R173 PolarHBondContact O-N 2.98Å; C171-D174 PolarHBondContact N-OD2 3.09Å; C171-D174 PolarHBondContact O-N 2.84Å; C171-D174 PolarHBondContact SG-OD1 3.41Å; C171-D174 VanDerWaalsContact SG-OD1 3.36Å; C171-D174 PolarHBondContact SG-OD2 3.18Å; C171-C245 CarbonylContact C-O 3.58Å; C171-C245 VanDerWaalsContact C-O 3.28Å; C171-C245 WeakPolarHBondContact CA-O 3.46Å; C171-L246 WeakPolarHBondContact CB-O 3.5Å; C171-A247 WeakPolarHBondContact CB-O 3.4Å
172Q96.9Very high96.8Very high50 Ų5051.1 Ų51.123%0.23424%0.239CC..Hα-helixtrans-61.9-34.4-179.5177.7176-29.900112.8D174 V175 L176 C196 C245 L246Q172-D174 VanDerWaalsContact C-N 3.28Å; Q172-D174 PolarHBondContact O-N 2.87Å; Q172-V175 VanDerWaalsContact O-CG1 3.23Å; Q172-V175 WeakPolarHBondContact O-CG1 3.38Å; Q172-L176 HydrophobicContact CG-CD1 3.88Å; Q172-L176 HydrophobicContact CG-CG 4.46Å; Q172-L176 WeakPolarHBondContact O-CG 3.17Å; Q172-L176 PolarHBondContact O-N 3.4Å; Q172-C196 HydrophobicContact CB-CB 4.42Å; Q172-C196 HydrophobicContact CG-CB 4.17Å; Q172-C196 PolarHBondContact OE1-SG 3.49Å; Q172-C245 PolarHBondContact N-O 3.29Å; Q172-L246 HydrophobicContact CB-CD1 4.39Å; Q172-L246 PolarHBondContact N-O 3.38Å
173R95.9Very high96.7Very high175 Ų17551.2 Ų51.266%0.6625%0.246SC*.Hα-helixtrans-65.1-33.8178.2-175.3-18062.9-158.6-0.7112.2C171 N177C171-R173 VanDerWaalsContact C-N 3.28Å; C171-R173 PolarHBondContact O-N 2.98Å; R173-N177 PolarHBondContact O-N 3.47Å
174D96.2Very high96.6Very high4 Ų452.9 Ų52.92%0.02126%0.255CS..Hα-helixtrans-70.1-42.2-176.4-53.9-26.8000111G159 P160 G170 C171 Q172 L176 N177 L242G159-D174 WeakPolarHBondContact CA-OD1 3.39Å; P160-D174 HydrophobicContact CB-CB 4.13Å; P160-D174 HydrophobicContact CG-CB 4.3Å; G170-D174 WeakPolarHBondContact CA-OD2 3.34Å; C171-D174 PolarHBondContact N-OD2 3.09Å; C171-D174 PolarHBondContact O-N 2.84Å; C171-D174 PolarHBondContact SG-OD1 3.41Å; C171-D174 VanDerWaalsContact SG-OD1 3.36Å; C171-D174 PolarHBondContact SG-OD2 3.18Å; Q172-D174 VanDerWaalsContact C-N 3.28Å; Q172-D174 PolarHBondContact O-N 2.87Å; D174-L176 VanDerWaalsContact C-N 3.34Å; D174-L176 PolarHBondContact O-N 2.7Å; D174-N177 PolarHBondContact O-N 3.49Å; D174-L242 HydrophobicContact CB-CD2 4.41Å
175V96.4Very high96.6Very high1 Ų155.5 Ų55.51%0.00627%0.269CS..Hα-helixtrans-75.4-20.2-179.966.80000113.6Q172 M181 V189 P199 F201 L242Q172-V175 VanDerWaalsContact O-CG1 3.23Å; Q172-V175 WeakPolarHBondContact O-CG1 3.38Å; V175-M181 HydrophobicContact CG2-CE 4.25Å; V175-V189 HydrophobicContact CG2-CB 4.49Å; V175-V189 HydrophobicContact CG2-CG1 3.85Å; V175-V189 HydrophobicContact CG2-CG2 3.73Å; V175-P199 HydrophobicContact CG2-CG 3.84Å; V175-F201 WeakPolarHBondContact O-CZ 3.5Å; V175-L242 HydrophobicContact CB-CD2 3.72Å; V175-L242 HydrophobicContact CG2-CD2 4.21Å
176L94.9Very high96.6Very high85 Ų8551.3 Ų51.345%0.44524%0.242SC..Hα-helixtrans-86-13175.2-69.3175.2000113.2Q172 D174 K178 P197Q172-L176 HydrophobicContact CG-CD1 3.88Å; Q172-L176 HydrophobicContact CG-CG 4.46Å; Q172-L176 WeakPolarHBondContact O-CG 3.17Å; Q172-L176 PolarHBondContact O-N 3.4Å; D174-L176 VanDerWaalsContact C-N 3.34Å; D174-L176 PolarHBondContact O-N 2.7Å; L176-K178 PolarHBondContact O-N 3.26Å; L176-P197 HydrophobicContact CD2-CG 4.35Å
177N95.3Very high96.6Very high70 Ų7051.4 Ų51.437%0.37425%0.249SC..  trans-85.899.2175.6-171.9-51.4000109.9R173 D174 E179 L180 M181R173-N177 PolarHBondContact O-N 3.47Å; D174-N177 PolarHBondContact O-N 3.49Å; N177-E179 PolarHBondContact O-N 2.86Å; N177-E179 PolarHBondContact OD1-N 3.18Å; N177-L180 HydrophobicContact CB-CB 4.06Å; N177-L180 WeakPolarHBondContact OD1-CB 3.39Å; N177-L180 PolarHBondContact OD1-N 2.93Å; N177-M181 WeakPolarHBondContact O-CB 3.49Å; N177-M181 WeakPolarHBondContact O-CG 3.49Å; N177-M181 PolarHBondContact O-N 3.06Å
178K95.8Very high96.6Very high90 Ų9052.6 Ų52.639%0.39125%0.254SS..Hα-helixtrans-64.1-41.8-174.5-177.3-174.7176-170.90112L176 M181 Q182 F201L176-K178 PolarHBondContact O-N 3.26Å; K178-M181 PolarHBondContact O-N 2.84Å; K178-Q182 WeakPolarHBondContact O-CG 3.21Å; K178-Q182 PolarHBondContact O-N 3.28Å; K178-F201 HydrophobicContact CB-CD1 4.11Å; K178-F201 HydrophobicContact CB-CE1 3.7Å; K178-F201 HydrophobicContact CB-CZ 4.04Å; K178-F201 HydrophobicContact CD-CD1 4.23Å; K178-F201 HydrophobicContact CG-CD1 3.92Å; K178-F201 HydrophobicContact CG-CD2 4.49Å; K178-F201 HydrophobicContact CG-CE1 3.99Å; K178-F201 HydrophobicContact CG-CG 4.18Å; K178-F201 HydrophobicContact CG-CZ 4.31Å
179E95.2Very high96.6Very high108 Ų10852.2 Ų52.251%0.50525%0.253SS..Hα-helixtrans-64-44.9-176.9-64.960.3-131.200109.9N177 Q182 Q183N177-E179 PolarHBondContact O-N 2.86Å; N177-E179 PolarHBondContact OD1-N 3.18Å; E179-Q182 PolarHBondContact O-N 3.31Å; E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 3.48Å
180L94.4Very high96.6Very high22 Ų2252.2 Ų52.212%0.11525%0.253CS..Hα-helixtrans-68.2-38.7176.9-177.6147.2000112.4P160 N177 Q182 Q183 N184P160-L180 HydrophobicContact CG-CD2 3.75Å; N177-L180 HydrophobicContact CB-CB 4.06Å; N177-L180 WeakPolarHBondContact OD1-CB 3.39Å; N177-L180 PolarHBondContact OD1-N 2.93Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.87Å; L180-Q183 PolarHBondContact O-N 3.35Å; L180-N184 WeakPolarHBondContact O-CB 3.46Å; L180-N184 PolarHBondContact O-N 2.74Å; L180-N184 PolarHBondContact O-ND2 3.31Å
181M96.6Very high96.7Very high3 Ų352.2 Ų52.22%0.01525%0.253CS..Hα-helixtrans-61.5-39.9174.8-74.4-77.8-70.800110.9V175 N177 K178 D185 I186 V189 F201 I202 L242V175-M181 HydrophobicContact CG2-CE 4.25Å; N177-M181 WeakPolarHBondContact O-CB 3.49Å; N177-M181 WeakPolarHBondContact O-CG 3.49Å; N177-M181 PolarHBondContact O-N 3.06Å; K178-M181 PolarHBondContact O-N 2.84Å; M181-D185 PolarHBondContact O-N 2.8Å; M181-D185 VanDerWaalsContact O-N 3.16Å; M181-I186 HydrophobicContact CE-CB 3.92Å; M181-I186 HydrophobicContact CE-CG2 3.51Å; M181-I186 PolarHBondContact O-N 3.39Å; M181-I186 HydrophobicContact SD-CB 3.92Å; M181-I186 HydrophobicContact SD-CD1 3.98Å; M181-I186 HydrophobicContact SD-CG2 3.8Å; M181-V189 HydrophobicContact CE-CG2 3.63Å; M181-F201 HydrophobicContact CB-CE2 4.02Å; M181-F201 HydrophobicContact CB-CZ 4.34Å; M181-F201 HydrophobicContact CE-CE2 4.19Å; M181-F201 HydrophobicContact CG-CE2 4.12Å; M181-F201 HydrophobicContact CG-CZ 4.14Å; M181-I202 HydrophobicContact CE-CD1 4.08Å; M181-I202 HydrophobicContact CE-CG1 4.4Å; M181-L242 HydrophobicContact SD-CB 4.45Å; M181-L242 HydrophobicContact SD-CD2 3.59Å; M181-L242 VanDerWaalsContact SD-CD2 3.59Å
182Q95.9Very high96.8Very high129 Ų12951.6 Ų51.660%0.60325%0.249SC*.Hα-helixtrans-70.2-45.3174-71.6179.9-21.100112.5K178 E179 L180 N184 D185K178-Q182 WeakPolarHBondContact O-CG 3.21Å; K178-Q182 PolarHBondContact O-N 3.28Å; E179-Q182 PolarHBondContact O-N 3.31Å; L180-Q182 VanDerWaalsContact C-N 3.29Å; L180-Q182 PolarHBondContact O-N 2.87Å; Q182-N184 PolarHBondContact O-N 2.77Å; Q182-D185 PolarHBondContact O-N 3.27Å
183Q96Very high96.8Very high155 Ų15549.2 Ų49.272%0.72424%0.237SC*.Hα-helixtrans-58.1-32.9176.4-75.1166.5700113.1E179 L180E179-Q183 WeakPolarHBondContact O-CB 3.3Å; E179-Q183 WeakPolarHBondContact O-CG 3.42Å; E179-Q183 PolarHBondContact O-N 3.48Å; L180-Q183 PolarHBondContact O-N 3.35Å
184N95.8Very high96.7Very high39 Ų3944 Ų4421%0.20922%0.223CC..THydrogen-bonded Turntrans-91.9-1.4176.3-74.4-84.3000113.7Y168 L180 Q182 I186 R240Y168-N184 HydrophobicContact CE1-CB 3.95Å; Y168-N184 WeakPolarHBondContact CE1-OD1 3.42Å; Y168-N184 PolarHBondContact OH-OD1 2.95Å; Y168-N184 VanDerWaalsContact OH-OD1 3.07Å; L180-N184 WeakPolarHBondContact O-CB 3.46Å; L180-N184 PolarHBondContact O-N 2.74Å; L180-N184 PolarHBondContact O-ND2 3.31Å; Q182-N184 PolarHBondContact O-N 2.77Å; N184-I186 HydrophobicContact CB-CD1 3.61Å; N184-I186 HydrophobicContact CB-CG1 3.64Å; N184-R240 VanDerWaalsContact O-CD 3.3Å; N184-R240 WeakPolarHBondContact O-CD 3.33Å; N184-R240 PolarHBondContact O-NH1 2.66Å
185D97.1Very high96.5Very high90 Ų9049 Ų4948%0.48125%0.253SS..THydrogen-bonded Turntrans56.747.6179.317743.9000111.9M181 Q182 G187 R240M181-D185 PolarHBondContact O-N 2.8Å; M181-D185 VanDerWaalsContact O-N 3.16Å; Q182-D185 PolarHBondContact O-N 3.27Å; D185-G187 PolarHBondContact O-N 2.63Å; D185-R240 VanDerWaalsContact CB-CZ 3.48Å; D185-R240 WeakPolarHBondContact O-CB 3.45Å; D185-R240 WeakPolarHBondContact O-CD 3.46Å; D185-R240 VanDerWaalsContact O-CG 3.3Å; D185-R240 WeakPolarHBondContact O-CG 3.2Å; D185-R240 IonicContact OD2-CZ 2.67Å; D185-R240 IonicContact OD2-NE 2.58Å; D185-R240 PolarHBondContact OD2-NE 3.12Å; D185-R240 IonicContact OD2-NH2 3.41Å; D185-R240 PolarHBondContact OD2-NH2 2.68Å
186I98.3Very high96.4Very high8 Ų849 Ų494%0.04125%0.253CS..  trans-9591-176.4-56178.3000109.8P160 Y168 M181 N184 Y188 L242P160-I186 HydrophobicContact CG-CD1 4.22Å; Y168-I186 HydrophobicContact CD1-CD1 4.16Å; Y168-I186 HydrophobicContact CD2-CD1 4.28Å; Y168-I186 HydrophobicContact CD2-CG1 4.37Å; Y168-I186 HydrophobicContact CG-CD1 4Å; M181-I186 HydrophobicContact CE-CB 3.92Å; M181-I186 HydrophobicContact CE-CG2 3.51Å; M181-I186 PolarHBondContact O-N 3.39Å; M181-I186 HydrophobicContact SD-CB 3.92Å; M181-I186 HydrophobicContact SD-CD1 3.98Å; M181-I186 HydrophobicContact SD-CG2 3.8Å; N184-I186 HydrophobicContact CB-CD1 3.61Å; N184-I186 HydrophobicContact CB-CG1 3.64Å; I186-Y188 WeakPolarHBondContact CG2-O 3.41Å; I186-L242 HydrophobicContact CD1-CB 4.32Å; I186-L242 HydrophobicContact CG2-CB 3.64Å
187G97.6Very high96.4Very high28 Ų2847.7 Ų47.729%0.28925%0.25SS..  trans-84.3-7.6177.800000115.9D185 H206 R240D185-G187 PolarHBondContact O-N 2.63Å; G187-H206 WeakPolarHBondContact O-CB 3.44Å; G187-H206 PolarHBondContact O-ND1 2.96Å; G187-R240 PolarHBondContact N-O 3.25Å
188Y98.8Very high96.4Very high27 Ų2747 Ų4711%0.10624%0.244CC..EExtended strand (participates in β ladder)trans-134.3146-174.3-68.9-96.7000112.7I186 H206 F230 A234 S237 R240 V241 L242I186-Y188 WeakPolarHBondContact CG2-O 3.41Å; Y188-H206 WeakPolarHBondContact CA-O 3.18Å; Y188-H206 HydrophobicContact CD1-CB 3.5Å; Y188-H206 AromaticContact CD1-CG 3.63Å; Y188-H206 HydrophobicContact CE1-CB 3.72Å; Y188-H206 AromaticContact CE1-CD2 3.35Å; Y188-H206 WeakPolarHBondContact CE1-CD2 3.45Å; Y188-H206 AromaticContact CE1-CE1 3.91Å; Y188-H206 AromaticContact CE1-CG 3.3Å; Y188-H206 AromaticContact CE1-ND1 3.66Å; Y188-H206 AromaticContact CE1-NE2 3.74Å; Y188-H206 AromaticContact CE2-CE1 3.82Å; Y188-H206 AromaticContact CE2-ND1 3.76Å; Y188-H206 HydrophobicContact CG-CB 4.07Å; Y188-H206 AromaticContact CZ-CD2 3.64Å; Y188-H206 AromaticContact CZ-CE1 3.41Å; Y188-H206 VanDerWaalsContact CZ-CE1 3.41Å; Y188-H206 AromaticContact CZ-CG 3.66Å; Y188-H206 AromaticContact CZ-ND1 3.51Å; Y188-H206 AromaticContact CZ-NE2 3.49Å; Y188-H206 PolarHBondContact OH-CE1 3.36Å; Y188-H206 VanDerWaalsContact OH-CE1 3.28Å; Y188-H206 PolarHBondContact OH-NE2 3.08Å; Y188-H206 VanDerWaalsContact OH-NE2 3.08Å; Y188-F230 HydrophobicContact CD1-CZ 4.22Å; Y188-A234 HydrophobicContact CD1-CB 3.66Å; Y188-A234 HydrophobicContact CD2-CB 3.64Å; Y188-A234 HydrophobicContact CE1-CB 3.95Å; Y188-A234 HydrophobicContact CE2-CB 3.91Å; Y188-A234 HydrophobicContact CG-CB 3.53Å; Y188-S237 PolarHBondContact OH-OG 2.99Å; Y188-R240 PolarHBondContact N-O 2.96Å; Y188-R240 VanDerWaalsContact N-O 3.11Å; Y188-V241 WeakPolarHBondContact O-CA 3.48Å; Y188-L242 PolarHBondContact O-N 3.34Å
189V98.8Very high96.3Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-134.1126.9-177.9171.60000111.8V175 M181 I202 H206 F207 L208 F230V175-V189 HydrophobicContact CG2-CB 4.49Å; V175-V189 HydrophobicContact CG2-CG1 3.85Å; V175-V189 HydrophobicContact CG2-CG2 3.73Å; M181-V189 HydrophobicContact CE-CG2 3.63Å; V189-I202 HydrophobicContact CB-CG2 4.43Å; V189-I202 HydrophobicContact CG2-CD1 4.26Å; V189-I202 HydrophobicContact CG2-CG1 3.88Å; V189-I202 HydrophobicContact CG2-CG2 4.37Å; V189-H206 PolarHBondContact N-O 2.9Å; V189-F207 HydrophobicContact CB-CD2 4.04Å; V189-F207 HydrophobicContact CG1-CD2 3.87Å; V189-F207 HydrophobicContact CG1-CE2 3.87Å; V189-F207 WeakPolarHBondContact O-CA 3.14Å; V189-L208 PolarHBondContact O-N 2.97Å; V189-F230 WeakPolarHBondContact O-CZ 3.45Å
190L98.9Very high96.3Very high0 Ų045.1 Ų45.10%024%0.241CC..EExtended strand (participates in β ladder)trans-109.9112.5167.5-163.2170.2000109.4L208 V210 F230 I231 V241 L242 V243 H244 I255L190-L208 CarbonylContact C-O 3.54Å; L190-L208 WeakPolarHBondContact CA-O 3.47Å; L190-L208 HydrophobicContact CD1-CD2 4.09Å; L190-L208 HydrophobicContact CG-CB 4.28Å; L190-L208 HydrophobicContact CG-CD2 4.11Å; L190-L208 HydrophobicContact CG-CG 4.24Å; L190-V210 HydrophobicContact CD2-CB 4.29Å; L190-V210 HydrophobicContact CD2-CG2 3.77Å; L190-F230 HydrophobicContact CB-CD1 4.17Å; L190-F230 HydrophobicContact CB-CE1 3.92Å; L190-F230 HydrophobicContact CD1-CD1 4.06Å; L190-F230 HydrophobicContact CG-CD1 4.34Å; L190-I231 HydrophobicContact CD1-CD1 4.41Å; L190-I231 HydrophobicContact CD1-CG1 4.45Å; L190-V241 HydrophobicContact CB-CG1 4.34Å; L190-L242 PolarHBondContact N-O 2.89Å; L190-V243 HydrophobicContact CB-CG2 4.13Å; L190-V243 HydrophobicContact CD1-CG2 4.4Å; L190-V243 HydrophobicContact CD2-CG1 4.44Å; L190-V243 WeakPolarHBondContact O-CA 3.47Å; L190-H244 PolarHBondContact O-CD2 3.42Å; L190-H244 PolarHBondContact O-N 2.94Å; L190-I255 HydrophobicContact CD1-CG2 4.16Å; L190-I255 HydrophobicContact CD2-CD1 3.86Å
191N98.8Very high96.4Very high0 Ų047.8 Ų47.80%025%0.252CS..EExtended strand (participates in β ladder)trans-10399.5-175.2-177.1-22.4000110.7S193 C196 P197 F207 L208 R209 V210 H244N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.17Å; N191-S193 VanDerWaalsContact O-N 3.09Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.32Å; N191-S193 PolarHBondContact OD1-OG 3.5Å; N191-C196 PolarHBondContact ND2-O 3.42Å; N191-P197 PolarHBondContact ND2-O 3.36Å; N191-P197 VanDerWaalsContact ND2-O 3.13Å; N191-F207 HydrophobicContact CB-CE2 3.55Å; N191-F207 HydrophobicContact CB-CZ 3.68Å; N191-L208 PolarHBondContact N-O 2.65Å; N191-R209 PolarHBondContact ND2-NH1 3Å; N191-R209 WeakPolarHBondContact O-CA 3.4Å; N191-V210 PolarHBondContact O-N 3.25Å; N191-H244 VanDerWaalsContact CB-NE2 3.27Å; N191-H244 WeakPolarHBondContact CB-NE2 3.4Å; N191-H244 VanDerWaalsContact CG-CE1 3.47Å; N191-H244 VanDerWaalsContact CG-NE2 3.25Å; N191-H244 PolarHBondContact ND2-NE2 3.34Å
192A98.6Very high96.4Very high0 Ų047.9 Ų47.90%025%0.253CS..  trans-84.164.9176.700000111.1V210 V212 H244 C245 R251 I255A192-V210 CarbonylContact C-O 3.45Å; A192-V210 WeakPolarHBondContact CA-O 3.46Å; A192-V212 HydrophobicContact CB-CG2 4.46Å; A192-H244 PolarHBondContact N-O 3.22Å; A192-C245 HydrophobicContact CB-CB 4.28Å; A192-C245 WeakPolarHBondContact O-CB 3.35Å; A192-R251 HydrophobicContact CB-CB 4.05Å; A192-R251 WeakPolarHBondContact O-CD 3.26Å; A192-I255 HydrophobicContact CB-CD1 3.76Å
193S97.2Very high96.5Very high0 Ų044.8 Ų44.80%024%0.244CC..  trans-160.4162.9175.6810000113.3N191 C196 R209 V210N191-S193 VanDerWaalsContact C-N 3.27Å; N191-S193 PolarHBondContact O-N 3.17Å; N191-S193 VanDerWaalsContact O-N 3.09Å; N191-S193 WeakPolarHBondContact OD1-CB 3.34Å; N191-S193 PolarHBondContact OD1-N 3.32Å; N191-S193 PolarHBondContact OD1-OG 3.5Å; S193-C196 WeakPolarHBondContact OG-CB 3.37Å; S193-C196 PolarHBondContact OG-N 2.91Å; S193-C196 PolarHBondContact OG-SG 3.48Å; S193-R209 WeakPolarHBondContact O-CD 3.21Å; S193-R209 WeakPolarHBondContact O-CG 3.34Å; S193-R209 PolarHBondContact O-NH1 3.37Å; S193-V210 PolarHBondContact N-O 2.98Å; S193-V210 VanDerWaalsContact N-O 3.09Å
194N93.6Very high96.5Very high65 Ų6543.3 Ų43.335%0.34824%0.237SC..SBendtrans-84.5-30.7166.5-67-38.8000113.3P211 N213N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; N194-P211 WeakPolarHBondContact OD1-CB 3.25Å; N194-P211 PolarHBondContact OD1-O 3.44Å; N194-N213 VanDerWaalsContact ND2-CG 3.25Å; N194-N213 PolarHBondContact ND2-ND2 3Å; N194-N213 VanDerWaalsContact ND2-ND2 3.17Å; N194-N213 PolarHBondContact ND2-OD1 3.03Å
195T92.3Very high96.5Very high109 Ų10945.7 Ų45.767%0.66926%0.257SS*.SBendtrans-110.7-23.5-163.851.30000115.7
196C94.6Very high96.6Very high0 Ų044 Ų440%025%0.245CC..SBendtrans-69.9131178.2-51.40000109Q172 N191 S193 R209Q172-C196 HydrophobicContact CB-CB 4.42Å; Q172-C196 HydrophobicContact CG-CB 4.17Å; Q172-C196 PolarHBondContact OE1-SG 3.49Å; N191-C196 PolarHBondContact ND2-O 3.42Å; S193-C196 WeakPolarHBondContact OG-CB 3.37Å; S193-C196 PolarHBondContact OG-N 2.91Å; S193-C196 PolarHBondContact OG-SG 3.48Å; C196-R209 PolarHBondContact O-NH1 3.26Å; C196-R209 PolarHBondContact O-NH2 3.38Å
197P94.2Very high96.6Very high59 Ų5944.7 Ų44.738%0.38325%0.248SC..PPolyproline II helixtrans-66.7168179.528.6-35.7000112.2L176 N191L176-P197 HydrophobicContact CD2-CG 4.35Å; N191-P197 PolarHBondContact ND2-O 3.36Å; N191-P197 VanDerWaalsContact ND2-O 3.13Å
