G4VD59_SCHMA Loading...

peptidylprolyl isomerase

AlphaFold DB , UniProt , Accession G4VD59, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 430 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
1M41.7Very low54.2Low243 Ų243106.4 Ų106.4100%1.19763%0.629SS**  043.50-71.5-179.6171.500110.6
2A47.4Very low55.6Low87 Ų87109.8 Ų109.872%0.71963%0.634SS**  trans-117.61.9-173.600000114.6
3D48.3Very low56.8Low148 Ų148110.3 Ų110.379%0.79163%0.627SS**SBendtrans-108.84-176.1-71.8-30.6000114.2
4N51.3Low58.3Low97 Ų97116.1 Ų116.152%0.51963%0.634SS.*SBendtrans-92.2-31.4-177-144.947.7000113.2G6 Q7 E8N4-G6 PolarHBondContact O-N 3.34Å; N4-Q7 PolarHBondContact O-N 3.32Å; N4-E8 PolarHBondContact O-N 3.42Å
5D50.3Low59.8Low119 Ų119114.9 Ų114.964%0.63663%0.631SS**Hα-helixtrans-68.5-34.4-174.1-64.3-11.5000112.9Q7 S9D5-Q7 VanDerWaalsContact C-N 3.34Å; D5-Q7 PolarHBondContact O-N 3.49Å; D5-S9 PolarHBondContact O-N 3.13Å; D5-S9 VanDerWaalsContact O-N 3.13Å
6G48.2Very low61.2Low55 Ų55112.5 Ų112.557%0.56761%0.614SS**Hα-helixtrans-73.5-23.117900000114.1N4 G10N4-G6 PolarHBondContact O-N 3.34Å; G6-G10 PolarHBondContact O-N 2.99Å
7Q50.5Low62.5Low143 Ų143111.9 Ų111.967%0.66861%0.61SS**Hα-helixtrans-80.4-39.9176-69.4-168.1-16.400111.4N4 D5 G10 A11N4-Q7 PolarHBondContact O-N 3.32Å; D5-Q7 VanDerWaalsContact C-N 3.34Å; D5-Q7 PolarHBondContact O-N 3.49Å; Q7-G10 PolarHBondContact O-N 3.48Å; Q7-A11 WeakPolarHBondContact O-CB 3.42Å; Q7-A11 PolarHBondContact O-N 3.34Å
8E56.4Low64Low124 Ų124113.7 Ų113.758%0.57961%0.613SS**Hα-helixtrans-65-43.9174.7-78.2-176.4178.700111.6N4 G10 A11 Q12N4-E8 PolarHBondContact O-N 3.42Å; E8-G10 VanDerWaalsContact C-N 3.33Å; E8-G10 PolarHBondContact O-N 2.94Å; E8-A11 PolarHBondContact O-N 3.27Å; E8-Q12 WeakPolarHBondContact O-CB 3.35Å; E8-Q12 PolarHBondContact O-N 3.02Å
9S62.4Low65.5Low72 Ų72112.1 Ų112.150%0.50360%0.598SS.*Hα-helixtrans-63.4-40.4177.888.70000112D5 Q13D5-S9 PolarHBondContact O-N 3.13Å; D5-S9 VanDerWaalsContact O-N 3.13Å; S9-Q13 WeakPolarHBondContact O-CB 3.24Å; S9-Q13 PolarHBondContact O-N 3.41Å
10G67.3Low66.9Low28 Ų28107.5 Ų107.529%0.28957%0.574SS.*Hα-helixtrans-68.5-33.9177.400000113.4G6 Q7 E8 R14G6-G10 PolarHBondContact O-N 2.99Å; Q7-G10 PolarHBondContact O-N 3.48Å; E8-G10 VanDerWaalsContact C-N 3.33Å; E8-G10 PolarHBondContact O-N 2.94Å; G10-R14 VanDerWaalsContact O-CG 3.24Å; G10-R14 WeakPolarHBondContact O-CG 3.46Å; G10-R14 PolarHBondContact O-N 3.17Å
11A72.5Confident68.2Low54 Ų54110.3 Ų110.345%0.44658%0.581SS.*Hα-helixtrans-70-45.8174.100000111.6Q7 E8 Q13 R14 V15Q7-A11 WeakPolarHBondContact O-CB 3.42Å; Q7-A11 PolarHBondContact O-N 3.34Å; E8-A11 PolarHBondContact O-N 3.27Å; A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.3Å; A11-R14 PolarHBondContact O-N 3.02Å; A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.98Å; A11-V15 VanDerWaalsContact O-N 3.08Å
12Q70.6Confident70.6Confident147 Ų147103.9 Ų103.969%0.68755%0.551SS**Hα-helixtrans-59-44.4177.6-159.881.48.300111.3E8 V15 E16E8-Q12 WeakPolarHBondContact O-CB 3.35Å; E8-Q12 PolarHBondContact O-N 3.02Å; Q12-V15 PolarHBondContact O-N 3.5Å; Q12-E16 PolarHBondContact O-N 3.26Å
13Q71.7Confident73Confident117 Ų117100.2 Ų100.255%0.54752%0.519SS..Hα-helixtrans-67.3-36.7179.6-166.7155.214.800112.5S9 A11 E16 D17S9-Q13 WeakPolarHBondContact O-CB 3.24Å; S9-Q13 PolarHBondContact O-N 3.41Å; A11-Q13 VanDerWaalsContact C-N 3.32Å; A11-Q13 PolarHBondContact O-N 3.3Å; Q13-E16 PolarHBondContact O-N 2.87Å; Q13-D17 WeakPolarHBondContact O-CB 3.4Å; Q13-D17 PolarHBondContact O-N 3.36Å
14R78.1Confident75.3Confident192 Ų19297.7 Ų97.773%0.72550%0.504SS*.Hα-helixtrans-63.7-40.7173.2-75.9173.2-171.9-169.74.3112.8G10 A11 E16 D17 E18G10-R14 VanDerWaalsContact O-CG 3.24Å; G10-R14 WeakPolarHBondContact O-CG 3.46Å; G10-R14 PolarHBondContact O-N 3.17Å; A11-R14 PolarHBondContact O-N 3.02Å; R14-E16 VanDerWaalsContact C-N 3.34Å; R14-D17 PolarHBondContact O-N 3.3Å; R14-E18 WeakPolarHBondContact O-CB 3.37Å; R14-E18 PolarHBondContact O-N 3.08Å
15V81.1Confident77.5Confident97 Ų9795.6 Ų95.659%0.58849%0.493SS*.Hα-helixtrans-65.6-40.8177.3173.80000110.5A11 Q12 E18 Y19A11-V15 WeakPolarHBondContact O-CG2 3.4Å; A11-V15 PolarHBondContact O-N 2.98Å; A11-V15 VanDerWaalsContact O-N 3.08Å; Q12-V15 PolarHBondContact O-N 3.5Å; V15-E18 PolarHBondContact O-N 3.24Å; V15-Y19 WeakPolarHBondContact O-CB 3.43Å; V15-Y19 PolarHBondContact O-N 2.86Å
16E82Confident79.8Confident77 Ų7791.6 Ų91.636%0.3647%0.471SS..Hα-helixtrans-65.5-46175.6-177.9164.4-151.500112.2Q12 Q13 R14 E18 Y19 L20 Y63Q12-E16 PolarHBondContact O-N 3.26Å; Q13-E16 PolarHBondContact O-N 2.87Å; R14-E16 VanDerWaalsContact C-N 3.34Å; E16-E18 VanDerWaalsContact C-N 3.26Å; E16-E18 PolarHBondContact O-N 3.29Å; E16-Y19 PolarHBondContact O-N 3.31Å; E16-L20 HydrophobicContact CG-CD1 3.91Å; E16-L20 HydrophobicContact CG-CG 4.32Å; E16-L20 WeakPolarHBondContact O-CB 3.48Å; E16-L20 WeakPolarHBondContact O-CG 3.3Å; E16-L20 PolarHBondContact O-N 3.42Å; E16-Y63 WeakPolarHBondContact OE1-CE1 3.23Å; E16-Y63 PolarHBondContact OE1-OH 2.6Å; E16-Y63 VanDerWaalsContact OE1-OH 3.08Å
17D83.6Confident82.1Confident102 Ų10289.6 Ų89.655%0.54545%0.448SS..Hα-helixtrans-60.3-37.3176.3-73.1-23.2000111.7Q13 R14 K21Q13-D17 WeakPolarHBondContact O-CB 3.4Å; Q13-D17 PolarHBondContact O-N 3.36Å; R14-D17 PolarHBondContact O-N 3.3Å; D17-K21 PolarHBondContact O-N 2.99Å
18E89.6Confident84.2Confident144 Ų14487.9 Ų87.967%0.67345%0.45SS*.Hα-helixtrans-68.3-42.5175.2-171.8170.1-165.500112R14 V15 E16 K21R14-E18 WeakPolarHBondContact O-CB 3.37Å; R14-E18 PolarHBondContact O-N 3.08Å; V15-E18 PolarHBondContact O-N 3.24Å; E16-E18 VanDerWaalsContact C-N 3.26Å; E16-E18 PolarHBondContact O-N 3.29Å; E18-K21 VanDerWaalsContact O-CB 3.24Å; E18-K21 WeakPolarHBondContact O-CB 3.41Å; E18-K21 PolarHBondContact O-N 3.36Å
19Y92.1Very high86Confident83 Ų8385.4 Ų85.433%0.32545%0.446SS..Hα-helixtrans-62.1-44.5175.8178.1-107.3000112.5V15 E16 K21 F23 Y63 E109 I111V15-Y19 WeakPolarHBondContact O-CB 3.43Å; V15-Y19 PolarHBondContact O-N 2.86Å; E16-Y19 PolarHBondContact O-N 3.31Å; Y19-K21 PolarHBondContact O-N 2.76Å; Y19-F23 HydrophobicContact CD1-CE2 4.26Å; Y19-F23 AromaticContact CE1-CE2 3.89Å; Y19-F23 HydrophobicContact CE1-CE2 3.89Å; Y19-F23 AromaticContact CE1-CZ 3.95Å; Y19-F23 HydrophobicContact CE1-CZ 3.95Å; Y19-F23 WeakPolarHBondContact O-CD2 3.42Å; Y19-F23 WeakPolarHBondContact O-CE2 3.49Å; Y19-Y63 HydrophobicContact CD1-CE2 4.34Å; Y19-Y63 AromaticContact CE1-CE2 3.96Å; Y19-Y63 HydrophobicContact CE1-CE2 3.96Å; Y19-E109 PolarHBondContact OH-OE1 2.94Å; Y19-E109 PolarHBondContact OH-OE2 3Å; Y19-I111 HydrophobicContact CE1-CD1 4.15Å
20L93.6Very high87.6Confident21 Ų2184.5 Ų84.511%0.1145%0.448CS..G310 helixtrans-79.3-3.2-177.6-63.4-178.6000113.8E16 D22 F23 R32 L35 I111E16-L20 HydrophobicContact CG-CD1 3.91Å; E16-L20 HydrophobicContact CG-CG 4.32Å; E16-L20 WeakPolarHBondContact O-CB 3.48Å; E16-L20 WeakPolarHBondContact O-CG 3.3Å; E16-L20 PolarHBondContact O-N 3.42Å; L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.26Å; L20-F23 HydrophobicContact CD2-CD2 4.18Å; L20-F23 HydrophobicContact CD2-CE2 4.32Å; L20-F23 HydrophobicContact CD2-CG 4.45Å; L20-F23 PolarHBondContact O-N 3.23Å; L20-R32 PolarHBondContact O-NH2 2.83Å; L20-R32 VanDerWaalsContact O-NH2 3.15Å; L20-L35 HydrophobicContact CD1-CD1 4.21Å; L20-L35 HydrophobicContact CD2-CD1 4.03Å; L20-I111 HydrophobicContact CD2-CD1 3.49Å; L20-I111 VanDerWaalsContact CD2-CD1 3.49Å
21K92.6Very high89Confident167 Ų16787 Ų8773%0.72646%0.455SS*.G310 helixtrans-63.3-35.5-178.2-171-179.8178-176.10113.3D17 E18 Y19 F23D17-K21 PolarHBondContact O-N 2.99Å; E18-K21 VanDerWaalsContact O-CB 3.24Å; E18-K21 WeakPolarHBondContact O-CB 3.41Å; E18-K21 PolarHBondContact O-N 3.36Å; Y19-K21 PolarHBondContact O-N 2.76Å; K21-F23 VanDerWaalsContact C-N 3.28Å
22D93.1Very high90.1Very high107 Ų10790.1 Ų90.157%0.57246%0.455SS*.G310 helixtrans-85.70.2-179.6-62.1-27.5000113.2L20 K37L20-D22 VanDerWaalsContact C-N 3.32Å; L20-D22 PolarHBondContact O-N 3.26Å; D22-K37 HydrophobicContact CB-CD 4Å; D22-K37 IonicContact OD2-NZ 3.71Å; D22-K37 PolarHBondContact OD2-NZ 3.35Å
23F97.3Very high91.3Very high10 Ų1083.2 Ų83.24%0.04442%0.424CS..PPolyproline II helixtrans-87.7129.9180-74.2-109.3000110.7Y19 L20 K21 L35 K36 K37 E109 I111Y19-F23 HydrophobicContact CD1-CE2 4.26Å; Y19-F23 AromaticContact CE1-CE2 3.89Å; Y19-F23 HydrophobicContact CE1-CE2 3.89Å; Y19-F23 AromaticContact CE1-CZ 3.95Å; Y19-F23 HydrophobicContact CE1-CZ 3.95Å; Y19-F23 WeakPolarHBondContact O-CD2 3.42Å; Y19-F23 WeakPolarHBondContact O-CE2 3.49Å; L20-F23 HydrophobicContact CD2-CD2 4.18Å; L20-F23 HydrophobicContact CD2-CE2 4.32Å; L20-F23 HydrophobicContact CD2-CG 4.45Å; L20-F23 PolarHBondContact O-N 3.23Å; K21-F23 VanDerWaalsContact C-N 3.28Å; F23-L35 HydrophobicContact CB-CB 3.91Å; F23-L35 HydrophobicContact CB-CD2 4.1Å; F23-L35 HydrophobicContact CB-CG 4.42Å; F23-L35 HydrophobicContact CD1-CB 3.81Å; F23-L35 HydrophobicContact CG-CB 4.21Å; F23-K36 CarbonylContact C-O 3.58Å; F23-K36 VanDerWaalsContact CA-O 3.32Å; F23-K36 WeakPolarHBondContact CA-O 3.26Å; F23-K36 VanDerWaalsContact CD1-C 3.5Å; F23-K37 HydrophobicContact CD1-CB 3.67Å; F23-K37 HydrophobicContact CD2-CB 4.03Å; F23-K37 HydrophobicContact CD2-CD 4.09Å; F23-K37 HydrophobicContact CE1-CB 3.52Å; F23-K37 HydrophobicContact CE2-CB 3.9Å; F23-K37 HydrophobicContact CE2-CD 3.66Å; F23-K37 HydrophobicContact CE2-CG 4.43Å; F23-K37 HydrophobicContact CG-CB 3.93Å; F23-K37 HydrophobicContact CZ-CB 3.63Å; F23-K37 HydrophobicContact CZ-CD 3.99Å; F23-K37 HydrophobicContact CZ-CG 4.46Å; F23-E109 HydrophobicContact CE1-CB 4.1Å; F23-E109 HydrophobicContact CE1-CG 3.97Å; F23-E109 HydrophobicContact CZ-CB 4.33Å; F23-E109 HydrophobicContact CZ-CG 4.12Å; F23-E109 VanDerWaalsContact CZ-OE1 3.24Å; F23-E109 WeakPolarHBondContact CZ-OE1 3.04Å; F23-I111 HydrophobicContact CD1-CD1 4.29Å; F23-I111 HydrophobicContact CE1-CD1 3.74Å; F23-I111 HydrophobicContact CE1-CG1 4.06Å; F23-I111 HydrophobicContact CZ-CD1 3.95Å
24M97.2Very high92.6Very high95 Ų9577.7 Ų77.747%0.46840%0.398SS..EExtended strand (participates in β ladder)trans-77.7139.9168.166.1179.659.700110.3L26 L35 K36M24-L26 HydrophobicContact CG-CD2 4.02Å; M24-L26 HydrophobicContact CG-CG 4.21Å; M24-L26 HydrophobicContact SD-CD2 3.8Å; M24-L26 HydrophobicContact SD-CG 4.45Å; M24-L35 CarbonylContact O-C 3.57Å; M24-L35 WeakPolarHBondContact O-CA 3.35Å; M24-K36 HydrophobicContact CG-CB 3.82Å; M24-K36 WeakPolarHBondContact CG-O 3.47Å; M24-K36 PolarHBondContact N-O 2.93Å; M24-K36 PolarHBondContact O-N 2.8Å; M24-K36 HydrophobicContact SD-CB 4.41Å; M24-K36 HydrophobicContact SD-CD 4.34Å
25D98Very high93.6Very high54 Ų5468.8 Ų68.829%0.28937%0.365SS..EExtended strand (participates in β ladder)trans-84.4120.6171.8-173.46000110.1S27 G30 R32 L35D25-S27 VanDerWaalsContact CG-OG 3.22Å; D25-S27 VanDerWaalsContact OD1-CB 3.22Å; D25-S27 WeakPolarHBondContact OD1-CB 3.37Å; D25-S27 PolarHBondContact OD1-N 3.44Å; D25-S27 PolarHBondContact OD1-OG 3.08Å; D25-S27 PolarHBondContact OD2-OG 3.18Å; D25-G30 VanDerWaalsContact OD2-C 3.24Å; D25-G30 WeakPolarHBondContact OD2-CA 3.46Å; D25-R32 HydrophobicContact CB-CG 4.47Å; D25-R32 WeakPolarHBondContact OD1-CA 3.36Å; D25-R32 WeakPolarHBondContact OD2-CA 3.48Å; D25-R32 PolarHBondContact OD2-N 3.01Å; D25-L35 HydrophobicContact CB-CD2 4.26Å
26L97.9Very high94.4Very high35 Ų3564.5 Ų64.518%0.18334%0.338CS..  trans-107.41.6176-59.7-175.9000112.4M24 I34 K36 V97 T101M24-L26 HydrophobicContact CG-CD2 4.02Å; M24-L26 HydrophobicContact CG-CG 4.21Å; M24-L26 HydrophobicContact SD-CD2 3.8Å; M24-L26 HydrophobicContact SD-CG 4.45Å; L26-I34 HydrophobicContact CB-CB 4.17Å; L26-I34 HydrophobicContact CB-CG2 3.95Å; L26-I34 PolarHBondContact N-O 2.55Å; L26-K36 HydrophobicContact CD1-CB 3.6Å; L26-K36 HydrophobicContact CD1-CD 3.76Å; L26-K36 HydrophobicContact CD1-CG 4.29Å; L26-K36 HydrophobicContact CG-CB 4.12Å; L26-V97 HydrophobicContact CB-CG1 3.95Å; L26-V97 WeakPolarHBondContact O-CG1 3.46Å; L26-T101 HydrophobicContact CD1-CG2 3.95Å; L26-T101 HydrophobicContact CD2-CG2 4.16Å
27S97.1Very high95.2Very high12 Ų1263.4 Ų63.48%0.08433%0.332CS..  trans-62.9132.2-179.462.40000110.9D25 S29 G30 D31 R32D25-S27 VanDerWaalsContact CG-OG 3.22Å; D25-S27 VanDerWaalsContact OD1-CB 3.22Å; D25-S27 WeakPolarHBondContact OD1-CB 3.37Å; D25-S27 PolarHBondContact OD1-N 3.44Å; D25-S27 PolarHBondContact OD1-OG 3.08Å; D25-S27 PolarHBondContact OD2-OG 3.18Å; S27-S29 PolarHBondContact O-N 3.43Å; S27-S29 VanDerWaalsContact O-N 3.12Å; S27-G30 PolarHBondContact O-N 2.91Å; S27-G30 VanDerWaalsContact OG-CA 3.23Å; S27-G30 WeakPolarHBondContact OG-CA 3.38Å; S27-G30 PolarHBondContact OG-N 2.96Å; S27-G30 VanDerWaalsContact OG-N 3.1Å; S27-D31 WeakPolarHBondContact CB-OD1 3.21Å; S27-D31 PolarHBondContact OG-N 3.34Å; S27-D31 PolarHBondContact OG-OD1 3.4Å; S27-R32 PolarHBondContact OG-N 2.76Å
28P94.3Very high95.9Very high108 Ų10860.4 Ų60.470%0.70132%0.317SS*.THydrogen-bonded Turntrans-58.4-25.1176.4-27.935.3000114.4
29S95.1Very high96.3Very high72 Ų7257.6 Ų57.650%0.50331%0.306SS..THydrogen-bonded Turntrans-92-10.1178.943.30000113.7S27 D31 Y116S27-S29 PolarHBondContact O-N 3.43Å; S27-S29 VanDerWaalsContact O-N 3.12Å; S29-D31 VanDerWaalsContact C-N 3.27Å; S29-D31 PolarHBondContact O-N 3.21Å; S29-D31 PolarHBondContact OG-OD1 2.96Å; S29-D31 PolarHBondContact OG-OD2 3.32Å; S29-Y116 PolarHBondContact OG-OH 2.76Å
30G94.9Very high96.6Very high52 Ų5259.2 Ų59.254%0.53631%0.312SS..SBendtrans66.327.7-172.400000113.7D25 S27D25-G30 VanDerWaalsContact OD2-C 3.24Å; D25-G30 WeakPolarHBondContact OD2-CA 3.46Å; S27-G30 PolarHBondContact O-N 2.91Å; S27-G30 VanDerWaalsContact OG-CA 3.23Å; S27-G30 WeakPolarHBondContact OG-CA 3.38Å; S27-G30 PolarHBondContact OG-N 2.96Å; S27-G30 VanDerWaalsContact OG-N 3.1Å
31D96.4Very high96.8Very high82 Ų8263.9 Ų63.944%0.43933%0.333SS..SBendtrans-93.910.5-177.96412.3000113.7S27 S29 G33 Y116S27-D31 WeakPolarHBondContact CB-OD1 3.21Å; S27-D31 PolarHBondContact OG-N 3.34Å; S27-D31 PolarHBondContact OG-OD1 3.4Å; S29-D31 VanDerWaalsContact C-N 3.27Å; S29-D31 PolarHBondContact O-N 3.21Å; S29-D31 PolarHBondContact OG-OD1 2.96Å; S29-D31 PolarHBondContact OG-OD2 3.32Å; D31-G33 PolarHBondContact O-N 3.19Å; D31-G33 WeakPolarHBondContact OD1-CA 3.22Å; D31-G33 PolarHBondContact OD1-N 3.19Å; D31-Y116 WeakPolarHBondContact OD1-CE2 3.32Å; D31-Y116 PolarHBondContact OD2-OH 3.44Å
32R95.5Very high97Very high118 Ų11856.7 Ų56.745%0.44531%0.307SS..SBendtrans57.922.1-173.8-56.8-17862.479.2-1.8113.9L20 D25 S27 I34 L35L20-R32 PolarHBondContact O-NH2 2.83Å; L20-R32 VanDerWaalsContact O-NH2 3.15Å; D25-R32 HydrophobicContact CB-CG 4.47Å; D25-R32 WeakPolarHBondContact OD1-CA 3.36Å; D25-R32 WeakPolarHBondContact OD2-CA 3.48Å; D25-R32 PolarHBondContact OD2-N 3.01Å; S27-R32 PolarHBondContact OG-N 2.76Å; R32-I34 VanDerWaalsContact C-N 3.3Å; R32-I34 PolarHBondContact O-N 3Å; R32-L35 HydrophobicContact CB-CD2 4.05Å; R32-L35 HydrophobicContact CB-CG 4.42Å; R32-L35 HydrophobicContact CG-CD2 4.4Å; R32-L35 WeakPolarHBondContact O-CG 3.47Å
33G97.2Very high97Very high3 Ų359.9 Ų59.93%0.03131%0.312CS..SBendtrans-75.7-15.9179.100000114.7D31 S113 Y116D31-G33 PolarHBondContact O-N 3.19Å; D31-G33 WeakPolarHBondContact OD1-CA 3.22Å; D31-G33 PolarHBondContact OD1-N 3.19Å; G33-S113 PolarHBondContact O-N 2.92Å; G33-Y116 WeakPolarHBondContact O-CD2 3.4Å
34I98.3Very high96.6Very high0 Ų061.3 Ų61.30%032%0.323CS..EExtended strand (participates in β ladder)trans-130.4106.3171.5-50171.6000107.5L26 R32 A94 V97 I111 Y116L26-I34 HydrophobicContact CB-CB 4.17Å; L26-I34 HydrophobicContact CB-CG2 3.95Å; L26-I34 PolarHBondContact N-O 2.55Å; R32-I34 VanDerWaalsContact C-N 3.3Å; R32-I34 PolarHBondContact O-N 3Å; I34-A94 HydrophobicContact CG1-CB 4.19Å; I34-A94 HydrophobicContact CG2-CB 4.19Å; I34-V97 HydrophobicContact CD1-CB 3.86Å; I34-V97 HydrophobicContact CD1-CG1 4.03Å; I34-V97 HydrophobicContact CD1-CG2 4Å; I34-I111 WeakPolarHBondContact CA-O 3.48Å; I34-Y116 HydrophobicContact CD1-CD1 3.54Å; I34-Y116 HydrophobicContact CD1-CE1 4.01Å; I34-Y116 HydrophobicContact CD1-CG 3.94Å; I34-Y116 HydrophobicContact CG1-CD1 3.7Å; I34-Y116 HydrophobicContact CG1-CD2 4.01Å; I34-Y116 HydrophobicContact CG1-CE1 4.28Å; I34-Y116 HydrophobicContact CG1-CG 3.54Å
35L98.5Very high96.3Very high6 Ų662.8 Ų62.83%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-109.2133.5179.3-70.1174.3000109.7L20 F23 M24 D25 R32 L110 I111L20-L35 HydrophobicContact CD1-CD1 4.21Å; L20-L35 HydrophobicContact CD2-CD1 4.03Å; F23-L35 HydrophobicContact CB-CB 3.91Å; F23-L35 HydrophobicContact CB-CD2 4.1Å; F23-L35 HydrophobicContact CB-CG 4.42Å; F23-L35 HydrophobicContact CD1-CB 3.81Å; F23-L35 HydrophobicContact CG-CB 4.21Å; M24-L35 CarbonylContact O-C 3.57Å; M24-L35 WeakPolarHBondContact O-CA 3.35Å; D25-L35 HydrophobicContact CB-CD2 4.26Å; R32-L35 HydrophobicContact CB-CD2 4.05Å; R32-L35 HydrophobicContact CB-CG 4.42Å; R32-L35 HydrophobicContact CG-CD2 4.4Å; R32-L35 WeakPolarHBondContact O-CG 3.47Å; L35-L110 CarbonylContact O-C 3.45Å; L35-L110 VanDerWaalsContact O-CA 3.31Å; L35-L110 WeakPolarHBondContact O-CA 3.29Å; L35-I111 HydrophobicContact CB-CB 4.19Å; L35-I111 PolarHBondContact N-O 2.83Å; L35-I111 PolarHBondContact O-N 2.67Å