198K95.8Very high96.7Very high55 Ų5544.1 Ų44.124%0.23924%0.239CC..PPolyproline II helixtrans-83.2136161-174.4-172.570.765.30107.5I202 E204 F207K198-I202 PolarHBondContact NZ-O 3.2Å; K198-E204 WeakPolarHBondContact CD-OE2 3.36Å; K198-E204 WeakPolarHBondContact CE-OE2 3.26Å; K198-F207 HydrophobicContact CB-CD1 4.45Å; K198-F207 HydrophobicContact CB-CD2 4.36Å; K198-F207 HydrophobicContact CB-CE1 4.1Å; K198-F207 HydrophobicContact CB-CE2 3.99Å; K198-F207 HydrophobicContact CB-CZ 3.85Å; K198-F207 HydrophobicContact CD-CB 3.91Å; K198-F207 HydrophobicContact CD-CD1 3.77Å; K198-F207 HydrophobicContact CD-CD2 4.06Å; K198-F207 HydrophobicContact CD-CE1 4.26Å; K198-F207 HydrophobicContact CD-CG 3.65Å; K198-F207 HydrophobicContact CG-CB 4.41Å; K198-F207 HydrophobicContact CG-CD1 4.06Å; K198-F207 HydrophobicContact CG-CD2 3.65Å; K198-F207 HydrophobicContact CG-CE1 4.19Å; K198-F207 HydrophobicContact CG-CE2 3.78Å; K198-F207 HydrophobicContact CG-CG 3.79Å; K198-F207 HydrophobicContact CG-CZ 4.05Å
199P94.6Very high96.7Very high2 Ų246.3 Ų46.31%0.01325%0.247CC..PPolyproline II helixtrans-65.9144.1169.130.2-37.1000110.9V175 F201 I202V175-P199 HydrophobicContact CG2-CG 3.84Å; P199-F201 VanDerWaalsContact C-N 3.3Å; P199-F201 HydrophobicContact CB-CD1 4.08Å; P199-F201 HydrophobicContact CB-CE1 3.67Å; P199-F201 HydrophobicContact CB-CE2 4.14Å; P199-F201 HydrophobicContact CB-CG 4.49Å; P199-F201 HydrophobicContact CB-CZ 3.7Å; P199-F201 HydrophobicContact CG-CE2 4.43Å; P199-F201 HydrophobicContact CG-CZ 4.36Å; P199-F201 PolarHBondContact O-N 3.21Å; P199-I202 HydrophobicContact CB-CG1 4.49Å; P199-I202 HydrophobicContact CG-CB 3.98Å; P199-I202 HydrophobicContact CG-CG1 3.56Å; P199-I202 PolarHBondContact O-N 2.83Å
200D95.4Very high96.6Very high156 Ų15646.4 Ų46.483%0.83425%0.247SC*.THydrogen-bonded Turntrans-66.6-34.1-175.5-53.5-57.8000112.4I202D200-I202 VanDerWaalsContact C-N 3.26Å; D200-I202 PolarHBondContact O-N 3.27Å
201F95.9Very high96.6Very high78 Ų7848.8 Ų48.834%0.34226%0.263SS..THydrogen-bonded Turntrans-76.70.2-177.659.2-99.1000115.3V175 K178 M181 P199V175-F201 WeakPolarHBondContact O-CZ 3.5Å; K178-F201 HydrophobicContact CB-CD1 4.11Å; K178-F201 HydrophobicContact CB-CE1 3.7Å; K178-F201 HydrophobicContact CB-CZ 4.04Å; K178-F201 HydrophobicContact CD-CD1 4.23Å; K178-F201 HydrophobicContact CG-CD1 3.92Å; K178-F201 HydrophobicContact CG-CD2 4.49Å; K178-F201 HydrophobicContact CG-CE1 3.99Å; K178-F201 HydrophobicContact CG-CG 4.18Å; K178-F201 HydrophobicContact CG-CZ 4.31Å; M181-F201 HydrophobicContact CB-CE2 4.02Å; M181-F201 HydrophobicContact CB-CZ 4.34Å; M181-F201 HydrophobicContact CE-CE2 4.19Å; M181-F201 HydrophobicContact CG-CE2 4.12Å; M181-F201 HydrophobicContact CG-CZ 4.14Å; P199-F201 VanDerWaalsContact C-N 3.3Å; P199-F201 HydrophobicContact CB-CD1 4.08Å; P199-F201 HydrophobicContact CB-CE1 3.67Å; P199-F201 HydrophobicContact CB-CE2 4.14Å; P199-F201 HydrophobicContact CB-CG 4.49Å; P199-F201 HydrophobicContact CB-CZ 3.7Å; P199-F201 HydrophobicContact CG-CE2 4.43Å; P199-F201 HydrophobicContact CG-CZ 4.36Å; P199-F201 PolarHBondContact O-N 3.21Å
202I97.3Very high96.5Very high6 Ų648.8 Ų48.83%0.03126%0.263CS..SBendtrans-105.4123.7172.4-61.3-66.7000109M181 V189 K198 P199 D200 H206M181-I202 HydrophobicContact CE-CD1 4.08Å; M181-I202 HydrophobicContact CE-CG1 4.4Å; V189-I202 HydrophobicContact CB-CG2 4.43Å; V189-I202 HydrophobicContact CG2-CD1 4.26Å; V189-I202 HydrophobicContact CG2-CG1 3.88Å; V189-I202 HydrophobicContact CG2-CG2 4.37Å; K198-I202 PolarHBondContact NZ-O 3.2Å; P199-I202 HydrophobicContact CB-CG1 4.49Å; P199-I202 HydrophobicContact CG-CB 3.98Å; P199-I202 HydrophobicContact CG-CG1 3.56Å; P199-I202 PolarHBondContact O-N 2.83Å; D200-I202 VanDerWaalsContact C-N 3.26Å; D200-I202 PolarHBondContact O-N 3.27Å; I202-H206 HydrophobicContact CG2-CB 4.11Å
203P96.7Very high96.3Very high63 Ų6352.6 Ų52.641%0.40928%0.283SS..  trans-70.4151.2178.330.2-34.4000111S205 H206 F207P203-S205 PolarHBondContact O-N 3.45Å; P203-H206 HydrophobicContact CG-CB 3.95Å; P203-H206 CarbonylContact O-C 3.59Å; P203-H206 WeakPolarHBondContact O-CA 3.45Å; P203-H206 PolarHBondContact O-N 3.43Å; P203-F207 PolarHBondContact O-N 2.9Å
204E95.8Very high96.2Very high125 Ų12555.8 Ų55.858%0.58430%0.3SS*.G310 helixtrans-61.2-30.7-176.1-160.362.4-155.900112.7K198 H206 F207K198-E204 WeakPolarHBondContact CD-OE2 3.36Å; K198-E204 WeakPolarHBondContact CE-OE2 3.26Å; E204-H206 PolarHBondContact O-N 3.48Å; E204-H206 VanDerWaalsContact O-N 3.16Å; E204-F207 PolarHBondContact O-N 3.33Å; E204-F207 VanDerWaalsContact O-N 3.1Å; E204-F207 WeakPolarHBondContact OE1-CD1 3.37Å
205S97.1Very high96Very high89 Ų8954.2 Ų54.262%0.62229%0.294SS*.G310 helixtrans-60.6-20.4172.8550000114.2P203P203-S205 PolarHBondContact O-N 3.45Å
206H98.3Very high95.8Very high53 Ų5356.5 Ų56.525%0.24530%0.295CS..G310 helixtrans-110.813179.9-68.1-159.6000112.3G187 Y188 V189 I202 P203 E204 F230G187-H206 WeakPolarHBondContact O-CB 3.44Å; G187-H206 PolarHBondContact O-ND1 2.96Å; Y188-H206 WeakPolarHBondContact CA-O 3.18Å; Y188-H206 HydrophobicContact CD1-CB 3.5Å; Y188-H206 AromaticContact CD1-CG 3.63Å; Y188-H206 HydrophobicContact CE1-CB 3.72Å; Y188-H206 AromaticContact CE1-CD2 3.35Å; Y188-H206 WeakPolarHBondContact CE1-CD2 3.45Å; Y188-H206 AromaticContact CE1-CE1 3.91Å; Y188-H206 AromaticContact CE1-CG 3.3Å; Y188-H206 AromaticContact CE1-ND1 3.66Å; Y188-H206 AromaticContact CE1-NE2 3.74Å; Y188-H206 AromaticContact CE2-CE1 3.82Å; Y188-H206 AromaticContact CE2-ND1 3.76Å; Y188-H206 HydrophobicContact CG-CB 4.07Å; Y188-H206 AromaticContact CZ-CD2 3.64Å; Y188-H206 AromaticContact CZ-CE1 3.41Å; Y188-H206 VanDerWaalsContact CZ-CE1 3.41Å; Y188-H206 AromaticContact CZ-CG 3.66Å; Y188-H206 AromaticContact CZ-ND1 3.51Å; Y188-H206 AromaticContact CZ-NE2 3.49Å; Y188-H206 PolarHBondContact OH-CE1 3.36Å; Y188-H206 VanDerWaalsContact OH-CE1 3.28Å; Y188-H206 PolarHBondContact OH-NE2 3.08Å; Y188-H206 VanDerWaalsContact OH-NE2 3.08Å; V189-H206 PolarHBondContact N-O 2.9Å; I202-H206 HydrophobicContact CG2-CB 4.11Å; P203-H206 HydrophobicContact CG-CB 3.95Å; P203-H206 CarbonylContact O-C 3.59Å; P203-H206 WeakPolarHBondContact O-CA 3.45Å; P203-H206 PolarHBondContact O-N 3.43Å; E204-H206 PolarHBondContact O-N 3.48Å; E204-H206 VanDerWaalsContact O-N 3.16Å; H206-F230 WeakPolarHBondContact O-CZ 3.26Å
207F98.7Very high95.6Very high23 Ų2361.7 Ų61.710%0.10133%0.33CS..EExtended strand (participates in β ladder)trans-114.8143.2179.1-176.3-113.8000111.6V189 N191 K198 P203 E204 R209V189-F207 HydrophobicContact CB-CD2 4.04Å; V189-F207 HydrophobicContact CG1-CD2 3.87Å; V189-F207 HydrophobicContact CG1-CE2 3.87Å; V189-F207 WeakPolarHBondContact O-CA 3.14Å; N191-F207 HydrophobicContact CB-CE2 3.55Å; N191-F207 HydrophobicContact CB-CZ 3.68Å; K198-F207 HydrophobicContact CB-CD1 4.45Å; K198-F207 HydrophobicContact CB-CD2 4.36Å; K198-F207 HydrophobicContact CB-CE1 4.1Å; K198-F207 HydrophobicContact CB-CE2 3.99Å; K198-F207 HydrophobicContact CB-CZ 3.85Å; K198-F207 HydrophobicContact CD-CB 3.91Å; K198-F207 HydrophobicContact CD-CD1 3.77Å; K198-F207 HydrophobicContact CD-CD2 4.06Å; K198-F207 HydrophobicContact CD-CE1 4.26Å; K198-F207 HydrophobicContact CD-CG 3.65Å; K198-F207 HydrophobicContact CG-CB 4.41Å; K198-F207 HydrophobicContact CG-CD1 4.06Å; K198-F207 HydrophobicContact CG-CD2 3.65Å; K198-F207 HydrophobicContact CG-CE1 4.19Å; K198-F207 HydrophobicContact CG-CE2 3.78Å; K198-F207 HydrophobicContact CG-CG 3.79Å; K198-F207 HydrophobicContact CG-CZ 4.05Å; P203-F207 PolarHBondContact O-N 2.9Å; E204-F207 PolarHBondContact O-N 3.33Å; E204-F207 VanDerWaalsContact O-N 3.1Å; E204-F207 WeakPolarHBondContact OE1-CD1 3.37Å; F207-R209 HydrophobicContact CE1-CB 3.95Å; F207-R209 HydrophobicContact CZ-CB 4.19Å
208L98.7Very high95.7Very high16 Ų1660.6 Ų60.68%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-137.8117166.9172.860.8000109.9V189 L190 N191 V210 K226 F230V189-L208 PolarHBondContact O-N 2.97Å; L190-L208 CarbonylContact C-O 3.54Å; L190-L208 WeakPolarHBondContact CA-O 3.47Å; L190-L208 HydrophobicContact CD1-CD2 4.09Å; L190-L208 HydrophobicContact CG-CB 4.28Å; L190-L208 HydrophobicContact CG-CD2 4.11Å; L190-L208 HydrophobicContact CG-CG 4.24Å; N191-L208 PolarHBondContact N-O 2.65Å; L208-V210 HydrophobicContact CD2-CG2 4.47Å; L208-V210 HydrophobicContact CG-CG2 4.36Å; L208-K226 HydrophobicContact CD1-CD 4.41Å; L208-K226 HydrophobicContact CD2-CG 4.44Å; L208-F230 HydrophobicContact CB-CD1 4.15Å; L208-F230 HydrophobicContact CB-CD2 3.65Å; L208-F230 HydrophobicContact CB-CE1 4.14Å; L208-F230 HydrophobicContact CB-CE2 3.63Å; L208-F230 HydrophobicContact CB-CG 3.91Å; L208-F230 HydrophobicContact CB-CZ 3.87Å; L208-F230 HydrophobicContact CD2-CB 3.6Å; L208-F230 HydrophobicContact CD2-CD1 4.24Å; L208-F230 HydrophobicContact CD2-CD2 4.12Å; L208-F230 HydrophobicContact CD2-CG 3.74Å; L208-F230 HydrophobicContact CG-CD2 4.49Å; L208-F230 HydrophobicContact CG-CG 4.47Å
209R98.7Very high95.7Very high74 Ų7465 Ų6528%0.27934%0.339SS..EExtended strand (participates in β ladder)trans-83.7132163.9-170.9174.1-64.4-81.81.3110.6N191 S193 C196 F207 P211N191-R209 PolarHBondContact ND2-NH1 3Å; N191-R209 WeakPolarHBondContact O-CA 3.4Å; S193-R209 WeakPolarHBondContact O-CD 3.21Å; S193-R209 WeakPolarHBondContact O-CG 3.34Å; S193-R209 PolarHBondContact O-NH1 3.37Å; C196-R209 PolarHBondContact O-NH1 3.26Å; C196-R209 PolarHBondContact O-NH2 3.38Å; F207-R209 HydrophobicContact CE1-CB 3.95Å; F207-R209 HydrophobicContact CZ-CB 4.19Å; R209-P211 HydrophobicContact CG-CB 4.43Å
210V98.6Very high95.9Very high1 Ų165 Ų651%0.00634%0.339CS..  trans-109.298.6162.7173.30000106.4L190 N191 A192 S193 L208 V212 W223 I255L190-V210 HydrophobicContact CD2-CB 4.29Å; L190-V210 HydrophobicContact CD2-CG2 3.77Å; N191-V210 PolarHBondContact O-N 3.25Å; A192-V210 CarbonylContact C-O 3.45Å; A192-V210 WeakPolarHBondContact CA-O 3.46Å; S193-V210 PolarHBondContact N-O 2.98Å; S193-V210 VanDerWaalsContact N-O 3.09Å; L208-V210 HydrophobicContact CD2-CG2 4.47Å; L208-V210 HydrophobicContact CG-CG2 4.36Å; V210-V212 HydrophobicContact CG1-CG1 3.91Å; V210-V212 HydrophobicContact CG1-CG2 3.96Å; V210-V212 PolarHBondContact O-N 3.02Å; V210-W223 HydrophobicContact CG1-CB 3.59Å; V210-W223 HydrophobicContact CG1-CD2 3.98Å; V210-W223 HydrophobicContact CG1-CE3 4.41Å; V210-W223 HydrophobicContact CG1-CG 3.61Å; V210-W223 HydrophobicContact CG2-CB 4.28Å; V210-W223 HydrophobicContact CG2-CE3 4.27Å; V210-I255 HydrophobicContact CB-CD1 4.28Å; V210-I255 HydrophobicContact CG1-CD1 4.17Å; V210-I255 HydrophobicContact CG2-CD1 4.25Å
211P97.8Very high96Very high50 Ų5059.8 Ų59.833%0.32531%0.311SS..  trans-77.681.4-169.431.3-35.5000111.4N194 R209 W223N194-P211 WeakPolarHBondContact OD1-CA 3.44Å; N194-P211 WeakPolarHBondContact OD1-CB 3.25Å; N194-P211 PolarHBondContact OD1-O 3.44Å; R209-P211 HydrophobicContact CG-CB 4.43Å; P211-W223 HydrophobicContact CG-CH2 3.83Å; P211-W223 HydrophobicContact CG-CZ2 3.67Å
212V96.5Very high96.1Very high0 Ų060.3 Ų60.30%032%0.322CS..  trans-130.7140.7-176.1-64.60000113.3A192 V210 E218 I220 R251A192-V212 HydrophobicContact CB-CG2 4.46Å; V210-V212 HydrophobicContact CG1-CG1 3.91Å; V210-V212 HydrophobicContact CG1-CG2 3.96Å; V210-V212 PolarHBondContact O-N 3.02Å; V212-E218 HydrophobicContact CB-CG 3.79Å; V212-E218 HydrophobicContact CG1-CG 4.11Å; V212-I220 HydrophobicContact CG2-CD1 4.18Å; V212-I220 HydrophobicContact CG2-CG1 4.45Å; V212-R251 HydrophobicContact CG2-CB 4.5Å; V212-R251 HydrophobicContact CG2-CG 4.02Å; V212-R251 WeakPolarHBondContact O-CD 3.49Å; V212-R251 PolarHBondContact O-NH1 2.79Å
213N94.3Very high96.2Very high80 Ų8063.5 Ų63.543%0.42833%0.334SS..  trans-84.8166.9172.6-57.3-69.2000111.3N194 E218 R251 F288N194-N213 VanDerWaalsContact ND2-CG 3.25Å; N194-N213 PolarHBondContact ND2-ND2 3Å; N194-N213 VanDerWaalsContact ND2-ND2 3.17Å; N194-N213 PolarHBondContact ND2-OD1 3.03Å; N213-E218 WeakPolarHBondContact CB-OE2 3.21Å; N213-E218 PolarHBondContact N-OE2 3.38Å; N213-E218 PolarHBondContact ND2-OE2 2.89Å; N213-E218 WeakPolarHBondContact O-CG 3.46Å; N213-R251 WeakPolarHBondContact O-CD 3.49Å; N213-F288 WeakPolarHBondContact O-CZ 3.36Å
214D94.9Very high96.3Very high67 Ų6760.6 Ų60.636%0.35832%0.315SS..SBendtrans-99.181.2173.9-126.8-48.9000109.3S250 R251 N285D214-S250 WeakPolarHBondContact OD1-CB 3.44Å; D214-S250 PolarHBondContact OD1-OG 3.11Å; D214-S250 WeakPolarHBondContact OD2-CB 3.05Å; D214-R251 HydrophobicContact CB-CG 4.49Å; D214-R251 WeakPolarHBondContact OD2-CG 3.38Å; D214-R251 IonicContact OD2-CZ 3.1Å; D214-R251 IonicContact OD2-NE 2.96Å; D214-R251 PolarHBondContact OD2-NE 3.18Å; D214-R251 IonicContact OD2-NH2 2.71Å; D214-N285 PolarHBondContact OD1-ND2 3.17Å; D214-N285 VanDerWaalsContact OD1-ND2 3.12Å
215S90.2Very high96.4Very high32 Ų3256.6 Ų56.622%0.22430%0.298CS..SBendtrans-144163.9-173.7840000113.8C217 E218 N287S215-C217 PolarHBondContact O-N 3.17Å; S215-C217 PolarHBondContact OG-N 2.79Å; S215-C217 PolarHBondContact OG-SG 3.17Å; S215-E218 WeakPolarHBondContact OG-CB 3.45Å; S215-E218 PolarHBondContact OG-N 3.47Å; S215-N287 PolarHBondContact O-ND2 2.96Å
216F88.3Confident96.4Very high157 Ų15757.8 Ų57.869%0.68929%0.291SS*.THydrogen-bonded Turntrans-75.6-4.6179.2-59.6-77.9000114.6N285 F286 N287F216-N285 HydrophobicContact CE1-CB 4.4Å; F216-F286 HydrophobicContact CE1-CD2 4.5Å; F216-N287 HydrophobicContact CB-CB 4.47Å; F216-N287 HydrophobicContact CD1-CB 4.46Å; F216-N287 VanDerWaalsContact O-CG 3.32Å; F216-N287 PolarHBondContact O-ND2 3.13Å
217C89.9Confident96.5Very high109 Ų10955.2 Ų55.274%0.73628%0.28SS*.THydrogen-bonded Turntrans-116.6-7.9177.857.30000114S215S215-C217 PolarHBondContact O-N 3.17Å; S215-C217 PolarHBondContact OG-N 2.79Å; S215-C217 PolarHBondContact OG-SG 3.17Å
218E96Very high96.4Very high37 Ų3754.5 Ų54.517%0.17328%0.277CS..  trans-70.5143.9-177.6-174.362.6-83.800112.4V212 N213 S215 N287 F288 Q291V212-E218 HydrophobicContact CB-CG 3.79Å; V212-E218 HydrophobicContact CG1-CG 4.11Å; N213-E218 WeakPolarHBondContact CB-OE2 3.21Å; N213-E218 PolarHBondContact N-OE2 3.38Å; N213-E218 PolarHBondContact ND2-OE2 2.89Å; N213-E218 WeakPolarHBondContact O-CG 3.46Å; S215-E218 WeakPolarHBondContact OG-CB 3.45Å; S215-E218 PolarHBondContact OG-N 3.47Å; E218-N287 PolarHBondContact O-ND2 3.27Å; E218-F288 HydrophobicContact CB-CE1 3.98Å; E218-F288 HydrophobicContact CB-CZ 4.1Å; E218-F288 HydrophobicContact CG-CE1 4.24Å; E218-F288 HydrophobicContact CG-CZ 4.19Å; E218-Q291 PolarHBondContact O-NE2 3.1Å
219K96.6Very high96.4Very high148 Ų14858.9 Ų58.964%0.64330%0.3SS*.  trans-108.196.6-177.8-68.5-178-179.1177.30111.5P222K219-P222 HydrophobicContact CB-CG 4.42Å
220I98.3Very high96.4Very high0 Ų056.6 Ų56.60%029%0.293CS..  trans-91.2-26.1176.9-159.2167000112.8V212 P222 W223 L224 T254 I255 F288 Q291V212-I220 HydrophobicContact CG2-CD1 4.18Å; V212-I220 HydrophobicContact CG2-CG1 4.45Å; I220-P222 VanDerWaalsContact C-CD 3.43Å; I220-W223 WeakPolarHBondContact O-CB 3.25Å; I220-W223 PolarHBondContact O-N 2.71Å; I220-L224 HydrophobicContact CG1-CD2 4.33Å; I220-T254 HydrophobicContact CD1-CG2 4.15Å; I220-T254 HydrophobicContact CG2-CG2 4.01Å; I220-I255 HydrophobicContact CD1-CD1 4.36Å; I220-I255 HydrophobicContact CD1-CG1 4Å; I220-I255 HydrophobicContact CG1-CG1 4.47Å; I220-F288 HydrophobicContact CB-CD1 4.1Å; I220-F288 HydrophobicContact CB-CE1 3.92Å; I220-F288 HydrophobicContact CB-CZ 4.48Å; I220-F288 HydrophobicContact CG2-CB 4.45Å; I220-F288 HydrophobicContact CG2-CD1 3.44Å; I220-F288 VanDerWaalsContact CG2-CD1 3.44Å; I220-F288 HydrophobicContact CG2-CE1 3.81Å; I220-F288 HydrophobicContact CG2-CG 3.98Å; I220-Q291 HydrophobicContact CG2-CB 4.49Å
221L98.2Very high96.4Very high47 Ų4756.6 Ų56.625%0.24629%0.293CS..G310 helixtrans-49.1-44.1178.5178.758.3000114.4W223 L224 Q291 D294 F295L221-W223 PolarHBondContact O-N 3.43Å; L221-W223 VanDerWaalsContact O-N 3.15Å; L221-L224 HydrophobicContact CD1-CD1 4Å; L221-L224 PolarHBondContact O-N 3.05Å; L221-Q291 HydrophobicContact CB-CB 4.13Å; L221-Q291 HydrophobicContact CB-CG 4.17Å; L221-D294 HydrophobicContact CD2-CB 4.1Å; L221-F295 HydrophobicContact CD1-CB 3.81Å; L221-F295 HydrophobicContact CD1-CD2 3.84Å; L221-F295 HydrophobicContact CD1-CG 4.25Å
222P98.4Very high96.5Very high90 Ų9056 Ų5658%0.58429%0.286SS*.G310 helixtrans-64.5-18179-21.534.8000114.4K219 I220K219-P222 HydrophobicContact CB-CG 4.42Å; I220-P222 VanDerWaalsContact C-CD 3.43Å
223W98.6Very high96.5Very high73 Ų7363.4 Ų63.428%0.27732%0.318SS..G310 helixtrans-95-10.4-178.5-61.597.6000113.5V210 P211 I220 L221 K226 S227V210-W223 HydrophobicContact CG1-CB 3.59Å; V210-W223 HydrophobicContact CG1-CD2 3.98Å; V210-W223 HydrophobicContact CG1-CE3 4.41Å; V210-W223 HydrophobicContact CG1-CG 3.61Å; V210-W223 HydrophobicContact CG2-CB 4.28Å; V210-W223 HydrophobicContact CG2-CE3 4.27Å; P211-W223 HydrophobicContact CG-CH2 3.83Å; P211-W223 HydrophobicContact CG-CZ2 3.67Å; I220-W223 WeakPolarHBondContact O-CB 3.25Å; I220-W223 PolarHBondContact O-N 2.71Å; L221-W223 PolarHBondContact O-N 3.43Å; L221-W223 VanDerWaalsContact O-N 3.15Å; W223-K226 HydrophobicContact CE3-CD 4.36Å; W223-K226 HydrophobicContact CZ3-CD 4.4Å; W223-S227 WeakPolarHBondContact O-CB 3.44Å; W223-S227 PolarHBondContact O-N 2.95Å; W223-S227 PolarHBondContact O-OG 2.53Å
224L98.4Very high96.7Very high1 Ų159.6 Ų59.61%0.00530%0.297CS..Hα-helixtrans-67-47-171.2-62.6-176.5000112.4I220 L221 S227 V228 I255 A258 L292 F295I220-L224 HydrophobicContact CG1-CD2 4.33Å; L221-L224 HydrophobicContact CD1-CD1 4Å; L221-L224 PolarHBondContact O-N 3.05Å; L224-S227 WeakPolarHBondContact O-CB 3.44Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 VanDerWaalsContact O-N 3.16Å; L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 2.72Å; L224-I255 HydrophobicContact CD2-CG1 4.16Å; L224-A258 HydrophobicContact CB-CB 4.37Å; L224-A258 HydrophobicContact CD1-CB 3.93Å; L224-A258 HydrophobicContact CD2-CB 3.82Å; L224-A258 HydrophobicContact CG-CB 4.25Å; L224-L292 HydrophobicContact CD1-CD2 4.09Å; L224-F295 HydrophobicContact CB-CD2 4.1Å; L224-F295 HydrophobicContact CB-CE1 4.39Å; L224-F295 HydrophobicContact CB-CE2 3.77Å; L224-F295 HydrophobicContact CB-CZ 3.94Å; L224-F295 HydrophobicContact CD1-CB 3.93Å; L224-F295 HydrophobicContact CD1-CD1 3.97Å; L224-F295 HydrophobicContact CD1-CD2 3.87Å; L224-F295 HydrophobicContact CD1-CE1 4.43Å; L224-F295 HydrophobicContact CD1-CE2 4.36Å; L224-F295 HydrophobicContact CD1-CG 3.66Å
225D97.6Very high96.8Very high42 Ų4259.4 Ų59.423%0.22529%0.293CS..Hα-helixtrans-60.1-51178.5-51.8-84.4000111S227 V228 D229 K298D225-S227 PolarHBondContact O-N 3.47Å; D225-S227 VanDerWaalsContact O-N 3.16Å; D225-V228 WeakPolarHBondContact O-CA 3.44Å; D225-V228 WeakPolarHBondContact O-CB 3.34Å; D225-V228 PolarHBondContact O-N 2.95Å; D225-D229 VanDerWaalsContact O-CG 3.29Å; D225-D229 PolarHBondContact O-N 3.01Å; D225-K298 VanDerWaalsContact CG-NZ 3.34Å; D225-K298 IonicContact OD1-NZ 2.83Å; D225-K298 PolarHBondContact OD1-NZ 3.45Å; D225-K298 IonicContact OD2-NZ 3.29Å; D225-K298 PolarHBondContact OD2-NZ 3.35Å
226K98.4Very high97.2Very high113 Ų11362 Ų6249%0.49132%0.316SS..Hα-helixtrans-56.5-33.9175.9-173.1-178.3-178.2-174.60112.8L208 W223 F230L208-K226 HydrophobicContact CD1-CD 4.41Å; L208-K226 HydrophobicContact CD2-CG 4.44Å; W223-K226 HydrophobicContact CE3-CD 4.36Å; W223-K226 HydrophobicContact CZ3-CD 4.4Å; K226-F230 WeakPolarHBondContact O-CB 3.5Å; K226-F230 PolarHBondContact O-N 3.29Å; K226-F230 VanDerWaalsContact O-N 3.14Å
227S98.7Very high97.5Very high0 Ų057.5 Ų57.50%031%0.305CS..Hα-helixtrans-70.8-40.1176.1-59.90000111.9W223 L224 D225 I231W223-S227 WeakPolarHBondContact O-CB 3.44Å; W223-S227 PolarHBondContact O-N 2.95Å; W223-S227 PolarHBondContact O-OG 2.53Å; L224-S227 WeakPolarHBondContact O-CB 3.44Å; L224-S227 PolarHBondContact O-N 3.37Å; L224-S227 VanDerWaalsContact O-N 3.16Å; D225-S227 PolarHBondContact O-N 3.47Å; D225-S227 VanDerWaalsContact O-N 3.16Å; S227-I231 WeakPolarHBondContact O-CD1 3.46Å; S227-I231 VanDerWaalsContact O-CG1 3.27Å; S227-I231 WeakPolarHBondContact O-CG1 3.12Å; S227-I231 PolarHBondContact O-N 3.32Å
228V98.3Very high97.8Very high8 Ų859.4 Ų59.45%0.04831%0.308CS..Hα-helixtrans-65.6-45.2174.4175.10000111L224 D225 F230 I231 E232 Y259 K262 R263L224-V228 WeakPolarHBondContact O-CG2 3.37Å; L224-V228 PolarHBondContact O-N 2.72Å; D225-V228 WeakPolarHBondContact O-CA 3.44Å; D225-V228 WeakPolarHBondContact O-CB 3.34Å; D225-V228 PolarHBondContact O-N 2.95Å; V228-F230 VanDerWaalsContact C-N 3.3Å; V228-F230 PolarHBondContact O-N 3.08Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-I231 VanDerWaalsContact O-N 3.13Å; V228-E232 HydrophobicContact CG1-CG 4.45Å; V228-E232 PolarHBondContact O-N 3.42Å; V228-Y259 HydrophobicContact CB-CD2 4.31Å; V228-Y259 HydrophobicContact CG1-CD2 4Å; V228-Y259 HydrophobicContact CG1-CE2 4.3Å; V228-Y259 HydrophobicContact CG2-CD2 4.12Å; V228-K262 HydrophobicContact CG1-CG 4.06Å; V228-K262 HydrophobicContact CG2-CB 4.28Å; V228-K262 HydrophobicContact CG2-CG 4.39Å; V228-R263 HydrophobicContact CG1-CG 4.36Å
229D98.4Very high97.9Very high107 Ų10758.3 Ų58.357%0.57231%0.306SS*.Hα-helixtrans-60.6-39.8179.5-63.6-27.5000111.9D225 E232 K233D225-D229 VanDerWaalsContact O-CG 3.29Å; D225-D229 PolarHBondContact O-N 3.01Å; D229-E232 PolarHBondContact O-N 2.95Å; D229-K233 VanDerWaalsContact O-CB 3.31Å; D229-K233 WeakPolarHBondContact O-CB 3.44Å; D229-K233 PolarHBondContact O-N 3.43Å
230F98.8Very high97.9Very high27 Ų2754.7 Ų54.712%0.11829%0.288CS..Hα-helixtrans-63.2-43.9173.8176.3-94.8000112.4Y188 V189 L190 H206 L208 K226 V228 K233 A234 V241Y188-F230 HydrophobicContact CD1-CZ 4.22Å; V189-F230 WeakPolarHBondContact O-CZ 3.45Å; L190-F230 HydrophobicContact CB-CD1 4.17Å; L190-F230 HydrophobicContact CB-CE1 3.92Å; L190-F230 HydrophobicContact CD1-CD1 4.06Å; L190-F230 HydrophobicContact CG-CD1 4.34Å; H206-F230 WeakPolarHBondContact O-CZ 3.26Å; L208-F230 HydrophobicContact CB-CD1 4.15Å; L208-F230 HydrophobicContact CB-CD2 3.65Å; L208-F230 HydrophobicContact CB-CE1 4.14Å; L208-F230 HydrophobicContact CB-CE2 3.63Å; L208-F230 HydrophobicContact CB-CG 3.91Å; L208-F230 HydrophobicContact CB-CZ 3.87Å; L208-F230 HydrophobicContact CD2-CB 3.6Å; L208-F230 HydrophobicContact CD2-CD1 4.24Å; L208-F230 HydrophobicContact CD2-CD2 4.12Å; L208-F230 HydrophobicContact CD2-CG 3.74Å; L208-F230 HydrophobicContact CG-CD2 4.49Å; L208-F230 HydrophobicContact CG-CG 4.47Å; K226-F230 WeakPolarHBondContact O-CB 3.5Å; K226-F230 PolarHBondContact O-N 3.29Å; K226-F230 VanDerWaalsContact O-N 3.14Å; V228-F230 VanDerWaalsContact C-N 3.3Å; V228-F230 PolarHBondContact O-N 3.08Å; F230-K233 PolarHBondContact O-N 2.84Å; F230-A234 PolarHBondContact O-N 3.47Å; F230-V241 HydrophobicContact CD1-CG1 4.36Å; F230-V241 HydrophobicContact CE1-CG1 3.86Å
231I98.7Very high98Very high0 Ų054.7 Ų54.70%029%0.288CS..Hα-helixtrans-67.3-39.6178.8-62.4160.7000111.1L167 L190 S227 V228 K235 V241 V243 Y259L167-I231 HydrophobicContact CD1-CD1 4.12Å; L167-I231 HydrophobicContact CD1-CG1 4.45Å; L167-I231 HydrophobicContact CD1-CG2 4.2Å; L190-I231 HydrophobicContact CD1-CD1 4.41Å; L190-I231 HydrophobicContact CD1-CG1 4.45Å; S227-I231 WeakPolarHBondContact O-CD1 3.46Å; S227-I231 VanDerWaalsContact O-CG1 3.27Å; S227-I231 WeakPolarHBondContact O-CG1 3.12Å; S227-I231 PolarHBondContact O-N 3.32Å; V228-I231 PolarHBondContact O-N 2.97Å; V228-I231 VanDerWaalsContact O-N 3.13Å; I231-K235 VanDerWaalsContact O-CB 3.26Å; I231-K235 WeakPolarHBondContact O-CB 3.41Å; I231-K235 PolarHBondContact O-N 3.26Å; I231-V241 HydrophobicContact CG1-CG1 4.24Å; I231-V241 HydrophobicContact CG1-CG2 4.5Å; I231-V241 HydrophobicContact CG2-CG2 4.35Å; I231-V243 HydrophobicContact CD1-CG2 3.89Å; I231-V243 HydrophobicContact CG1-CG2 4.38Å; I231-Y259 HydrophobicContact CB-CD2 3.82Å; I231-Y259 HydrophobicContact CB-CE2 3.66Å; I231-Y259 HydrophobicContact CD1-CD2 3.72Å; I231-Y259 HydrophobicContact CD1-CE2 4.41Å; I231-Y259 HydrophobicContact CD1-CG 4.01Å; I231-Y259 HydrophobicContact CG1-CD2 4.39Å; I231-Y259 HydrophobicContact CG2-CD2 3.76Å; I231-Y259 HydrophobicContact CG2-CE1 4.29Å; I231-Y259 HydrophobicContact CG2-CE2 3.3Å; I231-Y259 HydrophobicContact CG2-CG 4.43Å
232E98.2Very high98Very high38 Ų3852.4 Ų52.418%0.17828%0.276CS..Hα-helixtrans-69.3-35.9174.6-73.5-62127.200112.8V228 D229 K235 A236 Y259 R263V228-E232 HydrophobicContact CG1-CG 4.45Å; V228-E232 PolarHBondContact O-N 3.42Å; D229-E232 PolarHBondContact O-N 2.95Å; E232-K235 VanDerWaalsContact CD-NZ 3.25Å; E232-K235 PolarHBondContact O-N 2.87Å; E232-K235 WeakPolarHBondContact OE1-CD 3.09Å; E232-K235 IonicContact OE1-NZ 3.03Å; E232-K235 PolarHBondContact OE1-NZ 2.81Å; E232-K235 WeakPolarHBondContact OE2-CD 3.17Å; E232-K235 IonicContact OE2-NZ 2.68Å; E232-K235 PolarHBondContact OE2-NZ 3.3Å; E232-A236 WeakPolarHBondContact O-CB 3.44Å; E232-A236 PolarHBondContact O-N 2.87Å; E232-Y259 HydrophobicContact CG-CE2 4.24Å; E232-Y259 WeakPolarHBondContact OE1-CE2 3.26Å; E232-Y259 PolarHBondContact OE1-OH 2.89Å; E232-R263 IonicContact OE1-CZ 2.73Å; E232-R263 IonicContact OE1-NE 3.69Å; E232-R263 IonicContact OE1-NH1 3.98Å; E232-R263 IonicContact OE2-CZ 3.81Å; E232-R263 IonicContact OE2-NH1 2.66Å; E232-R263 PolarHBondContact OE2-NH1 3.07Å; E232-R263 IonicContact OE2-NH2 2.67Å; E232-R263 PolarHBondContact OE2-NH2 2.82Å
233K98.1Very high98Very high156 Ų15648.1 Ų48.168%0.67825%0.249SC*.Hα-helixtrans-62.7-45174.5-173.1-177.8-179.9-174.50111.7D229 F230 A236 S237D229-K233 VanDerWaalsContact O-CB 3.31Å; D229-K233 WeakPolarHBondContact O-CB 3.44Å; D229-K233 PolarHBondContact O-N 3.43Å; F230-K233 PolarHBondContact O-N 2.84Å; K233-A236 PolarHBondContact O-N 3.47Å; K233-S237 PolarHBondContact O-N 2.58Å; K233-S237 PolarHBondContact O-OG 2.7Å
234A97.9Very high98Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-64.8-41.1176.300000112.4Y188 F230 A236 S237 N238 G239 V241Y188-A234 HydrophobicContact CD1-CB 3.66Å; Y188-A234 HydrophobicContact CD2-CB 3.64Å; Y188-A234 HydrophobicContact CE1-CB 3.95Å; Y188-A234 HydrophobicContact CE2-CB 3.91Å; Y188-A234 HydrophobicContact CG-CB 3.53Å; F230-A234 PolarHBondContact O-N 3.47Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.22Å; A234-S237 PolarHBondContact O-N 3.37Å; A234-S237 PolarHBondContact O-OG 3.12Å; A234-N238 PolarHBondContact O-N 3.36Å; A234-G239 WeakPolarHBondContact O-CA 3.32Å; A234-G239 PolarHBondContact O-N 2.61Å; A234-V241 HydrophobicContact CB-CG2 3.35Å
235K97.4Very high98Very high63 Ų6344.7 Ų44.727%0.27424%0.235SC..Hα-helixtrans-63.1-37173.8177.7-163.2178.7-169.40112.4H166 I231 E232 S237 N238H166-K235 HydrophobicContact CB-CG 4.42Å; I231-K235 VanDerWaalsContact O-CB 3.26Å; I231-K235 WeakPolarHBondContact O-CB 3.41Å; I231-K235 PolarHBondContact O-N 3.26Å; E232-K235 VanDerWaalsContact CD-NZ 3.25Å; E232-K235 PolarHBondContact O-N 2.87Å; E232-K235 WeakPolarHBondContact OE1-CD 3.09Å; E232-K235 IonicContact OE1-NZ 3.03Å; E232-K235 PolarHBondContact OE1-NZ 2.81Å; E232-K235 WeakPolarHBondContact OE2-CD 3.17Å; E232-K235 IonicContact OE2-NZ 2.68Å; E232-K235 PolarHBondContact OE2-NZ 3.3Å; K235-S237 VanDerWaalsContact C-N 3.27Å; K235-S237 PolarHBondContact O-N 3.49Å; K235-N238 WeakPolarHBondContact O-CA 3.27Å; K235-N238 PolarHBondContact O-N 3.27Å
236A97.6Very high98Very high85 Ų8546.9 Ų46.970%0.70225%0.247SC*.Hα-helixtrans-69-23177.200000113.3E232 K233 A234 N238E232-A236 WeakPolarHBondContact O-CB 3.44Å; E232-A236 PolarHBondContact O-N 2.87Å; K233-A236 PolarHBondContact O-N 3.47Å; A234-A236 VanDerWaalsContact C-N 3.33Å; A234-A236 PolarHBondContact O-N 3.22Å; A236-N238 VanDerWaalsContact C-N 3.3Å
237S96.1Very high97.8Very high64 Ų6444 Ų4445%0.44824%0.244SC..THydrogen-bonded Turntrans-90.416.1167.554.50000113.4Y188 K233 A234 K235 G239Y188-S237 PolarHBondContact OH-OG 2.99Å; K233-S237 PolarHBondContact O-N 2.58Å; K233-S237 PolarHBondContact O-OG 2.7Å; A234-S237 PolarHBondContact O-N 3.37Å; A234-S237 PolarHBondContact O-OG 3.12Å; K235-S237 VanDerWaalsContact C-N 3.27Å; K235-S237 PolarHBondContact O-N 3.49Å; S237-G239 PolarHBondContact O-N 3.15Å; S237-G239 VanDerWaalsContact O-N 3.1Å
238N95.9Very high97.7Very high149 Ų14944 Ų4480%0.79724%0.244SC*.THydrogen-bonded Turntrans57.112.5-172.8-67.8-23.9000115.2A234 K235 A236A234-N238 PolarHBondContact O-N 3.36Å; K235-N238 WeakPolarHBondContact O-CA 3.27Å; K235-N238 PolarHBondContact O-N 3.27Å; A236-N238 VanDerWaalsContact C-N 3.3Å
239G96.6Very high97.6Very high13 Ų1346.9 Ų46.913%0.13426%0.259CS..  trans-79.8160.3177.400000113.6A234 S237A234-G239 WeakPolarHBondContact O-CA 3.32Å; A234-G239 PolarHBondContact O-N 2.61Å; S237-G239 PolarHBondContact O-N 3.15Å; S237-G239 VanDerWaalsContact O-N 3.1Å
240R98.4Very high97.6Very high72 Ų7242.1 Ų42.127%0.27223%0.233SC..  trans-111.5140.2177.4-41.1-178.3-159.5179.90.6110.9H166 Y168 N184 D185 G187 Y188H166-R240 WeakPolarHBondContact O-CA 3.47Å; Y168-R240 HydrophobicContact CE2-CB 4.49Å; N184-R240 VanDerWaalsContact O-CD 3.3Å; N184-R240 WeakPolarHBondContact O-CD 3.33Å; N184-R240 PolarHBondContact O-NH1 2.66Å; D185-R240 VanDerWaalsContact CB-CZ 3.48Å; D185-R240 WeakPolarHBondContact O-CB 3.45Å; D185-R240 WeakPolarHBondContact O-CD 3.46Å; D185-R240 VanDerWaalsContact O-CG 3.3Å; D185-R240 WeakPolarHBondContact O-CG 3.2Å; D185-R240 IonicContact OD2-CZ 2.67Å; D185-R240 IonicContact OD2-NE 2.58Å; D185-R240 PolarHBondContact OD2-NE 3.12Å; D185-R240 IonicContact OD2-NH2 3.41Å; D185-R240 PolarHBondContact OD2-NH2 2.68Å; G187-R240 PolarHBondContact N-O 3.25Å; Y188-R240 PolarHBondContact N-O 2.96Å; Y188-R240 VanDerWaalsContact N-O 3.11Å
241V98.8Very high97.6Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-110.2129.7-174.2-1720000111.1H166 L167 Y168 Y188 L190 F230 I231 A234 V243H166-V241 PolarHBondContact O-N 2.74Å; L167-V241 HydrophobicContact CD1-CB 4.47Å; Y168-V241 PolarHBondContact N-O 2.81Å; Y188-V241 WeakPolarHBondContact O-CA 3.48Å; L190-V241 HydrophobicContact CB-CG1 4.34Å; F230-V241 HydrophobicContact CD1-CG1 4.36Å; F230-V241 HydrophobicContact CE1-CG1 3.86Å; I231-V241 HydrophobicContact CG1-CG1 4.24Å; I231-V241 HydrophobicContact CG1-CG2 4.5Å; I231-V241 HydrophobicContact CG2-CG2 4.35Å; A234-V241 HydrophobicContact CB-CG2 3.35Å; V241-V243 HydrophobicContact CG1-CG2 4.16Å
242L98.8Very high97.6Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-94112.1161.217555.8000110.4P160 D174 V175 M181 I186 Y188 L190 H244P160-L242 HydrophobicContact CB-CD1 3.56Å; P160-L242 HydrophobicContact CB-CD2 4.5Å; P160-L242 HydrophobicContact CG-CD1 4.35Å; D174-L242 HydrophobicContact CB-CD2 4.41Å; V175-L242 HydrophobicContact CB-CD2 3.72Å; V175-L242 HydrophobicContact CG2-CD2 4.21Å; M181-L242 HydrophobicContact SD-CB 4.45Å; M181-L242 HydrophobicContact SD-CD2 3.59Å; M181-L242 VanDerWaalsContact SD-CD2 3.59Å; I186-L242 HydrophobicContact CD1-CB 4.32Å; I186-L242 HydrophobicContact CG2-CB 3.64Å; Y188-L242 PolarHBondContact O-N 3.34Å; L190-L242 PolarHBondContact N-O 2.89Å; L242-H244 HydrophobicContact CD1-CB 4.4Å; L242-H244 HydrophobicContact CG-CB 4.2Å
243V98.8Very high97.7Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-88.2114.3167.1-177.40000107.8L167 Y168 L169 G170 L190 I231 V241 I255L167-V243 HydrophobicContact CD1-CB 4.49Å; L167-V243 HydrophobicContact CD1-CG2 3.54Å; Y168-V243 PolarHBondContact O-N 3.31Å; L169-V243 WeakPolarHBondContact CA-O 3.32Å; G170-V243 PolarHBondContact N-O 3.37Å; L190-V243 HydrophobicContact CB-CG2 4.13Å; L190-V243 HydrophobicContact CD1-CG2 4.4Å; L190-V243 HydrophobicContact CD2-CG1 4.44Å; L190-V243 WeakPolarHBondContact O-CA 3.47Å; I231-V243 HydrophobicContact CD1-CG2 3.89Å; I231-V243 HydrophobicContact CG1-CG2 4.38Å; V241-V243 HydrophobicContact CG1-CG2 4.16Å; V243-I255 HydrophobicContact CG1-CB 4.04Å; V243-I255 HydrophobicContact CG1-CG2 3.97Å
244H98.7Very high97.7Very high0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-133.5161.2-178.385.197.2000113.1G170 L190 N191 A192 L242 S252G170-H244 VanDerWaalsContact O-CA 3.29Å; G170-H244 WeakPolarHBondContact O-CA 3.34Å; G170-H244 WeakPolarHBondContact O-CB 3.47Å; L190-H244 PolarHBondContact O-CD2 3.42Å; L190-H244 PolarHBondContact O-N 2.94Å; N191-H244 VanDerWaalsContact CB-NE2 3.27Å; N191-H244 WeakPolarHBondContact CB-NE2 3.4Å; N191-H244 VanDerWaalsContact CG-CE1 3.47Å; N191-H244 VanDerWaalsContact CG-NE2 3.25Å; N191-H244 PolarHBondContact ND2-NE2 3.34Å; A192-H244 PolarHBondContact N-O 3.22Å; L242-H244 HydrophobicContact CD1-CB 4.4Å; L242-H244 HydrophobicContact CG-CB 4.2Å; H244-S252 VanDerWaalsContact C-CB 3.4Å
245C98.4Very high97.7Very high1 Ų132.7 Ų32.71%0.00719%0.191CC..  trans-134.2-159.2162.772.90000108C171 Q172 A192 G248 R251 S252C171-C245 CarbonylContact C-O 3.58Å; C171-C245 VanDerWaalsContact C-O 3.28Å; C171-C245 WeakPolarHBondContact CA-O 3.46Å; Q172-C245 PolarHBondContact N-O 3.29Å; A192-C245 HydrophobicContact CB-CB 4.28Å; A192-C245 WeakPolarHBondContact O-CB 3.35Å; C245-G248 PolarHBondContact SG-N 3.07Å; C245-R251 HydrophobicContact CB-CB 3.88Å; C245-S252 PolarHBondContact N-OG 2.83Å; C245-S252 PolarHBondContact SG-OG 2.95Å
246L96.2Very high97.8Very high89 Ų8929.7 Ų29.747%0.46618%0.178SC..SBendtrans-58.4-56177-177.261.7000112.4C171 Q172C171-L246 WeakPolarHBondContact CB-O 3.5Å; Q172-L246 HydrophobicContact CB-CD1 4.39Å; Q172-L246 PolarHBondContact N-O 3.38Å
247A94.3Very high97.9Very high53 Ų5325.7 Ų25.744%0.43815%0.145SC..SBendtrans-106.3-14.7-173.100000115.1C171 I249C171-A247 WeakPolarHBondContact CB-O 3.4Å; A247-I249 HydrophobicContact CB-CB 4.5Å; A247-I249 HydrophobicContact CB-CD1 4.01Å; A247-I249 HydrophobicContact CB-CG1 4.12Å
248G96.8Very high98Very high0 Ų022.7 Ų22.70%012%0.124CC..SBendtrans67.437-175.700000114.2G170 C245 R279G170-G248 WeakPolarHBondContact O-CA 3.49Å; C245-G248 PolarHBondContact SG-N 3.07Å; G248-R279 PolarHBondContact O-NE 3.09Å; G248-R279 PolarHBondContact O-NH2 2.85Å
249I97.5Very high98.1Very high68 Ų6815.7 Ų15.735%0.3499%0.087SC..SBendtrans-117.7-53.6-175.1-66.4177.1000111.8A247 A253 I282 S283A247-I249 HydrophobicContact CB-CB 4.5Å; A247-I249 HydrophobicContact CB-CD1 4.01Å; A247-I249 HydrophobicContact CB-CG1 4.12Å; I249-A253 VanDerWaalsContact O-CB 3.25Å; I249-A253 WeakPolarHBondContact O-CB 3.33Å; I249-I282 WeakPolarHBondContact O-CA 3.39Å; I249-S283 CarbonylContact O-C 3.59Å; I249-S283 PolarHBondContact O-N 3.47Å