36K98.5Very high95.9Very high6 Ų662.1 Ų62.13%0.02633%0.33CS..EExtended strand (participates in β ladder)trans-123.2137.8177.6-175.8-176.7176.9-165.20111.8F23 M24 L26 T101 E106 C108 E109 L110F23-K36 CarbonylContact C-O 3.58Å; F23-K36 VanDerWaalsContact CA-O 3.32Å; F23-K36 WeakPolarHBondContact CA-O 3.26Å; F23-K36 VanDerWaalsContact CD1-C 3.5Å; M24-K36 HydrophobicContact CG-CB 3.82Å; M24-K36 WeakPolarHBondContact CG-O 3.47Å; M24-K36 PolarHBondContact N-O 2.93Å; M24-K36 PolarHBondContact O-N 2.8Å; M24-K36 HydrophobicContact SD-CB 4.41Å; M24-K36 HydrophobicContact SD-CD 4.34Å; L26-K36 HydrophobicContact CD1-CB 3.6Å; L26-K36 HydrophobicContact CD1-CD 3.76Å; L26-K36 HydrophobicContact CD1-CG 4.29Å; L26-K36 HydrophobicContact CG-CB 4.12Å; K36-T101 VanDerWaalsContact CD-OG1 3.26Å; K36-T101 WeakPolarHBondContact CD-OG1 3.26Å; K36-T101 PolarHBondContact NZ-O 3.43Å; K36-T101 PolarHBondContact NZ-OG1 3.29Å; K36-E106 WeakPolarHBondContact CE-OE1 3.43Å; K36-E106 IonicContact NZ-OE1 2.65Å; K36-E106 PolarHBondContact NZ-OE1 2.87Å; K36-E106 IonicContact NZ-OE2 3.82Å; K36-C108 HydrophobicContact CG-CB 4.19Å; K36-E109 CarbonylContact C-O 3.58Å; K36-E109 VanDerWaalsContact CA-O 3.29Å; K36-E109 WeakPolarHBondContact CA-O 3.3Å; K36-L110 HydrophobicContact CB-CD2 3.65Å; K36-L110 HydrophobicContact CD-CD2 4.17Å; K36-L110 HydrophobicContact CG-CD2 3.71Å
37K98.3Very high95.7Very high54 Ų5465 Ų6524%0.23534%0.342CS..EExtended strand (participates in β ladder)trans-130.1130.1166.2-178.8171.3-179.5164.80109.5D22 F23 C108 E109D22-K37 HydrophobicContact CB-CD 4Å; D22-K37 IonicContact OD2-NZ 3.71Å; D22-K37 PolarHBondContact OD2-NZ 3.35Å; F23-K37 HydrophobicContact CD1-CB 3.67Å; F23-K37 HydrophobicContact CD2-CB 4.03Å; F23-K37 HydrophobicContact CD2-CD 4.09Å; F23-K37 HydrophobicContact CE1-CB 3.52Å; F23-K37 HydrophobicContact CE2-CB 3.9Å; F23-K37 HydrophobicContact CE2-CD 3.66Å; F23-K37 HydrophobicContact CE2-CG 4.43Å; F23-K37 HydrophobicContact CG-CB 3.93Å; F23-K37 HydrophobicContact CZ-CB 3.63Å; F23-K37 HydrophobicContact CZ-CD 3.99Å; F23-K37 HydrophobicContact CZ-CG 4.46Å; K37-C108 CarbonylContact O-C 3.6Å; K37-C108 VanDerWaalsContact O-CA 3.29Å; K37-C108 WeakPolarHBondContact O-CA 3.32Å; K37-C108 WeakPolarHBondContact O-CB 2.95Å; K37-E109 PolarHBondContact N-O 2.81Å; K37-E109 PolarHBondContact O-N 3.23Å
38V98.3Very high95.7Very high40 Ų4064.8 Ų64.824%0.24234%0.34CS..EExtended strand (participates in β ladder)trans-78.2126.2174.2-178.20000108.6R40 E41 E106V38-R40 WeakPolarHBondContact CG1-O 3.22Å; V38-E41 HydrophobicContact CG1-CG 4.41Å; V38-E41 WeakPolarHBondContact CG1-OE1 2.97Å; V38-E106 HydrophobicContact CG1-CG 3.88Å
39L98.1Very high95.8Very high84 Ų8460.6 Ų60.644%0.4431%0.313SS..EExtended strand (participates in β ladder)trans-96.2-36.7176.5-58.6-178.3000111.2I107 E109 E127L39-I107 WeakPolarHBondContact CA-O 3.47Å; L39-I107 HydrophobicContact CB-CB 4.45Å; L39-I107 HydrophobicContact CB-CG2 4.24Å; L39-I107 WeakPolarHBondContact CB-O 3.37Å; L39-I107 HydrophobicContact CD1-CG2 4.18Å; L39-I107 PolarHBondContact N-O 3.02Å; L39-E109 HydrophobicContact CD1-CB 4.28Å; L39-E109 HydrophobicContact CD2-CB 4.41Å; L39-E109 HydrophobicContact CG-CB 4.34Å; L39-E127 HydrophobicContact CD1-CG 4.15Å
40R98.2Very high95.6Very high117 Ų11760.2 Ų60.244%0.44231%0.305SS..EExtended strand (participates in β ladder)trans-140.1125.2172.8-173.5-17972.8-162-2.1108.7V38 G105 E106 I107 E129V38-R40 WeakPolarHBondContact CG1-O 3.22Å; R40-G105 PolarHBondContact NE-O 3.37Å; R40-G105 PolarHBondContact NH2-O 3.14Å; R40-E106 VanDerWaalsContact O-CA 3.29Å; R40-E106 WeakPolarHBondContact O-CA 3.41Å; R40-E106 VanDerWaalsContact O-CG 3.3Å; R40-E106 WeakPolarHBondContact O-CG 3.18Å; R40-I107 HydrophobicContact CB-CB 4Å; R40-I107 HydrophobicContact CB-CD1 4.42Å; R40-I107 HydrophobicContact CB-CG1 4.2Å; R40-I107 PolarHBondContact N-O 2.93Å; R40-I107 PolarHBondContact O-N 2.97Å; R40-E129 IonicContact CZ-OE1 3.5Å; R40-E129 IonicContact NH1-OE1 3.28Å; R40-E129 IonicContact NH2-OE1 2.92Å; R40-E129 PolarHBondContact NH2-OE1 3.34Å
41E97.8Very high95.6Very high120 Ų12058.5 Ų58.556%0.56129%0.287SS*.  trans-60.8145.4174.5-70.3-63.2149.600111.6V38V38-E41 HydrophobicContact CG1-CG 4.41Å; V38-E41 WeakPolarHBondContact CG1-OE1 2.97Å
42G96.3Very high95.6Very high16 Ų1654.6 Ų54.617%0.16527%0.267CS..  trans-71.2157.8170.800000112.3L104G42-L104 CarbonylContact C-O 3.54Å; G42-L104 WeakPolarHBondContact CA-O 3.16Å
43Y94.4Very high95.6Very high173 Ų17350.7 Ų50.768%0.67826%0.256SS*.SBendtrans-89.9-2.2179.655.5-103.5000113.6L104Y43-L104 HydrophobicContact CE2-CB 4.07Å; Y43-L104 PolarHBondContact N-O 2.91Å
44S88.8Confident95.6Very high40 Ų4050.6 Ų50.628%0.2826%0.255SS..SBendtrans-139.8147.7178.2177.60000110.5V46 K103S44-V46 PolarHBondContact O-N 2.88Å; S44-V46 WeakPolarHBondContact OG-CG2 3.36Å; S44-V46 PolarHBondContact OG-N 3.17Å; S44-K103 VanDerWaalsContact O-CB 3.24Å; S44-K103 WeakPolarHBondContact O-CB 3.47Å; S44-K103 WeakPolarHBondContact O-CG 3.28Å
45D89.8Confident95.6Very high126 Ų12651.4 Ų51.467%0.67426%0.259SS*.SBendtrans-76.8-2.3174.1-70.2-46.1000113.7K47 K103D45-K47 PolarHBondContact O-N 3.04Å; D45-K103 WeakPolarHBondContact OD1-CE 3.35Å; D45-K103 IonicContact OD1-NZ 3.98Å; D45-K103 PolarHBondContact OD1-NZ 3.01Å
46V89.8Confident95.6Very high40 Ų4051.1 Ų51.124%0.24226%0.257CS..  trans-65.4124.6174.81740000110.1S44 L104 T133S44-V46 PolarHBondContact O-N 2.88Å; S44-V46 WeakPolarHBondContact OG-CG2 3.36Å; S44-V46 PolarHBondContact OG-N 3.17Å; V46-L104 HydrophobicContact CB-CD1 4.04Å; V46-L104 HydrophobicContact CB-CG 4.37Å; V46-L104 HydrophobicContact CG1-CD1 4.08Å; V46-L104 HydrophobicContact CG1-CG 4.38Å; V46-L104 PolarHBondContact O-N 3.36Å; V46-T133 HydrophobicContact CG1-CG2 3.7Å
47K95.2Very high95.6Very high96 Ų9651.9 Ų51.942%0.41726%0.261SS..  trans-113.5151.7172.3-58.9-178.4178.9177.80110.5D45 M102 K103D45-K47 PolarHBondContact O-N 3.04Å; K47-M102 WeakPolarHBondContact CA-O 3.32Å; K47-M102 WeakPolarHBondContact CG-O 3.46Å; K47-K103 HydrophobicContact CG-CG 4.39Å
48P96.3Very high95.6Very high8 Ų850 Ų505%0.05225%0.253CS..PPolyproline II helixtrans-59.1139.4170.4-21.132.4000112.1V54 I86 M102 L130 T133P48-V54 HydrophobicContact CB-CG1 3.56Å; P48-V54 HydrophobicContact CG-CG1 3.47Å; P48-V54 VanDerWaalsContact CG-CG1 3.47Å; P48-I86 HydrophobicContact CB-CD1 4.43Å; P48-I86 HydrophobicContact CB-CG1 3.9Å; P48-M102 WeakPolarHBondContact CD-O 3.39Å; P48-L130 HydrophobicContact CG-CD2 3.8Å; P48-T133 WeakPolarHBondContact CA-OG1 3.33Å; P48-T133 WeakPolarHBondContact CB-OG1 3.28Å
49C95.4Very high95.6Very high19 Ų1949.6 Ų49.613%0.12825%0.25CS..PPolyproline II helixtrans-100.1163.9171.9-64.30000111.2G51 D52 I150C49-G51 PolarHBondContact O-N 3Å; C49-D52 PolarHBondContact N-OD2 3.47Å; C49-D52 VanDerWaalsContact O-CB 3.25Å; C49-D52 WeakPolarHBondContact O-CB 3.45Å; C49-D52 PolarHBondContact O-N 2.88Å; C49-I150 VanDerWaalsContact CB-O 3.26Å; C49-I150 WeakPolarHBondContact CB-O 3.4Å; C49-I150 PolarHBondContact SG-O 3.3Å
50D92.3Very high95.6Very high64 Ų6445.6 Ų45.634%0.34223%0.229SC..THydrogen-bonded Turntrans-55.5127.8172.2-17259.9000110.6D52 K153D50-D52 VanDerWaalsContact C-N 3.33Å; D50-K153 WeakPolarHBondContact OD2-CE 3.29Å; D50-K153 IonicContact OD2-NZ 2.62Å; D50-K153 PolarHBondContact OD2-NZ 2.87Å
51G93.7Very high95.6Very high16 Ų1640.8 Ų40.817%0.16521%0.213CC..THydrogen-bonded Turntrans81.8-1.8-174.200000115.8C49 T85 I86 S136C49-G51 PolarHBondContact O-N 3Å; G51-T85 WeakPolarHBondContact O-CG2 3.4Å; G51-I86 PolarHBondContact N-O 2.89Å; G51-S136 PolarHBondContact O-OG 3.12Å
52D97Very high95.6Very high1 Ų136.2 Ų36.21%0.00519%0.192CC..  trans-72.4143.5170.6-75.1-0.1000110.3C49 D50 T85 I86 T133 L134 G135 S149 R211C49-D52 PolarHBondContact N-OD2 3.47Å; C49-D52 VanDerWaalsContact O-CB 3.25Å; C49-D52 WeakPolarHBondContact O-CB 3.45Å; C49-D52 PolarHBondContact O-N 2.88Å; D50-D52 VanDerWaalsContact C-N 3.33Å; D52-T85 WeakPolarHBondContact O-CA 3.43Å; D52-I86 PolarHBondContact O-N 2.84Å; D52-T133 PolarHBondContact OD2-OG1 2.79Å; D52-L134 CarbonylContact C-O 3.56Å; D52-L134 WeakPolarHBondContact CA-O 3.36Å; D52-G135 WeakPolarHBondContact OD1-CA 3.27Å; D52-S149 VanDerWaalsContact CG-OG 3.28Å; D52-S149 WeakPolarHBondContact OD1-CA 3.48Å; D52-S149 VanDerWaalsContact OD1-CB 3.27Å; D52-S149 WeakPolarHBondContact OD1-CB 3.24Å; D52-S149 PolarHBondContact OD1-OG 2.89Å; D52-S149 PolarHBondContact OD2-OG 2.88Å; D52-S149 VanDerWaalsContact OD2-OG 3.06Å; D52-R211 IonicContact OD2-NH2 2.85Å
53T96.5Very high95.6Very high36 Ų3636.4 Ų36.422%0.22119%0.188CC..EExtended strand (participates in β ladder)trans-87.9125.8167.6-58.30000109.2F84 L134T53-F84 WeakPolarHBondContact CA-O 3.06Å; T53-L134 PolarHBondContact N-O 3.15Å; T53-L134 PolarHBondContact O-N 3.41Å
54V97.3Very high95.4Very high0 Ų029.8 Ų29.80%017%0.173CC..EExtended strand (participates in β ladder)trans-108.4148.1177.5-63.50000110.9P48 V56 E83 F84 I86 V99 L130 E132P48-V54 HydrophobicContact CB-CG1 3.56Å; P48-V54 HydrophobicContact CG-CG1 3.47Å; P48-V54 VanDerWaalsContact CG-CG1 3.47Å; V54-V56 HydrophobicContact CB-CG1 4.48Å; V54-V56 HydrophobicContact CG2-CG1 4.3Å; V54-E83 WeakPolarHBondContact O-CA 3.35Å; V54-F84 HydrophobicContact CG2-CD1 3.58Å; V54-F84 HydrophobicContact CG2-CD2 4.23Å; V54-F84 HydrophobicContact CG2-CE1 3.22Å; V54-F84 HydrophobicContact CG2-CE2 3.94Å; V54-F84 HydrophobicContact CG2-CG 4.07Å; V54-F84 HydrophobicContact CG2-CZ 3.43Å; V54-F84 VanDerWaalsContact CG2-CZ 3.43Å; V54-F84 WeakPolarHBondContact CG2-O 3.42Å; V54-F84 PolarHBondContact N-O 2.92Å; V54-F84 PolarHBondContact O-N 2.92Å; V54-I86 HydrophobicContact CG1-CD1 4.15Å; V54-I86 HydrophobicContact CG1-CG1 3.82Å; V54-I86 HydrophobicContact CG2-CD1 4.12Å; V54-I86 HydrophobicContact CG2-CG1 4.33Å; V54-V99 HydrophobicContact CG2-CG1 4.15Å; V54-L130 HydrophobicContact CB-CD1 3.87Å; V54-L130 HydrophobicContact CG1-CD1 4.11Å; V54-E132 VanDerWaalsContact CA-O 3.32Å; V54-E132 WeakPolarHBondContact CA-O 3.26Å
55I97.7Very high95.5Very high17 Ų1731.3 Ų31.39%0.08720%0.195CC..EExtended strand (participates in β ladder)trans-116.5118.3175.7-49.2-173.9000108.2K81 E83 F131 E132 L134I55-K81 HydrophobicContact CG2-CB 3.68Å; I55-K81 HydrophobicContact CG2-CD 3.59Å; I55-K81 HydrophobicContact CG2-CG 4.22Å; I55-E83 HydrophobicContact CG1-CG 4.05Å; I55-E83 HydrophobicContact CG2-CG 4.25Å; I55-F131 WeakPolarHBondContact O-CB 3.46Å; I55-F131 PolarHBondContact O-N 3.22Å; I55-E132 HydrophobicContact CB-CB 4.17Å; I55-E132 HydrophobicContact CD1-CB 4.11Å; I55-E132 HydrophobicContact CG1-CB 4.14Å; I55-E132 PolarHBondContact N-O 3.46Å; I55-E132 PolarHBondContact O-N 2.93Å; I55-L134 HydrophobicContact CD1-CD1 4.34Å
56V98.4Very high95.6Very high0 Ų035 Ų350%021%0.208CC..EExtended strand (participates in β ladder)trans-131155.7-173.5-55.50000113.3V54 F82 F84 W95 V99 V128 E129 L130V54-V56 HydrophobicContact CB-CG1 4.48Å; V54-V56 HydrophobicContact CG2-CG1 4.3Å; V56-F82 HydrophobicContact CG2-CB 4.23Å; V56-F82 HydrophobicContact CG2-CD1 4.25Å; V56-F82 PolarHBondContact N-O 3.07Å; V56-F82 PolarHBondContact O-N 2.9Å; V56-F84 HydrophobicContact CG1-CE1 4.37Å; V56-F84 HydrophobicContact CG2-CE1 4.14Å; V56-W95 HydrophobicContact CG2-CH2 4.16Å; V56-W95 HydrophobicContact CG2-CZ3 3.84Å; V56-V99 HydrophobicContact CG1-CG1 4.33Å; V56-V128 HydrophobicContact CB-CG1 4.04Å; V56-V128 HydrophobicContact CG1-CG1 4.14Å; V56-V128 HydrophobicContact CG2-CG1 4.41Å; V56-E129 CarbonylContact C-O 3.6Å; V56-E129 WeakPolarHBondContact CA-O 3.48Å; V56-E129 WeakPolarHBondContact CB-O 3.49Å; V56-L130 HydrophobicContact CG1-CD1 3.87Å
57H98.3Very high95.7Very high22 Ų2239 Ų3910%0.10222%0.222CC..EExtended strand (participates in β ladder)trans-105.2152.8152.7-88.3-58.7000110.3S75 R76 E80 K81 V128 E129 F131H57-S75 VanDerWaalsContact CA-OG 3.32Å; H57-S75 WeakPolarHBondContact CA-OG 3.32Å; H57-S75 PolarHBondContact ND1-OG 3.15Å; H57-R76 HydrophobicContact CB-CG 4.16Å; H57-E80 PolarHBondContact CE1-O 3.3Å; H57-K81 WeakPolarHBondContact NE2-CG 3.35Å; H57-V128 CarbonylContact O-C 3.5Å; H57-V128 WeakPolarHBondContact O-CA 3.19Å; H57-E129 PolarHBondContact N-O 3.23Å; H57-E129 PolarHBondContact O-N 2.75Å; H57-F131 HydrophobicContact CB-CE2 3.8Å; H57-F131 HydrophobicContact CB-CZ 4.48Å; H57-F131 AromaticContact CD2-CE2 3.47Å; H57-F131 VanDerWaalsContact CD2-CE2 3.47Å; H57-F131 WeakPolarHBondContact CD2-CE2 3.45Å; H57-F131 AromaticContact CD2-CZ 3.71Å; H57-F131 AromaticContact CG-CE2 3.93Å
58Y98.3Very high95.7Very high15 Ų1539.3 Ų39.36%0.05923%0.225CC..EExtended strand (participates in β ladder)trans-150.1160.6175.472-83.7000113.6D73 S74 S75 R78 F82 W95 F126 E127Y58-D73 HydrophobicContact CE2-CB 4.18Å; Y58-D73 WeakPolarHBondContact CE2-OD2 3.37Å; Y58-D73 VanDerWaalsContact CZ-OD2 3.32Å; Y58-D73 PolarHBondContact OH-OD2 2.84Å; Y58-S74 WeakPolarHBondContact O-CA 3.35Å; Y58-S74 PolarHBondContact O-OG 3.27Å; Y58-S75 WeakPolarHBondContact CD1-OG 3.37Å; Y58-S75 PolarHBondContact N-OG 2.69Å; Y58-S75 PolarHBondContact O-N 3Å; Y58-S75 VanDerWaalsContact O-N 3.07Å; Y58-R78 PolarHBondContact OH-NH2 3.32Å; Y58-F82 HydrophobicContact CD1-CB 4.22Å; Y58-F82 HydrophobicContact CE1-CB 3.85Å; Y58-F82 HydrophobicContact CE1-CD1 4.34Å; Y58-F82 HydrophobicContact CE1-CG 4.06Å; Y58-W95 AromaticContact CD1-CH2 3.44Å; Y58-W95 HydrophobicContact CD1-CH2 3.44Å; Y58-W95 VanDerWaalsContact CD1-CH2 3.44Å; Y58-W95 HydrophobicContact CD1-CZ2 4.15Å; Y58-W95 HydrophobicContact CD1-CZ3 4.43Å; Y58-W95 HydrophobicContact CD2-CH2 4.08Å; Y58-W95 AromaticContact CD2-CZ2 3.93Å; Y58-W95 HydrophobicContact CD2-CZ2 3.93Å; Y58-W95 AromaticContact CE1-CH2 3.96Å; Y58-W95 HydrophobicContact CE1-CH2 3.96Å; Y58-W95 AromaticContact CG-CH2 3.48Å; Y58-W95 HydrophobicContact CG-CH2 3.48Å; Y58-W95 VanDerWaalsContact CG-CH2 3.48Å; Y58-W95 AromaticContact CG-CZ2 3.72Å; Y58-W95 HydrophobicContact CG-CZ2 3.72Å; Y58-F126 HydrophobicContact CD2-CD1 4.19Å; Y58-E127 CarbonylContact C-O 3.6Å; Y58-E127 WeakPolarHBondContact CA-O 3.43Å; Y58-E127 WeakPolarHBondContact CB-O 3.38Å
59V98.4Very high95.7Very high32 Ų3240.8 Ų40.819%0.19424%0.241CC..EExtended strand (participates in β ladder)trans-131117166.9-176.70000107.8T61 V71 F126 E127V59-T61 HydrophobicContact CG1-CG2 4.4Å; V59-V71 HydrophobicContact CG1-CG1 4.17Å; V59-V71 HydrophobicContact CG1-CG2 3.99Å; V59-F126 CarbonylContact O-C 3.56Å; V59-F126 VanDerWaalsContact O-CA 3.3Å; V59-F126 WeakPolarHBondContact O-CA 3.13Å; V59-E127 PolarHBondContact N-O 2.82Å; V59-E127 PolarHBondContact O-N 3.32Å
60G98.1Very high95.8Very high0 Ų044.6 Ų44.60%026%0.257CS..EExtended strand (participates in β ladder)trans-97.1127.7175.700000111.4V71 F72 D73 K125G60-V71 WeakPolarHBondContact O-CA 3.31Å; G60-F72 WeakPolarHBondContact O-CD1 3.29Å; G60-F72 PolarHBondContact O-N 3.4Å; G60-D73 PolarHBondContact N-O 2.78Å; G60-D73 PolarHBondContact O-N 2.92Å; G60-K125 CarbonylContact C-O 3.53Å; G60-K125 WeakPolarHBondContact CA-O 3.34Å
61T98.2Very high96.1Very high16 Ų1645.8 Ų45.810%0.09827%0.266CS..EExtended strand (participates in β ladder)trans-128.3150178.154.30000111V59 E70 V71 F72 K125V59-T61 HydrophobicContact CG1-CG2 4.4Å; T61-E70 VanDerWaalsContact CA-O 3.26Å; T61-E70 WeakPolarHBondContact CA-O 3.47Å; T61-V71 HydrophobicContact CG2-CB 4.4Å; T61-V71 HydrophobicContact CG2-CG2 3.73Å; T61-F72 VanDerWaalsContact N-CE1 3.29Å; T61-F72 WeakPolarHBondContact O-CE1 3.49Å; T61-K125 PolarHBondContact N-O 2.95Å; T61-K125 PolarHBondContact O-N 2.81Å; T61-K125 VanDerWaalsContact OG1-CE 3.22Å; T61-K125 WeakPolarHBondContact OG1-CE 3.36Å; T61-K125 PolarHBondContact OG1-O 3.22Å
62N97.6Very high96.1Very high23 Ų2348.8 Ų48.812%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-69.7141.2170.9-59.8-75.5000109.9K67 G69 E70N62-K67 HydrophobicContact CB-CB 4.29Å; N62-K67 WeakPolarHBondContact CB-O 3.22Å; N62-G69 PolarHBondContact O-N 3.5Å; N62-E70 PolarHBondContact N-O 2.51Å; N62-E70 PolarHBondContact ND2-O 3.24Å
63Y95.9Very high96.1Very high21 Ų2150.9 Ų50.98%0.08229%0.286CS..EExtended strand (participates in β ladder)trans-121.3134.8176.4-172.6-89.8000109.8E16 Y19 H68 I111 T123 K125E16-Y63 WeakPolarHBondContact OE1-CE1 3.23Å; E16-Y63 PolarHBondContact OE1-OH 2.6Å; E16-Y63 VanDerWaalsContact OE1-OH 3.08Å; Y19-Y63 HydrophobicContact CD1-CE2 4.34Å; Y19-Y63 AromaticContact CE1-CE2 3.96Å; Y19-Y63 HydrophobicContact CE1-CE2 3.96Å; Y63-H68 AromaticContact CD2-CE1 3.64Å; Y63-H68 AromaticContact CE2-CE1 3.83Å; Y63-I111 HydrophobicContact CD1-CG2 3.98Å; Y63-I111 HydrophobicContact CD2-CD1 4.16Å; Y63-I111 HydrophobicContact CE1-CD1 4.46Å; Y63-I111 HydrophobicContact CE1-CG2 4.37Å; Y63-I111 HydrophobicContact CE2-CD1 3.87Å; Y63-I111 HydrophobicContact CG-CG2 4.21Å; Y63-T123 HydrophobicContact CD1-CG2 3.79Å; Y63-T123 HydrophobicContact CG-CG2 4.38Å; Y63-T123 PolarHBondContact N-O 3.29Å; Y63-T123 VanDerWaalsContact O-O 3.12Å; Y63-K125 HydrophobicContact CD2-CB 4.21Å; Y63-K125 HydrophobicContact CD2-CD 4.3Å; Y63-K125 HydrophobicContact CG-CB 4.42Å
64G91.5Very high96.2Very high34 Ų3449.8 Ų49.835%0.35128%0.28SS..SBendtrans63176.8-160.700000115.8H68G64-H68 PolarHBondContact N-ND1 3.12Å
65G90.2Very high96.2Very high72 Ų7249.8 Ų49.874%0.74228%0.28SS*.SBendtrans70.2-175.6176.400000115.4K67 H68G65-K67 PolarHBondContact O-N 2.92Å; G65-H68 WeakPolarHBondContact O-CB 3.4Å; G65-H68 PolarHBondContact O-N 2.84Å