250S98.4Very high98.2Very high6 Ų615 Ų154%0.0428%0.08CC..SBendtrans-111-77-170.9168.70000113.3D214 S252 A253 T254 S283 N285 F288D214-S250 WeakPolarHBondContact OD1-CB 3.44Å; D214-S250 PolarHBondContact OD1-OG 3.11Å; D214-S250 WeakPolarHBondContact OD2-CB 3.05Å; S250-S252 PolarHBondContact O-N 3.01Å; S250-A253 PolarHBondContact O-N 2.79Å; S250-T254 PolarHBondContact O-N 2.83Å; S250-T254 PolarHBondContact O-OG1 2.51Å; S250-S283 WeakPolarHBondContact CB-O 3.43Å; S250-N285 PolarHBondContact OG-N 3.39Å; S250-F288 WeakPolarHBondContact OG-CD2 3.44Å
251R98.8Very high98.2Very high22 Ų2211.7 Ų11.78%0.0837%0.067CC..Hα-helixtrans-50.6-54.6-176.1-76.4168.9-81.3177.7-2.3115.1A192 V212 N213 D214 C245 T254 I255 F288A192-R251 HydrophobicContact CB-CB 4.05Å; A192-R251 WeakPolarHBondContact O-CD 3.26Å; V212-R251 HydrophobicContact CG2-CB 4.5Å; V212-R251 HydrophobicContact CG2-CG 4.02Å; V212-R251 WeakPolarHBondContact O-CD 3.49Å; V212-R251 PolarHBondContact O-NH1 2.79Å; N213-R251 WeakPolarHBondContact O-CD 3.49Å; D214-R251 HydrophobicContact CB-CG 4.49Å; D214-R251 WeakPolarHBondContact OD2-CG 3.38Å; D214-R251 IonicContact OD2-CZ 3.1Å; D214-R251 IonicContact OD2-NE 2.96Å; D214-R251 PolarHBondContact OD2-NE 3.18Å; D214-R251 IonicContact OD2-NH2 2.71Å; C245-R251 HydrophobicContact CB-CB 3.88Å; R251-T254 WeakPolarHBondContact O-CB 3.45Å; R251-T254 PolarHBondContact O-N 2.83Å; R251-I255 PolarHBondContact O-N 3.32Å; R251-F288 HydrophobicContact CG-CE2 3.58Å; R251-F288 HydrophobicContact CG-CZ 4.11Å
252S98.8Very high98.2Very high0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-70.4-33.5-17949.40000113.1L169 H244 C245 S250 T254 I255 A256L169-S252 WeakPolarHBondContact CD1-OG 3.39Å; H244-S252 VanDerWaalsContact C-CB 3.4Å; C245-S252 PolarHBondContact N-OG 2.83Å; C245-S252 PolarHBondContact SG-OG 2.95Å; S250-S252 PolarHBondContact O-N 3.01Å; S252-T254 VanDerWaalsContact C-N 3.31Å; S252-I255 PolarHBondContact O-N 3.26Å; S252-A256 WeakPolarHBondContact O-CB 3.38Å; S252-A256 PolarHBondContact O-N 3.48Å
253A98.8Very high98Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-64.2-38.6173.200000111.2L169 I249 S250 I255 A256 I257 I282 P284L169-A253 HydrophobicContact CD2-CB 4.19Å; I249-A253 VanDerWaalsContact O-CB 3.25Å; I249-A253 WeakPolarHBondContact O-CB 3.33Å; S250-A253 PolarHBondContact O-N 2.79Å; A253-I255 PolarHBondContact O-N 2.82Å; A253-A256 PolarHBondContact O-N 2.83Å; A253-I257 WeakPolarHBondContact O-CB 3.2Å; A253-I257 WeakPolarHBondContact O-CD1 3.36Å; A253-I257 WeakPolarHBondContact O-CG1 3.49Å; A253-I257 PolarHBondContact O-N 2.89Å; A253-I282 HydrophobicContact CB-CB 3.81Å; A253-I282 HydrophobicContact CB-CG2 3.63Å; A253-P284 HydrophobicContact CB-CG 4.2Å
254T98.9Very high97.8Very high0 Ų023.6 Ų23.60%012%0.119CC..Hα-helixtrans-58.3-46.9174.9-52.90000111.3I220 S250 R251 S252 I257 A258 F288 L292I220-T254 HydrophobicContact CD1-CG2 4.15Å; I220-T254 HydrophobicContact CG2-CG2 4.01Å; S250-T254 PolarHBondContact O-N 2.83Å; S250-T254 PolarHBondContact O-OG1 2.51Å; R251-T254 WeakPolarHBondContact O-CB 3.45Å; R251-T254 PolarHBondContact O-N 2.83Å; S252-T254 VanDerWaalsContact C-N 3.31Å; T254-I257 PolarHBondContact O-N 3.15Å; T254-A258 WeakPolarHBondContact O-CB 3.39Å; T254-A258 PolarHBondContact O-N 2.96Å; T254-F288 HydrophobicContact CG2-CB 3.82Å; T254-F288 HydrophobicContact CG2-CG 4.33Å; T254-L292 HydrophobicContact CG2-CD1 3.8Å; T254-L292 HydrophobicContact CG2-CD2 4.04Å; T254-L292 HydrophobicContact CG2-CG 3.85Å
255I98.9Very high97.7Very high2 Ų229.6 Ų29.61%0.0115%0.151CC..Hα-helixtrans-66.5-40.6177.2-63.7179.4000111.4L190 A192 V210 I220 L224 V243 R251 S252 A253 A258 Y259L190-I255 HydrophobicContact CD1-CG2 4.16Å; L190-I255 HydrophobicContact CD2-CD1 3.86Å; A192-I255 HydrophobicContact CB-CD1 3.76Å; V210-I255 HydrophobicContact CB-CD1 4.28Å; V210-I255 HydrophobicContact CG1-CD1 4.17Å; V210-I255 HydrophobicContact CG2-CD1 4.25Å; I220-I255 HydrophobicContact CD1-CD1 4.36Å; I220-I255 HydrophobicContact CD1-CG1 4Å; I220-I255 HydrophobicContact CG1-CG1 4.47Å; L224-I255 HydrophobicContact CD2-CG1 4.16Å; V243-I255 HydrophobicContact CG1-CB 4.04Å; V243-I255 HydrophobicContact CG1-CG2 3.97Å; R251-I255 PolarHBondContact O-N 3.32Å; S252-I255 PolarHBondContact O-N 3.26Å; A253-I255 PolarHBondContact O-N 2.82Å; I255-A258 PolarHBondContact O-N 3.2Å; I255-Y259 WeakPolarHBondContact O-CB 3.42Å; I255-Y259 PolarHBondContact O-N 3.43Å
256A98.9Very high97.6Very high0 Ų031.8 Ų31.80%016%0.162CC..Hα-helixtrans-62.1-44.1175.700000111.9L169 S252 A253 Y259 I260 V275L169-A256 HydrophobicContact CD1-CB 4.42Å; L169-A256 HydrophobicContact CD2-CB 4.22Å; S252-A256 WeakPolarHBondContact O-CB 3.38Å; S252-A256 PolarHBondContact O-N 3.48Å; A253-A256 PolarHBondContact O-N 2.83Å; A256-Y259 PolarHBondContact O-N 3.42Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 3.38Å; A256-V275 HydrophobicContact CB-CG1 4.5Å
257I98.9Very high97.7Very high0 Ų029 Ų290%015%0.149CC..Hα-helixtrans-62.7-48.1176.2-67.9161.4000110.5A253 T254 Y259 I260 M261 L268 A271 Y272 V275 I282 P284 L292A253-I257 WeakPolarHBondContact O-CB 3.2Å; A253-I257 WeakPolarHBondContact O-CD1 3.36Å; A253-I257 WeakPolarHBondContact O-CG1 3.49Å; A253-I257 PolarHBondContact O-N 2.89Å; T254-I257 PolarHBondContact O-N 3.15Å; I257-Y259 VanDerWaalsContact C-N 3.26Å; I257-Y259 PolarHBondContact O-N 3.36Å; I257-I260 PolarHBondContact O-N 2.98Å; I257-I260 VanDerWaalsContact O-N 3.08Å; I257-M261 HydrophobicContact CG2-CG 4.34Å; I257-M261 HydrophobicContact CG2-SD 3.89Å; I257-M261 VanDerWaalsContact O-CG 3.3Å; I257-M261 WeakPolarHBondContact O-CG 3.36Å; I257-M261 PolarHBondContact O-N 3.16Å; I257-L268 HydrophobicContact CG2-CD1 3.68Å; I257-A271 HydrophobicContact CG2-CB 3.92Å; I257-Y272 HydrophobicContact CD1-CD2 3.77Å; I257-Y272 HydrophobicContact CD1-CE2 4.47Å; I257-Y272 HydrophobicContact CD1-CG 4.43Å; I257-V275 HydrophobicContact CG1-CB 4.08Å; I257-V275 HydrophobicContact CG1-CG2 3.93Å; I257-I282 HydrophobicContact CD1-CD1 4.2Å; I257-P284 HydrophobicContact CD1-CG 3.88Å; I257-L292 HydrophobicContact CB-CD1 4.22Å; I257-L292 HydrophobicContact CG2-CD1 3.88Å
258A98.8Very high97.9Very high1 Ų127.2 Ų27.21%0.00813%0.132CC..Hα-helixtrans-54.8-42.3175.400000112.4L224 T254 I255 M261 K262 L292 F295L224-A258 HydrophobicContact CB-CB 4.37Å; L224-A258 HydrophobicContact CD1-CB 3.93Å; L224-A258 HydrophobicContact CD2-CB 3.82Å; L224-A258 HydrophobicContact CG-CB 4.25Å; T254-A258 WeakPolarHBondContact O-CB 3.39Å; T254-A258 PolarHBondContact O-N 2.96Å; I255-A258 PolarHBondContact O-N 3.2Å; A258-M261 PolarHBondContact O-N 3.16Å; A258-K262 WeakPolarHBondContact O-CB 3.15Å; A258-K262 PolarHBondContact O-N 2.68Å; A258-L292 HydrophobicContact CB-CD2 3.7Å; A258-F295 HydrophobicContact CB-CD1 3.94Å; A258-F295 HydrophobicContact CB-CE1 3.76Å
259Y98.8Very high97.9Very high2 Ų231.7 Ų31.71%0.00816%0.156CC..Hα-helixtrans-63.7-44.8175.8177-87.4000112.2L164 H166 L167 V228 I231 E232 I255 A256 I257 K262 R263L164-Y259 HydrophobicContact CD1-CE1 3.84Å; H166-Y259 AromaticContact NE2-CE1 3.97Å; H166-Y259 AromaticContact NE2-CZ 3.62Å; H166-Y259 PolarHBondContact NE2-OH 3.33Å; L167-Y259 HydrophobicContact CD2-CD1 3.39Å; L167-Y259 HydrophobicContact CD2-CE1 3.75Å; L167-Y259 HydrophobicContact CD2-CG 4.11Å; V228-Y259 HydrophobicContact CB-CD2 4.31Å; V228-Y259 HydrophobicContact CG1-CD2 4Å; V228-Y259 HydrophobicContact CG1-CE2 4.3Å; V228-Y259 HydrophobicContact CG2-CD2 4.12Å; I231-Y259 HydrophobicContact CB-CD2 3.82Å; I231-Y259 HydrophobicContact CB-CE2 3.66Å; I231-Y259 HydrophobicContact CD1-CD2 3.72Å; I231-Y259 HydrophobicContact CD1-CE2 4.41Å; I231-Y259 HydrophobicContact CD1-CG 4.01Å; I231-Y259 HydrophobicContact CG1-CD2 4.39Å; I231-Y259 HydrophobicContact CG2-CD2 3.76Å; I231-Y259 HydrophobicContact CG2-CE1 4.29Å; I231-Y259 HydrophobicContact CG2-CE2 3.3Å; I231-Y259 HydrophobicContact CG2-CG 4.43Å; E232-Y259 HydrophobicContact CG-CE2 4.24Å; E232-Y259 WeakPolarHBondContact OE1-CE2 3.26Å; E232-Y259 PolarHBondContact OE1-OH 2.89Å; I255-Y259 WeakPolarHBondContact O-CB 3.42Å; I255-Y259 PolarHBondContact O-N 3.43Å; A256-Y259 PolarHBondContact O-N 3.42Å; I257-Y259 VanDerWaalsContact C-N 3.26Å; I257-Y259 PolarHBondContact O-N 3.36Å; Y259-K262 PolarHBondContact O-N 2.79Å; Y259-R263 HydrophobicContact CD1-CG 4.48Å; Y259-R263 HydrophobicContact CD2-CG 4.02Å; Y259-R263 HydrophobicContact CE1-CB 4.18Å; Y259-R263 HydrophobicContact CE1-CG 4.11Å; Y259-R263 HydrophobicContact CE2-CG 3.59Å; Y259-R263 HydrophobicContact CG-CG 4.44Å; Y259-R263 VanDerWaalsContact O-CB 3.25Å; Y259-R263 WeakPolarHBondContact O-CB 3.4Å; Y259-R263 WeakPolarHBondContact O-CG 3.19Å; Y259-R263 PolarHBondContact O-N 2.79Å
260I98.6Very high98Very high0 Ų032.3 Ų32.30%016%0.158CC..Hα-helixtrans-61.2-46.9176.3-65-59.2000111.1I163 L164 A256 I257 K262 R263 M264 M266 A271 F274 V275I163-I260 HydrophobicContact CG2-CD1 3.99Å; I163-I260 HydrophobicContact CG2-CG1 4.25Å; L164-I260 HydrophobicContact CD1-CD1 3.5Å; L164-I260 HydrophobicContact CG-CD1 3.97Å; A256-I260 WeakPolarHBondContact O-CG1 3.26Å; A256-I260 PolarHBondContact O-N 3.38Å; I257-I260 PolarHBondContact O-N 2.98Å; I257-I260 VanDerWaalsContact O-N 3.08Å; I260-K262 PolarHBondContact O-N 2.84Å; I260-R263 PolarHBondContact O-N 2.96Å; I260-M264 HydrophobicContact CD1-SD 3.87Å; I260-M264 HydrophobicContact CG2-CB 4.48Å; I260-M264 HydrophobicContact CG2-SD 4.05Å; I260-M264 WeakPolarHBondContact O-CB 3.33Å; I260-M264 PolarHBondContact O-N 2.84Å; I260-M266 HydrophobicContact CG2-SD 3.59Å; I260-M266 VanDerWaalsContact CG2-SD 3.59Å; I260-A271 HydrophobicContact CB-CB 4.08Å; I260-A271 HydrophobicContact CG2-CB 3.72Å; I260-F274 HydrophobicContact CD1-CD1 4.01Å; I260-F274 HydrophobicContact CD1-CE1 3.63Å; I260-F274 HydrophobicContact CG1-CD1 4.02Å; I260-F274 HydrophobicContact CG1-CE1 4.16Å; I260-F274 HydrophobicContact CG2-CD1 4Å; I260-V275 HydrophobicContact CG1-CG2 4.02Å
261M98.4Very high98Very high1 Ų132 Ų321%0.00516%0.156CC..Hα-helixtrans-54-52.9174.8-62.9163.169.400111.1I257 A258 R263 D265 M266 L268 A271 L292 E296 I299I257-M261 HydrophobicContact CG2-CG 4.34Å; I257-M261 HydrophobicContact CG2-SD 3.89Å; I257-M261 VanDerWaalsContact O-CG 3.3Å; I257-M261 WeakPolarHBondContact O-CG 3.36Å; I257-M261 PolarHBondContact O-N 3.16Å; A258-M261 PolarHBondContact O-N 3.16Å; M261-R263 VanDerWaalsContact C-N 3.3Å; M261-R263 PolarHBondContact O-N 2.96Å; M261-D265 WeakPolarHBondContact O-CA 3.31Å; M261-D265 PolarHBondContact O-N 3.47Å; M261-M266 WeakPolarHBondContact CA-O 3.27Å; M261-M266 WeakPolarHBondContact CB-O 3.46Å; M261-L268 HydrophobicContact CE-CB 3.97Å; M261-L268 HydrophobicContact SD-CB 4.32Å; M261-L268 HydrophobicContact SD-CD1 3.97Å; M261-A271 HydrophobicContact CB-CB 4.45Å; M261-A271 HydrophobicContact CG-CB 3.4Å; M261-A271 VanDerWaalsContact CG-CB 3.4Å; M261-L292 HydrophobicContact SD-CD2 4.16Å; M261-E296 HydrophobicContact CE-CB 3.52Å; M261-E296 HydrophobicContact CE-CG 3.8Å; M261-I299 HydrophobicContact CB-CD1 4.02Å
262K97.1Very high98Very high71 Ų7133.8 Ų33.831%0.30916%0.163SC..Hα-helixtrans-68.3-23.9-176.5-171.365.4-178.2179.20113.8V228 A258 Y259 I260 F295 I299V228-K262 HydrophobicContact CG1-CG 4.06Å; V228-K262 HydrophobicContact CG2-CB 4.28Å; V228-K262 HydrophobicContact CG2-CG 4.39Å; A258-K262 WeakPolarHBondContact O-CB 3.15Å; A258-K262 PolarHBondContact O-N 2.68Å; Y259-K262 PolarHBondContact O-N 2.79Å; I260-K262 PolarHBondContact O-N 2.84Å; K262-F295 HydrophobicContact CB-CE1 4.27Å; K262-F295 HydrophobicContact CB-CZ 4.47Å; K262-I299 HydrophobicContact CB-CD1 4.1Å; K262-I299 HydrophobicContact CD-CD1 4.02Å; K262-I299 HydrophobicContact CD-CG1 3.75Å; K262-I299 HydrophobicContact CD-CG2 4.46Å
263R95.9Very high97.9Very high102 Ų10238.9 Ų38.939%0.38518%0.182SC..Hα-helixtrans-113-14.2-171.6-67.9-51.2-45.1-133.6-9.7116.2V228 E232 Y259 I260 M261V228-R263 HydrophobicContact CG1-CG 4.36Å; E232-R263 IonicContact OE1-CZ 2.73Å; E232-R263 IonicContact OE1-NE 3.69Å; E232-R263 IonicContact OE1-NH1 3.98Å; E232-R263 IonicContact OE2-CZ 3.81Å; E232-R263 IonicContact OE2-NH1 2.66Å; E232-R263 PolarHBondContact OE2-NH1 3.07Å; E232-R263 IonicContact OE2-NH2 2.67Å; E232-R263 PolarHBondContact OE2-NH2 2.82Å; Y259-R263 HydrophobicContact CD1-CG 4.48Å; Y259-R263 HydrophobicContact CD2-CG 4.02Å; Y259-R263 HydrophobicContact CE1-CB 4.18Å; Y259-R263 HydrophobicContact CE1-CG 4.11Å; Y259-R263 HydrophobicContact CE2-CG 3.59Å; Y259-R263 HydrophobicContact CG-CG 4.44Å; Y259-R263 VanDerWaalsContact O-CB 3.25Å; Y259-R263 WeakPolarHBondContact O-CB 3.4Å; Y259-R263 WeakPolarHBondContact O-CG 3.19Å; Y259-R263 PolarHBondContact O-N 2.79Å; I260-R263 PolarHBondContact O-N 2.96Å; M261-R263 VanDerWaalsContact C-N 3.3Å; M261-R263 PolarHBondContact O-N 2.96Å
264M95.3Very high97.9Very high78 Ų7840.6 Ų40.638%0.38419%0.19SC..Hα-helixtrans-119.46.2176.3-61.8-179.860.900112.7L164 I260 M266 F274L164-M264 HydrophobicContact CD1-SD 4.37Å; L164-M264 HydrophobicContact CD2-SD 4.18Å; I260-M264 HydrophobicContact CD1-SD 3.87Å; I260-M264 HydrophobicContact CG2-CB 4.48Å; I260-M264 HydrophobicContact CG2-SD 4.05Å; I260-M264 WeakPolarHBondContact O-CB 3.33Å; I260-M264 PolarHBondContact O-N 2.84Å; M264-M266 HydrophobicContact CB-CG 4.04Å; M264-M266 HydrophobicContact CB-SD 4.06Å; M264-M266 HydrophobicContact CE-CE 3.8Å; M264-M266 HydrophobicContact CE-SD 4.22Å; M264-M266 PolarHBondContact O-N 2.8Å; M264-F274 HydrophobicContact CE-CE2 4.17Å; M264-F274 HydrophobicContact CE-CZ 4.21Å; M264-F274 HydrophobicContact SD-CE1 4.32Å; M264-F274 HydrophobicContact SD-CZ 4.18Å
265D95.3Very high97.8Very high125 Ų12540.6 Ų40.667%0.66819%0.19SC*.THydrogen-bonded Turntrans54.133.7-177-151.628.9000113.4M261M261-D265 WeakPolarHBondContact O-CA 3.31Å; M261-D265 PolarHBondContact O-N 3.47Å
266M97Very high97.7Very high48 Ų4843.9 Ų43.924%0.23620%0.204CC..  trans-88.3143.8-179.2-77.2177.9163.900111.4I260 M261 M264 E270 A271I260-M266 HydrophobicContact CG2-SD 3.59Å; I260-M266 VanDerWaalsContact CG2-SD 3.59Å; M261-M266 WeakPolarHBondContact CA-O 3.27Å; M261-M266 WeakPolarHBondContact CB-O 3.46Å; M264-M266 HydrophobicContact CB-CG 4.04Å; M264-M266 HydrophobicContact CB-SD 4.06Å; M264-M266 HydrophobicContact CE-CE 3.8Å; M264-M266 HydrophobicContact CE-SD 4.22Å; M264-M266 PolarHBondContact O-N 2.8Å; M266-E270 HydrophobicContact CB-CB 4.03Å; M266-E270 HydrophobicContact CG-CB 4.14Å; M266-E270 HydrophobicContact SD-CB 4.44Å; M266-A271 HydrophobicContact CB-CB 4.12Å
267S98.1Very high97.5Very high30 Ų3050.6 Ų50.621%0.2124%0.235CC..  trans-62.1165.4164.665.40000111.8D269 E270 A271 E296S267-D269 VanDerWaalsContact C-N 3.27Å; S267-D269 PolarHBondContact O-N 3.01Å; S267-E270 VanDerWaalsContact CB-OE2 3.24Å; S267-E270 WeakPolarHBondContact CB-OE2 3.34Å; S267-E270 PolarHBondContact N-OE2 3.07Å; S267-E270 PolarHBondContact O-N 2.87Å; S267-E270 VanDerWaalsContact OG-CD 3.29Å; S267-E270 WeakPolarHBondContact OG-CG 3.45Å; S267-E270 PolarHBondContact OG-N 2.93Å; S267-E270 PolarHBondContact OG-OE2 3.17Å; S267-A271 VanDerWaalsContact O-CB 3.28Å; S267-A271 WeakPolarHBondContact O-CB 3.34Å; S267-A271 PolarHBondContact O-N 2.75Å; S267-E296 VanDerWaalsContact CA-OE1 3.25Å; S267-E296 WeakPolarHBondContact CA-OE1 3.41Å; S267-E296 WeakPolarHBondContact CB-OE1 3.29Å
268L98.4Very high97.4Very high16 Ų1654.5 Ų54.58%0.08425%0.252CS..Hα-helixtrans-56.1-42.4174174.255.6000111.9I257 M261 Y272 L292 L293 E296I257-L268 HydrophobicContact CG2-CD1 3.68Å; M261-L268 HydrophobicContact CE-CB 3.97Å; M261-L268 HydrophobicContact SD-CB 4.32Å; M261-L268 HydrophobicContact SD-CD1 3.97Å; L268-Y272 WeakPolarHBondContact O-CB 3.4Å; L268-Y272 PolarHBondContact O-N 2.87Å; L268-L292 HydrophobicContact CD1-CB 3.66Å; L268-L292 HydrophobicContact CD1-CD1 3.68Å; L268-L292 HydrophobicContact CD1-CG 4.26Å; L268-L292 HydrophobicContact CD2-CB 3.89Å; L268-L292 HydrophobicContact CG-CB 4.39Å; L268-L293 HydrophobicContact CB-CD2 4.49Å; L268-L293 HydrophobicContact CD2-CD2 3.61Å; L268-L293 HydrophobicContact CD2-CG 3.62Å; L268-E296 PolarHBondContact N-OE1 3.32Å
269D97.8Very high97.2Very high94 Ų9454.8 Ų54.850%0.50325%0.253SS..Hα-helixtrans-65.1-46.3-178.617867.9000111.9S267 Y272 R273S267-D269 VanDerWaalsContact C-N 3.27Å; S267-D269 PolarHBondContact O-N 3.01Å; D269-Y272 PolarHBondContact O-N 3.43Å; D269-R273 WeakPolarHBondContact O-CB 3.41Å; D269-R273 WeakPolarHBondContact O-CG 3.11Å; D269-R273 PolarHBondContact O-N 3.4Å; D269-R273 IonicContact OD1-NE 3.79Å; D269-R273 IonicContact OD2-CZ 2.61Å; D269-R273 IonicContact OD2-NE 2.66Å; D269-R273 PolarHBondContact OD2-NE 3Å; D269-R273 IonicContact OD2-NH2 3.39Å; D269-R273 PolarHBondContact OD2-NH2 3.05Å