66E91.4Very high96.1Very high204 Ų20453.4 Ų53.495%0.95329%0.293SS*.THydrogen-bonded Turntrans-63.8-28.3-177.1-64.6-178.4168.900113.6H68E66-H68 VanDerWaalsContact C-N 3.35Å
67K93.2Very high95.9Very high123 Ų12357.8 Ų57.854%0.53533%0.328SS..THydrogen-bonded Turntrans-94.616.5-177.6-64.4-170.2170-166.70113.5N62 G65 G69 E70N62-K67 HydrophobicContact CB-CB 4.29Å; N62-K67 WeakPolarHBondContact CB-O 3.22Å; G65-K67 PolarHBondContact O-N 2.92Å; K67-G69 PolarHBondContact O-N 3.1Å; K67-E70 HydrophobicContact CB-CB 4.4Å; K67-E70 HydrophobicContact CB-CG 4.24Å; K67-E70 WeakPolarHBondContact CD-OE2 3.24Å; K67-E70 WeakPolarHBondContact CG-OE2 3.3Å; K67-E70 VanDerWaalsContact O-CB 3.3Å; K67-E70 WeakPolarHBondContact O-CB 3.34Å; K67-E70 WeakPolarHBondContact O-CG 3.3Å; K67-E70 PolarHBondContact O-N 3.15Å
68H95.1Very high95.8Very high103 Ų10362 Ų6248%0.47734%0.344SS..THydrogen-bonded Turntrans-50.4127.2-176.3-176.580.1000111.9Y63 G64 G65 E66 E70Y63-H68 AromaticContact CD2-CE1 3.64Å; Y63-H68 AromaticContact CE2-CE1 3.83Å; G64-H68 PolarHBondContact N-ND1 3.12Å; G65-H68 WeakPolarHBondContact O-CB 3.4Å; G65-H68 PolarHBondContact O-N 2.84Å; E66-H68 VanDerWaalsContact C-N 3.35Å; H68-E70 VanDerWaalsContact C-N 3.27Å; H68-E70 PolarHBondContact O-N 3.07Å
69G95.2Very high95.6Very high38 Ų3868.3 Ų68.339%0.39238%0.378SS..THydrogen-bonded Turntrans81.6-9.6179.600000115.3N62 K67 V71N62-G69 PolarHBondContact O-N 3.5Å; K67-G69 PolarHBondContact O-N 3.1Å; G69-V71 PolarHBondContact O-N 2.62Å
70E97.7Very high95.5Very high99 Ų9973 Ų7346%0.46340%0.398SS..  trans-65.3125.4173.7-68-177.7-170.900110.2T61 N62 K67 H68 F72T61-E70 VanDerWaalsContact CA-O 3.26Å; T61-E70 WeakPolarHBondContact CA-O 3.47Å; N62-E70 PolarHBondContact N-O 2.51Å; N62-E70 PolarHBondContact ND2-O 3.24Å; K67-E70 HydrophobicContact CB-CB 4.4Å; K67-E70 HydrophobicContact CB-CG 4.24Å; K67-E70 WeakPolarHBondContact CD-OE2 3.24Å; K67-E70 WeakPolarHBondContact CG-OE2 3.3Å; K67-E70 VanDerWaalsContact O-CB 3.3Å; K67-E70 WeakPolarHBondContact O-CB 3.34Å; K67-E70 WeakPolarHBondContact O-CG 3.3Å; K67-E70 PolarHBondContact O-N 3.15Å; H68-E70 VanDerWaalsContact C-N 3.27Å; H68-E70 PolarHBondContact O-N 3.07Å; E70-F72 PolarHBondContact O-N 2.77Å
71V97.7Very high95.5Very high90 Ų9077.5 Ų77.555%0.54542%0.418SS..EExtended strand (participates in β ladder)trans-68.2123.2172.7177.90000108.8V59 G60 T61 G69V59-V71 HydrophobicContact CG1-CG1 4.17Å; V59-V71 HydrophobicContact CG1-CG2 3.99Å; G60-V71 WeakPolarHBondContact O-CA 3.31Å; T61-V71 HydrophobicContact CG2-CB 4.4Å; T61-V71 HydrophobicContact CG2-CG2 3.73Å; G69-V71 PolarHBondContact O-N 2.62Å
72F95.5Very high95.5Very high78 Ų7880 Ų8034%0.34243%0.427SS..EExtended strand (participates in β ladder)trans-103-23.117367.4-96.8000112.2G60 T61 E70 L124 F126G60-F72 WeakPolarHBondContact O-CD1 3.29Å; G60-F72 PolarHBondContact O-N 3.4Å; T61-F72 VanDerWaalsContact N-CE1 3.29Å; T61-F72 WeakPolarHBondContact O-CE1 3.49Å; E70-F72 PolarHBondContact O-N 2.77Å; F72-L124 HydrophobicContact CD1-CD2 4.34Å; F72-L124 HydrophobicContact CE1-CB 4.28Å; F72-L124 HydrophobicContact CE1-CD1 4.41Å; F72-L124 HydrophobicContact CE1-CD2 3.74Å; F72-L124 HydrophobicContact CE1-CG 4.36Å; F72-L124 HydrophobicContact CZ-CB 4.39Å; F72-L124 HydrophobicContact CZ-CD1 3.97Å; F72-L124 HydrophobicContact CZ-CD2 4.12Å; F72-L124 HydrophobicContact CZ-CG 4.39Å; F72-F126 HydrophobicContact CE2-CE1 4.25Å; F72-F126 HydrophobicContact CZ-CD1 4.49Å; F72-F126 AromaticContact CZ-CE1 3.61Å; F72-F126 HydrophobicContact CZ-CE1 3.61Å; F72-F126 AromaticContact CZ-CZ 3.72Å; F72-F126 HydrophobicContact CZ-CZ 3.72Å
73D96.3Very high95.4Very high45 Ų4584.6 Ų84.624%0.24145%0.448CS..EExtended strand (participates in β ladder)trans-155.6146.7179.8-166.914.5000111.8Y58 G60 R78Y58-D73 HydrophobicContact CE2-CB 4.18Å; Y58-D73 WeakPolarHBondContact CE2-OD2 3.37Å; Y58-D73 VanDerWaalsContact CZ-OD2 3.32Å; Y58-D73 PolarHBondContact OH-OD2 2.84Å; G60-D73 PolarHBondContact N-O 2.78Å; G60-D73 PolarHBondContact O-N 2.92Å; D73-R78 IonicContact OD1-CZ 3.36Å; D73-R78 IonicContact OD1-NH1 2.63Å; D73-R78 PolarHBondContact OD1-NH1 2.76Å; D73-R78 IonicContact OD1-NH2 3.47Å
74S97.5Very high95.5Very high13 Ų1384 Ų849%0.09145%0.446CS..EExtended strand (participates in β ladder)trans-157.5126.4174.6177.80000111.4Y58 R76 A77 R78Y58-S74 WeakPolarHBondContact O-CA 3.35Å; Y58-S74 PolarHBondContact O-OG 3.27Å; S74-R76 VanDerWaalsContact C-N 3.28Å; S74-R76 PolarHBondContact OG-N 2.81Å; S74-A77 PolarHBondContact O-N 2.89Å; S74-A77 PolarHBondContact OG-N 2.85Å; S74-R78 PolarHBondContact O-NH1 2.85Å
75S97.2Very high95.7Very high0 Ų084.1 Ų84.10%044%0.44CS..Hα-helixtrans-73.4-23.7172.569.80000112.5H57 Y58 R78 N79 E80H57-S75 VanDerWaalsContact CA-OG 3.32Å; H57-S75 WeakPolarHBondContact CA-OG 3.32Å; H57-S75 PolarHBondContact ND1-OG 3.15Å; Y58-S75 WeakPolarHBondContact CD1-OG 3.37Å; Y58-S75 PolarHBondContact N-OG 2.69Å; Y58-S75 PolarHBondContact O-N 3Å; Y58-S75 VanDerWaalsContact O-N 3.07Å; S75-R78 PolarHBondContact O-N 2.89Å; S75-N79 PolarHBondContact O-N 3.19Å; S75-N79 VanDerWaalsContact O-N 3.11Å; S75-E80 VanDerWaalsContact CB-O 3.29Å; S75-E80 WeakPolarHBondContact CB-O 3.45Å; S75-E80 PolarHBondContact O-N 3.3Å
76R95.7Very high96.1Very high94 Ų9480.9 Ų80.936%0.35541%0.405SS..Hα-helixtrans-66.9-39.6172.1-58.9-171.5-171.4-77.84.6111.9H57 S74 R78 N79 E127 E129H57-R76 HydrophobicContact CB-CG 4.16Å; S74-R76 VanDerWaalsContact C-N 3.28Å; S74-R76 PolarHBondContact OG-N 2.81Å; R76-R78 PolarHBondContact O-N 3.29Å; R76-N79 PolarHBondContact O-N 3.42Å; R76-E127 IonicContact NH2-OE1 2.61Å; R76-E129 IonicContact CZ-OE2 3.37Å; R76-E129 IonicContact NH1-OE2 3.9Å; R76-E129 PolarHBondContact NH1-OE2 3.33Å; R76-E129 VanDerWaalsContact NH1-OE2 3.14Å; R76-E129 IonicContact NH2-OE2 3.99Å; R76-E129 PolarHBondContact NH2-OE2 2.72Å
77A95.5Very high96.2Very high91 Ų9173 Ų7375%0.75238%0.379SS*.Hα-helixtrans-63.7-28.3175.300000112.6S74S74-A77 PolarHBondContact O-N 2.89Å; S74-A77 PolarHBondContact OG-N 2.85Å
78R95.5Very high96.2Very high112 Ų11272.7 Ų72.742%0.42338%0.383SS..Hα-helixtrans-84-11.5173-65-169.6-65.1-84.37.8114Y58 D73 S74 S75 R76 E80Y58-R78 PolarHBondContact OH-NH2 3.32Å; D73-R78 IonicContact OD1-CZ 3.36Å; D73-R78 IonicContact OD1-NH1 2.63Å; D73-R78 PolarHBondContact OD1-NH1 2.76Å; D73-R78 IonicContact OD1-NH2 3.47Å; S74-R78 PolarHBondContact O-NH1 2.85Å; S75-R78 PolarHBondContact O-N 2.89Å; R76-R78 PolarHBondContact O-N 3.29Å; R78-E80 HydrophobicContact CB-CB 4.41Å; R78-E80 PolarHBondContact O-N 3.21Å
79N94.4Very high96.1Very high147 Ų14770.4 Ų70.479%0.78639%0.388SS*.THydrogen-bonded Turntrans52.836.3-172.1-165.247.5000113.3S75 R76S75-N79 PolarHBondContact O-N 3.19Å; S75-N79 VanDerWaalsContact O-N 3.11Å; R76-N79 PolarHBondContact O-N 3.42Å
80E96.4Very high96Very high129 Ų12972.3 Ų72.360%0.60340%0.395SS*.  trans-137.1130.6-178.4-172.9178.8-166.500108.7H57 S75 R78H57-E80 PolarHBondContact CE1-O 3.3Å; S75-E80 VanDerWaalsContact CB-O 3.29Å; S75-E80 WeakPolarHBondContact CB-O 3.45Å; S75-E80 PolarHBondContact O-N 3.3Å; R78-E80 HydrophobicContact CB-CB 4.41Å; R78-E80 PolarHBondContact O-N 3.21Å
81K97.4Very high96Very high96 Ų9668.9 Ų68.942%0.41738%0.38SS..  trans-72.1149.1174.8-70.8179.9-176.9178.80109.5I55 H57 F131I55-K81 HydrophobicContact CG2-CB 3.68Å; I55-K81 HydrophobicContact CG2-CD 3.59Å; I55-K81 HydrophobicContact CG2-CG 4.22Å; H57-K81 WeakPolarHBondContact NE2-CG 3.35Å; K81-F131 HydrophobicContact CD-CD2 4.05Å; K81-F131 HydrophobicContact CD-CE2 4.39Å; K81-F131 HydrophobicContact CD-CG 4.35Å
82F97.8Very high96Very high69 Ų6965.4 Ų65.430%0.30336%0.359SS..EExtended strand (participates in β ladder)trans-100.8131.6178.1-176.7-108.1000110V56 Y58 F84 V91 W95V56-F82 HydrophobicContact CG2-CB 4.23Å; V56-F82 HydrophobicContact CG2-CD1 4.25Å; V56-F82 PolarHBondContact N-O 3.07Å; V56-F82 PolarHBondContact O-N 2.9Å; Y58-F82 HydrophobicContact CD1-CB 4.22Å; Y58-F82 HydrophobicContact CE1-CB 3.85Å; Y58-F82 HydrophobicContact CE1-CD1 4.34Å; Y58-F82 HydrophobicContact CE1-CG 4.06Å; F82-F84 AromaticContact CD1-CD1 3.83Å; F82-F84 HydrophobicContact CD1-CD1 3.83Å; F82-F84 HydrophobicContact CE1-CB 3.91Å; F82-F84 AromaticContact CE1-CD1 3.69Å; F82-F84 HydrophobicContact CE1-CD1 3.69Å; F82-F84 HydrophobicContact CE1-CG 4.08Å; F82-F84 HydrophobicContact CZ-CB 4.35Å; F82-V91 HydrophobicContact CE1-CG1 3.87Å; F82-V91 HydrophobicContact CZ-CG1 4.2Å; F82-W95 HydrophobicContact CD1-CH2 4.4Å; F82-W95 AromaticContact CD1-CZ3 3.79Å; F82-W95 HydrophobicContact CD1-CZ3 3.79Å; F82-W95 HydrophobicContact CE1-CZ3 4.01Å
83E96.7Very high96.1Very high118 Ų11867.5 Ų67.555%0.55137%0.368SS*.EExtended strand (participates in β ladder)trans-114.3134.2179.4-58.3-171179.500110.3V54 I55V54-E83 WeakPolarHBondContact O-CA 3.35Å; I55-E83 HydrophobicContact CG1-CG 4.05Å; I55-E83 HydrophobicContact CG2-CG 4.25Å
84F97.2Very high96.2Very high9 Ų965.3 Ų65.34%0.03936%0.356CS..EExtended strand (participates in β ladder)trans-152.7162.1172.572.2-80.8000111T53 V54 V56 F82 I86 V91 W95 V99T53-F84 WeakPolarHBondContact CA-O 3.06Å; V54-F84 HydrophobicContact CG2-CD1 3.58Å; V54-F84 HydrophobicContact CG2-CD2 4.23Å; V54-F84 HydrophobicContact CG2-CE1 3.22Å; V54-F84 HydrophobicContact CG2-CE2 3.94Å; V54-F84 HydrophobicContact CG2-CG 4.07Å; V54-F84 HydrophobicContact CG2-CZ 3.43Å; V54-F84 VanDerWaalsContact CG2-CZ 3.43Å; V54-F84 WeakPolarHBondContact CG2-O 3.42Å; V54-F84 PolarHBondContact N-O 2.92Å; V54-F84 PolarHBondContact O-N 2.92Å; V56-F84 HydrophobicContact CG1-CE1 4.37Å; V56-F84 HydrophobicContact CG2-CE1 4.14Å; F82-F84 AromaticContact CD1-CD1 3.83Å; F82-F84 HydrophobicContact CD1-CD1 3.83Å; F82-F84 HydrophobicContact CE1-CB 3.91Å; F82-F84 AromaticContact CE1-CD1 3.69Å; F82-F84 HydrophobicContact CE1-CD1 3.69Å; F82-F84 HydrophobicContact CE1-CG 4.08Å; F82-F84 HydrophobicContact CZ-CB 4.35Å; F84-I86 HydrophobicContact CE2-CD1 3.63Å; F84-I86 HydrophobicContact CZ-CD1 3.94Å; F84-V91 HydrophobicContact CB-CG1 3.77Å; F84-V91 HydrophobicContact CD1-CG1 4.23Å; F84-V91 HydrophobicContact CD2-CB 4.25Å; F84-V91 HydrophobicContact CD2-CG1 3.61Å; F84-V91 HydrophobicContact CD2-CG2 3.57Å; F84-V91 HydrophobicContact CE2-CG1 4.21Å; F84-V91 HydrophobicContact CE2-CG2 3.57Å; F84-V91 HydrophobicContact CG-CG1 3.61Å; F84-V91 HydrophobicContact CG-CG2 4.42Å; F84-V91 HydrophobicContact CZ-CG2 4.42Å; F84-W95 HydrophobicContact CD1-CE3 4.17Å; F84-W95 HydrophobicContact CD1-CZ3 4.16Å; F84-W95 AromaticContact CE1-CE3 3.51Å; F84-W95 HydrophobicContact CE1-CE3 3.51Å; F84-W95 AromaticContact CE1-CZ3 3.66Å; F84-W95 HydrophobicContact CE1-CZ3 3.66Å; F84-W95 HydrophobicContact CE2-CE3 4.48Å; F84-W95 AromaticContact CZ-CE3 3.7Å; F84-W95 HydrophobicContact CZ-CE3 3.7Å; F84-W95 HydrophobicContact CZ-CZ3 4.3Å; F84-V99 HydrophobicContact CE1-CG1 4.44Å; F84-V99 HydrophobicContact CZ-CB 3.92Å; F84-V99 HydrophobicContact CZ-CG1 3.91Å; F84-V99 HydrophobicContact CZ-CG2 3.94Å
85T96.9Very high96.2Very high36 Ų3665.1 Ų65.122%0.22135%0.353CS..EExtended strand (participates in β ladder)trans-100.1126.3178-50.50000110.7G51 D52 N88G51-T85 WeakPolarHBondContact O-CG2 3.4Å; D52-T85 WeakPolarHBondContact O-CA 3.43Å; T85-N88 WeakPolarHBondContact CG2-ND2 3.5Å
86I97.3Very high96.2Very high4 Ų466.2 Ų66.22%0.02136%0.359CS..THydrogen-bonded Turntrans-64.4132.4179.3-62.1-71.6000110.5P48 G51 D52 V54 F84 N88 V99 A100P48-I86 HydrophobicContact CB-CD1 4.43Å; P48-I86 HydrophobicContact CB-CG1 3.9Å; G51-I86 PolarHBondContact N-O 2.89Å; D52-I86 PolarHBondContact O-N 2.84Å; V54-I86 HydrophobicContact CG1-CD1 4.15Å; V54-I86 HydrophobicContact CG1-CG1 3.82Å; V54-I86 HydrophobicContact CG2-CD1 4.12Å; V54-I86 HydrophobicContact CG2-CG1 4.33Å; F84-I86 HydrophobicContact CE2-CD1 3.63Å; F84-I86 HydrophobicContact CZ-CD1 3.94Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 2.99Å; I86-V99 HydrophobicContact CD1-CB 4.11Å; I86-V99 HydrophobicContact CD1-CG1 4.1Å; I86-A100 HydrophobicContact CD1-CB 4.49Å; I86-A100 HydrophobicContact CG2-CB 3.92Å
87G93.8Very high96.3Very high39 Ų3964 Ų6440%0.40236%0.356SS..THydrogen-bonded Turntrans85.6-4.7170.200000115D96G87-D96 PolarHBondContact N-OD1 2.9Å
88N92.8Very high96.5Very high117 Ų11759.7 Ų59.763%0.62632%0.32SS*.SBendtrans-85.8-5179.2-80-7.6000113.7T85 I86 S90T85-N88 WeakPolarHBondContact CG2-ND2 3.5Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 2.99Å; N88-S90 VanDerWaalsContact C-N 3.25Å; N88-S90 PolarHBondContact O-N 2.79Å
89G93.8Very high96.6Very high55 Ų5554.4 Ų54.457%0.56730%0.3SS*.SBendtrans68.722.1-178.600000114.1D96G89-D96 WeakPolarHBondContact CA-OD2 3.48Å; G89-D96 PolarHBondContact N-OD2 2.8Å
90S94.1Very high96.7Very high78 Ų7848.8 Ų48.855%0.54527%0.274SS..SBendtrans-75.9-15.8174.457.20000112.8N88N88-S90 VanDerWaalsContact C-N 3.25Å; N88-S90 PolarHBondContact O-N 2.79Å
91V97.1Very high96.8Very high26 Ų2644.4 Ų44.416%0.15826%0.257CS..SBendtrans-123.7174.1176.9-64.60000110.1F82 F84 W95F82-V91 HydrophobicContact CE1-CG1 3.87Å; F82-V91 HydrophobicContact CZ-CG1 4.2Å; F84-V91 HydrophobicContact CB-CG1 3.77Å; F84-V91 HydrophobicContact CD1-CG1 4.23Å; F84-V91 HydrophobicContact CD2-CB 4.25Å; F84-V91 HydrophobicContact CD2-CG1 3.61Å; F84-V91 HydrophobicContact CD2-CG2 3.57Å; F84-V91 HydrophobicContact CE2-CG1 4.21Å; F84-V91 HydrophobicContact CE2-CG2 3.57Å; F84-V91 HydrophobicContact CG-CG1 3.61Å; F84-V91 HydrophobicContact CG-CG2 4.42Å; F84-V91 HydrophobicContact CZ-CG2 4.42Å; V91-W95 HydrophobicContact CB-CB 4.05Å; V91-W95 HydrophobicContact CG1-CE3 4.36Å; V91-W95 HydrophobicContact CG2-CB 3.62Å
92I97.4Very high96.8Very high18 Ų1839.9 Ų39.99%0.09224%0.237CC..  trans-60.9149.6173.661171.5000111.1A94 W95 D96 A112 A117 Y118 F126I92-A94 HydrophobicContact CD1-CB 4.24Å; I92-A94 HydrophobicContact CG1-CB 4.46Å; I92-A94 PolarHBondContact O-N 3.24Å; I92-A94 VanDerWaalsContact O-N 3.15Å; I92-W95 HydrophobicContact CD1-CG 4.42Å; I92-W95 HydrophobicContact CG1-CB 4.08Å; I92-W95 VanDerWaalsContact CG1-CD1 3.5Å; I92-W95 HydrophobicContact CG1-CG 3.87Å; I92-W95 WeakPolarHBondContact O-CB 3.29Å; I92-W95 PolarHBondContact O-N 3.37Å; I92-D96 PolarHBondContact O-N 3.35Å; I92-A112 HydrophobicContact CD1-CB 4.44Å; I92-A117 HydrophobicContact CD1-CB 4.31Å; I92-Y118 HydrophobicContact CG2-CD1 3.78Å; I92-Y118 HydrophobicContact CG2-CE1 3.52Å; I92-F126 HydrophobicContact CD1-CE2 3.58Å; I92-F126 HydrophobicContact CD1-CZ 3.76Å
93K97.4Very high96.8Very high121 Ų12139 Ų3953%0.52623%0.233SC..Hα-helixtrans-56.3-36.4-176.6-68-177.9176.7-177.60113.1W95 D96 V97 Y116K93-W95 PolarHBondContact O-N 3.32Å; K93-D96 PolarHBondContact O-N 2.91Å; K93-V97 WeakPolarHBondContact O-CG2 3.39Å; K93-V97 PolarHBondContact O-N 3.4Å; K93-V97 VanDerWaalsContact O-N 3.09Å; K93-Y116 HydrophobicContact CB-CD1 4.12Å; K93-Y116 HydrophobicContact CD-CD1 4.37Å; K93-Y116 PolarHBondContact N-O 3.42Å
94A98.1Very high96.7Very high0 Ų034.6 Ų34.60%021%0.213CC..Hα-helixtrans-58.9-32.1176.900000113I34 I92 G98 A112 Y116I34-A94 HydrophobicContact CG1-CB 4.19Å; I34-A94 HydrophobicContact CG2-CB 4.19Å; I92-A94 HydrophobicContact CD1-CB 4.24Å; I92-A94 HydrophobicContact CG1-CB 4.46Å; I92-A94 PolarHBondContact O-N 3.24Å; I92-A94 VanDerWaalsContact O-N 3.15Å; A94-G98 WeakPolarHBondContact O-CA 3.41Å; A94-G98 PolarHBondContact O-N 3.25Å; A94-A112 HydrophobicContact CB-CB 3.36Å; A94-Y116 WeakPolarHBondContact CB-O 3.26Å; A94-Y116 PolarHBondContact N-O 2.92Å
95W98.1Very high96.7Very high9 Ų934.5 Ų34.53%0.03421%0.214CC..Hα-helixtrans-77.7-45.9177.4-84.544.4000112.2V56 Y58 F82 F84 V91 I92 K93 V97 G98 V99 F126 V128V56-W95 HydrophobicContact CG2-CH2 4.16Å; V56-W95 HydrophobicContact CG2-CZ3 3.84Å; Y58-W95 AromaticContact CD1-CH2 3.44Å; Y58-W95 HydrophobicContact CD1-CH2 3.44Å; Y58-W95 VanDerWaalsContact CD1-CH2 3.44Å; Y58-W95 HydrophobicContact CD1-CZ2 4.15Å; Y58-W95 HydrophobicContact CD1-CZ3 4.43Å; Y58-W95 HydrophobicContact CD2-CH2 4.08Å; Y58-W95 AromaticContact CD2-CZ2 3.93Å; Y58-W95 HydrophobicContact CD2-CZ2 3.93Å; Y58-W95 AromaticContact CE1-CH2 3.96Å; Y58-W95 HydrophobicContact CE1-CH2 3.96Å; Y58-W95 AromaticContact CG-CH2 3.48Å; Y58-W95 HydrophobicContact CG-CH2 3.48Å; Y58-W95 VanDerWaalsContact CG-CH2 3.48Å; Y58-W95 AromaticContact CG-CZ2 3.72Å; Y58-W95 HydrophobicContact CG-CZ2 3.72Å; F82-W95 HydrophobicContact CD1-CH2 4.4Å; F82-W95 AromaticContact CD1-CZ3 3.79Å; F82-W95 HydrophobicContact CD1-CZ3 3.79Å; F82-W95 HydrophobicContact CE1-CZ3 4.01Å; F84-W95 HydrophobicContact CD1-CE3 4.17Å; F84-W95 HydrophobicContact CD1-CZ3 4.16Å; F84-W95 AromaticContact CE1-CE3 3.51Å; F84-W95 HydrophobicContact CE1-CE3 3.51Å; F84-W95 AromaticContact CE1-CZ3 3.66Å; F84-W95 HydrophobicContact CE1-CZ3 3.66Å; F84-W95 HydrophobicContact CE2-CE3 4.48Å; F84-W95 AromaticContact CZ-CE3 3.7Å; F84-W95 HydrophobicContact CZ-CE3 3.7Å; F84-W95 HydrophobicContact CZ-CZ3 4.3Å; V91-W95 HydrophobicContact CB-CB 4.05Å; V91-W95 HydrophobicContact CG1-CE3 4.36Å; V91-W95 HydrophobicContact CG2-CB 3.62Å; I92-W95 HydrophobicContact CD1-CG 4.42Å; I92-W95 HydrophobicContact CG1-CB 4.08Å; I92-W95 VanDerWaalsContact CG1-CD1 3.5Å; I92-W95 HydrophobicContact CG1-CG 3.87Å; I92-W95 WeakPolarHBondContact O-CB 3.29Å; I92-W95 PolarHBondContact O-N 3.37Å; K93-W95 PolarHBondContact O-N 3.32Å; W95-V97 PolarHBondContact O-N 2.8Å; W95-G98 PolarHBondContact O-N 3.09Å; W95-V99 HydrophobicContact CB-CG2 4.44Å; W95-V99 HydrophobicContact CD2-CG2 4.48Å; W95-V99 HydrophobicContact CE3-CG2 4.4Å; W95-V99 VanDerWaalsContact O-CB 3.27Å; W95-V99 WeakPolarHBondContact O-CB 3.32Å; W95-V99 WeakPolarHBondContact O-CG2 3.43Å; W95-V99 PolarHBondContact O-N 2.82Å; W95-F126 AromaticContact CZ2-CD1 3.79Å; W95-F126 HydrophobicContact CZ2-CD1 3.79Å; W95-F126 HydrophobicContact CZ2-CE1 4.21Å; W95-F126 HydrophobicContact CZ2-CG 4.28Å; W95-F126 AromaticContact NE1-CD1 3.61Å; W95-F126 AromaticContact NE1-CD2 3.57Å; W95-F126 AromaticContact NE1-CE1 3.8Å; W95-F126 AromaticContact NE1-CE2 3.78Å; W95-F126 AromaticContact NE1-CG 3.47Å; W95-F126 AromaticContact NE1-CZ 3.88Å; W95-V128 HydrophobicContact CZ2-CG2 4.04Å