270E97.9Very high97Very high81 Ų8157.7 Ų57.738%0.37927%0.272SS..Hα-helixtrans-63.7-46.3176.9-67.9162.9126.800112M266 S267 R273 F274M266-E270 HydrophobicContact CB-CB 4.03Å; M266-E270 HydrophobicContact CG-CB 4.14Å; M266-E270 HydrophobicContact SD-CB 4.44Å; S267-E270 VanDerWaalsContact CB-OE2 3.24Å; S267-E270 WeakPolarHBondContact CB-OE2 3.34Å; S267-E270 PolarHBondContact N-OE2 3.07Å; S267-E270 PolarHBondContact O-N 2.87Å; S267-E270 VanDerWaalsContact OG-CD 3.29Å; S267-E270 WeakPolarHBondContact OG-CG 3.45Å; S267-E270 PolarHBondContact OG-N 2.93Å; S267-E270 PolarHBondContact OG-OE2 3.17Å; E270-R273 VanDerWaalsContact CG-NH2 3.3Å; E270-R273 PolarHBondContact O-N 2.81Å; E270-F274 WeakPolarHBondContact O-CB 3.1Å; E270-F274 PolarHBondContact O-N 2.87Å
271A98.5Very high96.8Very high0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-66.6-37178.500000112.2I257 I260 M261 M266 S267 V275I257-A271 HydrophobicContact CG2-CB 3.92Å; I260-A271 HydrophobicContact CB-CB 4.08Å; I260-A271 HydrophobicContact CG2-CB 3.72Å; M261-A271 HydrophobicContact CB-CB 4.45Å; M261-A271 HydrophobicContact CG-CB 3.4Å; M261-A271 VanDerWaalsContact CG-CB 3.4Å; M266-A271 HydrophobicContact CB-CB 4.12Å; S267-A271 VanDerWaalsContact O-CB 3.28Å; S267-A271 WeakPolarHBondContact O-CB 3.34Å; S267-A271 PolarHBondContact O-N 2.75Å; A271-V275 WeakPolarHBondContact O-CG2 3.4Å; A271-V275 PolarHBondContact O-N 3.36Å
272Y98.6Very high96.8Very high58 Ų5860.5 Ų60.523%0.22729%0.289CS..Hα-helixtrans-62.4-50.7172.7-176.9-81.7000110.5I257 L268 D269 F274 V275 K276 P284 L289I257-Y272 HydrophobicContact CD1-CD2 3.77Å; I257-Y272 HydrophobicContact CD1-CE2 4.47Å; I257-Y272 HydrophobicContact CD1-CG 4.43Å; L268-Y272 WeakPolarHBondContact O-CB 3.4Å; L268-Y272 PolarHBondContact O-N 2.87Å; D269-Y272 PolarHBondContact O-N 3.43Å; Y272-F274 PolarHBondContact O-N 3.38Å; Y272-V275 PolarHBondContact O-N 2.87Å; Y272-K276 HydrophobicContact CD1-CB 4.31Å; Y272-K276 HydrophobicContact CE1-CB 4.2Å; Y272-K276 HydrophobicContact CE1-CD 4.26Å; Y272-K276 HydrophobicContact CE1-CG 4.18Å; Y272-K276 WeakPolarHBondContact O-CB 3.2Å; Y272-K276 PolarHBondContact O-N 2.88Å; Y272-P284 HydrophobicContact CE2-CG 4.22Å; Y272-L289 HydrophobicContact CD2-CD2 4.03Å; Y272-L289 HydrophobicContact CE2-CD2 4.09Å
273R97.6Very high96.8Very high108 Ų10860.4 Ų60.441%0.40830%0.298SS..Hα-helixtrans-58.6-47.2177.6-75.1-174.9-76.1104.6-6.5111.9D269 E270 V275 K276 E277D269-R273 WeakPolarHBondContact O-CB 3.41Å; D269-R273 WeakPolarHBondContact O-CG 3.11Å; D269-R273 PolarHBondContact O-N 3.4Å; D269-R273 IonicContact OD1-NE 3.79Å; D269-R273 IonicContact OD2-CZ 2.61Å; D269-R273 IonicContact OD2-NE 2.66Å; D269-R273 PolarHBondContact OD2-NE 3Å; D269-R273 IonicContact OD2-NH2 3.39Å; D269-R273 PolarHBondContact OD2-NH2 3.05Å; E270-R273 VanDerWaalsContact CG-NH2 3.3Å; E270-R273 PolarHBondContact O-N 2.81Å; R273-V275 VanDerWaalsContact C-N 3.32Å; R273-V275 PolarHBondContact O-N 3.49Å; R273-K276 WeakPolarHBondContact O-CB 3.45Å; R273-K276 PolarHBondContact O-N 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.37Å; R273-E277 PolarHBondContact O-N 3.03Å
274F97.7Very high96.9Very high36 Ų3655.8 Ų55.816%0.15828%0.281CS..Hα-helixtrans-57.4-38.4178.1-179.9-93.3000113.8I163 L164 I260 M264 E270 Y272 K278I163-F274 HydrophobicContact CG2-CD1 4.42Å; I163-F274 HydrophobicContact CG2-CE1 3.95Å; L164-F274 HydrophobicContact CD2-CE1 4.27Å; L164-F274 HydrophobicContact CD2-CZ 3.92Å; I260-F274 HydrophobicContact CD1-CD1 4.01Å; I260-F274 HydrophobicContact CD1-CE1 3.63Å; I260-F274 HydrophobicContact CG1-CD1 4.02Å; I260-F274 HydrophobicContact CG1-CE1 4.16Å; I260-F274 HydrophobicContact CG2-CD1 4Å; M264-F274 HydrophobicContact CE-CE2 4.17Å; M264-F274 HydrophobicContact CE-CZ 4.21Å; M264-F274 HydrophobicContact SD-CE1 4.32Å; M264-F274 HydrophobicContact SD-CZ 4.18Å; E270-F274 WeakPolarHBondContact O-CB 3.1Å; E270-F274 PolarHBondContact O-N 2.87Å; Y272-F274 PolarHBondContact O-N 3.38Å; F274-K278 HydrophobicContact CE1-CD 4.31Å; F274-K278 WeakPolarHBondContact O-CE 3.36Å; F274-K278 WeakPolarHBondContact O-CG 3.44Å
275V98.1Very high96.9Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-80.7-33.5175.6-174.20000111I163 L169 A256 I257 I260 A271 Y272 R273 K278 R279 I282I163-V275 HydrophobicContact CD1-CG1 4Å; I163-V275 HydrophobicContact CG2-CG2 4.19Å; L169-V275 HydrophobicContact CD2-CG1 3.58Å; A256-V275 HydrophobicContact CB-CG1 4.5Å; I257-V275 HydrophobicContact CG1-CB 4.08Å; I257-V275 HydrophobicContact CG1-CG2 3.93Å; I260-V275 HydrophobicContact CG1-CG2 4.02Å; A271-V275 WeakPolarHBondContact O-CG2 3.4Å; A271-V275 PolarHBondContact O-N 3.36Å; Y272-V275 PolarHBondContact O-N 2.87Å; R273-V275 VanDerWaalsContact C-N 3.32Å; R273-V275 PolarHBondContact O-N 3.49Å; V275-K278 PolarHBondContact O-N 3.14Å; V275-R279 PolarHBondContact O-N 2.82Å; V275-I282 HydrophobicContact CB-CD1 3.9Å; V275-I282 HydrophobicContact CG1-CD1 3.79Å; V275-I282 HydrophobicContact CG1-CG2 4.45Å
276K96.9Very high96.9Very high71 Ų7155.1 Ų55.131%0.30927%0.271SS..Hα-helixtrans-66.8-41.5178.9-174.267.1166.2178.80112.8Y272 R273 K278 R279 P280 I282Y272-K276 HydrophobicContact CD1-CB 4.31Å; Y272-K276 HydrophobicContact CE1-CB 4.2Å; Y272-K276 HydrophobicContact CE1-CD 4.26Å; Y272-K276 HydrophobicContact CE1-CG 4.18Å; Y272-K276 WeakPolarHBondContact O-CB 3.2Å; Y272-K276 PolarHBondContact O-N 2.88Å; R273-K276 WeakPolarHBondContact O-CB 3.45Å; R273-K276 PolarHBondContact O-N 3.17Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.13Å; K276-R279 CarbonylContact O-C 3.27Å; K276-R279 PolarHBondContact O-N 2.88Å; K276-P280 WeakPolarHBondContact CE-O 3.3Å; K276-P280 PolarHBondContact NZ-O 2.89Å; K276-P280 VanDerWaalsContact O-CA 3.25Å; K276-P280 WeakPolarHBondContact O-CA 3.3Å; K276-P280 VanDerWaalsContact O-N 3.07Å; K276-I282 HydrophobicContact CB-CD1 3.97Å; K276-I282 HydrophobicContact CB-CG1 4.2Å; K276-I282 HydrophobicContact CD-CD1 4.27Å; K276-I282 HydrophobicContact CD-CG1 3.56Å; K276-I282 PolarHBondContact NZ-O 2.96Å
277E95.1Very high96.9Very high141 Ų14154.6 Ų54.666%0.65927%0.269SS*.Hα-helixtrans-59-39.8174.9-74.2162.5-156.700111.6R273R273-E277 WeakPolarHBondContact O-CG 3.37Å; R273-E277 PolarHBondContact O-N 3.03Å
278K95.1Very high96.9Very high82 Ų8253.2 Ų53.236%0.35726%0.259SS..Hα-helixtrans-78.2-37.4178.9-60.2176.7-165.3-64.30112.4T161 I163 F274 V275 K276T161-K278 HydrophobicContact CG2-CB 3.86Å; T161-K278 WeakPolarHBondContact CG2-O 3.48Å; I163-K278 HydrophobicContact CD1-CB 4.06Å; I163-K278 HydrophobicContact CD1-CD 4.13Å; I163-K278 HydrophobicContact CG2-CD 4.35Å; I163-K278 VanDerWaalsContact O-CE 3.26Å; I163-K278 WeakPolarHBondContact O-CE 3.13Å; F274-K278 HydrophobicContact CE1-CD 4.31Å; F274-K278 WeakPolarHBondContact O-CE 3.36Å; F274-K278 WeakPolarHBondContact O-CG 3.44Å; V275-K278 PolarHBondContact O-N 3.14Å; K276-K278 VanDerWaalsContact C-N 3.28Å; K276-K278 PolarHBondContact O-N 3.13Å
279R95.3Very high96.9Very high7 Ų754.3 Ų54.33%0.02627%0.265CS..  trans-130.784.8179.6-168.1174.4-178.590.6-3.4110.3T161 L169 G248 V275 K276 T281 I282T161-R279 HydrophobicContact CG2-CB 4.06Å; T161-R279 WeakPolarHBondContact OG1-CD 3.18Å; T161-R279 WeakPolarHBondContact OG1-CG 3.25Å; T161-R279 PolarHBondContact OG1-NH1 3.24Å; L169-R279 PolarHBondContact O-NH1 2.85Å; G248-R279 PolarHBondContact O-NE 3.09Å; G248-R279 PolarHBondContact O-NH2 2.85Å; V275-R279 PolarHBondContact O-N 2.82Å; K276-R279 CarbonylContact O-C 3.27Å; K276-R279 PolarHBondContact O-N 2.88Å; R279-T281 PolarHBondContact O-N 2.81Å; R279-I282 HydrophobicContact CB-CG2 3.95Å; R279-I282 HydrophobicContact CG-CG2 3.91Å; R279-I282 PolarHBondContact O-N 3.09Å
280P94.1Very high96.9Very high63 Ų6351.3 Ų51.341%0.40926%0.256SS..THydrogen-bonded Turntrans-56.5-21.9-176.5-3037.2000114.8K276 I282K276-P280 WeakPolarHBondContact CE-O 3.3Å; K276-P280 PolarHBondContact NZ-O 2.89Å; K276-P280 VanDerWaalsContact O-CA 3.25Å; K276-P280 WeakPolarHBondContact O-CA 3.3Å; K276-P280 VanDerWaalsContact O-N 3.07Å; P280-I282 VanDerWaalsContact C-N 3.34Å; P280-I282 PolarHBondContact O-N 2.9Å
281T94.6Very high97Very high60 Ų6048.3 Ų48.337%0.36824%0.242SC..THydrogen-bonded Turntrans-79.7-1.8178.959.20000115.1N157 R279N157-T281 PolarHBondContact ND2-OG1 2.92Å; N157-T281 VanDerWaalsContact ND2-OG1 3.15Å; R279-T281 PolarHBondContact O-N 2.81Å
282I97.8Very high97Very high0 Ų048.3 Ų48.30%024%0.242CC..  trans-67141.8176.270.3174.8000111.7L169 I249 A253 I257 V275 K276 R279 P280L169-I282 HydrophobicContact CD2-CG2 3.9Å; I249-I282 WeakPolarHBondContact O-CA 3.39Å; A253-I282 HydrophobicContact CB-CB 3.81Å; A253-I282 HydrophobicContact CB-CG2 3.63Å; I257-I282 HydrophobicContact CD1-CD1 4.2Å; V275-I282 HydrophobicContact CB-CD1 3.9Å; V275-I282 HydrophobicContact CG1-CD1 3.79Å; V275-I282 HydrophobicContact CG1-CG2 4.45Å; K276-I282 HydrophobicContact CB-CD1 3.97Å; K276-I282 HydrophobicContact CB-CG1 4.2Å; K276-I282 HydrophobicContact CD-CD1 4.27Å; K276-I282 HydrophobicContact CD-CG1 3.56Å; K276-I282 PolarHBondContact NZ-O 2.96Å; R279-I282 HydrophobicContact CB-CG2 3.95Å; R279-I282 HydrophobicContact CG-CG2 3.91Å; R279-I282 PolarHBondContact O-N 3.09Å; P280-I282 VanDerWaalsContact C-N 3.34Å; P280-I282 PolarHBondContact O-N 2.9Å
283S97.2Very high97Very high69 Ų6949.5 Ų49.548%0.48325%0.253SS..  trans-158.676.3173.1-167.10000109.6I249 S250 N285I249-S283 CarbonylContact O-C 3.59Å; I249-S283 PolarHBondContact O-N 3.47Å; S250-S283 WeakPolarHBondContact CB-O 3.43Å; S283-N285 PolarHBondContact O-N 2.92Å
284P97.9Very high97Very high5 Ų548 Ų483%0.03225%0.252CS..  trans-46.4133.8163.1-28.234.9000111.9A253 I257 Y272 L289A253-P284 HydrophobicContact CB-CG 4.2Å; I257-P284 HydrophobicContact CD1-CG 3.88Å; Y272-P284 HydrophobicContact CE2-CG 4.22Å; P284-L289 HydrophobicContact CB-CD2 3.88Å; P284-L289 HydrophobicContact CB-CG 4.06Å; P284-L289 HydrophobicContact CG-CD2 4.36Å
285N95.3Very high97Very high22 Ų2246.3 Ų46.312%0.11825%0.245CC..  trans-66.4157.1175.274.153.6000111.4D214 F216 S250 S283 N287 F288 L289D214-N285 PolarHBondContact OD1-ND2 3.17Å; D214-N285 VanDerWaalsContact OD1-ND2 3.12Å; F216-N285 HydrophobicContact CE1-CB 4.4Å; S250-N285 PolarHBondContact OG-N 3.39Å; S283-N285 PolarHBondContact O-N 2.92Å; N285-N287 VanDerWaalsContact C-N 3.26Å; N285-N287 PolarHBondContact O-N 2.71Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 2.96Å; N285-N287 VanDerWaalsContact OD1-N 3.17Å; N285-F288 WeakPolarHBondContact ND2-CD2 3.35Å; N285-F288 WeakPolarHBondContact ND2-CE2 3.23Å; N285-F288 PolarHBondContact O-N 2.93Å; N285-F288 PolarHBondContact OD1-N 2.95Å; N285-L289 PolarHBondContact O-N 3.16Å
286F95.6Very high97Very high167 Ų16747.8 Ų47.873%0.73225%0.252SS*.Hα-helixtrans-60.4-29.9-173.7-66.7-66.6000114.5F216 L289 G290F216-F286 HydrophobicContact CE1-CD2 4.5Å; F286-L289 HydrophobicContact CD1-CD1 4.2Å; F286-L289 PolarHBondContact O-N 3.23Å; F286-G290 PolarHBondContact O-N 2.96Å
287N97.5Very high97Very high37 Ų3749.7 Ų49.720%0.19826%0.26CS..Hα-helixtrans-65.5-41.8173.9164.144.7000111.1S215 F216 E218 N285 G290 Q291S215-N287 PolarHBondContact O-ND2 2.96Å; F216-N287 HydrophobicContact CB-CB 4.47Å; F216-N287 HydrophobicContact CD1-CB 4.46Å; F216-N287 VanDerWaalsContact O-CG 3.32Å; F216-N287 PolarHBondContact O-ND2 3.13Å; E218-N287 PolarHBondContact O-ND2 3.27Å; N285-N287 VanDerWaalsContact C-N 3.26Å; N285-N287 PolarHBondContact O-N 2.71Å; N285-N287 WeakPolarHBondContact OD1-CB 3.41Å; N285-N287 PolarHBondContact OD1-N 2.96Å; N285-N287 VanDerWaalsContact OD1-N 3.17Å; N287-G290 PolarHBondContact O-N 3.4Å; N287-Q291 VanDerWaalsContact CG-NE2 3.34Å; N287-Q291 PolarHBondContact ND2-NE2 2.84Å; N287-Q291 WeakPolarHBondContact O-CG 3.43Å; N287-Q291 PolarHBondContact O-N 3.28Å; N287-Q291 PolarHBondContact OD1-NE2 3.45Å
288F98.4Very high97Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-70-35.3175.1-65.2-17.1000113.2N213 E218 I220 S250 R251 T254 N285 Q291 L292N213-F288 WeakPolarHBondContact O-CZ 3.36Å; E218-F288 HydrophobicContact CB-CE1 3.98Å; E218-F288 HydrophobicContact CB-CZ 4.1Å; E218-F288 HydrophobicContact CG-CE1 4.24Å; E218-F288 HydrophobicContact CG-CZ 4.19Å; I220-F288 HydrophobicContact CB-CD1 4.1Å; I220-F288 HydrophobicContact CB-CE1 3.92Å; I220-F288 HydrophobicContact CB-CZ 4.48Å; I220-F288 HydrophobicContact CG2-CB 4.45Å; I220-F288 HydrophobicContact CG2-CD1 3.44Å; I220-F288 VanDerWaalsContact CG2-CD1 3.44Å; I220-F288 HydrophobicContact CG2-CE1 3.81Å; I220-F288 HydrophobicContact CG2-CG 3.98Å; S250-F288 WeakPolarHBondContact OG-CD2 3.44Å; R251-F288 HydrophobicContact CG-CE2 3.58Å; R251-F288 HydrophobicContact CG-CZ 4.11Å; T254-F288 HydrophobicContact CG2-CB 3.82Å; T254-F288 HydrophobicContact CG2-CG 4.33Å; N285-F288 WeakPolarHBondContact ND2-CD2 3.35Å; N285-F288 WeakPolarHBondContact ND2-CE2 3.23Å; N285-F288 PolarHBondContact O-N 2.93Å; N285-F288 PolarHBondContact OD1-N 2.95Å; F288-Q291 PolarHBondContact O-N 3.25Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.48Å
289L98.3Very high97Very high39 Ų3943.5 Ų43.520%0.20423%0.232CC..Hα-helixtrans-63.2-41.2170.9-67.1174.5000111.9Y272 P284 N285 F286 L292 L293Y272-L289 HydrophobicContact CD2-CD2 4.03Å; Y272-L289 HydrophobicContact CE2-CD2 4.09Å; P284-L289 HydrophobicContact CB-CD2 3.88Å; P284-L289 HydrophobicContact CB-CG 4.06Å; P284-L289 HydrophobicContact CG-CD2 4.36Å; N285-L289 PolarHBondContact O-N 3.16Å; F286-L289 HydrophobicContact CD1-CD1 4.2Å; F286-L289 PolarHBondContact O-N 3.23Å; L289-L292 HydrophobicContact CD2-CD1 4.47Å; L289-L292 PolarHBondContact O-N 3.02Å; L289-L293 PolarHBondContact O-N 3.43Å
290G98.2Very high96.7Very high31 Ų3148.7 Ų48.732%0.3225%0.254SS..Hα-helixtrans-60.3-45.5172.100000112.8F286 N287 L292 L293 D294F286-G290 PolarHBondContact O-N 2.96Å; N287-G290 PolarHBondContact O-N 3.4Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.49Å; G290-L293 WeakPolarHBondContact O-CB 3.27Å; G290-L293 PolarHBondContact O-N 3.11Å; G290-L293 VanDerWaalsContact O-N 3.14Å; G290-D294 PolarHBondContact O-N 3.32Å; G290-D294 VanDerWaalsContact O-N 3.13Å
291Q98.6Very high96.2Very high18 Ų1852.2 Ų52.28%0.08427%0.27CS..Hα-helixtrans-64.4-30.2175.5-78.3177.666.600113.4E218 I220 L221 N287 F288 D294 F295E218-Q291 PolarHBondContact O-NE2 3.1Å; I220-Q291 HydrophobicContact CG2-CB 4.49Å; L221-Q291 HydrophobicContact CB-CB 4.13Å; L221-Q291 HydrophobicContact CB-CG 4.17Å; N287-Q291 VanDerWaalsContact CG-NE2 3.34Å; N287-Q291 PolarHBondContact ND2-NE2 2.84Å; N287-Q291 WeakPolarHBondContact O-CG 3.43Å; N287-Q291 PolarHBondContact O-N 3.28Å; N287-Q291 PolarHBondContact OD1-NE2 3.45Å; F288-Q291 PolarHBondContact O-N 3.25Å; Q291-D294 PolarHBondContact O-N 3.4Å; Q291-F295 PolarHBondContact O-N 3.5Å
292L98.6Very high95.1Very high0 Ų053.4 Ų53.40%027%0.271CS..Hα-helixtrans-71.6-35171.6-72.9172.7000112.6L224 T254 I257 A258 M261 L268 F288 L289 G290 D294 F295 E296L224-L292 HydrophobicContact CD1-CD2 4.09Å; T254-L292 HydrophobicContact CG2-CD1 3.8Å; T254-L292 HydrophobicContact CG2-CD2 4.04Å; T254-L292 HydrophobicContact CG2-CG 3.85Å; I257-L292 HydrophobicContact CB-CD1 4.22Å; I257-L292 HydrophobicContact CG2-CD1 3.88Å; A258-L292 HydrophobicContact CB-CD2 3.7Å; M261-L292 HydrophobicContact SD-CD2 4.16Å; L268-L292 HydrophobicContact CD1-CB 3.66Å; L268-L292 HydrophobicContact CD1-CD1 3.68Å; L268-L292 HydrophobicContact CD1-CG 4.26Å; L268-L292 HydrophobicContact CD2-CB 3.89Å; L268-L292 HydrophobicContact CG-CB 4.39Å; F288-L292 WeakPolarHBondContact O-CG 3.42Å; F288-L292 PolarHBondContact O-N 3.48Å; L289-L292 HydrophobicContact CD2-CD1 4.47Å; L289-L292 PolarHBondContact O-N 3.02Å; G290-L292 VanDerWaalsContact C-N 3.29Å; G290-L292 PolarHBondContact O-N 3.49Å; L292-D294 VanDerWaalsContact C-N 3.29Å; L292-D294 PolarHBondContact O-N 2.9Å; L292-F295 WeakPolarHBondContact O-CB 3.48Å; L292-F295 PolarHBondContact O-N 2.88Å; L292-E296 PolarHBondContact O-N 3.42Å
293L98.2Very high93.3Very high84 Ų8457 Ų5744%0.4430%0.297SS..Hα-helixtrans-62.1-38.2171-71.5170.1000111.5L268 L289 G290 E296 K297L268-L293 HydrophobicContact CB-CD2 4.49Å; L268-L293 HydrophobicContact CD2-CD2 3.61Å; L268-L293 HydrophobicContact CD2-CG 3.62Å; L289-L293 PolarHBondContact O-N 3.43Å; G290-L293 WeakPolarHBondContact O-CB 3.27Å; G290-L293 PolarHBondContact O-N 3.11Å; G290-L293 VanDerWaalsContact O-N 3.14Å; L293-E296 PolarHBondContact O-N 3.19Å; L293-K297 WeakPolarHBondContact O-CE 3.46Å; L293-K297 WeakPolarHBondContact O-CG 3.2Å; L293-K297 PolarHBondContact O-N 3.28Å
294D98.1Very high91.1Very high75 Ų7556.8 Ų56.840%0.40131%0.305SS..Hα-helixtrans-70.6-33.4174-70-27000112.5L221 G290 Q291 L292 K297 K298L221-D294 HydrophobicContact CD2-CB 4.1Å; G290-D294 PolarHBondContact O-N 3.32Å; G290-D294 VanDerWaalsContact O-N 3.13Å; Q291-D294 PolarHBondContact O-N 3.4Å; L292-D294 VanDerWaalsContact C-N 3.29Å; L292-D294 PolarHBondContact O-N 2.9Å; D294-K297 PolarHBondContact O-N 2.99Å; D294-K297 IonicContact OD1-NZ 2.79Å; D294-K297 PolarHBondContact OD1-NZ 3.33Å; D294-K298 WeakPolarHBondContact O-CB 3.47Å; D294-K298 PolarHBondContact O-N 2.96Å
295F98.3Very high88.4Confident1 Ų163.6 Ų63.60%0.00434%0.336CS..Hα-helixtrans-65.1-39.2170.7-166.3-120.7000112.1L221 L224 A258 K262 Q291 L292 K297 K298 I299L221-F295 HydrophobicContact CD1-CB 3.81Å; L221-F295 HydrophobicContact CD1-CD2 3.84Å; L221-F295 HydrophobicContact CD1-CG 4.25Å; L224-F295 HydrophobicContact CB-CD2 4.1Å; L224-F295 HydrophobicContact CB-CE1 4.39Å; L224-F295 HydrophobicContact CB-CE2 3.77Å; L224-F295 HydrophobicContact CB-CZ 3.94Å; L224-F295 HydrophobicContact CD1-CB 3.93Å; L224-F295 HydrophobicContact CD1-CD1 3.97Å; L224-F295 HydrophobicContact CD1-CD2 3.87Å; L224-F295 HydrophobicContact CD1-CE1 4.43Å; L224-F295 HydrophobicContact CD1-CE2 4.36Å; L224-F295 HydrophobicContact CD1-CG 3.66Å; A258-F295 HydrophobicContact CB-CD1 3.94Å; A258-F295 HydrophobicContact CB-CE1 3.76Å; K262-F295 HydrophobicContact CB-CE1 4.27Å; K262-F295 HydrophobicContact CB-CZ 4.47Å; Q291-F295 PolarHBondContact O-N 3.5Å; L292-F295 WeakPolarHBondContact O-CB 3.48Å; L292-F295 PolarHBondContact O-N 2.88Å; F295-K297 PolarHBondContact O-N 3.48Å; F295-K298 HydrophobicContact CD2-CD 4.31Å; F295-K298 WeakPolarHBondContact O-CB 3.43Å; F295-K298 PolarHBondContact O-N 3.46Å; F295-K298 VanDerWaalsContact O-N 3.17Å; F295-I299 HydrophobicContact CD1-CD1 3.75Å; F295-I299 HydrophobicContact CD1-CG1 4.42Å; F295-I299 HydrophobicContact CE1-CD1 3.64Å; F295-I299 HydrophobicContact CE1-CG1 4.28Å; F295-I299 HydrophobicContact CG-CD1 4.46Å; F295-I299 HydrophobicContact CZ-CD1 4.27Å; F295-I299 HydrophobicContact CZ-CG1 4.46Å; F295-I299 WeakPolarHBondContact O-CG1 3.37Å; F295-I299 PolarHBondContact O-N 2.64Å
296E97.8Very high85.8Confident31 Ų3168.9 Ų68.915%0.14537%0.372CS..Hα-helixtrans-60.2-46.9175.8-159.3-161.6-106.300111.7M261 S267 L268 L292 L293 K298 I299 K300M261-E296 HydrophobicContact CE-CB 3.52Å; M261-E296 HydrophobicContact CE-CG 3.8Å; S267-E296 VanDerWaalsContact CA-OE1 3.25Å; S267-E296 WeakPolarHBondContact CA-OE1 3.41Å; S267-E296 WeakPolarHBondContact CB-OE1 3.29Å; L268-E296 PolarHBondContact N-OE1 3.32Å; L292-E296 PolarHBondContact O-N 3.42Å; L293-E296 PolarHBondContact O-N 3.19Å; E296-K298 VanDerWaalsContact C-N 3.29Å; E296-K298 PolarHBondContact O-N 3.38Å; E296-I299 PolarHBondContact O-N 3.08Å; E296-K300 VanDerWaalsContact CD-NZ 3.25Å; E296-K300 HydrophobicContact CG-CD 4.3Å; E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 2.88Å; E296-K300 IonicContact OE1-NZ 3.43Å; E296-K300 WeakPolarHBondContact OE2-CE 3.19Å; E296-K300 IonicContact OE2-NZ 3.99Å; E296-K300 PolarHBondContact OE2-NZ 3.07Å
297K96.6Very high83.2Confident111 Ų11163.9 Ų63.948%0.48337%0.367SS..Hα-helixtrans-58.2-43173.9-62163.6-154.6166.40110.9L293 D294 F295 I299 K300 N301L293-K297 WeakPolarHBondContact O-CE 3.46Å; L293-K297 WeakPolarHBondContact O-CG 3.2Å; L293-K297 PolarHBondContact O-N 3.28Å; D294-K297 PolarHBondContact O-N 2.99Å; D294-K297 IonicContact OD1-NZ 2.79Å; D294-K297 PolarHBondContact OD1-NZ 3.33Å; F295-K297 PolarHBondContact O-N 3.48Å; K297-I299 PolarHBondContact O-N 3.33Å; K297-K300 PolarHBondContact O-N 3.28Å; K297-N301 WeakPolarHBondContact O-CB 3.47Å; K297-N301 PolarHBondContact O-N 2.82Å
298K95.9Very high80.6Confident79 Ų7970.4 Ų70.434%0.34340%0.396SS..Hα-helixtrans-61.4-40.9176.7-171.8-173.4179.5-1740112D225 D294 F295 E296 Q302D225-K298 VanDerWaalsContact CG-NZ 3.34Å; D225-K298 IonicContact OD1-NZ 2.83Å; D225-K298 PolarHBondContact OD1-NZ 3.45Å; D225-K298 IonicContact OD2-NZ 3.29Å; D225-K298 PolarHBondContact OD2-NZ 3.35Å; D294-K298 WeakPolarHBondContact O-CB 3.47Å; D294-K298 PolarHBondContact O-N 2.96Å; F295-K298 HydrophobicContact CD2-CD 4.31Å; F295-K298 WeakPolarHBondContact O-CB 3.43Å; F295-K298 PolarHBondContact O-N 3.46Å; F295-K298 VanDerWaalsContact O-N 3.17Å; E296-K298 VanDerWaalsContact C-N 3.29Å; E296-K298 PolarHBondContact O-N 3.38Å; K298-Q302 VanDerWaalsContact O-CG 3.26Å; K298-Q302 WeakPolarHBondContact O-CG 3.34Å; K298-Q302 PolarHBondContact O-N 2.91Å
299I94Very high78Confident15 Ų1577.7 Ų77.78%0.07743%0.433CS..Hα-helixtrans-65-51.2176.2-65.4166.3000110.6M261 K262 F295 E296 K297 N301 Q302 S303M261-I299 HydrophobicContact CB-CD1 4.02Å; K262-I299 HydrophobicContact CB-CD1 4.1Å; K262-I299 HydrophobicContact CD-CD1 4.02Å; K262-I299 HydrophobicContact CD-CG1 3.75Å; K262-I299 HydrophobicContact CD-CG2 4.46Å; F295-I299 HydrophobicContact CD1-CD1 3.75Å; F295-I299 HydrophobicContact CD1-CG1 4.42Å; F295-I299 HydrophobicContact CE1-CD1 3.64Å; F295-I299 HydrophobicContact CE1-CG1 4.28Å; F295-I299 HydrophobicContact CG-CD1 4.46Å; F295-I299 HydrophobicContact CZ-CD1 4.27Å; F295-I299 HydrophobicContact CZ-CG1 4.46Å; F295-I299 WeakPolarHBondContact O-CG1 3.37Å; F295-I299 PolarHBondContact O-N 2.64Å; E296-I299 PolarHBondContact O-N 3.08Å; K297-I299 PolarHBondContact O-N 3.33Å; I299-N301 VanDerWaalsContact C-N 3.25Å; I299-N301 PolarHBondContact O-N 3.13Å; I299-Q302 WeakPolarHBondContact O-CA 3.21Å; I299-Q302 WeakPolarHBondContact O-CB 3.45Å; I299-Q302 PolarHBondContact O-N 3.45Å; I299-S303 PolarHBondContact O-N 2.83Å
300K89.7Confident75.5Confident115 Ų11579.7 Ų79.750%0.545%0.45SS..Hα-helixtrans-61.1-32.9-178.3-71.1172.9175.7175.80112.7E296 K297 Q302 S303E296-K300 VanDerWaalsContact CD-NZ 3.25Å; E296-K300 HydrophobicContact CG-CD 4.3Å; E296-K300 WeakPolarHBondContact O-CG 3.43Å; E296-K300 PolarHBondContact O-N 2.88Å; E296-K300 IonicContact OE1-NZ 3.43Å; E296-K300 WeakPolarHBondContact OE2-CE 3.19Å; E296-K300 IonicContact OE2-NZ 3.99Å; E296-K300 PolarHBondContact OE2-NZ 3.07Å; K297-K300 PolarHBondContact O-N 3.28Å; K300-Q302 VanDerWaalsContact C-N 3.33Å; K300-S303 PolarHBondContact O-OG 3Å
301N83.1Confident72.5Confident137 Ų13787.2 Ų87.273%0.73348%0.475SS*.Hα-helixtrans-76.6-16.6174-67.7-7.3000113.6K297 I299K297-N301 WeakPolarHBondContact O-CB 3.47Å; K297-N301 PolarHBondContact O-N 2.82Å; I299-N301 VanDerWaalsContact C-N 3.25Å; I299-N301 PolarHBondContact O-N 3.13Å
302Q72.6Confident69.8Low85 Ų8594.8 Ų94.840%0.39751%0.514SS..Hα-helixtrans-91.6-31.8176.7-75.2174.3-9.100113K298 I299 K300 G304 Q305K298-Q302 VanDerWaalsContact O-CG 3.26Å; K298-Q302 WeakPolarHBondContact O-CG 3.34Å; K298-Q302 PolarHBondContact O-N 2.91Å; I299-Q302 WeakPolarHBondContact O-CA 3.21Å; I299-Q302 WeakPolarHBondContact O-CB 3.45Å; I299-Q302 PolarHBondContact O-N 3.45Å; K300-Q302 VanDerWaalsContact C-N 3.33Å; Q302-G304 PolarHBondContact O-N 2.85Å; Q302-Q305 PolarHBondContact O-N 3.35Å
303S58.9Low66.8Low77 Ų77104 Ų10454%0.53855%0.554SS.*THydrogen-bonded Turntrans-69.8-9.8178.1520000114I299 K300 Q305I299-S303 PolarHBondContact O-N 2.83Å; K300-S303 PolarHBondContact O-OG 3Å; S303-Q305 PolarHBondContact O-N 2.95Å
304G52.4Low63.7Low63 Ų63107.9 Ų107.965%0.64958%0.575SS**THydrogen-bonded Turntrans-70.31.5168.300000115.4Q302Q302-G304 PolarHBondContact O-N 2.85Å
305Q39.8Very low60.7Low149 Ų149112.1 Ų112.170%0.69660%0.597SS**SBendtrans-109.8127.3171.3-69.8-66-23.600110.2Q302 S303 G307Q302-Q305 PolarHBondContact O-N 3.35Å; S303-Q305 PolarHBondContact O-N 2.95Å; Q305-G307 PolarHBondContact O-N 3.3Å
306P42.1Very low57.4Low133 Ų133119.2 Ų119.286%0.86463%0.63SS**  trans-75.784.2-171.930.3-35.3000112.1
307G39.5Very low54.1Low61 Ų61125.7 Ų125.763%0.62967%0.665SS**  trans-138.793.3-176.600000114.4Q305Q305-G307 PolarHBondContact O-N 3.3Å
308H43.8Very low50.9Low174 Ų174127.8 Ų127.881%0.80668%0.676SS**  trans65.452.4153.6-140.5-72000119.1S310H308-S310 PolarHBondContact O-N 3.04Å
309I44.2Very low47.7Very low153 Ų153133.6 Ų133.679%0.78570%0.701SS**  trans-70.2107.4165.9-60177.1000110.4K311I309-K311 PolarHBondContact O-N 2.86Å; I309-K311 VanDerWaalsContact O-N 3.09Å
310S44.4Very low44.5Very low81 Ų81138.4 Ų138.457%0.56674%0.736SS**  trans-72.698.4175.7-60.60000111.7H308 L312H308-S310 PolarHBondContact O-N 3.04Å; S310-L312 PolarHBondContact O-N 3.43Å
311K36.6Very low41.5Very low190 Ų190138 Ų13883%0.82675%0.748SS**  trans-71.879.5-171.2-168.1175.4-172.5170.40113.9I309 K313I309-K311 PolarHBondContact O-N 2.86Å; I309-K311 VanDerWaalsContact O-N 3.09Å; K311-K313 PolarHBondContact O-N 3.49Å
312L40.7Very low38.8Very low176 Ų176140.5 Ų140.592%0.92176%0.755SS**  trans-72.2112.6165.1-75.4175.9000109.9S310S310-L312 PolarHBondContact O-N 3.43Å
313K35.5Very low36.7Very low193 Ų193145 Ų14584%0.83978%0.776SS**PPolyproline II helixtrans-81.4130.2-178.5-151.7179.2-176.6-171.60109.4K311K311-K313 PolarHBondContact O-N 3.49Å
314L33.3Very low35.3Very low167 Ų167147.3 Ų147.387%0.87479%0.787SS**PPolyproline II helixtrans-66138.6-177.2-169.7140.9000111
315L34.9Very low34.2Very low164 Ų164151.9 Ų151.986%0.85980%0.795SS**PPolyproline II helixtrans-74.8139-177.9-83.6173.7000112
316H29.2Very low33.7Very low150 Ų150151.5 Ų151.569%0.69480%0.803SS**PPolyproline II helixtrans-74.4123.9-174.9-168.985.4000110.8E318H316-E318 WeakPolarHBondContact NE2-CB 3.47Å; H316-E318 IonicContact NE2-OE1 3.36Å; H316-E318 IonicContact NE2-OE2 2.68Å
317L29.2Very low33.6Very low167 Ų167150.7 Ų150.787%0.87480%0.798SS**  trans-118.692.7164.3179.762000107.5
318E29.9Very low33.2Very low155 Ų155157.2 Ų157.272%0.72481%0.812SS**  trans-72.8129.2177.4-146.4170.2-147.700109.5H316H316-E318 WeakPolarHBondContact NE2-CB 3.47Å; H316-E318 IonicContact NE2-OE1 3.36Å; H316-E318 IonicContact NE2-OE2 2.68Å
319K28.1Very low32.3Very low200 Ų200152.9 Ų152.987%0.8781%0.814SS**  trans-134.6109.2163.9-163.2175.3-174.6-177.50108.6
320S26.3Very low31.5Very low117 Ų117149.5 Ų149.582%0.81882%0.817SS**  trans-69.9126.9-176.942.90000112
321S26.6Very low30.8Very low107 Ų107154.3 Ų154.375%0.74883%0.831SS**  trans-178112.7138.3173.30000109.8
322E25.8Very low30.3Very low189 Ų189150.1 Ų150.188%0.88383%0.825SS**  -160.6125.8129.8-115.8166.8-157.400110.7
323H29.7Very low29.6Very low179 Ų179146.5 Ų146.583%0.82981%0.814SS**  trans-83145.7157.2-74.9-122000107.6
324V28.4Very low29.2Very low126 Ų126144.8 Ų144.876%0.76481%0.814SS**  179.7120.8121.9147.50000111.9
325L30.4Very low28.8Very low158 Ų158141.1 Ų141.183%0.82780%0.802SS**  trans21.4130.3144.2-47.1172.7000121.3
326V28.5Very low28.4Very low142 Ų142139 Ų13986%0.86180%0.796SS**  trans-131.4141.8149176.80000107
327P41.3Very low28.3Very low116 Ų116137 Ų13775%0.75380%0.799SS**  trans-99.1162.5-157.537.7-37.2000117.5
328E30Very low28.3Very low198 Ų198136.8 Ų136.893%0.92579%0.793SS**  trans24.4135.3156.2-58.7-156.2124.900123.5
329G26.2Very low28.1Very low82 Ų82136 Ų13685%0.84579%0.794SS**  trans161127.2147.600000116.4
330G26.8Very low27.9Very low83 Ų83131.8 Ų131.886%0.85679%0.788SS**  trans103.377.5149.200000120
331Q29Very low27.8Very low182 Ų182134.5 Ų134.585%0.8579%0.791SS**  trans-16.3136.2158.2-57.6173.2100121.2
332S26.1Very low27.8Very low101 Ų101135.4 Ų135.471%0.70679%0.793SS**  trans63.5125.7133.570.30000123.3
333S26.7Very low27.8Very low100 Ų100131.6 Ų131.670%0.69979%0.786SS**  146147.5100.663.10000116.1
334L26.2Very low27.6Very low158 Ų158128.8 Ų128.883%0.82778%0.782SS**  trans61.5159.5169.2-61.2123.4000119.1
335S26Very low27.7Very low89 Ų89126.9 Ų126.962%0.62278%0.775SS**  -172.8151.1-65.450.80000111.8
336T26Very low27.6Very low121 Ų121127.3 Ų127.374%0.74277%0.772SS**  trans68.4102.6157.9-42.40000116.2
337S28.2Very low27.5Very low107 Ų107128.4 Ų128.475%0.74877%0.772SS**  175.717098.2-690000109.6
338Q27.8Very low27Very low162 Ų162128.2 Ų128.276%0.75777%0.768SS**  cis-172.3162.5-29.9-95.4-165200104.8
339L25.6Very low26.9Very low140 Ų140126.3 Ų126.373%0.73376%0.759SS**  cis-150.1-166.1-2.5-131175.6000107.8
340C25.5Very low26.8Very low110 Ų110130.1 Ų130.174%0.74376%0.755SS**  trans-138.8143.4176.3-52.10000112.8
341I24Very low26.8Very low175 Ų175133.7 Ų133.790%0.89775%0.747SS**  trans-143146.8153.3-60.9-173.1000108.3
342T26.3Very low27.3Very low126 Ų126130.3 Ų130.377%0.77374%0.741SS**  trans-130156.4-172.4510000112.5
343S25.2Very low27.3Very low108 Ų108131.3 Ų131.376%0.75574%0.736SS**  trans-166.9128.2156.3-122.20000115.7
344T26.5Very low27.2Very low120 Ų120132.7 Ų132.774%0.73674%0.735SS**  20.3152.313055.80000121.7
345S28.8Very low27.2Very low87 Ų87131.2 Ų131.261%0.60874%0.738SS**  cis174.5172.8-5.7-83.20000107.6
346E29.1Very low27Very low167 Ų167130 Ų13078%0.7874%0.74SS**  cis-168.9-145.5-21.1-95.9168.6-10300107.4
347I27.3Very low27Very low165 Ų165130.2 Ų130.285%0.84675%0.746SS**  trans80.9143.9168.7-52.7173.9000116.9
348V29.7Very low27.1Very low112 Ų112131.7 Ų131.768%0.67975%0.751SS**  cis-174139.4-46.5124.30000111.2
349E27Very low28.2Very low157 Ų157130.1 Ų130.173%0.73475%0.754SS**  trans60.4163.9160.3-73.8-174115.600121.1
350Q26.1Very low28.1Very low163 Ų163126.8 Ų126.876%0.76275%0.753SS**  cis-152.3174.42.9-133.6166.842.600113.7
351K25.5Very low27.9Very low157 Ų157127.7 Ų127.768%0.68376%0.756SS**  trans-95.8-170.3168.3-131.5-161.2172.1-174.60110.1M353K351-M353 HydrophobicContact CD-CG 4Å; K351-M353 HydrophobicContact CD-SD 4.41Å; K351-M353 VanDerWaalsContact NZ-CG 3.29Å; K351-M353 PolarHBondContact NZ-SD 3.34Å
352P40.2Very low27.8Very low112 Ų112129.9 Ų129.973%0.72775%0.753SS**  cis-135.8158.92243.9-23.4000116.3
353M25.5Very low27.6Very low121 Ų121131.3 Ų131.360%0.59676%0.755SS**  72.3132.491.4-59.7-175.653.700122.5K351K351-M353 HydrophobicContact CD-CG 4Å; K351-M353 HydrophobicContact CD-SD 4.41Å; K351-M353 VanDerWaalsContact NZ-CG 3.29Å; K351-M353 PolarHBondContact NZ-SD 3.34Å
354D25.6Very low28.1Very low129 Ų129131.9 Ų131.969%0.6976%0.756SS**  trans80.6133.7137.2-7315.3000126.9
355S24.8Very low27.9Very low128 Ų128131.2 Ų131.290%0.89576%0.756SS**  trans68.1154.8156740000119.2
356G23.2Very low27.8Very low63 Ų63133.9 Ų133.965%0.64976%0.763SS**  cis166.1164.9-900000113.6
357S24.3Very low27.7Very low126 Ų126133.9 Ų133.988%0.88176%0.763SS**  trans70.8144.2168.477.70000121
358V30.8Very low27.8Very low138 Ų138133.7 Ų133.784%0.83676%0.764SS**  trans-163178.7174.8-65.90000107.9
359P51.4Low27.8Very low129 Ų129133.8 Ų133.884%0.83877%0.769SS**  cis-130.9-176.5-10.142.8-27.1000114.7
360G23.1Very low28.2Very low69 Ų69132.1 Ų132.171%0.71177%0.772SS**  trans162.2165158.900000114.2
361T21.8Very low28.3Very low129 Ų129132 Ų13279%0.79178%0.776SS**  cis-164.7118.6-18.3-81.10000110
362R21.4Very low28.4Very low222 Ų222130.5 Ų130.584%0.83878%0.779SS**  trans46.6128.9153-67.4-177.8175.7-176.7-1.4123.8
363L21.6Very low27.9Very low155 Ų155134 Ų13481%0.81279%0.786SS**  trans69.1155.8143.8-64.1164.2000117.3
364P37Very low27.9Very low121 Ų121131.2 Ų131.279%0.78679%0.788SS**  cis-91.2-1463.441-38.8000113.2
365S22.6Very low28.7Very low106 Ų106133.4 Ų133.474%0.74180%0.798SS**  cis-157.7168.24.952.50000116.2
366L26.5Very low28.9Very low143 Ų143135.4 Ų135.475%0.74980%0.799SS**  trans-42.4159.9154.8-9071.1000116.6
367E26.7Very low29.3Very low166 Ų166135.9 Ų135.978%0.77680%0.804SS**  cis-138.4141.2-9.2-60.9-155.2108.200111.2
368D29.4Very low29.8Very low162 Ų162138.5 Ų138.587%0.86681%0.807SS**  -171.4157.8113.8-115.7-29.4000109.7
369S29.7Very low29.8Very low114 Ų114139.4 Ų139.480%0.79780%0.802SS**  trans-154.1167-167.6-780000113.1
370P35.3Very low28.8Very low122 Ų122138.9 Ų138.979%0.79280%0.796SS**  cis-124.6175.61.838.4-22.4000115.4
371L27.1Very low28.9Very low160 Ų160140.4 Ų140.484%0.83880%0.796SS**  trans-119.2173.2170.8-76.1170.2000111.3
372V28.9Very low30Very low125 Ų125141.2 Ų141.276%0.75879%0.794SS**  trans76.9144.6166.6-165.10000113.2
373Q29.2Very low30.7Very low187 Ų187137.8 Ų137.887%0.87479%0.793SS**  cis-111.41757.9-111.3105.4-13.900112
374G26.2Very low31.4Very low62 Ų62139.7 Ų139.764%0.63979%0.794SS**  cis141.3151.3300000111.6N376G374-N376 PolarHBondContact O-N 2.94Å
375I41.7Very low31.6Very low174 Ų174139.6 Ų139.689%0.89279%0.791SS**SBendtrans-65.988.9-176.641.7165.5000113.7
376N29.7Very low32.6Very low171 Ų171142.9 Ų142.991%0.91480%0.795SS**  trans-163.1102.8157.3-98.1-31.7000108.7G374G374-N376 PolarHBondContact O-N 2.94Å
377G30.6Very low33.3Very low73 Ų73141.9 Ų141.975%0.75379%0.79SS**  trans-165.37.3-167.600000118.1H379G377-H379 PolarHBondContact O-N 3.1Å
378L35Very low33.6Very low180 Ų180138.8 Ų138.894%0.94279%0.787SS**  trans-7955.5166.2-81.7174.8000110.8V380L378-V380 PolarHBondContact O-N 3.45Å
379H30.3Very low34.1Very low157 Ų157138.2 Ų138.273%0.72778%0.784SS**  trans-90.695.1167.1-168.6-80.8000108.9G377 S381G377-H379 PolarHBondContact O-N 3.1Å; H379-S381 PolarHBondContact O-N 3.16Å
380V30.7Very low35Very low118 Ų118142.6 Ų142.672%0.71578%0.783SS**  trans-55.7124.1168.2174.90000108.2L378 L382L378-V380 PolarHBondContact O-N 3.45Å; V380-L382 PolarHBondContact O-N 2.89Å
381S25.6Very low35.2Very low101 Ų101144.2 Ų144.271%0.70678%0.784SS**  trans-63.1102.7171.9-60.20000109.3H379 D383H379-S381 PolarHBondContact O-N 3.16Å; S381-D383 PolarHBondContact O-N 3.19Å
382L45Very low35.9Very low147 Ų147146.1 Ų146.177%0.7779%0.786SS**SBendtrans-7356.1173.8-172.964000110.4V380V380-L382 PolarHBondContact O-N 2.89Å
383D36.5Very low36.8Very low149 Ų149151.7 Ų151.780%0.79779%0.793SS**SBendtrans-159.963.8167.8-128.4-13.2000111.9S381S381-D383 PolarHBondContact O-N 3.19Å
384K35.8Very low37.4Very low196 Ų196147 Ų14785%0.85278%0.781SS**  trans-164.132.5154.8-112.6164-170.3178.40113.8E386K384-E386 PolarHBondContact O-N 2.92Å
385V42.3Very low37.8Very low118 Ų118153.5 Ų153.572%0.71579%0.792SS**THydrogen-bonded Turntrans-84.960.2177.1-170.30000109.9