96D97.7Very high96.8Very high23 Ų2333 Ų3312%0.12321%0.205CC..Hα-helixtrans-54.6-40.5175.7-89.1-30.9000111.5G87 G89 I92 K93 A100G87-D96 PolarHBondContact N-OD1 2.9Å; G89-D96 WeakPolarHBondContact CA-OD2 3.48Å; G89-D96 PolarHBondContact N-OD2 2.8Å; I92-D96 PolarHBondContact O-N 3.35Å; K93-D96 PolarHBondContact O-N 2.91Å; D96-A100 VanDerWaalsContact O-CB 3.26Å; D96-A100 WeakPolarHBondContact O-CB 3.36Å
97V97.7Very high96.9Very high48 Ų4833.8 Ų33.829%0.29121%0.209SC..Hα-helixtrans-80.7-51178.1177.30000111.7L26 I34 K93 W95L26-V97 HydrophobicContact CB-CG1 3.95Å; L26-V97 WeakPolarHBondContact O-CG1 3.46Å; I34-V97 HydrophobicContact CD1-CB 3.86Å; I34-V97 HydrophobicContact CD1-CG1 4.03Å; I34-V97 HydrophobicContact CD1-CG2 4Å; K93-V97 WeakPolarHBondContact O-CG2 3.39Å; K93-V97 PolarHBondContact O-N 3.4Å; K93-V97 VanDerWaalsContact O-N 3.09Å; W95-V97 PolarHBondContact O-N 2.8Å
98G98Very high97.1Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-66.3-49-172.600000113A94 W95 A100 T101A94-G98 WeakPolarHBondContact O-CA 3.41Å; A94-G98 PolarHBondContact O-N 3.25Å; W95-G98 PolarHBondContact O-N 3.09Å; G98-A100 VanDerWaalsContact C-N 3.32Å; G98-A100 PolarHBondContact O-N 3.28Å; G98-T101 PolarHBondContact O-N 2.66Å; G98-T101 VanDerWaalsContact O-N 3.11Å; G98-T101 PolarHBondContact O-OG1 3.27Å
99V98.3Very high97.4Very high0 Ų027.3 Ų27.30%016%0.164CC..Hα-helixtrans-68.9-31.8-177.6-1780000111.4V54 V56 F84 I86 W95 T101 M102 L110 V128V54-V99 HydrophobicContact CG2-CG1 4.15Å; V56-V99 HydrophobicContact CG1-CG1 4.33Å; F84-V99 HydrophobicContact CE1-CG1 4.44Å; F84-V99 HydrophobicContact CZ-CB 3.92Å; F84-V99 HydrophobicContact CZ-CG1 3.91Å; F84-V99 HydrophobicContact CZ-CG2 3.94Å; I86-V99 HydrophobicContact CD1-CB 4.11Å; I86-V99 HydrophobicContact CD1-CG1 4.1Å; W95-V99 HydrophobicContact CB-CG2 4.44Å; W95-V99 HydrophobicContact CD2-CG2 4.48Å; W95-V99 HydrophobicContact CE3-CG2 4.4Å; W95-V99 VanDerWaalsContact O-CB 3.27Å; W95-V99 WeakPolarHBondContact O-CB 3.32Å; W95-V99 WeakPolarHBondContact O-CG2 3.43Å; W95-V99 PolarHBondContact O-N 2.82Å; V99-T101 PolarHBondContact O-N 3.11Å; V99-T101 VanDerWaalsContact O-N 3.12Å; V99-M102 HydrophobicContact CB-SD 4.28Å; V99-M102 HydrophobicContact CG1-SD 4.06Å; V99-M102 HydrophobicContact CG2-SD 4.19Å; V99-M102 WeakPolarHBondContact O-CB 3.29Å; V99-M102 PolarHBondContact O-N 3.11Å; V99-L110 HydrophobicContact CG2-CD1 4.25Å; V99-V128 HydrophobicContact CG2-CG1 4.27Å
100A97.2Very high97.6Very high29 Ų2924.7 Ų24.724%0.2414%0.137CC..Hα-helixtrans-61.6-19.3173.400000113.7I86 D96 G98I86-A100 HydrophobicContact CD1-CB 4.49Å; I86-A100 HydrophobicContact CG2-CB 3.92Å; D96-A100 VanDerWaalsContact O-CB 3.26Å; D96-A100 WeakPolarHBondContact O-CB 3.36Å; G98-A100 VanDerWaalsContact C-N 3.32Å; G98-A100 PolarHBondContact O-N 3.28Å
101T97.4Very high97.8Very high38 Ų3821.4 Ų21.423%0.23311%0.113CC..THydrogen-bonded Turntrans-89-11.9175.570.70000113.9L26 K36 G98 V99L26-T101 HydrophobicContact CD1-CG2 3.95Å; L26-T101 HydrophobicContact CD2-CG2 4.16Å; K36-T101 VanDerWaalsContact CD-OG1 3.26Å; K36-T101 WeakPolarHBondContact CD-OG1 3.26Å; K36-T101 PolarHBondContact NZ-O 3.43Å; K36-T101 PolarHBondContact NZ-OG1 3.29Å; G98-T101 PolarHBondContact O-N 2.66Å; G98-T101 VanDerWaalsContact O-N 3.11Å; G98-T101 PolarHBondContact O-OG1 3.27Å; V99-T101 PolarHBondContact O-N 3.11Å; V99-T101 VanDerWaalsContact O-N 3.12Å
102M98.3Very high97.8Very high0 Ų020.1 Ų20.10%011%0.106CC..PPolyproline II helixtrans-74.3145.3-175.3-65.3178.572.800112K47 P48 V99 E106 C108 V128 L130K47-M102 WeakPolarHBondContact CA-O 3.32Å; K47-M102 WeakPolarHBondContact CG-O 3.46Å; P48-M102 WeakPolarHBondContact CD-O 3.39Å; V99-M102 HydrophobicContact CB-SD 4.28Å; V99-M102 HydrophobicContact CG1-SD 4.06Å; V99-M102 HydrophobicContact CG2-SD 4.19Å; V99-M102 WeakPolarHBondContact O-CB 3.29Å; V99-M102 PolarHBondContact O-N 3.11Å; M102-E106 WeakPolarHBondContact CA-OE2 3.27Å; M102-E106 HydrophobicContact CB-CB 4.41Å; M102-E106 HydrophobicContact CE-CB 4.11Å; M102-E106 HydrophobicContact CE-CG 4.36Å; M102-E106 WeakPolarHBondContact CE-O 3.28Å; M102-C108 HydrophobicContact CE-CB 4.35Å; M102-V128 HydrophobicContact CE-CB 4.38Å; M102-V128 HydrophobicContact CE-CG1 4.25Å; M102-V128 VanDerWaalsContact CE-O 3.3Å; M102-V128 WeakPolarHBondContact CE-O 3.46Å; M102-V128 HydrophobicContact SD-CB 4.29Å; M102-V128 HydrophobicContact SD-CG1 3.99Å; M102-L130 HydrophobicContact CB-CB 4.34Å; M102-L130 HydrophobicContact CB-CD2 3.79Å; M102-L130 HydrophobicContact CE-CB 3.69Å; M102-L130 HydrophobicContact SD-CB 4.26Å
103K97.4Very high97.9Very high50 Ų5020.6 Ų20.622%0.21711%0.111CC..PPolyproline II helixtrans-87.1153.2168.3-72.1-175.1-173.7-168.40111.3S44 D45 K47 G105 E106S44-K103 VanDerWaalsContact O-CB 3.24Å; S44-K103 WeakPolarHBondContact O-CB 3.47Å; S44-K103 WeakPolarHBondContact O-CG 3.28Å; D45-K103 WeakPolarHBondContact OD1-CE 3.35Å; D45-K103 IonicContact OD1-NZ 3.98Å; D45-K103 PolarHBondContact OD1-NZ 3.01Å; K47-K103 HydrophobicContact CG-CG 4.39Å; K103-G105 PolarHBondContact O-N 2.71Å; K103-E106 HydrophobicContact CB-CB 4.29Å; K103-E106 PolarHBondContact N-OE2 2.83Å; K103-E106 WeakPolarHBondContact O-CB 3.3Å; K103-E106 PolarHBondContact O-N 2.91Å
104L95.8Very high97.8Very high27 Ų2716.2 Ų16.214%0.14110%0.095CC..THydrogen-bonded Turntrans-56.9129.5173.6-72.7176.8000111.4G42 Y43 V46 E106 L130 T133G42-L104 CarbonylContact C-O 3.54Å; G42-L104 WeakPolarHBondContact CA-O 3.16Å; Y43-L104 HydrophobicContact CE2-CB 4.07Å; Y43-L104 PolarHBondContact N-O 2.91Å; V46-L104 HydrophobicContact CB-CD1 4.04Å; V46-L104 HydrophobicContact CB-CG 4.37Å; V46-L104 HydrophobicContact CG1-CD1 4.08Å; V46-L104 HydrophobicContact CG1-CG 4.38Å; V46-L104 PolarHBondContact O-N 3.36Å; L104-E106 VanDerWaalsContact C-N 3.29Å; L104-L130 HydrophobicContact CD2-CD2 4.39Å; L104-L130 HydrophobicContact CD2-CG 4.3Å; L104-T133 HydrophobicContact CD2-CG2 4.01Å; L104-T133 HydrophobicContact CG-CG2 4.39Å
105G96.9Very high97.8Very high6 Ų621.3 Ų21.36%0.06212%0.122CC..THydrogen-bonded Turntrans83.9-6.4-17600000115.3R40 K103 L130R40-G105 PolarHBondContact NE-O 3.37Å; R40-G105 PolarHBondContact NH2-O 3.14Å; K103-G105 PolarHBondContact O-N 2.71Å; G105-L130 VanDerWaalsContact CA-O 3.25Å; G105-L130 WeakPolarHBondContact CA-O 3.35Å; G105-L130 PolarHBondContact N-O 2.66Å
106E98.6Very high97.7Very high5 Ų522.1 Ų22.12%0.02313%0.125CC..  trans-64.3139.7179.8-170.3-175.8125.700110.7K36 V38 R40 M102 K103 L104 E129 L130K36-E106 WeakPolarHBondContact CE-OE1 3.43Å; K36-E106 IonicContact NZ-OE1 2.65Å; K36-E106 PolarHBondContact NZ-OE1 2.87Å; K36-E106 IonicContact NZ-OE2 3.82Å; V38-E106 HydrophobicContact CG1-CG 3.88Å; R40-E106 VanDerWaalsContact O-CA 3.29Å; R40-E106 WeakPolarHBondContact O-CA 3.41Å; R40-E106 VanDerWaalsContact O-CG 3.3Å; R40-E106 WeakPolarHBondContact O-CG 3.18Å; M102-E106 WeakPolarHBondContact CA-OE2 3.27Å; M102-E106 HydrophobicContact CB-CB 4.41Å; M102-E106 HydrophobicContact CE-CB 4.11Å; M102-E106 HydrophobicContact CE-CG 4.36Å; M102-E106 WeakPolarHBondContact CE-O 3.28Å; K103-E106 HydrophobicContact CB-CB 4.29Å; K103-E106 PolarHBondContact N-OE2 2.83Å; K103-E106 WeakPolarHBondContact O-CB 3.3Å; K103-E106 PolarHBondContact O-N 2.91Å; L104-E106 VanDerWaalsContact C-N 3.29Å; E106-E129 WeakPolarHBondContact O-CA 3.47Å; E106-L130 PolarHBondContact O-N 3.3Å
107I98.6Very high97.7Very high21 Ų2121.7 Ų21.711%0.10813%0.125CC..EExtended strand (participates in β ladder)trans-110.2125.8162.2-55.4179.7000107L39 R40 E127 V128 E129L39-I107 WeakPolarHBondContact CA-O 3.47Å; L39-I107 HydrophobicContact CB-CB 4.45Å; L39-I107 HydrophobicContact CB-CG2 4.24Å; L39-I107 WeakPolarHBondContact CB-O 3.37Å; L39-I107 HydrophobicContact CD1-CG2 4.18Å; L39-I107 PolarHBondContact N-O 3.02Å; R40-I107 HydrophobicContact CB-CB 4Å; R40-I107 HydrophobicContact CB-CD1 4.42Å; R40-I107 HydrophobicContact CB-CG1 4.2Å; R40-I107 PolarHBondContact N-O 2.93Å; R40-I107 PolarHBondContact O-N 2.97Å; I107-E127 HydrophobicContact CG2-CG 3.78Å; I107-V128 CarbonylContact C-O 3.51Å; I107-V128 VanDerWaalsContact CA-O 3.28Å; I107-V128 WeakPolarHBondContact CA-O 3.46Å; I107-E129 HydrophobicContact CD1-CG 4.35Å; I107-E129 HydrophobicContact CG1-CB 3.97Å; I107-E129 HydrophobicContact CG1-CG 3.85Å
108C98.5Very high97.5Very high0 Ų025.6 Ų25.60%014%0.135CC..EExtended strand (participates in β ladder)trans-128.5157.3175.777.90000111.8K36 K37 M102 E127 V128K36-C108 HydrophobicContact CG-CB 4.19Å; K37-C108 CarbonylContact O-C 3.6Å; K37-C108 VanDerWaalsContact O-CA 3.29Å; K37-C108 WeakPolarHBondContact O-CA 3.32Å; K37-C108 WeakPolarHBondContact O-CB 2.95Å; M102-C108 HydrophobicContact CE-CB 4.35Å; C108-E127 CarbonylContact O-C 3.54Å; C108-E127 WeakPolarHBondContact O-CA 3.34Å; C108-V128 PolarHBondContact N-O 3.31Å; C108-V128 PolarHBondContact O-N 3.18Å
109E98.5Very high97.3Very high19 Ų1932.6 Ų32.69%0.08917%0.165CC..EExtended strand (participates in β ladder)trans-98.4129.1164.2-171.1173.713700109.1Y19 F23 K36 K37 L39 K125 F126Y19-E109 PolarHBondContact OH-OE1 2.94Å; Y19-E109 PolarHBondContact OH-OE2 3Å; F23-E109 HydrophobicContact CE1-CB 4.1Å; F23-E109 HydrophobicContact CE1-CG 3.97Å; F23-E109 HydrophobicContact CZ-CB 4.33Å; F23-E109 HydrophobicContact CZ-CG 4.12Å; F23-E109 VanDerWaalsContact CZ-OE1 3.24Å; F23-E109 WeakPolarHBondContact CZ-OE1 3.04Å; K36-E109 CarbonylContact C-O 3.58Å; K36-E109 VanDerWaalsContact CA-O 3.29Å; K36-E109 WeakPolarHBondContact CA-O 3.3Å; K37-E109 PolarHBondContact N-O 2.81Å; K37-E109 PolarHBondContact O-N 3.23Å; L39-E109 HydrophobicContact CD1-CB 4.28Å; L39-E109 HydrophobicContact CD2-CB 4.41Å; L39-E109 HydrophobicContact CG-CB 4.34Å; E109-K125 HydrophobicContact CG-CD 3.86Å; E109-K125 HydrophobicContact CG-CG 3.81Å; E109-K125 WeakPolarHBondContact OE1-CD 3.25Å; E109-F126 CarbonylContact C-O 3.57Å; E109-F126 VanDerWaalsContact CA-O 3.3Å; E109-F126 WeakPolarHBondContact CA-O 3.44Å
110L98.4Very high97.1Very high0 Ų036.1 Ų36.10%018%0.184CC..EExtended strand (participates in β ladder)trans-118.2121.7174.3-70.7174.2000110L35 K36 V99 K125 F126 V128L35-L110 CarbonylContact O-C 3.45Å; L35-L110 VanDerWaalsContact O-CA 3.31Å; L35-L110 WeakPolarHBondContact O-CA 3.29Å; K36-L110 HydrophobicContact CB-CD2 3.65Å; K36-L110 HydrophobicContact CD-CD2 4.17Å; K36-L110 HydrophobicContact CG-CD2 3.71Å; V99-L110 HydrophobicContact CG2-CD1 4.25Å; L110-K125 CarbonylContact O-C 3.59Å; L110-K125 WeakPolarHBondContact O-CA 3.46Å; L110-F126 HydrophobicContact CB-CB 4.41Å; L110-F126 PolarHBondContact N-O 3.26Å; L110-F126 PolarHBondContact O-N 2.95Å; L110-V128 HydrophobicContact CD1-CG2 4.22Å
111I98.3Very high96.9Very high9 Ų937.8 Ų37.85%0.04620%0.204CC..EExtended strand (participates in β ladder)trans-106123.7171-57.4171.7000108Y19 L20 F23 I34 L35 Y63 T123 L124 K125Y19-I111 HydrophobicContact CE1-CD1 4.15Å; L20-I111 HydrophobicContact CD2-CD1 3.49Å; L20-I111 VanDerWaalsContact CD2-CD1 3.49Å; F23-I111 HydrophobicContact CD1-CD1 4.29Å; F23-I111 HydrophobicContact CE1-CD1 3.74Å; F23-I111 HydrophobicContact CE1-CG1 4.06Å; F23-I111 HydrophobicContact CZ-CD1 3.95Å; I34-I111 WeakPolarHBondContact CA-O 3.48Å; L35-I111 HydrophobicContact CB-CB 4.19Å; L35-I111 PolarHBondContact N-O 2.83Å; L35-I111 PolarHBondContact O-N 2.67Å; Y63-I111 HydrophobicContact CD1-CG2 3.98Å; Y63-I111 HydrophobicContact CD2-CD1 4.16Å; Y63-I111 HydrophobicContact CE1-CD1 4.46Å; Y63-I111 HydrophobicContact CE1-CG2 4.37Å; Y63-I111 HydrophobicContact CE2-CD1 3.87Å; Y63-I111 HydrophobicContact CG-CG2 4.21Å; I111-T123 HydrophobicContact CG2-CG2 3.6Å; I111-L124 CarbonylContact C-O 3.56Å; I111-L124 WeakPolarHBondContact CA-O 3.36Å; I111-K125 HydrophobicContact CG1-CB 4.21Å; I111-K125 HydrophobicContact CG1-CG 4.17Å
112A98.2Very high96.8Very high0 Ų041 Ų410%022%0.215CC..EExtended strand (participates in β ladder)trans-117.4118.8-175.700000109.8I92 A94 A117 T123 L124I92-A112 HydrophobicContact CD1-CB 4.44Å; A94-A112 HydrophobicContact CB-CB 3.36Å; A112-A117 HydrophobicContact CB-CB 4.16Å; A112-T123 WeakPolarHBondContact O-CA 3.32Å; A112-T123 WeakPolarHBondContact O-CG2 3.05Å; A112-L124 PolarHBondContact N-O 3.21Å; A112-L124 PolarHBondContact O-N 2.88Å
113S97.5Very high96.7Very high27 Ų2743.1 Ų43.119%0.18923%0.228CC..  trans-67.6163.5170.683.80000110.8G33 D115 Y116 A117G33-S113 PolarHBondContact O-N 2.92Å; S113-D115 PolarHBondContact O-N 3.01Å; S113-D115 VanDerWaalsContact O-N 3.12Å; S113-Y116 CarbonylContact O-C 3.56Å; S113-Y116 PolarHBondContact O-N 3.12Å; S113-Y116 WeakPolarHBondContact OG-CD2 3.45Å; S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.9Å
114P96.8Very high96.7Very high29 Ų2941 Ų4119%0.18822%0.219CC..G310 helixtrans-53.4-37.7-177-25.933000113.7Y116 A117 K119 G121P114-Y116 PolarHBondContact O-N 3.47Å; P114-A117 CarbonylContact O-C 3.37Å; P114-A117 PolarHBondContact O-N 2.83Å; P114-K119 VanDerWaalsContact O-CA 3.22Å; P114-K119 WeakPolarHBondContact O-CA 3.25Å; P114-K119 PolarHBondContact O-N 2.89Å; P114-G121 VanDerWaalsContact CG-C 3.44Å
115D97Very high96.9Very high107 Ų10741.7 Ų41.757%0.57222%0.221SC*.G310 helixtrans-67.7-22.7-178.3-71.3-34.4000113.8S113S113-D115 PolarHBondContact O-N 3.01Å; S113-D115 VanDerWaalsContact O-N 3.12Å
116Y97.4Very high96.9Very high26 Ų2641.5 Ų41.510%0.10222%0.219CC..G310 helixtrans-105.8-0.2175.9-61.6-79.8000113.7S29 D31 G33 I34 K93 A94 S113 P114S29-Y116 PolarHBondContact OG-OH 2.76Å; D31-Y116 WeakPolarHBondContact OD1-CE2 3.32Å; D31-Y116 PolarHBondContact OD2-OH 3.44Å; G33-Y116 WeakPolarHBondContact O-CD2 3.4Å; I34-Y116 HydrophobicContact CD1-CD1 3.54Å; I34-Y116 HydrophobicContact CD1-CE1 4.01Å; I34-Y116 HydrophobicContact CD1-CG 3.94Å; I34-Y116 HydrophobicContact CG1-CD1 3.7Å; I34-Y116 HydrophobicContact CG1-CD2 4.01Å; I34-Y116 HydrophobicContact CG1-CE1 4.28Å; I34-Y116 HydrophobicContact CG1-CG 3.54Å; K93-Y116 HydrophobicContact CB-CD1 4.12Å; K93-Y116 HydrophobicContact CD-CD1 4.37Å; K93-Y116 PolarHBondContact N-O 3.42Å; A94-Y116 WeakPolarHBondContact CB-O 3.26Å; A94-Y116 PolarHBondContact N-O 2.92Å; S113-Y116 CarbonylContact O-C 3.56Å; S113-Y116 PolarHBondContact O-N 3.12Å; S113-Y116 WeakPolarHBondContact OG-CD2 3.45Å; P114-Y116 PolarHBondContact O-N 3.47Å
117A96.2Very high96.9Very high14 Ų1444.9 Ų44.912%0.11623%0.234CC..THydrogen-bonded Turntrans-113.4-126.9177.300000110.9I92 A112 S113 P114 L124I92-A117 HydrophobicContact CD1-CB 4.31Å; A112-A117 HydrophobicContact CB-CB 4.16Å; S113-A117 WeakPolarHBondContact O-CB 3.46Å; S113-A117 PolarHBondContact O-N 2.9Å; P114-A117 CarbonylContact O-C 3.37Å; P114-A117 PolarHBondContact O-N 2.83Å; A117-L124 HydrophobicContact CB-CD1 3.97Å; A117-L124 HydrophobicContact CB-CG 4.33Å
118Y94.4Very high96.9Very high131 Ų13143.9 Ų43.951%0.51423%0.229SC..THydrogen-bonded Turntrans-92.10.5-176.5-58.6-58.6000114.8I92 D120 L124I92-Y118 HydrophobicContact CG2-CD1 3.78Å; I92-Y118 HydrophobicContact CG2-CE1 3.52Å; Y118-D120 PolarHBondContact O-N 2.86Å; Y118-L124 HydrophobicContact CD2-CD1 3.58Å; Y118-L124 HydrophobicContact CE2-CD1 3.46Å; Y118-L124 VanDerWaalsContact CE2-CD1 3.46Å
119K93.8Very high96.9Very high146 Ų14644.9 Ų44.964%0.63523%0.234SC*.SBendtrans56.528.9-176.4-52.8-178.8177.8-176.30114.3P114P114-K119 VanDerWaalsContact O-CA 3.22Å; P114-K119 WeakPolarHBondContact O-CA 3.25Å; P114-K119 PolarHBondContact O-N 2.89Å
120D93.4Very high96.9Very high74 Ų7444 Ų4440%0.39623%0.229SC..SBendtrans-100.814.9179.972.7-26000112.9Y118 K122Y118-D120 PolarHBondContact O-N 2.86Å; D120-K122 VanDerWaalsContact C-N 3.29Å; D120-K122 PolarHBondContact O-N 2.77Å; D120-K122 PolarHBondContact OD1-N 2.93Å; D120-K122 WeakPolarHBondContact OD2-CD 3.41Å; D120-K122 WeakPolarHBondContact OD2-CE 3.44Å; D120-K122 IonicContact OD2-NZ 2.76Å; D120-K122 PolarHBondContact OD2-NZ 3Å
121G93.4Very high96.8Very high64 Ų6446.7 Ų46.766%0.6624%0.241SC*.SBendtrans79.32.1-178.600000114.8P114P114-G121 VanDerWaalsContact CG-C 3.44Å
122K94.6Very high96.6Very high106 Ų10649.2 Ų49.246%0.46125%0.253SS..  trans-100.4134.9179.1-57.7-177.3-162.4122.10112.3D120 L124D120-K122 VanDerWaalsContact C-N 3.29Å; D120-K122 PolarHBondContact O-N 2.77Å; D120-K122 PolarHBondContact OD1-N 2.93Å; D120-K122 WeakPolarHBondContact OD2-CD 3.41Å; D120-K122 WeakPolarHBondContact OD2-CE 3.44Å; D120-K122 IonicContact OD2-NZ 2.76Å; D120-K122 PolarHBondContact OD2-NZ 3Å; K122-L124 HydrophobicContact CB-CD2 4.22Å