386E43.1Very low37.5Very low175 Ų175150.6 Ų150.682%0.81879%0.787SS**THydrogen-bonded Turntrans-148.7-18.3175.7-132167.2-150.200116.5K384K384-E386 PolarHBondContact O-N 2.92Å
387D40.5Very low37.9Very low123 Ų123149.6 Ų149.666%0.65878%0.781SS**G310 helixtrans-93.5-7.2-179.3-115.6-36.3000115N389 R390D387-N389 PolarHBondContact O-N 2.95Å; D387-N389 VanDerWaalsContact O-N 3.1Å; D387-R390 PolarHBondContact O-N 3.45Å; D387-R390 VanDerWaalsContact O-N 3.16Å
388S33.5Very low38Very low101 Ų101153.2 Ų153.271%0.70678%0.783SS**G310 helixtrans-67.4-9.9179.455.30000114.3
389N40.4Very low37.9Very low150 Ų150151.8 Ų151.880%0.80278%0.775SS**G310 helixtrans-91-3.8175.7-76.2-41.5000114.3D387D387-N389 PolarHBondContact O-N 2.95Å; D387-N389 VanDerWaalsContact O-N 3.1Å
390R46.8Very low37.9Very low205 Ų205153.1 Ų153.177%0.77478%0.779SS**SBendtrans-98-4.1-173.7-114.6174.1163.2-102-6.2116.3D387D387-R390 PolarHBondContact O-N 3.45Å; D387-R390 VanDerWaalsContact O-N 3.16Å
391L39.8Very low37.9Very low156 Ų156152.4 Ų152.482%0.81778%0.779SS**SBendtrans-108.731.5-177.8-129.572.9000115.3
392K42.5Very low38Very low201 Ų201153.2 Ų153.287%0.87478%0.78SS**SBendtrans-127.625.6170.1-81.5-169.3174.8-179.60114.5
393R47.6Very low37.2Very low241 Ų241151 Ų15191%0.90978%0.776SS**  trans-142.275.4173.1-75.9-170.5174.7168.9-0.7112.5
394S41.8Very low36.8Very low89 Ų89154.7 Ų154.762%0.62278%0.781SS**  trans-159.639.4175.946.90000114.6
395F34.2Very low36.4Very low199 Ų199150.7 Ų150.787%0.87378%0.777SS**  trans-139.158.4165.3-81-67.9000111.9L397F395-L397 PolarHBondContact O-N 3.27Å
396S35.8Very low35.8Very low113 Ų113149.8 Ų149.879%0.7978%0.782SS**  trans-78.2111.1157-61.30000108D398S396-D398 PolarHBondContact O-N 2.76Å
397L37.6Very low35.1Very low149 Ų149147.1 Ų147.178%0.7878%0.783SS**  trans-86.4100.6167.9-74.4175.7000108.7F395 I399F395-L397 PolarHBondContact O-N 3.27Å; L397-I399 VanDerWaalsContact C-N 3.32Å; L397-I399 PolarHBondContact O-N 3.37Å
398D33Very low34.7Very low149 Ų149146.8 Ų146.880%0.79779%0.79SS**  trans-66.290.9168.7-76.4-25.7000109.7S396 K400S396-D398 PolarHBondContact O-N 2.76Å; D398-K400 VanDerWaalsContact C-N 3.25Å; D398-K400 PolarHBondContact O-N 3.4Å
399I32.4Very low34.4Very low151 Ų151149.9 Ų149.977%0.77480%0.799SS**  trans-73.284.8171.6-54-179.7000108.2L397 S401L397-I399 VanDerWaalsContact C-N 3.32Å; L397-I399 PolarHBondContact O-N 3.37Å; I399-S401 PolarHBondContact O-N 3.49Å
400K31Very low33.7Very low184 Ų184148.1 Ų148.180%0.880%0.797SS**  trans-62.1105.1164-82.9-175.1174.6177.70108.9D398 V402D398-K400 VanDerWaalsContact C-N 3.25Å; D398-K400 PolarHBondContact O-N 3.4Å; K400-V402 VanDerWaalsContact C-N 3.31Å; K400-V402 PolarHBondContact O-N 2.91Å
401S29.9Very low32.8Very low103 Ų103145.1 Ų145.172%0.7280%0.795SS**  trans-6785.6169.6400000110.5I399 S403I399-S401 PolarHBondContact O-N 3.49Å; S401-S403 VanDerWaalsContact C-N 3.29Å; S401-S403 PolarHBondContact O-N 3.02Å
402V28.7Very low32.2Very low119 Ų119143.8 Ų143.872%0.72179%0.794SS**  trans-75.586.5170.1-177.80000108.7K400 Y404K400-V402 VanDerWaalsContact C-N 3.31Å; K400-V402 PolarHBondContact O-N 2.91Å; V402-Y404 PolarHBondContact O-N 3.27Å
403S28.6Very low31.6Very low101 Ų101139.4 Ų139.471%0.70680%0.796SS**  trans-65.5114171.4-59.70000110.2S401 S405S401-S403 VanDerWaalsContact C-N 3.29Å; S401-S403 PolarHBondContact O-N 3.02Å; S403-S405 PolarHBondContact O-N 3.44Å; S403-S405 VanDerWaalsContact O-N 3.11Å
404Y27.9Very low30.7Very low226 Ų226133 Ų13389%0.88679%0.788SS**  trans-71.6100.7165.6-97.2-90.4000109.3V402 A406V402-Y404 PolarHBondContact O-N 3.27Å; Y404-A406 PolarHBondContact O-N 2.92Å
405S26.9Very low30.1Very low112 Ų112134.3 Ų134.378%0.78379%0.792SS**  trans-76114.8170.538.60000110.3S403S403-S405 PolarHBondContact O-N 3.44Å; S403-S405 VanDerWaalsContact O-N 3.11Å
406A30.7Very low29.8Very low99 Ų99133.4 Ų133.482%0.81879%0.79SS**  trans-70.6129.8168.800000109.9Y404Y404-A406 PolarHBondContact O-N 2.92Å
407S28.2Very low29.3Very low119 Ų119130.9 Ų130.983%0.83278%0.782SS**  trans-82.2115.6-178.755.40000112.1
408S30.5Very low28.8Very low116 Ų116133 Ų13381%0.81179%0.785SS**  trans-137.2118.5166-72.90000110.2
409N27.1Very low28.6Very low165 Ų165130.3 Ų130.388%0.88278%0.783SS**  trans-74.6142.3169.3-64.4-28.9000109.6
410C26.2Very low28.5Very low113 Ų113128.7 Ų128.776%0.76479%0.786SS**  169.8169.192.8-145.50000113.1
411L28.5Very low28.4Very low142 Ų142124.5 Ų124.574%0.74378%0.78SS**  trans62.587159.8-56.6-176.3000120.7
412T26.4Very low28.4Very low129 Ų129127.6 Ų127.679%0.79178%0.783SS**  33.2112.2117.658.90000120.6
413A29.9Very low28.5Very low109 Ų109129.2 Ų129.290%0.90179%0.787SS**  trans-157.1133.7139.200000112.1
414S29Very low28.7Very low107 Ų107129.2 Ų129.275%0.74878%0.783SS**  trans-86.5151.1-16749.20000116.9
415V28.9Very low28.9Very low116 Ų116125.2 Ų125.270%0.70378%0.776SS**  94.3131.3129.8156.40000122.5
416Q27.8Very low29.3Very low180 Ų180125.7 Ų125.784%0.84177%0.766SS**  trans64141159.1-79.1156.9-10.300120.8
417G27.1Very low29.3Very low60 Ų60131.1 Ų131.162%0.61977%0.767SS**  cis169.9162-9.800000115.5
418F27.2Very low29.5Very low193 Ų193131 Ų13185%0.84675%0.749SS**  trans67.3131.3172-57-84.8000116.8
419A28.2Very low29.6Very low92 Ų92131.1 Ų131.176%0.7674%0.735SS**  cis84152.739.500000113.5
420S28.9Very low29.8Very low117 Ų117131.3 Ų131.382%0.81873%0.731SS**  cis174.6134.7-19.4171.90000108
421S29.6Very low30.2Very low97 Ų97129.1 Ų129.168%0.67872%0.72SS**  trans-178.3112.9166.8-164.20000108.1
422E29.5Very low30.3Very low167 Ų167129 Ų12978%0.7873%0.726SS**  87.2120.179.2-71.7162.2114.100115.7
423D30.6Very low30.7Very low154 Ų154126.8 Ų126.882%0.82472%0.721SS**  170.9149.5123.7-104.9-10.2000111.1
424T33.9Very low31Very low101 Ų101129.3 Ų129.362%0.6272%0.718SS**  cis-169.2147.3-28.4-112.80000110.5
425L32.7Very low31Very low141 Ų141132 Ų13274%0.73872%0.724SS**  trans54.4126.2170.5-94.140.1000118.6
426E34.5Very low31Very low123 Ų123129.8 Ų129.858%0.57572%0.724SS**  cis79.5124.344.3-73.7-145.6120.700116.9Y428E426-Y428 HydrophobicContact CB-CE2 3.89Å; E426-Y428 VanDerWaalsContact CD-CE2 3.42Å; E426-Y428 HydrophobicContact CG-CE2 4.25Å; E426-Y428 WeakPolarHBondContact OE2-CE2 3.45Å; E426-Y428 VanDerWaalsContact OE2-CZ 3.26Å; E426-Y428 PolarHBondContact OE2-OH 3.25Å
427Y30.8Very low31.1Very low212 Ų212124.9 Ų124.983%0.83172%0.722SS**  trans-172.7162.1142.6-123-123.1000110
428Y32.4Very low31.3Very low116 Ų116127 Ų12746%0.45573%0.727SS.*  -169.8150.4-58-98.1-173.8000111.3E426E426-Y428 HydrophobicContact CB-CE2 3.89Å; E426-Y428 VanDerWaalsContact CD-CE2 3.42Å; E426-Y428 HydrophobicContact CG-CE2 4.25Å; E426-Y428 WeakPolarHBondContact OE2-CE2 3.45Å; E426-Y428 VanDerWaalsContact OE2-CZ 3.26Å; E426-Y428 PolarHBondContact OE2-OH 3.25Å
429K33Very low31.6Very low119 Ų119127 Ų12752%0.51773%0.727SS.*  cis-164.3165.1-16.7-143.6168.2-168.3164.20109.6
430H31.7Very low31.6Very low170 Ų170129.5 Ų129.579%0.78773%0.727SS**  trans70.1158.8161.3-65.3-55.3000120.3
431A33Very low31.5Very low66 Ų66129 Ų12955%0.54572%0.722SS.*  cis-176.2155.4-30.100000112.2
432T31.9Very low31.5Very low141 Ų141132.2 Ų132.287%0.86573%0.727SS**  trans57.9153.5148.549.40000121
433A34Very low31.3Very low82 Ų82133.3 Ų133.368%0.67873%0.729SS**  cis-172.5171.4-25.200000110.4
434L36.8Very low31.5Very low162 Ų162130.6 Ų130.685%0.84872%0.722SS**  trans72103.4158.6-64.4168.9000121.4
435D29.3Very low32Very low164 Ų164131.3 Ų131.388%0.87773%0.728SS**  72.1156.5112.3-153.618.1000122.8
436G27.8Very low32.4Very low68 Ų68130.8 Ų130.870%0.70173%0.731SS**  trans103.772.8159.900000119
437G29.8Very low32Very low77 Ų77133.4 Ų133.479%0.79474%0.743SS**  trans-90.1-169.5177.700000116.2
438S31.9Very low31.9Very low105 Ų105131.4 Ų131.473%0.73474%0.741SS**  trans-169.8145.515661.30000115.9
439K33.2Very low31.6Very low193 Ų193132.2 Ų132.284%0.83976%0.758SS**  trans66.3149.2147-73.8170.3-175.9176.60119.6
440L29.1Very low31.5Very low144 Ų144131.3 Ų131.375%0.75477%0.767SS**  cis-165.4149.6-14.8-175.964.1000109.8
441C26.7Very low31.3Very low107 Ų107130.8 Ų130.872%0.72376%0.764SS**  trans21.6140.8161.2-58.70000121.5
442Q28.9Very low31.1Very low165 Ų165135.5 Ų135.577%0.77178%0.775SS**  -164.4147.864.9-93.2-169.1-11.200116.1
443F26.3Very low31Very low190 Ų190135 Ų13583%0.83377%0.772SS**  trans52.7133.2151.3-68.8-68.6000124.7
444S34Very low31.7Very low96 Ų96136.1 Ų136.167%0.67177%0.772SS**  trans-104.5169.7155.7-166.20000108.1
445P44.8Very low31.4Very low117 Ų117136.3 Ų136.376%0.7677%0.769SS**  -147.4164.787.839.1-22.6000116.2
446V40Very low31.3Very low130 Ų130134.4 Ų134.479%0.78876%0.763SS**  trans-103.1149.9151.8170.70000107.2
447Q25.9Very low31.4Very low177 Ų177136.1 Ų136.183%0.82777%0.765SS**  trans-140.4144.3168-167.9159.21.100112.1
448E29.3Very low32.6Very low170 Ų170137.4 Ų137.479%0.79476%0.759SS**  trans-102.8-177.1-174.7-53.116111200111.1
449V25.8Very low32.4Very low134 Ų134139 Ų13981%0.81276%0.759SS**  166.3147.5118.3156.40000110.2
450S30.7Very low32.4Very low100 Ų100136.5 Ų136.570%0.69975%0.749SS**  trans-101.3166.2171.367.30000111.6
451E27.8Very low32.5Very low158 Ų158137 Ų13774%0.73875%0.747SS**  trans-176.4138.1130.9-101.2-169.9141.500115.2
452Q28.2Very low32.7Very low166 Ų166141 Ų14178%0.77676%0.755SS**  trans59154.6140.4-56.8-169.445.600124.9
453T30.9Very low32.7Very low131 Ų131137.8 Ų137.880%0.80476%0.757SS**  trans-87.1-178.3-173.322.90000113.2
454P48.9Very low32.9Very low104 Ų104136.2 Ų136.268%0.67576%0.757SS**  cis-152.2-169.83146.6-24.9000119.5
455E29.1Very low34.1Very low167 Ų167137.1 Ų137.178%0.7876%0.761SS**  trans62.8138.2161.5-61.7-50.2121.300118.9
456T28.2Very low34.5Very low123 Ų123136.4 Ų136.476%0.75576%0.756SS**  cis-141152.210.5500000113.6
457S30.3Very low33.9Very low104 Ų104139.9 Ų139.973%0.72776%0.761SS**  trans-74.4-176.6162-75.30000111.6
458P54.6Low34.1Very low105 Ų105141.1 Ų141.168%0.68276%0.763SS**  cis-153.7169.224.249.6-29.1000121
459D28.4Very low34.8Very low137 Ų137138.4 Ų138.473%0.73376%0.76SS**  57.5149.9128.4-70.5-0.2000124.2
460K33.4Very low35.1Very low142 Ų142140.4 Ų140.462%0.61776%0.761SS**  cis-169.3162.5-22.7-128.9175.4153.5-135.40111.4
461E30.4Very low35Very low154 Ų154140.3 Ų140.372%0.7276%0.76SS**  trans59.3146.6146.1-83.7161.6167.100124.1
462E30Very low35.9Very low190 Ų190137.3 Ų137.389%0.88875%0.754SS**  trans-77.6155.5167.2-51.2164.19500111.2
463A28.9Very low36Very low98 Ų98139.8 Ų139.881%0.8176%0.757SS**  176.3141.4120.600000113.9
464N31Very low35.7Very low157 Ų157140.8 Ų140.884%0.8475%0.752SS**  trans-84.6175.7158.5-74.8-83.7000109.7
465P59.2Low34.8Very low115 Ų115143 Ų14375%0.74776%0.758SS**  cis-127-140.2-4.534.8-10.3000109
466P52.8Low35Very low102 Ų102141.2 Ų141.266%0.66275%0.754SS**  cis-139.1-179.2-14.942.4-23.9000117.8
467K28.3Very low35Very low204 Ų204140.7 Ų140.789%0.88776%0.755SS**  trans96.3139.9156.1-66.4172.5-177.7174.40119.9
468K29.7Very low35Very low203 Ų203144.9 Ų144.988%0.88376%0.763SS**  trans-84.2177.9173.6-68.1-178.2174.7179.80110.2
469P44.3Very low33.9Very low113 Ų113144.9 Ų144.973%0.73477%0.765SS**  cis-147.1-176.319.437-12.5000119.9
470Q31.1Very low34.1Very low176 Ų176148.3 Ų148.382%0.82277%0.774SS**  trans97.494.8157.3-58.3-165.9-14.100121.1
471S28.5Very low34Very low98 Ų98152.5 Ų152.569%0.68579%0.786SS**  28156.7109.3660000120.8
472P48.4Very low34Very low95 Ų95154.6 Ų154.662%0.61780%0.795SS**  cis-152.3179.734.531.3-4.1000120.2
473W28.9Very low33.9Very low218 Ų218153.5 Ų153.583%0.82679%0.79SS**  trans70.5142.1169.4-47.596.8000117.1
474Q26.3Very low34Very low152 Ų152156.8 Ų156.871%0.7179%0.793SS**  cis-154.7126.3-10.1-145.8163.3-3.200107.6
475L29.8Very low34Very low150 Ų150153.2 Ų153.279%0.78579%0.794SS**  38.7135.393.3-90.889.6000116.9
476D31.7Very low32.6Very low130 Ų130159.9 Ų159.970%0.69580%0.804SS**  cis-165.6166.2-14.8-148.3-22.1000111.3
477S28.1Very low31.4Very low112 Ų112160.2 Ų160.278%0.78382%0.815SS**  trans-168.191.7164-83.40000113.8
478Q32.1Very low31.5Very low192 Ų192156.2 Ų156.290%0.89781%0.813SS**  trans-158.3159.1156-127.5164.985.800114.3
479S31.5Very low31.5Very low104 Ų104150.2 Ų150.273%0.72781%0.809SS**  trans-109.2154.1-175.662.40000112.7
480K30.8Very low30.9Very low209 Ų209149.9 Ų149.991%0.90981%0.809SS**  trans-161.3155.9149.3-114.8157.2-172170.10113.5
481R31.3Very low31Very low231 Ų231148 Ų14887%0.87281%0.81SS**  trans-79155.5179.8-60170.3174.4162.3-4.5111.7
482Q30.7Very low31.3Very low198 Ų198147.8 Ų147.893%0.92581%0.813SS**  trans-135.1178.7146-74.8-156.7-6.300111
483H29Very low30.6Very low167 Ų167149.6 Ų149.677%0.77382%0.823SS**  trans-114162-155.3-99.3-106.2000114.9
484L31.2Very low30.9Very low166 Ų166146.4 Ų146.487%0.86982%0.818SS**  trans56.2121154.3-93.670.6000119.7
485G29.4Very low31.2Very low83 Ų83149.4 Ų149.486%0.85682%0.822SS**  trans-159.2138.1160.400000110
486R29.6Very low31.3Very low255 Ų255147.1 Ų147.196%0.96282%0.819SS**  trans-138.4109.5-169179-166.9-171.7-167.75110.6
487A28.5Very low31.3Very low108 Ų108148.3 Ų148.389%0.89383%0.825SS**  trans-160.6143.9163.600000113.2
488S31.2Very low31.4Very low121 Ų121150.1 Ų150.185%0.84683%0.825SS**  trans-80.3150.9-173.147.70000117.5
489G29Very low31.3Very low77 Ų77151.3 Ų151.379%0.79482%0.822SS**  trans97.5160.5140.500000118.1
490S31.3Very low32.5Very low105 Ų105151.2 Ų151.273%0.73482%0.819SS**  cis-168.1171.3-14.2580000111.7
491T32.8Very low32.3Very low137 Ų137148.7 Ų148.784%0.8482%0.815SS**  trans73149.2171.8730000117.5
492A36Very low32.3Very low93 Ų93144.5 Ų144.577%0.76981%0.805SS**  cis-96.1-119.6-0.900000112.6
493T33.5Very low32.2Very low134 Ų134145.6 Ų145.682%0.82280%0.8SS**  cis-153.1-163.82.2-33.70000109
494Q35.8Very low32.3Very low151 Ų151142.9 Ų142.971%0.70680%0.801SS**  trans-141.6165.2-178.6-62.9-167.9-3.400110.3
495R32.7Very low32.1Very low214 Ų214138.5 Ų138.581%0.80880%0.796SS**  cis-147.1-162.514.5-147.9158.9171126.3-13.8111.3
496S31.9Very low32.1Very low102 Ų102139.9 Ų139.971%0.71379%0.792SS**  trans-147.3-171.7-163.2-41.40000113.9
497L31.8Very low32Very low156 Ų156134.9 Ų134.982%0.81778%0.781SS**  trans90.4143.3170.3-48.1179.4000115.4
498L29.5Very low32.3Very low150 Ų150137.2 Ų137.279%0.78577%0.774SS**  cis-157.4176.2-5.8-114.7167.8000112.6
499Y29.6Very low32.2Very low216 Ų216138 Ų13885%0.84777%0.769SS**  trans-101.6-171.7-176.4-87.6-76.1000112.9
500P56.4Low32.2Very low102 Ų102140.3 Ų140.366%0.66276%0.763SS**  cis-136.2-158.1-35.335.5-13.9000114
501L28.1Very low32.1Very low156 Ų156146.2 Ų146.282%0.81777%0.77SS**  trans117.1149.1155.1-63.3170.7000116.7
502H30.4Very low32.1Very low144 Ų144150.8 Ų150.867%0.66777%0.772SS**  cis-172.3141.9-34.2-151.9-92.3000113.3
503R29Very low31.8Very low220 Ų220151.4 Ų151.483%0.8377%0.767SS**  trans66.9159.4160.1-101.2176.6-170.8160.41.3119.5
504S30.8Very low31.7Very low111 Ų111152.7 Ų152.778%0.77677%0.768SS**  cis-163.3150.5-4.2-156.30000114.9
505G27.5Very low31.4Very low74 Ų74154.7 Ų154.776%0.76378%0.775SS**  trans80.3161.1155.100000119.2
506S27.7Very low31.3Very low112 Ų112152.1 Ų152.178%0.78378%0.777SS**  cis-167.1149.5-15.1-166.60000112.7
507M29.4Very low31.4Very low150 Ų150157.5 Ų157.574%0.73979%0.788SS**  trans58.6142.8164.1-78.1-177.179.300123.5
508E33.5Very low31.2Very low157 Ų157153.7 Ų153.773%0.73479%0.786SS**  trans2.8149.2143.5-66.6140.7-132.500119.6
509D29.2Very low31.2Very low138 Ų138154.4 Ų154.474%0.73879%0.79SS**  cis-159.5-16547.9-154.6-21.8000113.5
510N29.2Very low31.1Very low125 Ų125150 Ų15067%0.66879%0.791SS**  trans-50.7156.3-179.2-81.6-92.8000116.8
511Y28.5Very low30Very low228 Ų228150.9 Ų150.989%0.89479%0.794SS**  179.1159.4108.1-101.1-68.7000115.5
512R34.3Very low30Very low233 Ų233148.5 Ų148.588%0.87979%0.791SS**  trans-82.2138.1167.4-73.1176.2168.4-175.9-3.3111.8
513T29.9Very low30.2Very low107 Ų107149.6 Ų149.666%0.65680%0.796SS**  trans-142127.515347.20000106.5
514N30.1Very low30.6Very low160 Ų160146.2 Ų146.286%0.85679%0.789SS**  cis56.886.829.6-101.436.9000112.7
515F30.3Very low30.6Very low193 Ų193147.6 Ų147.685%0.84678%0.783SS**  trans-105.2131.1168.1-88.5-87000110.8
516L30.9Very low30.7Very low160 Ų160151.5 Ų151.584%0.83879%0.786SS**  trans-83.8165.6174.4-69.2129.7000110.8
517F33.3Very low30.8Very low216 Ų216150.4 Ų150.495%0.94778%0.784SS**  trans-126.4126.2150.8-105.7-78.2000112.2
518G27.4Very low30.9Very low75 Ų75153.2 Ų153.277%0.77379%0.792SS**  trans30.8110151.300000120.4
519L29.4Very low30.7Very low166 Ų166151.9 Ų151.987%0.86980%0.8SS**  trans-74.5157.1150.5-68.4169.9000110.8
520S27Very low30.7Very low124 Ų124149.6 Ų149.687%0.86780%0.8SS**  trans-133.2144.4147.2-172.90000108.4
521T33.3Very low30.9Very low120 Ų120148.8 Ų148.874%0.73681%0.811SS**  trans-140.7140.6-166.847.50000113.4
522S28.3Very low30.8Very low106 Ų106141.2 Ų141.274%0.74180%0.802SS**  trans-146.5107.9159.2-163.80000105.6
523Q35.7Very low30.6Very low166 Ų166139 Ų13978%0.77681%0.807SS**  58.6137.493.9-64.3-168.9-1.800113.6
524Q37.9Very low30.6Very low149 Ų149136.7 Ų136.770%0.69680%0.804SS**  cis-166.7166.2-8-119.6-161.437.200107.8
525H30.2Very low30.8Very low140 Ų140137.1 Ų137.165%0.64881%0.805SS**  cis-161.5178.2-7.7-151.311.3000110.1