123T97Very high96.5Very high44 Ų4450 Ų5027%0.2726%0.258SS..EExtended strand (participates in β ladder)trans-85.4132.9166.2-560000108.6Y63 I111 A112Y63-T123 HydrophobicContact CD1-CG2 3.79Å; Y63-T123 HydrophobicContact CG-CG2 4.38Å; Y63-T123 PolarHBondContact N-O 3.29Å; Y63-T123 VanDerWaalsContact O-O 3.12Å; I111-T123 HydrophobicContact CG2-CG2 3.6Å; A112-T123 WeakPolarHBondContact O-CA 3.32Å; A112-T123 WeakPolarHBondContact O-CG2 3.05Å
124L98Very high96.3Very high5 Ų550.3 Ų50.33%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-115.8142.3-177.1-54.6-179.8000109.9F72 I111 A112 A117 Y118 K122 F126F72-L124 HydrophobicContact CD1-CD2 4.34Å; F72-L124 HydrophobicContact CE1-CB 4.28Å; F72-L124 HydrophobicContact CE1-CD1 4.41Å; F72-L124 HydrophobicContact CE1-CD2 3.74Å; F72-L124 HydrophobicContact CE1-CG 4.36Å; F72-L124 HydrophobicContact CZ-CB 4.39Å; F72-L124 HydrophobicContact CZ-CD1 3.97Å; F72-L124 HydrophobicContact CZ-CD2 4.12Å; F72-L124 HydrophobicContact CZ-CG 4.39Å; I111-L124 CarbonylContact C-O 3.56Å; I111-L124 WeakPolarHBondContact CA-O 3.36Å; A112-L124 PolarHBondContact N-O 3.21Å; A112-L124 PolarHBondContact O-N 2.88Å; A117-L124 HydrophobicContact CB-CD1 3.97Å; A117-L124 HydrophobicContact CB-CG 4.33Å; Y118-L124 HydrophobicContact CD2-CD1 3.58Å; Y118-L124 HydrophobicContact CE2-CD1 3.46Å; Y118-L124 VanDerWaalsContact CE2-CD1 3.46Å; K122-L124 HydrophobicContact CB-CD2 4.22Å; L124-F126 HydrophobicContact CB-CD2 4.33Å; L124-F126 HydrophobicContact CB-CE2 3.54Å; L124-F126 HydrophobicContact CB-CZ 3.97Å; L124-F126 HydrophobicContact CD1-CE2 4.11Å; L124-F126 HydrophobicContact CD1-CZ 3.84Å
125K98.3Very high96.2Very high42 Ų4249.1 Ų49.118%0.18325%0.25CS..EExtended strand (participates in β ladder)trans-113.8131.6171.1172.6177.665.5168.60109.7G60 T61 Y63 E109 L110 I111G60-K125 CarbonylContact C-O 3.53Å; G60-K125 WeakPolarHBondContact CA-O 3.34Å; T61-K125 PolarHBondContact N-O 2.95Å; T61-K125 PolarHBondContact O-N 2.81Å; T61-K125 VanDerWaalsContact OG1-CE 3.22Å; T61-K125 WeakPolarHBondContact OG1-CE 3.36Å; T61-K125 PolarHBondContact OG1-O 3.22Å; Y63-K125 HydrophobicContact CD2-CB 4.21Å; Y63-K125 HydrophobicContact CD2-CD 4.3Å; Y63-K125 HydrophobicContact CG-CB 4.42Å; E109-K125 HydrophobicContact CG-CD 3.86Å; E109-K125 HydrophobicContact CG-CG 3.81Å; E109-K125 WeakPolarHBondContact OE1-CD 3.25Å; L110-K125 CarbonylContact O-C 3.59Å; L110-K125 WeakPolarHBondContact O-CA 3.46Å; I111-K125 HydrophobicContact CG1-CB 4.21Å; I111-K125 HydrophobicContact CG1-CG 4.17Å
126F98.6Very high96.1Very high3 Ų346.8 Ų46.81%0.01324%0.242CC..EExtended strand (participates in β ladder)trans-121.3129176.6-59.8-91.3000110.3Y58 V59 F72 I92 W95 E109 L110 L124 V128Y58-F126 HydrophobicContact CD2-CD1 4.19Å; V59-F126 CarbonylContact O-C 3.56Å; V59-F126 VanDerWaalsContact O-CA 3.3Å; V59-F126 WeakPolarHBondContact O-CA 3.13Å; F72-F126 HydrophobicContact CE2-CE1 4.25Å; F72-F126 HydrophobicContact CZ-CD1 4.49Å; F72-F126 AromaticContact CZ-CE1 3.61Å; F72-F126 HydrophobicContact CZ-CE1 3.61Å; F72-F126 AromaticContact CZ-CZ 3.72Å; F72-F126 HydrophobicContact CZ-CZ 3.72Å; I92-F126 HydrophobicContact CD1-CE2 3.58Å; I92-F126 HydrophobicContact CD1-CZ 3.76Å; W95-F126 AromaticContact CZ2-CD1 3.79Å; W95-F126 HydrophobicContact CZ2-CD1 3.79Å; W95-F126 HydrophobicContact CZ2-CE1 4.21Å; W95-F126 HydrophobicContact CZ2-CG 4.28Å; W95-F126 AromaticContact NE1-CD1 3.61Å; W95-F126 AromaticContact NE1-CD2 3.57Å; W95-F126 AromaticContact NE1-CE1 3.8Å; W95-F126 AromaticContact NE1-CE2 3.78Å; W95-F126 AromaticContact NE1-CG 3.47Å; W95-F126 AromaticContact NE1-CZ 3.88Å; E109-F126 CarbonylContact C-O 3.57Å; E109-F126 VanDerWaalsContact CA-O 3.3Å; E109-F126 WeakPolarHBondContact CA-O 3.44Å; L110-F126 HydrophobicContact CB-CB 4.41Å; L110-F126 PolarHBondContact N-O 3.26Å; L110-F126 PolarHBondContact O-N 2.95Å; L124-F126 HydrophobicContact CB-CD2 4.33Å; L124-F126 HydrophobicContact CB-CE2 3.54Å; L124-F126 HydrophobicContact CB-CZ 3.97Å; L124-F126 HydrophobicContact CD1-CE2 4.11Å; L124-F126 HydrophobicContact CD1-CZ 3.84Å; F126-V128 HydrophobicContact CB-CG2 3.84Å
127E98.6Very high96Very high75 Ų7547.3 Ų47.335%0.3525%0.247SC..EExtended strand (participates in β ladder)trans-87.2125.3155.6-175.5-171.8117.200107.3L39 Y58 V59 R76 I107 C108L39-E127 HydrophobicContact CD1-CG 4.15Å; Y58-E127 CarbonylContact C-O 3.6Å; Y58-E127 WeakPolarHBondContact CA-O 3.43Å; Y58-E127 WeakPolarHBondContact CB-O 3.38Å; V59-E127 PolarHBondContact N-O 2.82Å; V59-E127 PolarHBondContact O-N 3.32Å; R76-E127 IonicContact NH2-OE1 2.61Å; I107-E127 HydrophobicContact CG2-CG 3.78Å; C108-E127 CarbonylContact O-C 3.54Å; C108-E127 WeakPolarHBondContact O-CA 3.34Å
128V98.7Very high96Very high0 Ų046.9 Ų46.90%024%0.243CC..EExtended strand (participates in β ladder)trans-126.7131.6-177.9-173.20000109.7V56 H57 W95 V99 M102 I107 C108 L110 F126V56-V128 HydrophobicContact CB-CG1 4.04Å; V56-V128 HydrophobicContact CG1-CG1 4.14Å; V56-V128 HydrophobicContact CG2-CG1 4.41Å; H57-V128 CarbonylContact O-C 3.5Å; H57-V128 WeakPolarHBondContact O-CA 3.19Å; W95-V128 HydrophobicContact CZ2-CG2 4.04Å; V99-V128 HydrophobicContact CG2-CG1 4.27Å; M102-V128 HydrophobicContact CE-CB 4.38Å; M102-V128 HydrophobicContact CE-CG1 4.25Å; M102-V128 VanDerWaalsContact CE-O 3.3Å; M102-V128 WeakPolarHBondContact CE-O 3.46Å; M102-V128 HydrophobicContact SD-CB 4.29Å; M102-V128 HydrophobicContact SD-CG1 3.99Å; I107-V128 CarbonylContact C-O 3.51Å; I107-V128 VanDerWaalsContact CA-O 3.28Å; I107-V128 WeakPolarHBondContact CA-O 3.46Å; C108-V128 PolarHBondContact N-O 3.31Å; C108-V128 PolarHBondContact O-N 3.18Å; L110-V128 HydrophobicContact CD1-CG2 4.22Å; F126-V128 HydrophobicContact CB-CG2 3.84Å
129E98.5Very high96Very high21 Ų2140.7 Ų40.710%0.09822%0.219CC..EExtended strand (participates in β ladder)trans-114119.3173.7179.6170.9-151.300109.6R40 V56 H57 R76 E106 I107 F131R40-E129 IonicContact CZ-OE1 3.5Å; R40-E129 IonicContact NH1-OE1 3.28Å; R40-E129 IonicContact NH2-OE1 2.92Å; R40-E129 PolarHBondContact NH2-OE1 3.34Å; V56-E129 CarbonylContact C-O 3.6Å; V56-E129 WeakPolarHBondContact CA-O 3.48Å; V56-E129 WeakPolarHBondContact CB-O 3.49Å; H57-E129 PolarHBondContact N-O 3.23Å; H57-E129 PolarHBondContact O-N 2.75Å; R76-E129 IonicContact CZ-OE2 3.37Å; R76-E129 IonicContact NH1-OE2 3.9Å; R76-E129 PolarHBondContact NH1-OE2 3.33Å; R76-E129 VanDerWaalsContact NH1-OE2 3.14Å; R76-E129 IonicContact NH2-OE2 3.99Å; R76-E129 PolarHBondContact NH2-OE2 2.72Å; E106-E129 WeakPolarHBondContact O-CA 3.47Å; I107-E129 HydrophobicContact CD1-CG 4.35Å; I107-E129 HydrophobicContact CG1-CB 3.97Å; I107-E129 HydrophobicContact CG1-CG 3.85Å; E129-F131 HydrophobicContact CB-CE2 4.23Å; E129-F131 HydrophobicContact CB-CZ 4.5Å; E129-F131 HydrophobicContact CG-CD2 4.44Å; E129-F131 HydrophobicContact CG-CE1 4.3Å; E129-F131 HydrophobicContact CG-CE2 3.82Å; E129-F131 HydrophobicContact CG-CZ 3.74Å; E129-F131 VanDerWaalsContact OE2-CZ 3.28Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.24Å
130L98.2Very high95.8Very high0 Ų040.2 Ų40.20%021%0.213CC..EExtended strand (participates in β ladder)trans-91.2118.6178.7177.662.4000110.9P48 V54 V56 M102 L104 G105 E106 E132P48-L130 HydrophobicContact CG-CD2 3.8Å; V54-L130 HydrophobicContact CB-CD1 3.87Å; V54-L130 HydrophobicContact CG1-CD1 4.11Å; V56-L130 HydrophobicContact CG1-CD1 3.87Å; M102-L130 HydrophobicContact CB-CB 4.34Å; M102-L130 HydrophobicContact CB-CD2 3.79Å; M102-L130 HydrophobicContact CE-CB 3.69Å; M102-L130 HydrophobicContact SD-CB 4.26Å; L104-L130 HydrophobicContact CD2-CD2 4.39Å; L104-L130 HydrophobicContact CD2-CG 4.3Å; G105-L130 VanDerWaalsContact CA-O 3.25Å; G105-L130 WeakPolarHBondContact CA-O 3.35Å; G105-L130 PolarHBondContact N-O 2.66Å; E106-L130 PolarHBondContact O-N 3.3Å; L130-E132 WeakPolarHBondContact CD1-O 3.07Å
131F96Very high95.6Very high57 Ų5742.2 Ų42.225%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-95.6-46.6178.7-68.8-84.2000113I55 H57 K81 E129I55-F131 WeakPolarHBondContact O-CB 3.46Å; I55-F131 PolarHBondContact O-N 3.22Å; H57-F131 HydrophobicContact CB-CE2 3.8Å; H57-F131 HydrophobicContact CB-CZ 4.48Å; H57-F131 AromaticContact CD2-CE2 3.47Å; H57-F131 VanDerWaalsContact CD2-CE2 3.47Å; H57-F131 WeakPolarHBondContact CD2-CE2 3.45Å; H57-F131 AromaticContact CD2-CZ 3.71Å; H57-F131 AromaticContact CG-CE2 3.93Å; K81-F131 HydrophobicContact CD-CD2 4.05Å; K81-F131 HydrophobicContact CD-CE2 4.39Å; K81-F131 HydrophobicContact CD-CG 4.35Å; E129-F131 HydrophobicContact CB-CE2 4.23Å; E129-F131 HydrophobicContact CB-CZ 4.5Å; E129-F131 HydrophobicContact CG-CD2 4.44Å; E129-F131 HydrophobicContact CG-CE1 4.3Å; E129-F131 HydrophobicContact CG-CE2 3.82Å; E129-F131 HydrophobicContact CG-CZ 3.74Å; E129-F131 VanDerWaalsContact OE2-CZ 3.28Å; E129-F131 WeakPolarHBondContact OE2-CZ 3.24Å
132E94.4Very high95.5Very high63 Ų6345 Ų4529%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-146147.5-171.9-160.9163.3-164.900110.6V54 I55 L130 L134 R229V54-E132 VanDerWaalsContact CA-O 3.32Å; V54-E132 WeakPolarHBondContact CA-O 3.26Å; I55-E132 HydrophobicContact CB-CB 4.17Å; I55-E132 HydrophobicContact CD1-CB 4.11Å; I55-E132 HydrophobicContact CG1-CB 4.14Å; I55-E132 PolarHBondContact N-O 3.46Å; I55-E132 PolarHBondContact O-N 2.93Å; L130-E132 WeakPolarHBondContact CD1-O 3.07Å; E132-L134 HydrophobicContact CG-CD2 3.82Å; E132-L134 HydrophobicContact CG-CG 3.99Å; E132-L134 WeakPolarHBondContact OE1-CD2 3.36Å; E132-R229 IonicContact OE1-NH2 3.98Å
133T95.3Very high95.3Very high16 Ų1642.9 Ų42.910%0.09821%0.211CC..EExtended strand (participates in β ladder)trans-128.7125.4168.6-169.50000108.2V46 P48 D52 L104V46-T133 HydrophobicContact CG1-CG2 3.7Å; P48-T133 WeakPolarHBondContact CA-OG1 3.33Å; P48-T133 WeakPolarHBondContact CB-OG1 3.28Å; D52-T133 PolarHBondContact OD2-OG1 2.79Å; L104-T133 HydrophobicContact CD2-CG2 4.01Å; L104-T133 HydrophobicContact CG-CG2 4.39Å
134L93.5Very high95Very high33 Ų3341.3 Ų41.317%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-121.4119-172.9-63.6177.1000109D52 T53 I55 E132D52-L134 CarbonylContact C-O 3.56Å; D52-L134 WeakPolarHBondContact CA-O 3.36Å; T53-L134 PolarHBondContact N-O 3.15Å; T53-L134 PolarHBondContact O-N 3.41Å; I55-L134 HydrophobicContact CD1-CD1 4.34Å; E132-L134 HydrophobicContact CG-CD2 3.82Å; E132-L134 HydrophobicContact CG-CG 3.99Å; E132-L134 WeakPolarHBondContact OE1-CD2 3.36Å
135G95.6Very high94.8Very high4 Ų442.3 Ų42.34%0.04121%0.211CC..  trans-58.3160.8169.800000112.7D52 D137 R147 K148 S149D52-G135 WeakPolarHBondContact OD1-CA 3.27Å; G135-D137 PolarHBondContact O-N 3.39Å; G135-R147 PolarHBondContact O-NH1 2.58Å; G135-K148 CarbonylContact C-O 3.53Å; G135-K148 WeakPolarHBondContact CA-O 3.42Å; G135-S149 VanDerWaalsContact CA-OG 3.28Å; G135-S149 WeakPolarHBondContact CA-OG 3.43Å
136S94.8Very high94.7Very high58 Ų5840.6 Ų40.641%0.40620%0.204SC..EExtended strand (participates in β ladder)trans-58.4133.6174.3-76.60000110.7G51 V138 R147 K148G51-S136 PolarHBondContact O-OG 3.12Å; S136-V138 PolarHBondContact O-N 2.95Å; S136-R147 CarbonylContact O-C 3.6Å; S136-R147 WeakPolarHBondContact O-CA 3.07Å; S136-K148 PolarHBondContact N-O 3.06Å; S136-K148 PolarHBondContact O-N 2.94Å
137D94.3Very high94.6Very high37 Ų3743.5 Ų43.520%0.19822%0.215CC..EExtended strand (participates in β ladder)trans-73.8108.2178.9-176.21.1000111.1G135 S139 K142 D143 G144G135-D137 PolarHBondContact O-N 3.39Å; D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.24Å; D137-S139 PolarHBondContact OD1-OG 2.91Å; D137-S139 PolarHBondContact OD2-OG 3.38Å; D137-K142 PolarHBondContact O-NZ 2.68Å; D137-K142 WeakPolarHBondContact OD2-CA 3.25Å; D137-D143 PolarHBondContact OD2-N 3.5Å; D137-D143 VanDerWaalsContact OD2-N 3.13Å; D137-G144 WeakPolarHBondContact OD2-CA 3.43Å; D137-G144 PolarHBondContact OD2-N 3.04Å
138V95.8Very high94.5Very high6 Ų640.6 Ų40.64%0.03620%0.201CC..  trans-104.16178.6-640000111.9S136 I146 K148 Q199 C200 H203S136-V138 PolarHBondContact O-N 2.95Å; V138-I146 HydrophobicContact CG2-CB 4.13Å; V138-I146 HydrophobicContact CG2-CG2 3.56Å; V138-I146 WeakPolarHBondContact CG2-O 3.48Å; V138-I146 PolarHBondContact N-O 2.92Å; V138-K148 HydrophobicContact CG1-CB 3.88Å; V138-K148 HydrophobicContact CG1-CD 4.5Å; V138-K148 HydrophobicContact CG2-CB 4Å; V138-Q199 WeakPolarHBondContact O-CG 3.15Å; V138-C200 HydrophobicContact CG2-CB 4.21Å; V138-H203 HydrophobicContact CB-CB 4.43Å; V138-H203 HydrophobicContact CG1-CB 3.8Å
139S94.1Very high94.4Very high1 Ų140.8 Ų40.81%0.00720%0.203CC..  trans-62.3153.217371.70000111.1D137 N141 K142 D143 S145 I146 Q199D137-S139 WeakPolarHBondContact OD1-CB 3.48Å; D137-S139 PolarHBondContact OD1-N 3.24Å; D137-S139 PolarHBondContact OD1-OG 2.91Å; D137-S139 PolarHBondContact OD2-OG 3.38Å; S139-N141 VanDerWaalsContact C-N 3.32Å; S139-N141 PolarHBondContact O-N 3.06Å; S139-K142 WeakPolarHBondContact O-CD 3.48Å; S139-K142 PolarHBondContact O-N 3.28Å; S139-K142 PolarHBondContact O-NZ 2.76Å; S139-K142 WeakPolarHBondContact OG-CA 3.49Å; S139-K142 PolarHBondContact OG-N 2.83Å; S139-K142 VanDerWaalsContact OG-N 3.11Å; S139-D143 PolarHBondContact OG-N 3.13Å; S139-D143 VanDerWaalsContact OG-N 3.11Å; S139-D143 PolarHBondContact OG-OD1 3.42Å; S139-S145 WeakPolarHBondContact CB-OG 3.37Å; S139-I146 PolarHBondContact N-O 2.8Å; S139-Q199 VanDerWaalsContact CA-OE1 3.3Å
140R90.2Very high94.3Very high135 Ų13541.9 Ų41.951%0.50921%0.208SC..THydrogen-bonded Turntrans-62-40.9178-164.7174.8177.7-163.9-1.9113.4K142 D275R140-K142 VanDerWaalsContact C-N 3.35Å; R140-D275 IonicContact CZ-OD1 2.66Å; R140-D275 IonicContact CZ-OD2 2.72Å; R140-D275 IonicContact NH1-OD1 2.68Å; R140-D275 PolarHBondContact NH1-OD1 3.1Å; R140-D275 IonicContact NH1-OD2 3.28Å; R140-D275 PolarHBondContact NH1-OD2 3.42Å; R140-D275 IonicContact NH2-OD1 3.85Å; R140-D275 PolarHBondContact NH2-OD1 3.46Å; R140-D275 IonicContact NH2-OD2 3.91Å; R140-D275 PolarHBondContact NH2-OD2 2.96Å
141N90.3Very high94.2Very high116 Ų11645.4 Ų45.462%0.6223%0.227SC*.THydrogen-bonded Turntrans-91.3-2.3-173.5-59.7-36.1000112.6S139 D143S139-N141 VanDerWaalsContact C-N 3.32Å; S139-N141 PolarHBondContact O-N 3.06Å; N141-D143 HydrophobicContact CB-CB 4.27Å; N141-D143 PolarHBondContact O-N 2.8Å
142K91.7Very high94.2Very high124 Ų12449 Ų4954%0.53924%0.239SC..SBendtrans54.344.9-173.1-56.2-56.9179.9-160.50112D137 S139 R140D137-K142 PolarHBondContact O-NZ 2.68Å; D137-K142 WeakPolarHBondContact OD2-CA 3.25Å; S139-K142 WeakPolarHBondContact O-CD 3.48Å; S139-K142 PolarHBondContact O-N 3.28Å; S139-K142 PolarHBondContact O-NZ 2.76Å; S139-K142 WeakPolarHBondContact OG-CA 3.49Å; S139-K142 PolarHBondContact OG-N 2.83Å; S139-K142 VanDerWaalsContact OG-N 3.11Å; R140-K142 VanDerWaalsContact C-N 3.35Å
143D90.4Very high94.3Very high60 Ų6052.5 Ų52.532%0.32125%0.253SS..SBendtrans-108.19.4-176.762.414.1000113.2D137 S139 N141 S145 K218D137-D143 PolarHBondContact OD2-N 3.5Å; D137-D143 VanDerWaalsContact OD2-N 3.13Å; S139-D143 PolarHBondContact OG-N 3.13Å; S139-D143 VanDerWaalsContact OG-N 3.11Å; S139-D143 PolarHBondContact OG-OD1 3.42Å; N141-D143 HydrophobicContact CB-CB 4.27Å; N141-D143 PolarHBondContact O-N 2.8Å; D143-S145 PolarHBondContact O-N 3.28Å; D143-S145 WeakPolarHBondContact OD1-CB 3.3Å; D143-S145 PolarHBondContact OD1-N 2.79Å; D143-S145 VanDerWaalsContact OD1-N 3.08Å; D143-S145 PolarHBondContact OD1-OG 3.03Å; D143-K218 VanDerWaalsContact OD2-CE 3.23Å; D143-K218 WeakPolarHBondContact OD2-CE 3.17Å; D143-K218 IonicContact OD2-NZ 2.76Å; D143-K218 PolarHBondContact OD2-NZ 3.22Å
144G90.5Very high94.3Very high12 Ų1252.8 Ų52.812%0.12426%0.259CS..SBendtrans73.26.5-179.900000115.1D137 I146D137-G144 WeakPolarHBondContact OD2-CA 3.43Å; D137-G144 PolarHBondContact OD2-N 3.04Å; G144-I146 VanDerWaalsContact C-N 3.26Å; G144-I146 PolarHBondContact O-N 2.97Å
145S92.8Very high94.4Very high25 Ų2557.9 Ų57.918%0.17528%0.279CS..SBendtrans-66.3-25.6-178.354.30000113.8S139 D143 V214 C215S139-S145 WeakPolarHBondContact CB-OG 3.37Å; D143-S145 PolarHBondContact O-N 3.28Å; D143-S145 WeakPolarHBondContact OD1-CB 3.3Å; D143-S145 PolarHBondContact OD1-N 2.79Å; D143-S145 VanDerWaalsContact OD1-N 3.08Å; D143-S145 PolarHBondContact OD1-OG 3.03Å; S145-V214 CarbonylContact O-C 3.55Å; S145-V214 WeakPolarHBondContact O-CA 3.01Å; S145-C215 PolarHBondContact O-N 3.49Å
146I96Very high94.4Very high6 Ų659.2 Ų59.23%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-135.2116178.2-53.5163.2000108.1V138 S139 G144 E196 Q199 C200 V212 V213V138-I146 HydrophobicContact CG2-CB 4.13Å; V138-I146 HydrophobicContact CG2-CG2 3.56Å; V138-I146 WeakPolarHBondContact CG2-O 3.48Å; V138-I146 PolarHBondContact N-O 2.92Å; S139-I146 PolarHBondContact N-O 2.8Å; G144-I146 VanDerWaalsContact C-N 3.26Å; G144-I146 PolarHBondContact O-N 2.97Å; I146-E196 HydrophobicContact CD1-CB 3.65Å; I146-E196 HydrophobicContact CD1-CG 3.74Å; I146-E196 HydrophobicContact CG1-CB 3.93Å; I146-E196 HydrophobicContact CG1-CG 3.97Å; I146-Q199 HydrophobicContact CD1-CB 4.08Å; I146-Q199 HydrophobicContact CD1-CG 3.98Å; I146-C200 HydrophobicContact CG2-CB 4.4Å; I146-V212 HydrophobicContact CG2-CG1 3.84Å; I146-V213 WeakPolarHBondContact CA-O 3.49Å
147R96.3Very high94.3Very high64 Ų6463.7 Ų63.724%0.24230%0.303CS..EExtended strand (participates in β ladder)trans-118.4135.4179.9-68.6-177177.4-93.76.1110.8G135 S136 V212 V213G135-R147 PolarHBondContact O-NH1 2.58Å; S136-R147 CarbonylContact O-C 3.6Å; S136-R147 WeakPolarHBondContact O-CA 3.07Å; R147-V212 CarbonylContact O-C 3.59Å; R147-V212 WeakPolarHBondContact O-CA 3.42Å; R147-V213 PolarHBondContact N-O 2.94Å; R147-V213 PolarHBondContact O-N 3.18Å
148K97.4Very high94.4Very high15 Ų1568.1 Ų68.17%0.06532%0.318CS..EExtended strand (participates in β ladder)trans-116.1122.5-178.8-172-170.271.4150.80110.3G135 S136 V138 H203 M204 E208 C210G135-K148 CarbonylContact C-O 3.53Å; G135-K148 WeakPolarHBondContact CA-O 3.42Å; S136-K148 PolarHBondContact N-O 3.06Å; S136-K148 PolarHBondContact O-N 2.94Å; V138-K148 HydrophobicContact CG1-CB 3.88Å; V138-K148 HydrophobicContact CG1-CD 4.5Å; V138-K148 HydrophobicContact CG2-CB 4Å; K148-H203 PolarHBondContact NZ-O 3.46Å; K148-M204 HydrophobicContact CD-CG 3.91Å; K148-E208 IonicContact NZ-OE1 3.76Å; K148-E208 PolarHBondContact NZ-OE1 2.8Å; K148-E208 IonicContact NZ-OE2 3.18Å; K148-C210 HydrophobicContact CD-CB 4.31Å; K148-C210 HydrophobicContact CG-CB 3.82Å
149S97.4Very high94.4Very high4 Ų471 Ų713%0.02833%0.333CS..EExtended strand (participates in β ladder)trans-110.7125.7171.9-670000109.6D52 G135 I151 C210 R211D52-S149 VanDerWaalsContact CG-OG 3.28Å; D52-S149 WeakPolarHBondContact OD1-CA 3.48Å; D52-S149 VanDerWaalsContact OD1-CB 3.27Å; D52-S149 WeakPolarHBondContact OD1-CB 3.24Å; D52-S149 PolarHBondContact OD1-OG 2.89Å; D52-S149 PolarHBondContact OD2-OG 2.88Å; D52-S149 VanDerWaalsContact OD2-OG 3.06Å; G135-S149 VanDerWaalsContact CA-OG 3.28Å; G135-S149 WeakPolarHBondContact CA-OG 3.43Å; S149-I151 PolarHBondContact O-N 2.86Å; S149-C210 CarbonylContact O-C 3.55Å; S149-C210 VanDerWaalsContact O-CA 3.25Å; S149-C210 WeakPolarHBondContact O-CA 3.11Å; S149-C210 WeakPolarHBondContact O-CB 3.43Å; S149-R211 PolarHBondContact N-O 2.87Å; S149-R211 PolarHBondContact O-N 2.92Å; S149-R211 PolarHBondContact OG-NH2 3.43Å
150I96.5Very high94.5Very high43 Ų4371 Ų7122%0.22133%0.334CS..EExtended strand (participates in β ladder)trans-86.6105-174.2-55.9171.1000110.1C49 K153 E208C49-I150 VanDerWaalsContact CB-O 3.26Å; C49-I150 WeakPolarHBondContact CB-O 3.4Å; C49-I150 PolarHBondContact SG-O 3.3Å; I150-K153 HydrophobicContact CG2-CG 4.03Å; I150-E208 HydrophobicContact CG2-CG 4.23Å
151I96.1Very high94.8Very high75 Ų7566.5 Ų66.539%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-79.7-41.5177.1-61.9171.1000110.3S149 F209 R211S149-I151 PolarHBondContact O-N 2.86Å; I151-F209 WeakPolarHBondContact CA-O 3.28Å; I151-F209 HydrophobicContact CB-CD1 3.66Å; I151-F209 HydrophobicContact CB-CE1 4.04Å; I151-F209 WeakPolarHBondContact CB-O 3.3Å; I151-F209 HydrophobicContact CD1-CD1 4.11Å; I151-F209 HydrophobicContact CD1-CE1 3.68Å; I151-F209 HydrophobicContact CD1-CZ 4.25Å; I151-F209 HydrophobicContact CG1-CD1 4.47Å; I151-F209 HydrophobicContact CG1-CE1 4.47Å; I151-F209 HydrophobicContact CG2-CD1 3.65Å; I151-F209 HydrophobicContact CG2-CE1 3.82Å; I151-F209 PolarHBondContact N-O 2.77Å; I151-R211 HydrophobicContact CD1-CB 3.98Å
152R96Very high95.1Very high133 Ų13361 Ų6150%0.50229%0.291SS..EExtended strand (participates in β ladder)trans-134.2124.1173.1-171.617963.2-126.6-3.4109.3D207 E208 F209R152-D207 PolarHBondContact NE-O 3.33Å; R152-D207 PolarHBondContact NH2-O 3.18Å; R152-D207 VanDerWaalsContact NH2-O 3.1Å; R152-E208 WeakPolarHBondContact O-CA 3.4Å; R152-E208 WeakPolarHBondContact O-CG 3.44Å; R152-F209 HydrophobicContact CB-CB 3.98Å; R152-F209 PolarHBondContact N-O 2.87Å; R152-F209 PolarHBondContact O-N 3.48Å
153K95.4Very high95.3Very high136 Ų13655.1 Ų55.159%0.59127%0.266SS*.  trans-62.4142.6177.1-66-172.5175.4-173.30110.8D50 I150D50-K153 WeakPolarHBondContact OD2-CE 3.29Å; D50-K153 IonicContact OD2-NZ 2.62Å; D50-K153 PolarHBondContact OD2-NZ 2.87Å; I150-K153 HydrophobicContact CG2-CG 4.03Å
154G96.3Very high95.5Very high21 Ų2152.3 Ų52.322%0.21625%0.251CS..  trans-73169.1171.700000112.7S205 T206G154-S205 VanDerWaalsContact CA-OG 3.3Å; G154-S205 WeakPolarHBondContact CA-OG 3.42Å; G154-T206 CarbonylContact C-O 3.59Å; G154-T206 WeakPolarHBondContact CA-O 3.26Å
155K95.5Very high95.8Very high140 Ų14057.4 Ų57.461%0.60927%0.272SS*.SBendtrans-91-9.4-171.470.3-178.5170.1-148.80114.9T206 D207K155-T206 HydrophobicContact CD-CG2 4.48Å; K155-T206 PolarHBondContact N-O 2.96Å; K155-D207 VanDerWaalsContact CD-OD2 3.26Å; K155-D207 WeakPolarHBondContact CD-OD2 3.47Å; K155-D207 VanDerWaalsContact CE-OD2 3.29Å; K155-D207 WeakPolarHBondContact CE-OD2 3.42Å; K155-D207 IonicContact NZ-OD1 2.79Å; K155-D207 IonicContact NZ-OD2 3.48Å; K155-D207 PolarHBondContact NZ-OD2 3.02Å
156D94.1Very high96.1Very high32 Ų3256.2 Ų56.217%0.17126%0.264CS..SBendtrans-139.6177.5179.765.652.4000111.8Y158 S205 T206 K241D156-Y158 HydrophobicContact CB-CD2 4.06Å; D156-Y158 PolarHBondContact OD1-N 3.02Å; D156-S205 WeakPolarHBondContact O-CB 3.5Å; D156-S205 PolarHBondContact O-OG 2.77Å; D156-T206 WeakPolarHBondContact OD2-CB 3.43Å; D156-T206 PolarHBondContact OD2-OG1 2.8Å; D156-K241 IonicContact OD2-NZ 3.57Å; D156-K241 PolarHBondContact OD2-NZ 3.11Å
157I93.3Very high96.2Very high152 Ų15256.9 Ų56.978%0.77927%0.268SS*.SBendtrans-103.16.8-177.362.2165.5000112.6
158Y95.5Very high96.3Very high131 Ų13153.8 Ų53.851%0.51426%0.256SS..  trans-95.9142.7-175.8-58.8-76.5000109.8D156 S205 F239 K241D156-Y158 HydrophobicContact CB-CD2 4.06Å; D156-Y158 PolarHBondContact OD1-N 3.02Å; Y158-S205 WeakPolarHBondContact O-CA 3.22Å; Y158-S205 WeakPolarHBondContact O-CB 3.14Å; Y158-F239 WeakPolarHBondContact O-CZ 3.39Å; Y158-K241 HydrophobicContact CD2-CD 4.29Å
159N96.5Very high96.4Very high66 Ų6653.9 Ų53.935%0.35326%0.258SS..  trans-117.5149.4177.2-59.80.3000110.7R202 M204N159-R202 WeakPolarHBondContact CB-O 3.46Å; N159-R202 PolarHBondContact ND2-O 2.81Å; N159-R202 VanDerWaalsContact ND2-O 3.11Å; N159-M204 WeakPolarHBondContact CA-O 3.47Å; N159-M204 PolarHBondContact OD1-O 2.91Å
160P97Very high96.4Very high2 Ų254.3 Ų54.31%0.01326%0.26CS..  trans-59.8151.2168.3-19.730.4000112.2V186 L201 M204 L236 F239P160-V186 HydrophobicContact CB-CG1 4.49Å; P160-V186 HydrophobicContact CB-CG2 3.87Å; P160-L201 HydrophobicContact CB-CD2 4.43Å; P160-L201 HydrophobicContact CB-CG 4.15Å; P160-L201 WeakPolarHBondContact CD-O 3.36Å; P160-L201 HydrophobicContact CG-CD1 3.94Å; P160-L201 HydrophobicContact CG-CD2 4.46Å; P160-L201 HydrophobicContact CG-CG 3.87Å; P160-M204 WeakPolarHBondContact CD-O 3.4Å; P160-L236 HydrophobicContact CG-CD1 4.27Å; P160-L236 HydrophobicContact CG-CD2 3.49Å; P160-L236 VanDerWaalsContact CG-CD2 3.49Å; P160-F239 HydrophobicContact CB-CB 4.28Å; P160-F239 HydrophobicContact CB-CD2 4.2Å; P160-F239 HydrophobicContact CB-CG 4.17Å; P160-F239 HydrophobicContact CG-CB 3.99Å; P160-F239 HydrophobicContact CG-CD1 3.79Å; P160-F239 HydrophobicContact CG-CD2 4.1Å; P160-F239 HydrophobicContact CG-CE1 4.25Å; P160-F239 HydrophobicContact CG-CG 3.7Å
161V95.5Very high96.5Very high39 Ų3956.6 Ų56.624%0.23627%0.265CS..  trans-140.8153.5-170.3-76.20000108.5G163 A164 T242V161-G163 PolarHBondContact O-N 2.94Å; V161-A164 HydrophobicContact CG2-CB 4.09Å; V161-A164 VanDerWaalsContact O-CB 3.29Å; V161-A164 WeakPolarHBondContact O-CB 3.1Å; V161-A164 PolarHBondContact O-N 2.67Å; V161-T242 WeakPolarHBondContact CG2-OG1 3.46Å
162A96.2Very high96.5Very high0 Ų053.6 Ų53.60%025%0.25CS..THydrogen-bonded Turntrans-51.5130.3-178.300000111.8V186 F268 E279 L280 R283A162-V186 CarbonylContact C-O 3.59Å; A162-V186 WeakPolarHBondContact CA-O 3.37Å; A162-F268 HydrophobicContact CB-CE2 4.26Å; A162-E279 HydrophobicContact CB-CB 4.13Å; A162-E279 VanDerWaalsContact CB-CD 3.49Å; A162-E279 HydrophobicContact CB-CG 4.07Å; A162-E279 PolarHBondContact N-OE1 3.48Å; A162-L280 HydrophobicContact CB-CB 4.5Å; A162-R283 PolarHBondContact O-NH2 3.07Å
163G95.7Very high96.4Very high1 Ų150.2 Ų50.21%0.0124%0.242CC..THydrogen-bonded Turntrans89.8-10.9-17900000115.7V161 C185 V186 K264V161-G163 PolarHBondContact O-N 2.94Å; G163-C185 VanDerWaalsContact CA-SG 3.54Å; G163-V186 PolarHBondContact N-O 3.42Å; G163-K264 WeakPolarHBondContact O-CD 3.17Å; G163-K264 PolarHBondContact O-NZ 2.94Å
164A96.2Very high96.1Very high2 Ų247 Ų472%0.01723%0.234CC..  trans-75.1140.5173.200000110.1V161 V186 E240V161-A164 HydrophobicContact CG2-CB 4.09Å; V161-A164 VanDerWaalsContact O-CB 3.29Å; V161-A164 WeakPolarHBondContact O-CB 3.1Å; V161-A164 PolarHBondContact O-N 2.67Å; A164-V186 WeakPolarHBondContact O-CG2 3.33Å; A164-V186 PolarHBondContact O-N 3.2Å; A164-E240 HydrophobicContact CB-CB 4.35Å
165E97.3Very high95.8Very high118 Ų11851.5 Ų51.555%0.55125%0.253SS*.EExtended strand (participates in β ladder)trans-73.7132.7167.1-173.4172.290.400109.4T183 Y184 F239 E240E165-T183 HydrophobicContact CG-CG2 3.42Å; E165-T183 VanDerWaalsContact CG-CG2 3.42Å; E165-Y184 CarbonylContact C-O 3.55Å; E165-Y184 WeakPolarHBondContact CA-O 3.41Å; E165-F239 CarbonylContact O-C 3.59Å; E165-F239 WeakPolarHBondContact O-CA 3.26Å; E165-F239 WeakPolarHBondContact O-CB 3.47Å; E165-E240 HydrophobicContact CB-CB 4.42Å; E165-E240 PolarHBondContact O-N 3.25Å
166A98.2Very high95.5Very high1 Ų149 Ų491%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-135.6143.9177.500000111.1T183 Y184 V186 L201 S238 F239A166-T183 CarbonylContact O-C 3.56Å; A166-T183 VanDerWaalsContact O-CA 3.27Å; A166-T183 WeakPolarHBondContact O-CA 3.14Å; A166-Y184 PolarHBondContact N-O 3.13Å; A166-Y184 PolarHBondContact O-N 2.69Å; A166-V186 HydrophobicContact CB-CG2 3.54Å; A166-L201 HydrophobicContact CB-CD2 3.9Å; A166-S238 WeakPolarHBondContact CA-O 3.34Å; A166-F239 HydrophobicContact CB-CB 3.8Å
167T98.6Very high95.2Very high19 Ų1950 Ų5012%0.11726%0.26CS..EExtended strand (participates in β ladder)trans-108.5123173.2-55.40000109E181 V182 T183 K237 S238T167-E181 HydrophobicContact CG2-CG 4.07Å; T167-V182 WeakPolarHBondContact CA-O 3.33Å; T167-T183 PolarHBondContact OG1-OG1 3.41Å; T167-K237 HydrophobicContact CG2-CB 4.09Å; T167-K237 HydrophobicContact CG2-CG 4.46Å; T167-K237 WeakPolarHBondContact O-CB 3.35Å; T167-K237 PolarHBondContact O-N 2.86Å; T167-S238 PolarHBondContact N-O 2.96Å; T167-S238 PolarHBondContact O-N 3.17Å; T167-S238 PolarHBondContact OG1-OG 2.86Å
168I98.6Very high95.2Very high0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-121.4153.3176.568.3171.7000110.7F170 E181 V182 Y184 V193 L201 L234 T235 L236I168-F170 HydrophobicContact CD1-CD1 3.87Å; I168-F170 HydrophobicContact CD1-CE1 4.44Å; I168-F170 HydrophobicContact CG1-CD1 4.22Å; I168-E181 WeakPolarHBondContact O-CA 3.35Å; I168-V182 PolarHBondContact N-O 3.27Å; I168-V182 PolarHBondContact O-N 3.42Å; I168-Y184 HydrophobicContact CD1-CE1 3.71Å; I168-Y184 HydrophobicContact CG1-CE1 3.92Å; I168-Y184 HydrophobicContact CG2-CE1 4.43Å; I168-V193 HydrophobicContact CD1-CG1 3.99Å; I168-L201 HydrophobicContact CG2-CD1 3.65Å; I168-L201 HydrophobicContact CG2-CD2 3.9Å; I168-L201 HydrophobicContact CG2-CG 4.38Å; I168-L234 HydrophobicContact CB-CD1 3.95Å; I168-L234 HydrophobicContact CD1-CD1 3.92Å; I168-L234 HydrophobicContact CG1-CD1 4.42Å; I168-L234 HydrophobicContact CG2-CD1 4.36Å; I168-T235 CarbonylContact C-O 3.53Å; I168-T235 VanDerWaalsContact CA-O 3.28Å; I168-T235 WeakPolarHBondContact CA-O 3.48Å; I168-L236 HydrophobicContact CG2-CD1 4.42Å
169V98.5Very high95.3Very high17 Ų1749.7 Ų49.710%0.10326%0.264CS..EExtended strand (participates in β ladder)trans-119.1127163.8-178.20000107.4D179 V180 E181 T235 K237V169-D179 HydrophobicContact CG1-CB 3.97Å; V169-V180 CarbonylContact C-O 3.59Å; V169-V180 VanDerWaalsContact CA-O 3.3Å; V169-V180 WeakPolarHBondContact CA-O 3.32Å; V169-E181 HydrophobicContact CG2-CB 3.98Å; V169-E181 HydrophobicContact CG2-CG 3.83Å; V169-T235 PolarHBondContact N-O 3.4Å; V169-T235 PolarHBondContact O-N 3.25Å; V169-K237 HydrophobicContact CG2-CD 4.41Å; V169-K237 HydrophobicContact CG2-CG 3.88Å
170F98.2Very high95.3Very high13 Ų1349.1 Ų49.16%0.05726%0.263CS..EExtended strand (participates in β ladder)trans-139.4155.1178.374.3-80.4000112.8I168 V180 V182 T192 V193 L197 Y232 E233 L234I168-F170 HydrophobicContact CD1-CD1 3.87Å; I168-F170 HydrophobicContact CD1-CE1 4.44Å; I168-F170 HydrophobicContact CG1-CD1 4.22Å; F170-V180 HydrophobicContact CD1-CB 4.26Å; F170-V180 HydrophobicContact CE1-CB 3.81Å; F170-V180 HydrophobicContact CE1-CG1 3.99Å; F170-V180 HydrophobicContact CZ-CB 3.99Å; F170-V180 HydrophobicContact CZ-CG1 4.22Å; F170-V180 HydrophobicContact CZ-CG2 4.41Å; F170-V180 PolarHBondContact N-O 3.12Å; F170-V180 PolarHBondContact O-N 3.22Å; F170-V182 HydrophobicContact CE1-CG2 4.26Å; F170-T192 WeakPolarHBondContact CZ-O 3.47Å; F170-V193 HydrophobicContact CE1-CG2 3.89Å; F170-V193 HydrophobicContact CZ-CG2 4.31Å; F170-L197 HydrophobicContact CB-CD1 3.83Å; F170-L197 HydrophobicContact CD1-CD1 4.32Å; F170-L197 HydrophobicContact CD2-CD1 3.44Å; F170-L197 VanDerWaalsContact CD2-CD1 3.44Å; F170-L197 HydrophobicContact CE2-CD1 4.06Å; F170-L197 HydrophobicContact CG-CD1 3.59Å; F170-Y232 HydrophobicContact CD2-CD1 4.18Å; F170-E233 CarbonylContact C-O 3.57Å; F170-E233 WeakPolarHBondContact CA-O 3.15Å; F170-E233 WeakPolarHBondContact CB-O 3.48Å; F170-L234 HydrophobicContact CB-CD1 3.79Å
171R97.2Very high95.3Very high90 Ų9055.2 Ų55.234%0.3429%0.291SS..EExtended strand (participates in β ladder)trans-138.2133.9178.4-175.5-178.1179.6177.43.5109.7L173 T177 D179 Y232 E233R171-L173 HydrophobicContact CG-CD2 4.38Å; R171-L173 PolarHBondContact O-N 2.79Å; R171-T177 WeakPolarHBondContact CD-O 3.43Å; R171-T177 WeakPolarHBondContact CG-O 3.29Å; R171-T177 PolarHBondContact NE-O 3.45Å; R171-D179 WeakPolarHBondContact CB-OD1 3.45Å; R171-D179 WeakPolarHBondContact CD-OD1 3.46Å; R171-Y232 CarbonylContact O-C 3.59Å; R171-Y232 WeakPolarHBondContact O-CA 3.35Å; R171-E233 PolarHBondContact N-O 3.37Å; R171-E233 PolarHBondContact O-N 2.61Å
172N96.3Very high95.5Very high13 Ų1354.6 Ų54.67%0.0729%0.287CS..EExtended strand (participates in β ladder)trans-85.6109.8171.5-178.6-18.4000109T174 D175 S176 T177 Y232N172-T174 WeakPolarHBondContact OD1-CA 3.46Å; N172-T174 WeakPolarHBondContact OD1-CB 3.28Å; N172-T174 PolarHBondContact OD1-N 3.44Å; N172-D175 PolarHBondContact ND2-OD2 3.03Å; N172-D175 PolarHBondContact OD1-N 2.75Å; N172-S176 WeakPolarHBondContact O-CA 3.48Å; N172-S176 PolarHBondContact O-N 2.77Å; N172-T177 HydrophobicContact CB-CG2 3.86Å; N172-T177 PolarHBondContact N-OG1 3.13Å; N172-T177 PolarHBondContact O-N 2.9Å; N172-Y232 HydrophobicContact CB-CD1 3.89Å; N172-Y232 HydrophobicContact CB-CE1 3.68Å
173L93.4Very high95.6Very high62 Ų6258 Ų5833%0.32531%0.308SS..THydrogen-bonded Turntrans-75.7-27.3179.7-63.7-173.8000112.4R171 V231 E233R171-L173 HydrophobicContact CG-CD2 4.38Å; R171-L173 PolarHBondContact O-N 2.79Å; L173-V231 HydrophobicContact CB-CB 4.32Å; L173-V231 HydrophobicContact CB-CG1 4.42Å; L173-V231 WeakPolarHBondContact CB-O 3.46Å; L173-V231 HydrophobicContact CD1-CG1 4.05Å; L173-V231 PolarHBondContact N-O 2.63Å; L173-E233 HydrophobicContact CD1-CG 3.83Å; L173-E233 HydrophobicContact CD2-CG 4.31Å; L173-E233 HydrophobicContact CG-CG 4.2Å
174T91.1Very high95.7Very high68 Ų6858.6 Ų58.642%0.41731%0.31SS..THydrogen-bonded Turntrans-67.8-44.1177.2-56.60000111.2N172 V230 V231N172-T174 WeakPolarHBondContact OD1-CA 3.46Å; N172-T174 WeakPolarHBondContact OD1-CB 3.28Å; N172-T174 PolarHBondContact OD1-N 3.44Å; T174-V230 WeakPolarHBondContact OG1-CA 3.41Å; T174-V231 PolarHBondContact OG1-N 3.47Å
175D89.9Confident95.7Very high115 Ų11560.2 Ų60.262%0.61532%0.321SS*.THydrogen-bonded Turntrans-93.94.5179-62-38.4000113.1N172 T177N172-D175 PolarHBondContact ND2-OD2 3.03Å; N172-D175 PolarHBondContact OD1-N 2.75Å; D175-T177 VanDerWaalsContact C-N 3.27Å; D175-T177 HydrophobicContact CB-CG2 4.07Å; D175-T177 PolarHBondContact O-N 2.97Å
176S87.5Confident95.7Very high89 Ų8954.6 Ų54.662%0.62230%0.295SS*.THydrogen-bonded Turntrans50.840.6-178.7-630000114.3N172N172-S176 WeakPolarHBondContact O-CA 3.48Å; N172-S176 PolarHBondContact O-N 2.77Å
177T88.2Confident95.6Very high51 Ų5154.8 Ų54.831%0.31330%0.296SS..PPolyproline II helixtrans-69168.9-179.369.60000111.6R171 N172 D175R171-T177 WeakPolarHBondContact CD-O 3.43Å; R171-T177 WeakPolarHBondContact CG-O 3.29Å; R171-T177 PolarHBondContact NE-O 3.45Å; N172-T177 HydrophobicContact CB-CG2 3.86Å; N172-T177 PolarHBondContact N-OG1 3.13Å; N172-T177 PolarHBondContact O-N 2.9Å; D175-T177 VanDerWaalsContact C-N 3.27Å; D175-T177 HydrophobicContact CB-CG2 4.07Å; D175-T177 PolarHBondContact O-N 2.97Å
178E93.9Very high95.4Very high168 Ų16856.8 Ų56.879%0.78531%0.306SS*.PPolyproline II helixtrans-77.4169.4165.6-64.6-176.317200111.2
179D96.4Very high95.3Very high109 Ų10957.6 Ų57.658%0.58331%0.312SS*.PPolyproline II helixtrans-68.1128.7173.5-71.7-0.2000109.9V169 R171V169-D179 HydrophobicContact CG1-CB 3.97Å; R171-D179 WeakPolarHBondContact CB-OD1 3.45Å; R171-D179 WeakPolarHBondContact CD-OD1 3.46Å
180V97.1Very high95.2Very high55 Ų5559.2 Ų59.233%0.33332%0.322SS..EExtended strand (participates in β ladder)trans-112.5120176.7-171.30000108.7V169 F170 V182V169-V180 CarbonylContact C-O 3.59Å; V169-V180 VanDerWaalsContact CA-O 3.3Å; V169-V180 WeakPolarHBondContact CA-O 3.32Å; F170-V180 HydrophobicContact CD1-CB 4.26Å; F170-V180 HydrophobicContact CE1-CB 3.81Å; F170-V180 HydrophobicContact CE1-CG1 3.99Å; F170-V180 HydrophobicContact CZ-CB 3.99Å; F170-V180 HydrophobicContact CZ-CG1 4.22Å; F170-V180 HydrophobicContact CZ-CG2 4.41Å; F170-V180 PolarHBondContact N-O 3.12Å; F170-V180 PolarHBondContact O-N 3.22Å; V180-V182 HydrophobicContact CG1-CG2 3.68Å