526L30Very low31Very low156 Ų156136.8 Ų136.882%0.81780%0.803SS**  trans63.7149162.3-72.6159.3000118.2
527A29.2Very low31Very low89 Ų89132.2 Ų132.274%0.73680%0.795SS**  cis-142.8167.1-4.300000111.8
528K32.4Very low30.9Very low209 Ų209134 Ų13491%0.90980%0.796SS**  trans-103.5144.4169.9-68178.5177.7177.80111
529S28.6Very low30.9Very low129 Ų129138.6 Ų138.690%0.90280%0.796SS**  trans-156.7174.9135.8-159.10000109.9
530A29.4Very low31Very low90 Ų90135.7 Ų135.774%0.74479%0.79SS**  trans-142.3169.1-166.900000114.4
531A32.2Very low31Very low109 Ų109136.7 Ų136.790%0.90179%0.786SS**  trans74.4139.7163.500000119.3
532G28.1Very low31Very low68 Ų68138.5 Ų138.570%0.70179%0.789SS**  trans12189.5143.900000118.3
533L29.9Very low31.1Very low188 Ų188141.7 Ų141.798%0.98480%0.797SS**  trans51.6143.7139.3-59.6168.1000121.4
534G29.5Very low31.2Very low57 Ų57137.6 Ų137.659%0.58879%0.791SS**  trans127.884.6138.700000118.1K536G534-K536 PolarHBondContact O-NZ 2.82Å
535L34.3Very low31.4Very low170 Ų170135.2 Ų135.289%0.8979%0.789SS**  trans-27.2147.3164.3-70.2163.6000116.7
536K34.8Very low31.3Very low185 Ų185136.1 Ų136.180%0.80479%0.793SS**  trans120.1140.217576.3-148.2149.1-61.70110.9G534G534-K536 PolarHBondContact O-NZ 2.82Å
537G30.7Very low31.2Very low64 Ų64134.4 Ų134.466%0.6679%0.79SS**  cis159122.1-0.800000107.1H539G537-H539 PolarHBondContact O-N 3.05Å
538W31.3Very low31.3Very low255 Ų255135.8 Ų135.897%0.96679%0.794SS**  trans-70.8122.3-171.9-7849.1000110.4
539H27.6Very low31.1Very low171 Ų171130.1 Ų130.179%0.79279%0.786SS**  trans-134117.9164.2-117.2-93.4000108.7G537 D541G537-H539 PolarHBondContact O-N 3.05Å; H539-D541 IonicContact ND1-OD2 3.43Å
540S31.3Very low31.1Very low104 Ų104130.3 Ų130.373%0.72778%0.782SS**  trans-83.3131.7166.1-56.10000108.2
541D27.2Very low31.2Very low146 Ų146130.2 Ų130.278%0.78178%0.776SS**  trans-142.7133.5160.2-93.9-55.9000109.6H539H539-D541 IonicContact ND1-OD2 3.43Å
542I32.9Very low31.2Very low157 Ų157132.6 Ų132.681%0.80577%0.773SS**  trans-110119.3-176.4-64.1174.1000108.5
543L30.1Very low31.3Very low173 Ų173134.9 Ų134.991%0.90677%0.773SS**  trans-13485.7167.5-71.3177.5000111.2
544A37.1Very low31.4Very low80 Ų80131.3 Ų131.366%0.66176%0.755SS**  trans-87.8160.8140.400000107.5
545P42.1Very low31.4Very low100 Ų100132.5 Ų132.565%0.64975%0.754SS**  -156.6-173.888.434.4-11000116.4
546Q28.6Very low31.2Very low158 Ų158134.7 Ų134.774%0.73875%0.751SS**  trans78.2141.9162.2-42.1-45.31.700118.3
547T27.5Very low30.9Very low121 Ų121133.9 Ų133.974%0.74274%0.744SS**  cis-158.8137-7.470000111.3
548S32.4Very low30.9Very low117 Ų117139.3 Ų139.382%0.81875%0.75SS**  173.6114120.557.30000111.4
549A27.5Very low30.6Very low91 Ų91131.5 Ų131.575%0.75274%0.739SS**  trans-83.9171.3168.200000110.2
550T29.7Very low30.8Very low132 Ų132127.8 Ų127.881%0.8174%0.739SS**  -174.2164.567.629.10000110.1
551S30.3Very low30.6Very low88 Ų88132.4 Ų132.462%0.61575%0.749SS**  cis-170140.8-3.342.90000113.2
552L32.1Very low30.8Very low160 Ų160130.8 Ų130.884%0.83875%0.749SS**  trans58.5169.8137-54.2169.6000118.5
553T31.3Very low30.7Very low116 Ų116129 Ų12971%0.71275%0.751SS**  cis-141.7165.35.246.80000108
554N30.9Very low30.7Very low113 Ų113129.1 Ų129.160%0.60475%0.746SS**  cis-161.8162.3-9.1-99.54.4000106
555S29.1Very low30.1Very low81 Ų81135 Ų13557%0.56676%0.757SS**  cis90.3130.122.4-168.30000116.6
556W30.2Very low29.6Very low217 Ų217141 Ų14182%0.82277%0.768SS**  -178.4120.3127.8-88.317.9000107.5
557Y30Very low29.4Very low167 Ų167139.3 Ų139.366%0.65577%0.774SS**  71.4144.977.6-74.7-54.3000113.5
558F29.1Very low29.5Very low178 Ų178137.6 Ų137.678%0.78177%0.772SS**  cis-153.9168.67.7-112.1-47.2000107.5
559A25.9Very low29.5Very low91 Ų91137.9 Ų137.975%0.75277%0.774SS**  cis-150.1-133.5-2.300000110.2
560A30.5Very low29.6Very low94 Ų94137.5 Ų137.578%0.77777%0.77SS**  trans-149.6162.9178.300000110.9
561E28.4Very low29.8Very low201 Ų201138.5 Ų138.594%0.93977%0.769SS**  trans-173.1175.7139.5-113.7176.9-167.700113.4
562S31.7Very low29.9Very low112 Ų112145.6 Ų145.678%0.78378%0.784SS**  trans-135.9144.8-168.659.40000113.3
563S30.7Very low29.6Very low120 Ų120141 Ų14184%0.83978%0.776SS**  trans-153.3146.5162.656.90000113.3
564H29.3Very low29.4Very low174 Ų174143.8 Ų143.881%0.80679%0.786SS**  trans-86.3162.1166.8-58.3-101.3000109.9
565F24.8Very low29.4Very low205 Ų205143.3 Ų143.390%0.89979%0.792SS**  -173.9160.3119-107.1-71.4000112.7
566Y31.1Very low29.4Very low226 Ų226144.3 Ų144.389%0.88681%0.805SS**  trans-75.3152.8170.4-79.5-107.6000111.8
567S25.5Very low29.4Very low122 Ų122137.8 Ų137.885%0.85380%0.797SS**  -161.9157.5125.7-160.10000112.3
568A30.1Very low29.4Very low85 Ų85141 Ų14170%0.70281%0.81SS**  trans-145.9140.2167.400000108.9
569S31.4Very low29.4Very low123 Ų123137.7 Ų137.786%0.8681%0.809SS**  trans177132.8147.5-86.60000115
570A29.9Very low29.4Very low82 Ų82137.5 Ų137.568%0.67881%0.807SS**  trans58117.5130.500000123.5
571I33.8Very low29.3Very low154 Ų154143.8 Ų143.879%0.7981%0.812SS**  60.9116.3121.1-57.9167.5000119.2
572Y31.6Very low29.2Very low237 Ų237138.6 Ų138.693%0.92980%0.798SS**  -143.3157.2120.9-115.9-85.2000109
573G27.3Very low29.1Very low64 Ų64138.7 Ų138.766%0.6680%0.798SS**  trans-153.6173.1176.700000111.6
574N26.5Very low28.9Very low173 Ų173137.1 Ų137.193%0.92579%0.787SS**  trans-151.4164.2166.2-156.58.1000112.4
575S30.2Very low29Very low103 Ų103137.4 Ų137.472%0.7279%0.788SS**  trans-96.9150-169.3-178.60000114
576A30.2Very low29.3Very low103 Ų103135.6 Ų135.685%0.85179%0.787SS**  trans-147.3138.4144.300000108.6
577A30.4Very low29.8Very low79 Ų79130.4 Ų130.465%0.65378%0.781SS**  trans-109.2157.4-177.200000111.8
578Y29.9Very low30.1Very low236 Ų236131.7 Ų131.793%0.92578%0.784SS**  -163.8147128.5-108.7-72000110.5
579S28.1Very low29.9Very low108 Ų108131.5 Ų131.576%0.75579%0.79SS**  trans-122.1143.4-172.8-53.40000112
580A27.2Very low29.7Very low87 Ų87130.9 Ų130.972%0.71979%0.785SS**  trans-159.1108.6159.200000113.2
581Y28.1Very low29.6Very low225 Ų225133.3 Ų133.388%0.88279%0.787SS**  trans43.7143.7130.3-55.2-60.7000122.1
582S25.2Very low29.3Very low92 Ų92134.3 Ų134.364%0.64379%0.788SS**  cis-174.4153.7-12.1-168.50000110.7
583C29.4Very low29.1Very low114 Ų114127.1 Ų127.177%0.7778%0.777SS**  trans53.4154.9151.5-77.60000121.9
584S28Very low29.1Very low87 Ų87129.7 Ų129.761%0.60878%0.784SS**  cis-174.8-176.1-20.154.80000110.6
585Q29.9Very low29.1Very low181 Ų181126.1 Ų126.185%0.84678%0.778SS**  trans81.5108.8158.3-68.5174.84.500120.1
586L31.2Very low29Very low166 Ų166127.5 Ų127.587%0.86978%0.782SS**  trans-69.9159.7137.4-83.8152.8000109.8
587P42Very low29.1Very low118 Ų118134 Ų13477%0.76679%0.785SS**  -138.7172.4111.538.4-27.9000115.2
588T31.2Very low29Very low148 Ų148141.7 Ų141.791%0.90880%0.797SS**  trans-72.3158178.324.90000114.7
589G26.3Very low29Very low81 Ų81142.1 Ų142.184%0.83580%0.797SS**  trans-152.4154167.200000110.3
590C27.1Very low30.1Very low110 Ų110142.6 Ų142.674%0.74380%0.797SS**  trans-128.6172.6-164.4-154.20000113.7
591D27.4Very low30.1Very low134 Ų134148.5 Ų148.572%0.71781%0.807SS**  trans70.1164.5158.7-56.6-40.6000119.6
592Q29.1Very low30.2Very low175 Ų175147.1 Ų147.182%0.81881%0.808SS**  cis-164.5167.2-47.3-166.4166.867.200107.8
593A26.4Very low30.4Very low85 Ų85146.1 Ų146.170%0.70281%0.812SS**  trans72.3156.8158.900000118.3
594C27.5Very low30.4Very low119 Ų119148.2 Ų148.280%0.80482%0.816SS**  cis-168.2132.1-35.8-109.50000110.5
595A27.1Very low30.6Very low98 Ų98155.5 Ų155.581%0.8183%0.83SS**  trans60.7175.9152.400000117.1
596V27.8Very low30.6Very low131 Ų131150.7 Ų150.779%0.79483%0.829SS**  cis-132.4149.37.8175.80000111.1
597R32.3Very low30.6Very low240 Ų240149.5 Ų149.591%0.90682%0.823SS**  trans-96.9130.4179-175.1-164.8-149177.28.7111.6
598R27.9Very low30Very low241 Ų241149.8 Ų149.891%0.90983%0.828SS**  trans-141.9146.2164.3-74.7-162.6176.7-166.1-0.2114.7
599R30.8Very low29.9Very low245 Ų245152.9 Ų152.993%0.92582%0.823SS**  trans-159.9172.2174.9-119.1-170.3-177.6-1772.3104.9
600P50.9Low30.1Very low117 Ų117159.8 Ų159.876%0.7682%0.824SS**  cis-127.9-173.5-26.740.5-25.6000111.6
601K26.7Very low30.1Very low212 Ų212160.1 Ų160.192%0.92283%0.828SS**  trans-153.7175.2146.5-138.6-178176.4-177.30111.7
602Q29.4Very low30.2Very low195 Ų195164.7 Ų164.791%0.91184%0.835SS**  trans-151159.2-159.9-170-17726.700110.8
603G30.9Very low30.4Very low71 Ų71164 Ų16473%0.73283%0.831SS**  trans118.2145.4173.700000113
604D28.8Very low30.6Very low158 Ų158169.6 Ų169.685%0.84584%0.843SS**  cis-154.1-176.1-9-158.4-2.7000110.7
605R32.8Very low30.8Very low241 Ų241171.8 Ų171.891%0.90984%0.841SS**  trans-75.7155.1-170.5-63.7175.5171.2-165-2.4115.5
606G29.9Very low31.1Very low80 Ų80171.7 Ų171.783%0.82584%0.835SS**  trans-143.9141.8155.400000109.9
607D30.5Very low31.3Very low140 Ų140170.6 Ų170.675%0.74983%0.833SS**  trans-118.4138.5-174-176.116.6000111.3
608S29.7Very low31.8Very low124 Ų124165.8 Ų165.887%0.86782%0.819SS**  trans-166.7145.9159.9-87.20000111.6
609R29.5Very low32.3Very low213 Ų213162.6 Ų162.680%0.80482%0.815SS**  trans-110.5143.7-172.6-69.7178.9169.7-157.6-4.8112.4
610R29.7Very low32.6Very low227 Ų227159.8 Ų159.886%0.85781%0.809SS**  trans59.8106.5154.3-65.6172.7179.1-92.90.9117.8
611S26.4Very low32Very low117 Ų117161.7 Ų161.782%0.81881%0.808SS**  -136.8152.2123.6-168.20000108.6
612W31Very low32.5Very low229 Ų229157.9 Ų157.987%0.86779%0.792SS**  trans-126.8148.9172.3-9686.2000108.5
613H33.2Very low33Very low161 Ų161158.2 Ų158.275%0.74579%0.79SS**  trans83.673.9-170.5-61.2-86.1000116.6
614E29.7Very low33.3Very low202 Ų202165.5 Ų165.594%0.94480%0.795SS**  trans-109.3123.9133.6-78.1-165.6115.900108.5
615E31.7Very low33.8Very low165 Ų165170 Ų17077%0.77180%0.801SS**  trans-84.6121.9172.9-68.4-178.9162.200109.6
616S34.2Very low33.9Very low97 Ų97164.1 Ų164.168%0.67880%0.796SS**  trans-62.8138.3-176.7-178.10000112.4F618S616-F618 PolarHBondContact O-N 3.16Å
617S32.4Very low33.9Very low108 Ų108167 Ų16776%0.75580%0.802SS**THydrogen-bonded Turntrans-65.2-5.8-176.352.70000115.1
618F41.1Very low34Very low139 Ų139169.1 Ų169.161%0.6181%0.807SS**THydrogen-bonded Turntrans-69.1-35.2-174.9-153.3-107.3000114.2S616 K620 Q621 F622S616-F618 PolarHBondContact O-N 3.16Å; F618-K620 VanDerWaalsContact C-N 3.32Å; F618-K620 PolarHBondContact O-N 3.1Å; F618-Q621 PolarHBondContact O-N 3.44Å; F618-F622 HydrophobicContact CD1-CE2 4.38Å; F618-F622 AromaticContact CE1-CE2 3.84Å; F618-F622 HydrophobicContact CE1-CE2 3.84Å; F618-F622 HydrophobicContact CZ-CE2 4.14Å
619E39.1Very low34.2Very low174 Ų174170.6 Ų170.681%0.81380%0.802SS**THydrogen-bonded Turntrans-72.9-22.6-168-166.3164.8-166.800113.7Q621E619-Q621 VanDerWaalsContact C-N 3.3Å; E619-Q621 PolarHBondContact O-N 2.88Å
620K37.3Very low34.5Very low186 Ų186166.3 Ų166.381%0.80979%0.792SS**THydrogen-bonded Turntrans-75.9-12.7-177.8-72.5169.8-178.2161.50114F618F618-K620 VanDerWaalsContact C-N 3.32Å; F618-K620 PolarHBondContact O-N 3.1Å
621Q38.5Very low34.5Very low156 Ų156163.9 Ų163.973%0.72979%0.787SS**SBendtrans-93.5-20.8-169.1-146.417228.200115.2F618 E619F618-Q621 PolarHBondContact O-N 3.44Å; E619-Q621 VanDerWaalsContact C-N 3.3Å; E619-Q621 PolarHBondContact O-N 2.88Å
622F36.9Very low34.7Very low133 Ų133161.8 Ų161.858%0.58378%0.784SS**THydrogen-bonded Turntrans-89.1-11.6-173.5-80.8-84.1000115.7F618 R624F618-F622 HydrophobicContact CD1-CE2 4.38Å; F618-F622 AromaticContact CE1-CE2 3.84Å; F618-F622 HydrophobicContact CE1-CE2 3.84Å; F618-F622 HydrophobicContact CZ-CE2 4.14Å; F622-R624 VanDerWaalsContact C-N 3.34Å; F622-R624 PolarHBondContact O-N 2.91Å
623K39.3Very low35Very low201 Ų201160.1 Ų160.187%0.87479%0.786SS**THydrogen-bonded Turntrans-89.413.5-173.4-146166.2-1721690115.1
624R38Very low34.7Very low225 Ų225158.3 Ų158.385%0.84979%0.792SS**SBendtrans-138.3141.4167.2-69.1-170.6176.9-156.8-0.3109.7F622F622-R624 VanDerWaalsContact C-N 3.34Å; F622-R624 PolarHBondContact O-N 2.91Å
625R39Very low34.9Very low253 Ų253156 Ų15696%0.95578%0.784SS**  trans75.277.3-177-51.1-179.9-178.7-137.60.2116
626S35.6Very low34.9Very low116 Ų116156.5 Ų156.581%0.81179%0.791SS**  trans-147.155.2153.9-156.90000111.5
627C29.5Very low34.8Very low140 Ų140156.6 Ų156.695%0.94679%0.792SS**  trans-137.982.9170.7-69.50000108.9
628Q32.7Very low34.6Very low186 Ų186159.1 Ų159.187%0.86980%0.797SS**  trans-138.2115.6169.9-171.8168.25.200107.4
629M33.2Very low34.1Very low154 Ų154159.3 Ų159.376%0.75980%0.804SS**  trans-76.4136179.4-59.3-157.5-48.100109.9F631M629-F631 HydrophobicContact CE-CE2 4.14Å; M629-F631 HydrophobicContact CE-CZ 4.01Å
630E35.4Very low33.7Very low124 Ų124162.4 Ų162.458%0.57981%0.808SS**  trans-93.9108.3169.8-59.6-175144.100108.4K53K53-E630 WeakPolarHBondContact CB-OE1 3.45Å; K53-E630 VanDerWaalsContact CD-OE2 3.27Å; K53-E630 WeakPolarHBondContact CD-OE2 3.12Å; K53-E630 WeakPolarHBondContact CE-OE2 3.14Å; K53-E630 WeakPolarHBondContact CG-OE2 3.08Å; K53-E630 IonicContact NZ-OE2 3.51Å; K53-E630 PolarHBondContact NZ-OE2 2.97Å
631F30.8Very low33.4Very low176 Ų176158.3 Ų158.377%0.77280%0.803SS**  trans-68.7139162.9-74-89.9000108.9M629M629-F631 HydrophobicContact CE-CE2 4.14Å; M629-F631 HydrophobicContact CE-CZ 4.01Å
632G30.7Very low33Very low73 Ų73161 Ų16175%0.75381%0.807SS**  trans-104.6114.6173.600000110
633E36.2Very low32.7Very low194 Ų194160.6 Ų160.691%0.90781%0.807SS**PPolyproline II helixtrans-100.1140.1165.5-66.9-172.1130.800109.3
634S28.5Very low32.4Very low123 Ų123158.7 Ų158.786%0.8680%0.801SS**PPolyproline II helixtrans-85.7146-178.5-68.70000111.6L636S634-L636 PolarHBondContact O-N 3.11Å
635I31.8Very low32.1Very low154 Ų154155.6 Ų155.679%0.7980%0.801SS**PPolyproline II helixtrans-66.4129.1177.4-63.4165.4000109.9
636L32.8Very low31.7Very low174 Ų174147.3 Ų147.391%0.91179%0.793SS**  trans-114.2115.6146.4-87.5171.6000107.7S634S634-L636 PolarHBondContact O-N 3.11Å
637S31.3Very low31.7Very low99 Ų99151.7 Ų151.769%0.69280%0.798SS**  trans-91.9132.4174.354.10000109.9
638D29.3Very low32Very low162 Ų162152 Ų15287%0.86680%0.795SS**  trans-145.6149.7152.1-138.4-28.8000111.2
639N30Very low31.9Very low143 Ų143146.1 Ų146.177%0.76578%0.784SS**  trans-100.9139.5-169-79.2-59.7000112.4
640R31Very low32Very low238 Ų238144.4 Ų144.490%0.89879%0.787SS**  trans-167109.4140.6-102141.4-156.3-115.83.9114.1
641S31.3Very low31.9Very low100 Ų100147.1 Ų147.170%0.69980%0.8SS**  trans45.2118.8131.358.10000121.6
642R30Very low32.1Very low212 Ų212143.5 Ų143.580%0.880%0.797SS**  49.4137.4106.8175.5-172.9169.9-173.4-4.8117.7
643E30.7Very low32.3Very low126 Ų126146.2 Ų146.259%0.58980%0.804SS**  cis-120.215215.4-105.5110.4177.200111.5
644E32.8Very low32.2Very low161 Ų161146.6 Ų146.675%0.75280%0.803SS**  84.8138.569.9-149.1-168.6-177.200116.4
645L31.8Very low32.5Very low160 Ų160146.7 Ų146.784%0.83880%0.804SS**  trans81.5142.8173-68114000119.7
646G30.9Very low32.6Very low78 Ų78142.1 Ų142.180%0.80480%0.795SS**  trans135.777.316700000116.1
647K35.8Very low32.8Very low208 Ų208139.6 Ų139.690%0.90479%0.792SS**  trans-69.5140.3169.7-62.1167.9-178.8169.70111
648V34.6Very low33.1Very low147 Ų147142.9 Ų142.989%0.89180%0.798SS**  175.2152.2121.6152.70000107.7
649G31.1Very low33.7Very low62 Ų62144 Ų14464%0.63980%0.798SS**  trans-117.5-151.6-17600000114.5
650S35.2Very low34.6Very low118 Ų118144.2 Ų144.283%0.82580%0.798SS**  trans90.2108.8171.9-58.20000118.9
651Q33.3Very low35.2Very low181 Ų181140 Ų14085%0.84679%0.791SS**  trans63.7108133.7-60.7-159.7-5.200121.9
652S35.3Very low35.7Very low101 Ų101143.7 Ų143.771%0.70680%0.798SS**  22.8121.4126.657.80000120.6
653S35.1Very low36.4Very low130 Ų130140 Ų14091%0.90980%0.799SS**  trans-152.9122.2131.6-81.70000109.6
654F32.9Very low37.5Very low202 Ų202143.1 Ų143.189%0.88683%0.834SS**  trans-120.599.6174-170.1-86.1000108.2G656F654-G656 PolarHBondContact O-N 2.6Å
655S35.6Very low37.7Very low124 Ų124142.2 Ų142.287%0.86784%0.838SS**  trans-83.9105.7178.2-166.90000109.5
656G33.4Very low38Very low58 Ų58141.3 Ų141.360%0.59884%0.838SS**  trans-99.1105.9173.800000110.6F654F654-G656 PolarHBondContact O-N 2.6Å
657S37.6Very low38.4Very low121 Ų121144.8 Ų144.885%0.84684%0.84SS**  trans-68.8133.8165.839.30000110
658M36.8Very low38.6Very low169 Ų169141.1 Ų141.183%0.83384%0.836SS**  trans-124.4109178.7-179.4152.259.600109.1
659E41.9Very low38.8Very low184 Ų184140.7 Ų140.786%0.8683%0.833SS**  trans-83.7135.2175.8-65.8-177.4155.600110.2
660I48.9Very low39.3Very low148 Ų148145.9 Ų145.976%0.75985%0.845SS**  trans-109.7124.6175.4-61.7174.6000106.9
661I43.5Very low39.6Very low149 Ų149147.9 Ų147.976%0.76485%0.847SS**  trans-102.6108.2174.3-59.6173.7000107.5
662E42.8Very low40.1Very low179 Ų179145.4 Ų145.484%0.83685%0.847SS**  trans-75.3144.4163.8-66.9-170.4129.200109.8
663V45.1Very low40.5Very low135 Ų135149.1 Ų149.182%0.81886%0.859SS**  trans-115.4124.3176-177.90000107.7
664S52.2Low41Very low190 Ų190150.8 Ų150.8100%1.32985%0.854SS**  trans-85.40176.3-51.50000112.4

Retrieved 664 of 664 residues in 250.7 ms (Link to these results)

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