181E98.2Very high95Very high130 Ų13067.5 Ų67.561%0.60737%0.366SS*.EExtended strand (participates in β ladder)trans-98.6125.3172.3-172.3166.5149.600110.3T167 I168 V169T167-E181 HydrophobicContact CG2-CG 4.07Å; I168-E181 WeakPolarHBondContact O-CA 3.35Å; V169-E181 HydrophobicContact CG2-CB 3.98Å; V169-E181 HydrophobicContact CG2-CG 3.83Å
182V98.3Very high94.9Very high25 Ų2567.8 Ų67.815%0.15238%0.378CS..EExtended strand (participates in β ladder)trans-139.9135.4-178.4-172.60000110.1T167 I168 F170 V180 Y184 P190 V193T167-V182 WeakPolarHBondContact CA-O 3.33Å; I168-V182 PolarHBondContact N-O 3.27Å; I168-V182 PolarHBondContact O-N 3.42Å; F170-V182 HydrophobicContact CE1-CG2 4.26Å; V180-V182 HydrophobicContact CG1-CG2 3.68Å; V182-Y184 HydrophobicContact CG1-CD1 4.17Å; V182-P190 HydrophobicContact CG1-CG 3.93Å; V182-V193 HydrophobicContact CB-CG2 4.14Å; V182-V193 HydrophobicContact CG1-CG2 4.1Å; V182-V193 HydrophobicContact CG2-CG2 4.08Å
183T98.5Very high94.9Very high72 Ų7267.4 Ų67.444%0.44238%0.376SS..EExtended strand (participates in β ladder)trans-105.7128167-58.90000109.5E165 A166 T167E165-T183 HydrophobicContact CG-CG2 3.42Å; E165-T183 VanDerWaalsContact CG-CG2 3.42Å; A166-T183 CarbonylContact O-C 3.56Å; A166-T183 VanDerWaalsContact O-CA 3.27Å; A166-T183 WeakPolarHBondContact O-CA 3.14Å; T167-T183 PolarHBondContact OG1-OG1 3.41Å
184Y97.7Very high95Very high14 Ų1465.8 Ų65.86%0.05537%0.369CS..EExtended strand (participates in β ladder)trans-153.4170.1-179.469-81.3000112.3E165 A166 I168 V182 P189 V193 D198 L201E165-Y184 CarbonylContact C-O 3.55Å; E165-Y184 WeakPolarHBondContact CA-O 3.41Å; A166-Y184 PolarHBondContact N-O 3.13Å; A166-Y184 PolarHBondContact O-N 2.69Å; I168-Y184 HydrophobicContact CD1-CE1 3.71Å; I168-Y184 HydrophobicContact CG1-CE1 3.92Å; I168-Y184 HydrophobicContact CG2-CE1 4.43Å; V182-Y184 HydrophobicContact CG1-CD1 4.17Å; Y184-P189 VanDerWaalsContact CD2-CA 3.48Å; Y184-P189 HydrophobicContact CD2-CB 4.05Å; Y184-P189 HydrophobicContact CE2-CB 3.77Å; Y184-V193 HydrophobicContact CE1-CG1 4.26Å; Y184-V193 HydrophobicContact CE1-CG2 4.47Å; Y184-D198 WeakPolarHBondContact CE2-OD1 3.43Å; Y184-L201 WeakPolarHBondContact OH-CD2 3.44Å
185C96.2Very high95.2Very high36 Ų3669.5 Ų69.524%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-82.1115.8175.6-177.10000109.9G163 G187 D188G163-C185 VanDerWaalsContact CA-SG 3.54Å; C185-G187 PolarHBondContact O-N 3.08Å; C185-D188 HydrophobicContact CB-CB 4.41Å; C185-D188 CarbonylContact O-C 3.36Å; C185-D188 WeakPolarHBondContact O-CA 3.29Å; C185-D188 PolarHBondContact O-N 3.32Å
186V97.6Very high95.5Very high0 Ų066.7 Ų66.70%037%0.365CS..THydrogen-bonded Turntrans-56129.1179.91760000110.5P160 A162 G163 A164 A166 D198 L201 R202 F268P160-V186 HydrophobicContact CB-CG1 4.49Å; P160-V186 HydrophobicContact CB-CG2 3.87Å; A162-V186 CarbonylContact C-O 3.59Å; A162-V186 WeakPolarHBondContact CA-O 3.37Å; G163-V186 PolarHBondContact N-O 3.42Å; A164-V186 WeakPolarHBondContact O-CG2 3.33Å; A164-V186 PolarHBondContact O-N 3.2Å; A166-V186 HydrophobicContact CB-CG2 3.54Å; V186-D198 WeakPolarHBondContact CA-OD1 3.36Å; V186-L201 HydrophobicContact CG2-CD2 3.71Å; V186-R202 HydrophobicContact CG1-CG 4.19Å; V186-F268 WeakPolarHBondContact O-CZ 3.35Å
187G96.1Very high96Very high4 Ų462.4 Ų62.44%0.04134%0.335CS..THydrogen-bonded Turntrans89.9-3.7-170.300000115C185 D198 F268 K273 S276C185-G187 PolarHBondContact O-N 3.08Å; G187-D198 PolarHBondContact N-OD1 3.37Å; G187-D198 PolarHBondContact N-OD2 2.85Å; G187-F268 VanDerWaalsContact C-CE1 3.44Å; G187-F268 WeakPolarHBondContact O-CE1 3.44Å; G187-K273 VanDerWaalsContact O-CD 3.27Å; G187-K273 WeakPolarHBondContact O-CD 3.23Å; G187-S276 VanDerWaalsContact CA-OG 3.28Å; G187-S276 WeakPolarHBondContact CA-OG 3.33Å; G187-S276 PolarHBondContact O-OG 3.4Å
188D95.6Very high96.5Very high62 Ų6260.6 Ų60.633%0.33232%0.324SS..BIsolated β-bridgetrans-135.761.2172.1-174.126.8000110.9C185 F268 K273C185-D188 HydrophobicContact CB-CB 4.41Å; C185-D188 CarbonylContact O-C 3.36Å; C185-D188 WeakPolarHBondContact O-CA 3.29Å; C185-D188 PolarHBondContact O-N 3.32Å; D188-F268 HydrophobicContact CB-CD1 4.32Å; D188-F268 HydrophobicContact CB-CE1 3.7Å; D188-K273 HydrophobicContact CB-CD 4.45Å; D188-K273 IonicContact OD1-NZ 2.62Å; D188-K273 PolarHBondContact OD1-NZ 2.77Å
189P95.8Very high96.6Very high17 Ų1754.8 Ų54.811%0.1130%0.297CS..  trans-64.1142.7175.527-33.9000111.1Y184 V193 E195 D198Y184-P189 VanDerWaalsContact CD2-CA 3.48Å; Y184-P189 HydrophobicContact CD2-CB 4.05Å; Y184-P189 HydrophobicContact CE2-CB 3.77Å; P189-V193 HydrophobicContact CB-CB 3.91Å; P189-V193 HydrophobicContact CB-CG1 3.92Å; P189-E195 HydrophobicContact CG-CG 4.47Å; P189-D198 HydrophobicContact CB-CB 4.4Å; P189-D198 HydrophobicContact CG-CB 3.99Å
190P96Very high96.7Very high50 Ų5049.6 Ų49.633%0.32527%0.269SS..  trans-66.8161.4168.630.2-34.7000110.3V182 T192 V193V182-P190 HydrophobicContact CG1-CG 3.93Å; P190-T192 PolarHBondContact O-N 2.58Å; P190-V193 HydrophobicContact CG-CB 4.38Å; P190-V193 HydrophobicContact CG-CG2 3.9Å; P190-V193 PolarHBondContact O-N 3.2Å
191L94.7Very high96.7Very high187 Ų18747 Ų4798%0.97925%0.253SS*.THydrogen-bonded Turntrans-56-21.6-178.6-66.6174.6000114.6V193L191-V193 VanDerWaalsContact C-N 3.3Å
192T93.9Very high96.6Very high97 Ų9742.8 Ų42.860%0.59523%0.232SC*.THydrogen-bonded Turntrans-74.2-20.7176.648.80000113.2F170 P190F170-T192 WeakPolarHBondContact CZ-O 3.47Å; P190-T192 PolarHBondContact O-N 2.58Å
193V97.1Very high96.5Very high5 Ų545.2 Ų45.23%0.0324%0.241CC..SBendtrans-103.5117.3-179.1177.40000108.6I168 F170 V182 Y184 P189 P190 L191 L197I168-V193 HydrophobicContact CD1-CG1 3.99Å; F170-V193 HydrophobicContact CE1-CG2 3.89Å; F170-V193 HydrophobicContact CZ-CG2 4.31Å; V182-V193 HydrophobicContact CB-CG2 4.14Å; V182-V193 HydrophobicContact CG1-CG2 4.1Å; V182-V193 HydrophobicContact CG2-CG2 4.08Å; Y184-V193 HydrophobicContact CE1-CG1 4.26Å; Y184-V193 HydrophobicContact CE1-CG2 4.47Å; P189-V193 HydrophobicContact CB-CB 3.91Å; P189-V193 HydrophobicContact CB-CG1 3.92Å; P190-V193 HydrophobicContact CG-CB 4.38Å; P190-V193 HydrophobicContact CG-CG2 3.9Å; P190-V193 PolarHBondContact O-N 3.2Å; L191-V193 VanDerWaalsContact C-N 3.3Å; V193-L197 HydrophobicContact CG1-CB 4.37Å
194P95.9Very high96.4Very high27 Ų2741.8 Ų41.818%0.17522%0.22CC..  trans-57.2138.3174-21.930.6000112E196 L197 Y232P194-E196 WeakPolarHBondContact CB-OE2 3.49Å; P194-E196 PolarHBondContact O-N 3.5Å; P194-E196 VanDerWaalsContact O-N 3.17Å; P194-L197 HydrophobicContact CB-CG 4.22Å; P194-L197 HydrophobicContact CG-CD1 4.22Å; P194-L197 HydrophobicContact CG-CG 4.3Å; P194-L197 WeakPolarHBondContact O-CB 3.42Å; P194-L197 PolarHBondContact O-N 3.11Å; P194-Y232 HydrophobicContact CG-CE1 3.98Å; P194-Y232 WeakPolarHBondContact CG-OH 3.46Å
195E95.1Very high96.4Very high147 Ų14741.6 Ų41.669%0.68722%0.221SC*.Hα-helixtrans-60.2-28.3-179.3-68.4-175167.600112.2P189 L197 D198 Q199P189-E195 HydrophobicContact CG-CG 4.47Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.11Å; E195-D198 WeakPolarHBondContact O-CB 3.5Å; E195-D198 PolarHBondContact O-N 2.89Å; E195-Q199 PolarHBondContact O-N 3.34Å
196E96.3Very high96.5Very high55 Ų5540.3 Ų40.326%0.25721%0.212SC..Hα-helixtrans-66.5-29.6177-58.787.6174.100112.4I146 P194 Q199 C200 V214I146-E196 HydrophobicContact CD1-CB 3.65Å; I146-E196 HydrophobicContact CD1-CG 3.74Å; I146-E196 HydrophobicContact CG1-CB 3.93Å; I146-E196 HydrophobicContact CG1-CG 3.97Å; P194-E196 WeakPolarHBondContact CB-OE2 3.49Å; P194-E196 PolarHBondContact O-N 3.5Å; P194-E196 VanDerWaalsContact O-N 3.17Å; E196-Q199 PolarHBondContact O-N 3.45Å; E196-C200 WeakPolarHBondContact O-CB 3.36Å; E196-C200 PolarHBondContact O-N 2.95Å; E196-V214 HydrophobicContact CB-CG1 4.23Å; E196-V214 HydrophobicContact CB-CG2 3.68Å; E196-V214 HydrophobicContact CG-CG1 3.71Å; E196-V214 HydrophobicContact CG-CG2 4.13Å
197L97.9Very high96.5Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-73.7-36.9174.1-58.6-169.6000111.5F170 V193 P194 E195 Q199 C200 L201 V212 Y232 L234F170-L197 HydrophobicContact CB-CD1 3.83Å; F170-L197 HydrophobicContact CD1-CD1 4.32Å; F170-L197 HydrophobicContact CD2-CD1 3.44Å; F170-L197 VanDerWaalsContact CD2-CD1 3.44Å; F170-L197 HydrophobicContact CE2-CD1 4.06Å; F170-L197 HydrophobicContact CG-CD1 3.59Å; V193-L197 HydrophobicContact CG1-CB 4.37Å; P194-L197 HydrophobicContact CB-CG 4.22Å; P194-L197 HydrophobicContact CG-CD1 4.22Å; P194-L197 HydrophobicContact CG-CG 4.3Å; P194-L197 WeakPolarHBondContact O-CB 3.42Å; P194-L197 PolarHBondContact O-N 3.11Å; E195-L197 VanDerWaalsContact C-N 3.27Å; E195-L197 PolarHBondContact O-N 3.11Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.45Å; L197-C200 PolarHBondContact O-N 2.94Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 2.92Å; L197-V212 HydrophobicContact CD2-CB 4.18Å; L197-V212 HydrophobicContact CD2-CG1 4.07Å; L197-V212 HydrophobicContact CD2-CG2 4.38Å; L197-Y232 HydrophobicContact CD1-CD1 4.04Å; L197-Y232 HydrophobicContact CD1-CE1 4.41Å; L197-Y232 HydrophobicContact CD1-CG 4.26Å; L197-Y232 HydrophobicContact CD2-CD1 4.45Å; L197-Y232 HydrophobicContact CD2-CD2 3.91Å; L197-Y232 HydrophobicContact CD2-CG 3.86Å; L197-L234 HydrophobicContact CB-CD2 4.4Å; L197-L234 HydrophobicContact CD2-CD2 4.31Å
198D97.6Very high96.6Very high12 Ų1243.4 Ų43.46%0.06423%0.227CC..Hα-helixtrans-60.5-40.9170.4179.883.4000111.2Y184 V186 G187 P189 E195 L201 R202Y184-D198 WeakPolarHBondContact CE2-OD1 3.43Å; V186-D198 WeakPolarHBondContact CA-OD1 3.36Å; G187-D198 PolarHBondContact N-OD1 3.37Å; G187-D198 PolarHBondContact N-OD2 2.85Å; P189-D198 HydrophobicContact CB-CB 4.4Å; P189-D198 HydrophobicContact CG-CB 3.99Å; E195-D198 WeakPolarHBondContact O-CB 3.5Å; E195-D198 PolarHBondContact O-N 2.89Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 3.33Å; D198-R202 PolarHBondContact O-NE 3.5Å; D198-R202 IonicContact OD2-CZ 2.97Å; D198-R202 IonicContact OD2-NE 3.57Å; D198-R202 PolarHBondContact OD2-NE 3.14Å; D198-R202 IonicContact OD2-NH2 2.69Å; D198-R202 PolarHBondContact OD2-NH2 3.44Å
199Q96.6Very high96.7Very high47 Ų4742.2 Ų42.222%0.2222%0.219CC..Hα-helixtrans-64.8-46.4175.8-179.8147.910700112.1V138 S139 I146 E195 E196 L197 L201 R202 H203V138-Q199 WeakPolarHBondContact O-CG 3.15Å; S139-Q199 VanDerWaalsContact CA-OE1 3.3Å; I146-Q199 HydrophobicContact CD1-CB 4.08Å; I146-Q199 HydrophobicContact CD1-CG 3.98Å; E195-Q199 PolarHBondContact O-N 3.34Å; E196-Q199 PolarHBondContact O-N 3.45Å; L197-Q199 VanDerWaalsContact C-N 3.29Å; L197-Q199 PolarHBondContact O-N 3.45Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.89Å; Q199-R202 PolarHBondContact O-N 2.81Å; Q199-H203 PolarHBondContact O-CD2 2.93Å
200C98Very high96.8Very high0 Ų041.4 Ų41.40%021%0.214CC..Hα-helixtrans-61.8-40.5177.5-177.30000112V138 I146 E196 L197 R202 H203 V212 L234V138-C200 HydrophobicContact CG2-CB 4.21Å; I146-C200 HydrophobicContact CG2-CB 4.4Å; E196-C200 WeakPolarHBondContact O-CB 3.36Å; E196-C200 PolarHBondContact O-N 2.95Å; L197-C200 PolarHBondContact O-N 2.94Å; C200-R202 PolarHBondContact O-N 2.93Å; C200-R202 VanDerWaalsContact O-N 3.14Å; C200-H203 WeakPolarHBondContact O-CB 3.47Å; C200-H203 PolarHBondContact O-N 2.86Å; C200-V212 HydrophobicContact CB-CG1 4.16Å; C200-V212 HydrophobicContact CB-CG2 4.3Å; C200-V212 WeakPolarHBondContact SG-CG2 3.16Å; C200-L234 HydrophobicContact CB-CD2 4.29Å
201L97.1Very high96.9Very high0 Ų040.7 Ų40.70%020%0.204CC..Hα-helixtrans-54.9-33.9-177.7177.365000112.9P160 A166 I168 Y184 V186 L197 D198 Q199 H203 M204 L236P160-L201 HydrophobicContact CB-CD2 4.43Å; P160-L201 HydrophobicContact CB-CG 4.15Å; P160-L201 WeakPolarHBondContact CD-O 3.36Å; P160-L201 HydrophobicContact CG-CD1 3.94Å; P160-L201 HydrophobicContact CG-CD2 4.46Å; P160-L201 HydrophobicContact CG-CG 3.87Å; A166-L201 HydrophobicContact CB-CD2 3.9Å; I168-L201 HydrophobicContact CG2-CD1 3.65Å; I168-L201 HydrophobicContact CG2-CD2 3.9Å; I168-L201 HydrophobicContact CG2-CG 4.38Å; Y184-L201 WeakPolarHBondContact OH-CD2 3.44Å; V186-L201 HydrophobicContact CG2-CD2 3.71Å; L197-L201 WeakPolarHBondContact O-CB 3.43Å; L197-L201 PolarHBondContact O-N 2.92Å; D198-L201 WeakPolarHBondContact O-CB 3.47Å; D198-L201 PolarHBondContact O-N 3.33Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 2.89Å; L201-H203 PolarHBondContact O-N 3.48Å; L201-H203 VanDerWaalsContact O-N 3.07Å; L201-M204 PolarHBondContact O-N 2.7Å; L201-L236 HydrophobicContact CD1-CB 3.94Å; L201-L236 HydrophobicContact CD1-CD1 3.58Å; L201-L236 HydrophobicContact CD1-CD2 3.76Å; L201-L236 HydrophobicContact CD1-CG 3.93Å
202R96.1Very high97Very high42 Ų4231.8 Ų31.816%0.15816%0.158CC..THydrogen-bonded Turntrans-66.3-8.4177.9-62.5159.6-174.6-98.79.1114.1N159 V186 D198 Q199 C200 S276 E279N159-R202 WeakPolarHBondContact CB-O 3.46Å; N159-R202 PolarHBondContact ND2-O 2.81Å; N159-R202 VanDerWaalsContact ND2-O 3.11Å; V186-R202 HydrophobicContact CG1-CG 4.19Å; D198-R202 PolarHBondContact O-NE 3.5Å; D198-R202 IonicContact OD2-CZ 2.97Å; D198-R202 IonicContact OD2-NE 3.57Å; D198-R202 PolarHBondContact OD2-NE 3.14Å; D198-R202 IonicContact OD2-NH2 2.69Å; D198-R202 PolarHBondContact OD2-NH2 3.44Å; Q199-R202 PolarHBondContact O-N 2.81Å; C200-R202 PolarHBondContact O-N 2.93Å; C200-R202 VanDerWaalsContact O-N 3.14Å; R202-S276 PolarHBondContact NH2-OG 3.45Å; R202-E279 IonicContact CZ-OE2 3.42Å; R202-E279 VanDerWaalsContact NH1-CD 3.33Å; R202-E279 IonicContact NH1-OE1 2.61Å; R202-E279 PolarHBondContact NH1-OE1 3.27Å; R202-E279 IonicContact NH1-OE2 3.2Å; R202-E279 PolarHBondContact NH1-OE2 2.93Å
203H96.4Very high97.1Very high76 Ų7628.7 Ų28.735%0.35214%0.139SC..THydrogen-bonded Turntrans-112.66.8176.8-62.5-77.4000112.5V138 K148 Q199 C200 L201V138-H203 HydrophobicContact CB-CB 4.43Å; V138-H203 HydrophobicContact CG1-CB 3.8Å; K148-H203 PolarHBondContact NZ-O 3.46Å; Q199-H203 PolarHBondContact O-CD2 2.93Å; C200-H203 WeakPolarHBondContact O-CB 3.47Å; C200-H203 PolarHBondContact O-N 2.86Å; L201-H203 PolarHBondContact O-N 3.48Å; L201-H203 VanDerWaalsContact O-N 3.07Å
204M97.7Very high97Very high0 Ų028.7 Ų28.70%014%0.139CC..  trans-107.4150.1-179-62.3-178.766.300111.2K148 N159 P160 L201 E208 C210 L234 L236K148-M204 HydrophobicContact CD-CG 3.91Å; N159-M204 WeakPolarHBondContact CA-O 3.47Å; N159-M204 PolarHBondContact OD1-O 2.91Å; P160-M204 WeakPolarHBondContact CD-O 3.4Å; L201-M204 PolarHBondContact O-N 2.7Å; M204-E208 WeakPolarHBondContact CA-OE2 3.4Å; M204-E208 HydrophobicContact CB-CB 4.45Å; M204-E208 HydrophobicContact CE-CB 4.02Å; M204-E208 HydrophobicContact CE-CG 4.12Å; M204-E208 VanDerWaalsContact CE-O 3.29Å; M204-E208 WeakPolarHBondContact CE-O 3.38Å; M204-E208 WeakPolarHBondContact CG-OE1 3.33Å; M204-C210 HydrophobicContact CE-CB 4.1Å; M204-L234 HydrophobicContact CE-CD2 4.44Å; M204-L234 HydrophobicContact CE-CG 4.13Å; M204-L234 HydrophobicContact SD-CD2 3.43Å; M204-L234 WeakPolarHBondContact SD-CD2 3.48Å; M204-L234 HydrophobicContact SD-CG 3.75Å; M204-L236 HydrophobicContact CB-CB 4.2Å; M204-L236 HydrophobicContact CB-CD2 3.9Å; M204-L236 HydrophobicContact CE-CB 4.03Å; M204-L236 WeakPolarHBondContact O-CD2 3.21Å
205S96.9Very high96.8Very high10 Ų1029 Ų297%0.0714%0.142CC..  trans-107.8170.9167.972.40000113G154 D156 Y158 D207 E208G154-S205 VanDerWaalsContact CA-OG 3.3Å; G154-S205 WeakPolarHBondContact CA-OG 3.42Å; D156-S205 WeakPolarHBondContact O-CB 3.5Å; D156-S205 PolarHBondContact O-OG 2.77Å; Y158-S205 WeakPolarHBondContact O-CA 3.22Å; Y158-S205 WeakPolarHBondContact O-CB 3.14Å; S205-D207 PolarHBondContact O-N 2.93Å; S205-E208 PolarHBondContact N-OE2 3.39Å; S205-E208 WeakPolarHBondContact O-CB 3.21Å; S205-E208 PolarHBondContact O-N 3.49Å; S205-E208 VanDerWaalsContact O-N 3.12Å
206T98.1Very high96Very high9 Ų928.5 Ų28.56%0.05514%0.137CC..THydrogen-bonded Turntrans-58.3137.6-173.7-44.30000112G154 K155 D156 E208 K237 F239G154-T206 CarbonylContact C-O 3.59Å; G154-T206 WeakPolarHBondContact CA-O 3.26Å; K155-T206 HydrophobicContact CD-CG2 4.48Å; K155-T206 PolarHBondContact N-O 2.96Å; D156-T206 WeakPolarHBondContact OD2-CB 3.43Å; D156-T206 PolarHBondContact OD2-OG1 2.8Å; T206-E208 PolarHBondContact O-N 3.36Å; T206-K237 VanDerWaalsContact CG2-O 3.23Å; T206-K237 WeakPolarHBondContact CG2-O 3.43Å; T206-F239 WeakPolarHBondContact OG1-CE1 3.48Å
207D98.1Very high94.8Very high57 Ų5730.4 Ų30.431%0.30515%0.149SC..THydrogen-bonded Turntrans64.42.8-175.5-61.1-35.2000116.3R152 K155 S205 F209 L236R152-D207 PolarHBondContact NE-O 3.33Å; R152-D207 PolarHBondContact NH2-O 3.18Å; R152-D207 VanDerWaalsContact NH2-O 3.1Å; K155-D207 VanDerWaalsContact CD-OD2 3.26Å; K155-D207 WeakPolarHBondContact CD-OD2 3.47Å; K155-D207 VanDerWaalsContact CE-OD2 3.29Å; K155-D207 WeakPolarHBondContact CE-OD2 3.42Å; K155-D207 IonicContact NZ-OD1 2.79Å; K155-D207 IonicContact NZ-OD2 3.48Å; K155-D207 PolarHBondContact NZ-OD2 3.02Å; S205-D207 PolarHBondContact O-N 2.93Å; D207-F209 PolarHBondContact O-N 3.34Å; D207-L236 VanDerWaalsContact CA-O 3.29Å; D207-L236 WeakPolarHBondContact CA-O 3.38Å; D207-L236 PolarHBondContact N-O 3.46Å
208E98.3Very high93Very high11 Ų1137 Ų375%0.05118%0.178CC..  trans-60.8133.5173.3-170-180129.300110.1K148 I150 R152 M204 S205 T206 C210 T235 L236K148-E208 IonicContact NZ-OE1 3.76Å; K148-E208 PolarHBondContact NZ-OE1 2.8Å; K148-E208 IonicContact NZ-OE2 3.18Å; I150-E208 HydrophobicContact CG2-CG 4.23Å; R152-E208 WeakPolarHBondContact O-CA 3.4Å; R152-E208 WeakPolarHBondContact O-CG 3.44Å; M204-E208 WeakPolarHBondContact CA-OE2 3.4Å; M204-E208 HydrophobicContact CB-CB 4.45Å; M204-E208 HydrophobicContact CE-CB 4.02Å; M204-E208 HydrophobicContact CE-CG 4.12Å; M204-E208 VanDerWaalsContact CE-O 3.29Å; M204-E208 WeakPolarHBondContact CE-O 3.38Å; M204-E208 WeakPolarHBondContact CG-OE1 3.33Å; S205-E208 PolarHBondContact N-OE2 3.39Å; S205-E208 WeakPolarHBondContact O-CB 3.21Å; S205-E208 PolarHBondContact O-N 3.49Å; S205-E208 VanDerWaalsContact O-N 3.12Å; T206-E208 PolarHBondContact O-N 3.36Å; E208-C210 PolarHBondContact OE1-SG 2.91Å; E208-T235 WeakPolarHBondContact O-CA 3.31Å; E208-L236 PolarHBondContact O-N 2.99Å; E208-L236 VanDerWaalsContact O-N 3.13Å
209F98.1Very high90.7Very high38 Ų3844.6 Ų44.617%0.16722%0.218CC..EExtended strand (participates in β ladder)trans-119.7123.4175175.1-121.9000109.5I151 R152 D207 E233 L234 T235I151-F209 WeakPolarHBondContact CA-O 3.28Å; I151-F209 HydrophobicContact CB-CD1 3.66Å; I151-F209 HydrophobicContact CB-CE1 4.04Å; I151-F209 WeakPolarHBondContact CB-O 3.3Å; I151-F209 HydrophobicContact CD1-CD1 4.11Å; I151-F209 HydrophobicContact CD1-CE1 3.68Å; I151-F209 HydrophobicContact CD1-CZ 4.25Å; I151-F209 HydrophobicContact CG1-CD1 4.47Å; I151-F209 HydrophobicContact CG1-CE1 4.47Å; I151-F209 HydrophobicContact CG2-CD1 3.65Å; I151-F209 HydrophobicContact CG2-CE1 3.82Å; I151-F209 PolarHBondContact N-O 2.77Å; R152-F209 HydrophobicContact CB-CB 3.98Å; R152-F209 PolarHBondContact N-O 2.87Å; R152-F209 PolarHBondContact O-N 3.48Å; D207-F209 PolarHBondContact O-N 3.34Å; F209-E233 HydrophobicContact CE2-CB 3.8Å; F209-E233 HydrophobicContact CE2-CG 3.97Å; F209-E233 HydrophobicContact CZ-CB 4.1Å; F209-E233 HydrophobicContact CZ-CG 3.74Å; F209-L234 WeakPolarHBondContact CA-O 2.99Å; F209-T235 VanDerWaalsContact CD2-OG1 3.28Å; F209-T235 WeakPolarHBondContact CD2-OG1 3.35Å
210C97.8Very high88.3Confident0 Ų044 Ų440%022%0.219CC..EExtended strand (participates in β ladder)trans-132.3151.2-170.7-76.40000112K148 S149 M204 E208 E233 L234K148-C210 HydrophobicContact CD-CB 4.31Å; K148-C210 HydrophobicContact CG-CB 3.82Å; S149-C210 CarbonylContact O-C 3.55Å; S149-C210 VanDerWaalsContact O-CA 3.25Å; S149-C210 WeakPolarHBondContact O-CA 3.11Å; S149-C210 WeakPolarHBondContact O-CB 3.43Å; M204-C210 HydrophobicContact CE-CB 4.1Å; E208-C210 PolarHBondContact OE1-SG 2.91Å; C210-E233 WeakPolarHBondContact O-CA 3.2Å; C210-L234 PolarHBondContact N-O 3.04Å; C210-L234 PolarHBondContact O-N 3.43Å
211R97.1Very high85.9Confident34 Ų3447.5 Ų47.513%0.12825%0.248CC..EExtended strand (participates in β ladder)trans-92.8127.5159.9-178.4177.461.2-118-4.4108.3D52 S149 I151 V213 V231 Y232D52-R211 IonicContact OD2-NH2 2.85Å; S149-R211 PolarHBondContact N-O 2.87Å; S149-R211 PolarHBondContact O-N 2.92Å; S149-R211 PolarHBondContact OG-NH2 3.43Å; I151-R211 HydrophobicContact CD1-CB 3.98Å; R211-V213 HydrophobicContact CG-CG2 4.49Å; R211-V231 HydrophobicContact CG-CG1 3.73Å; R211-Y232 CarbonylContact C-O 3.44Å; R211-Y232 WeakPolarHBondContact CA-O 3.31Å
212V97.4Very high83.6Confident0 Ų051.9 Ų51.90%028%0.284CS..EExtended strand (participates in β ladder)trans-114.2122.4178.5-1730000108.6I146 R147 L197 C200 V214 V231 Y232 L234I146-V212 HydrophobicContact CG2-CG1 3.84Å; R147-V212 CarbonylContact O-C 3.59Å; R147-V212 WeakPolarHBondContact O-CA 3.42Å; L197-V212 HydrophobicContact CD2-CB 4.18Å; L197-V212 HydrophobicContact CD2-CG1 4.07Å; L197-V212 HydrophobicContact CD2-CG2 4.38Å; C200-V212 HydrophobicContact CB-CG1 4.16Å; C200-V212 HydrophobicContact CB-CG2 4.3Å; C200-V212 WeakPolarHBondContact SG-CG2 3.16Å; V212-V214 HydrophobicContact CG1-CG2 4.29Å; V212-V231 CarbonylContact O-C 3.48Å; V212-V231 WeakPolarHBondContact O-CA 3.23Å; V212-Y232 PolarHBondContact N-O 3.35Å; V212-Y232 PolarHBondContact O-N 2.79Å; V212-L234 HydrophobicContact CG2-CB 3.95Å; V212-L234 HydrophobicContact CG2-CD2 4.06Å
213V95.2Very high81.1Confident33 Ų3358.4 Ų58.420%0.232%0.317CS..EExtended strand (participates in β ladder)trans-108.3122.3176.7-177.70000108.4I146 R147 R211 R229 V231I146-V213 WeakPolarHBondContact CA-O 3.49Å; R147-V213 PolarHBondContact N-O 2.94Å; R147-V213 PolarHBondContact O-N 3.18Å; R211-V213 HydrophobicContact CG-CG2 4.49Å; V213-R229 HydrophobicContact CG1-CG 4.48Å; V213-V231 HydrophobicContact CG2-CG1 4.41Å; V213-V231 HydrophobicContact CG2-CG2 4.38Å
214V95.2Very high78.6Confident4 Ų458.6 Ų58.62%0.02432%0.323CS..EExtended strand (participates in β ladder)trans-111.1124.6179.1179.50000109.5S145 E196 V212 K216 R229 V230 Y232S145-V214 CarbonylContact O-C 3.55Å; S145-V214 WeakPolarHBondContact O-CA 3.01Å; E196-V214 HydrophobicContact CB-CG1 4.23Å; E196-V214 HydrophobicContact CB-CG2 3.68Å; E196-V214 HydrophobicContact CG-CG1 3.71Å; E196-V214 HydrophobicContact CG-CG2 4.13Å; V212-V214 HydrophobicContact CG1-CG2 4.29Å; V214-K216 HydrophobicContact CG1-CG 4.46Å; V214-R229 WeakPolarHBondContact O-CA 2.96Å; V214-V230 PolarHBondContact N-O 3.02Å; V214-V230 PolarHBondContact O-N 3.07Å; V214-Y232 HydrophobicContact CG2-CD2 4.21Å; V214-Y232 HydrophobicContact CG2-CE2 4.07Å
215C91.5Very high76.3Confident35 Ų3559.5 Ų59.524%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-109.9111.8177.3-63.20000109.7S145S145-C215 PolarHBondContact O-N 3.49Å
216K79.1Confident74.4Confident135 Ų13563.9 Ų63.959%0.58735%0.353SS*.  trans-81.9-29.8-176.8-65-174.7178.81790113.6V214 S228V214-K216 HydrophobicContact CG1-CG 4.46Å; K216-S228 PolarHBondContact N-O 2.99Å
217D70Confident72.5Confident95 Ų9572.8 Ų72.851%0.50839%0.391SS..  trans-105.4116.5-178.5-73-35.1000112.3
218K59.5Low71.6Confident140 Ų14070.7 Ų70.761%0.60938%0.381SS*.SBendtrans-82.9-25176.3-64.2-178.3176.6-176.90113.9D143D143-K218 VanDerWaalsContact OD2-CE 3.23Å; D143-K218 WeakPolarHBondContact OD2-CE 3.17Å; D143-K218 IonicContact OD2-NZ 2.76Å; D143-K218 PolarHBondContact OD2-NZ 3.22Å
219N51.3Low71.1Confident171 Ų17173.9 Ų73.991%0.91439%0.393SS*.SBendtrans-103.412.5-165.3-80.63.3000114.6
220S46Very low70.9Confident33 Ų3373 Ų7323%0.23139%0.39CS..SBendtrans-103.4139.6-175.1830000110.8V224 A225S220-V224 VanDerWaalsContact CB-CG1 3.46Å; S220-A225 WeakPolarHBondContact OG-CA 3.45Å; S220-A225 PolarHBondContact OG-N 3.21Å; S220-A225 VanDerWaalsContact OG-N 3.13Å
221A46.8Very low70.7Confident75 Ų7574.6 Ų74.662%0.6240%0.4SS*.  trans-53.5153.5174.700000110.1E223 V224 A225A221-E223 PolarHBondContact O-N 3.14Å; A221-V224 WeakPolarHBondContact O-CA 3.39Å; A221-V224 PolarHBondContact O-N 2.8Å; A221-A225 PolarHBondContact O-N 3.08Å
222A49.7Very low70.8Confident91 Ų9173.8 Ų73.875%0.75240%0.397SS*.Hα-helixtrans-47.9-30.7-174.200000114.8
223E42.6Very low70.8Confident180 Ų18076.5 Ų76.584%0.84141%0.41SS*.Hα-helixtrans-74-28.5175.8-68.6-177.9160.100114.5A221A221-E223 PolarHBondContact O-N 3.14Å
224V43.4Very low70.9Confident79 Ų7975 Ų7548%0.47940%0.4SS..Hα-helixtrans-87.4-26.7175.1-177.20000110.8S220 A221 D226 K227S220-V224 VanDerWaalsContact CB-CG1 3.46Å; A221-V224 WeakPolarHBondContact O-CA 3.39Å; A221-V224 PolarHBondContact O-N 2.8Å; V224-D226 PolarHBondContact O-N 3.4Å; V224-K227 PolarHBondContact O-N 2.62Å
225A49.4Very low71.1Confident19 Ų1975.7 Ų75.716%0.15741%0.405CS..Hα-helixtrans-56-34.9177.400000111.9S220 A221 K227 S228 R229S220-A225 WeakPolarHBondContact OG-CA 3.45Å; S220-A225 PolarHBondContact OG-N 3.21Å; S220-A225 VanDerWaalsContact OG-N 3.13Å; A221-A225 PolarHBondContact O-N 3.08Å; A225-K227 PolarHBondContact O-N 3.03Å; A225-S228 PolarHBondContact O-N 3.45Å; A225-S228 PolarHBondContact O-OG 3.41Å; A225-R229 WeakPolarHBondContact O-CG 3.17Å
226D57.3Low71.4Confident103 Ų10374 Ų7455%0.55139%0.393SS*.G310 helixtrans-66.3-32.2-178.6-155.145.8000113.8V224 S228 R229V224-D226 PolarHBondContact O-N 3.4Å; D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 PolarHBondContact O-N 3.43Å; D226-R229 PolarHBondContact O-N 3.17Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 IonicContact OD1-NE 3.69Å; D226-R229 IonicContact OD1-NH1 2.71Å; D226-R229 PolarHBondContact OD1-NH1 2.7Å
227K57.9Low72.3Confident195 Ų19572.2 Ų72.285%0.84839%0.386SS*.G310 helixtrans-74.7-17.6178-70.9-172.4179.3179.40114.1V224 A225V224-K227 PolarHBondContact O-N 2.62Å; A225-K227 PolarHBondContact O-N 3.03Å
228S78.8Confident73.7Confident14 Ų1470.3 Ų70.310%0.09838%0.379CS..G310 helixtrans-95.8-0.1-179.475.70000113.5K216 A225 D226K216-S228 PolarHBondContact N-O 2.99Å; A225-S228 PolarHBondContact O-N 3.45Å; A225-S228 PolarHBondContact O-OG 3.41Å; D226-S228 VanDerWaalsContact C-N 3.3Å; D226-S228 PolarHBondContact O-N 3.43Å
229R88.5Confident75.5Confident78 Ų7864.9 Ų64.929%0.29436%0.356SS..EExtended strand (participates in β ladder)trans-83.1124.3-176.6-73.2172-175.4179.6-14.7110.8E132 V213 V214 A225 D226E132-R229 IonicContact OE1-NH2 3.98Å; V213-R229 HydrophobicContact CG1-CG 4.48Å; V214-R229 WeakPolarHBondContact O-CA 2.96Å; A225-R229 WeakPolarHBondContact O-CG 3.17Å; D226-R229 PolarHBondContact O-N 3.17Å; D226-R229 IonicContact OD1-CZ 3.39Å; D226-R229 IonicContact OD1-NE 3.69Å; D226-R229 IonicContact OD1-NH1 2.71Å; D226-R229 PolarHBondContact OD1-NH1 2.7Å
230V94.2Very high77.6Confident19 Ų1959.9 Ų59.912%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-109.5127.9168.3-168.40000108.4T174 V214 Y232T174-V230 WeakPolarHBondContact OG1-CA 3.41Å; V214-V230 PolarHBondContact N-O 3.02Å; V214-V230 PolarHBondContact O-N 3.07Å; V230-Y232 HydrophobicContact CB-CE2 3.92Å; V230-Y232 HydrophobicContact CG1-CD2 4.18Å; V230-Y232 HydrophobicContact CG1-CE1 4.31Å; V230-Y232 HydrophobicContact CG1-CE2 3.4Å; V230-Y232 VanDerWaalsContact CG1-CE2 3.4Å; V230-Y232 VanDerWaalsContact CG1-CZ 3.47Å; V230-Y232 WeakPolarHBondContact CG1-OH 3.46Å
231V94.6Very high79.8Confident34 Ų3463.1 Ų63.121%0.20634%0.337CS..EExtended strand (participates in β ladder)trans-110.5129.3-178.5-172.70000109.1L173 T174 R211 V212 V213L173-V231 HydrophobicContact CB-CB 4.32Å; L173-V231 HydrophobicContact CB-CG1 4.42Å; L173-V231 WeakPolarHBondContact CB-O 3.46Å; L173-V231 HydrophobicContact CD1-CG1 4.05Å; L173-V231 PolarHBondContact N-O 2.63Å; T174-V231 PolarHBondContact OG1-N 3.47Å; R211-V231 HydrophobicContact CG-CG1 3.73Å; V212-V231 CarbonylContact O-C 3.48Å; V212-V231 WeakPolarHBondContact O-CA 3.23Å; V213-V231 HydrophobicContact CG2-CG1 4.41Å; V213-V231 HydrophobicContact CG2-CG2 4.38Å
232Y97.5Very high81.7Confident16 Ų1661.8 Ų61.86%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-118.7148.2175.6-59.9-91.6000110.9F170 R171 N172 P194 L197 R211 V212 V214 V230F170-Y232 HydrophobicContact CD2-CD1 4.18Å; R171-Y232 CarbonylContact O-C 3.59Å; R171-Y232 WeakPolarHBondContact O-CA 3.35Å; N172-Y232 HydrophobicContact CB-CD1 3.89Å; N172-Y232 HydrophobicContact CB-CE1 3.68Å; P194-Y232 HydrophobicContact CG-CE1 3.98Å; P194-Y232 WeakPolarHBondContact CG-OH 3.46Å; L197-Y232 HydrophobicContact CD1-CD1 4.04Å; L197-Y232 HydrophobicContact CD1-CE1 4.41Å; L197-Y232 HydrophobicContact CD1-CG 4.26Å; L197-Y232 HydrophobicContact CD2-CD1 4.45Å; L197-Y232 HydrophobicContact CD2-CD2 3.91Å; L197-Y232 HydrophobicContact CD2-CG 3.86Å; R211-Y232 CarbonylContact C-O 3.44Å; R211-Y232 WeakPolarHBondContact CA-O 3.31Å; V212-Y232 PolarHBondContact N-O 3.35Å; V212-Y232 PolarHBondContact O-N 2.79Å; V214-Y232 HydrophobicContact CG2-CD2 4.21Å; V214-Y232 HydrophobicContact CG2-CE2 4.07Å; V230-Y232 HydrophobicContact CB-CE2 3.92Å; V230-Y232 HydrophobicContact CG1-CD2 4.18Å; V230-Y232 HydrophobicContact CG1-CE1 4.31Å; V230-Y232 HydrophobicContact CG1-CE2 3.4Å; V230-Y232 VanDerWaalsContact CG1-CE2 3.4Å; V230-Y232 VanDerWaalsContact CG1-CZ 3.47Å; V230-Y232 WeakPolarHBondContact CG1-OH 3.46Å
233E97.7Very high83.7Confident58 Ų5864 Ų6427%0.27131%0.314SS..EExtended strand (participates in β ladder)trans-96.3133.8155-85.3177.717200108.4F170 R171 L173 F209 C210F170-E233 CarbonylContact C-O 3.57Å; F170-E233 WeakPolarHBondContact CA-O 3.15Å; F170-E233 WeakPolarHBondContact CB-O 3.48Å; R171-E233 PolarHBondContact N-O 3.37Å; R171-E233 PolarHBondContact O-N 2.61Å; L173-E233 HydrophobicContact CD1-CG 3.83Å; L173-E233 HydrophobicContact CD2-CG 4.31Å; L173-E233 HydrophobicContact CG-CG 4.2Å; F209-E233 HydrophobicContact CE2-CB 3.8Å; F209-E233 HydrophobicContact CE2-CG 3.97Å; F209-E233 HydrophobicContact CZ-CB 4.1Å; F209-E233 HydrophobicContact CZ-CG 3.74Å; C210-E233 WeakPolarHBondContact O-CA 3.2Å
234L98.5Very high86.2Confident0 Ų061.2 Ų61.20%030%0.301CS..EExtended strand (participates in β ladder)trans-136127.5-175.6178.762000110I168 F170 L197 C200 M204 F209 C210 V212I168-L234 HydrophobicContact CB-CD1 3.95Å; I168-L234 HydrophobicContact CD1-CD1 3.92Å; I168-L234 HydrophobicContact CG1-CD1 4.42Å; I168-L234 HydrophobicContact CG2-CD1 4.36Å; F170-L234 HydrophobicContact CB-CD1 3.79Å; L197-L234 HydrophobicContact CB-CD2 4.4Å; L197-L234 HydrophobicContact CD2-CD2 4.31Å; C200-L234 HydrophobicContact CB-CD2 4.29Å; M204-L234 HydrophobicContact CE-CD2 4.44Å; M204-L234 HydrophobicContact CE-CG 4.13Å; M204-L234 HydrophobicContact SD-CD2 3.43Å; M204-L234 WeakPolarHBondContact SD-CD2 3.48Å; M204-L234 HydrophobicContact SD-CG 3.75Å; F209-L234 WeakPolarHBondContact CA-O 2.99Å; C210-L234 PolarHBondContact N-O 3.04Å; C210-L234 PolarHBondContact O-N 3.43Å; V212-L234 HydrophobicContact CG2-CB 3.95Å; V212-L234 HydrophobicContact CG2-CD2 4.06Å
235T98.6Very high88.7Confident19 Ų1957.5 Ų57.512%0.11728%0.278CS..EExtended strand (participates in β ladder)trans-115.7128.8171-56.50000109.7I168 V169 E208 F209 K237I168-T235 CarbonylContact C-O 3.53Å; I168-T235 VanDerWaalsContact CA-O 3.28Å; I168-T235 WeakPolarHBondContact CA-O 3.48Å; V169-T235 PolarHBondContact N-O 3.4Å; V169-T235 PolarHBondContact O-N 3.25Å; E208-T235 WeakPolarHBondContact O-CA 3.31Å; F209-T235 VanDerWaalsContact CD2-OG1 3.28Å; F209-T235 WeakPolarHBondContact CD2-OG1 3.35Å; T235-K237 HydrophobicContact CG2-CD 4.36Å; T235-K237 HydrophobicContact CG2-CG 4.48Å
236L98.6Very high90.8Very high0 Ų060.3 Ų60.30%030%0.296CS..EExtended strand (participates in β ladder)trans-89.5106.2166.3171.149000109.3P160 I168 L201 M204 D207 E208 S238 F239P160-L236 HydrophobicContact CG-CD1 4.27Å; P160-L236 HydrophobicContact CG-CD2 3.49Å; P160-L236 VanDerWaalsContact CG-CD2 3.49Å; I168-L236 HydrophobicContact CG2-CD1 4.42Å; L201-L236 HydrophobicContact CD1-CB 3.94Å; L201-L236 HydrophobicContact CD1-CD1 3.58Å; L201-L236 HydrophobicContact CD1-CD2 3.76Å; L201-L236 HydrophobicContact CD1-CG 3.93Å; M204-L236 HydrophobicContact CB-CB 4.2Å; M204-L236 HydrophobicContact CB-CD2 3.9Å; M204-L236 HydrophobicContact CE-CB 4.03Å; M204-L236 WeakPolarHBondContact O-CD2 3.21Å; D207-L236 VanDerWaalsContact CA-O 3.29Å; D207-L236 WeakPolarHBondContact CA-O 3.38Å; D207-L236 PolarHBondContact N-O 3.46Å; E208-L236 PolarHBondContact O-N 2.99Å; E208-L236 VanDerWaalsContact O-N 3.13Å; L236-S238 WeakPolarHBondContact CD1-O 3.47Å; L236-F239 HydrophobicContact CD1-CD1 4.31Å; L236-F239 HydrophobicContact CD2-CD1 3.97Å; L236-F239 HydrophobicContact CD2-CE1 4.26Å; L236-F239 HydrophobicContact CG-CD1 4.43Å
237K98.2Very high92.6Very high98 Ų9858.7 Ų58.743%0.42630%0.304SS..EExtended strand (participates in β ladder)trans-76.6-47.4-178.8-72.8-75.5-170.61710112.2T167 V169 T206 T235T167-K237 HydrophobicContact CG2-CB 4.09Å; T167-K237 HydrophobicContact CG2-CG 4.46Å; T167-K237 WeakPolarHBondContact O-CB 3.35Å; T167-K237 PolarHBondContact O-N 2.86Å; V169-K237 HydrophobicContact CG2-CD 4.41Å; V169-K237 HydrophobicContact CG2-CG 3.88Å; T206-K237 VanDerWaalsContact CG2-O 3.23Å; T206-K237 WeakPolarHBondContact CG2-O 3.43Å; T235-K237 HydrophobicContact CG2-CD 4.36Å; T235-K237 HydrophobicContact CG2-CG 4.48Å
238S97.9Very high94.5Very high54 Ų5450.5 Ų50.538%0.37827%0.269SS..EExtended strand (participates in β ladder)trans-163.5160.3-176.760.10000110.7A166 T167 L236A166-S238 WeakPolarHBondContact CA-O 3.34Å; T167-S238 PolarHBondContact N-O 2.96Å; T167-S238 PolarHBondContact O-N 3.17Å; T167-S238 PolarHBondContact OG1-OG 2.86Å; L236-S238 WeakPolarHBondContact CD1-O 3.47Å
239F97.8Very high95.2Very high26 Ų2654.4 Ų54.411%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-153.7157.3167.567.3-81.2000111.7Y158 P160 E165 A166 T206 L236 K241Y158-F239 WeakPolarHBondContact O-CZ 3.39Å; P160-F239 HydrophobicContact CB-CB 4.28Å; P160-F239 HydrophobicContact CB-CD2 4.2Å; P160-F239 HydrophobicContact CB-CG 4.17Å; P160-F239 HydrophobicContact CG-CB 3.99Å; P160-F239 HydrophobicContact CG-CD1 3.79Å; P160-F239 HydrophobicContact CG-CD2 4.1Å; P160-F239 HydrophobicContact CG-CE1 4.25Å; P160-F239 HydrophobicContact CG-CG 3.7Å; E165-F239 CarbonylContact O-C 3.59Å; E165-F239 WeakPolarHBondContact O-CA 3.26Å; E165-F239 WeakPolarHBondContact O-CB 3.47Å; A166-F239 HydrophobicContact CB-CB 3.8Å; T206-F239 WeakPolarHBondContact OG1-CE1 3.48Å; L236-F239 HydrophobicContact CD1-CD1 4.31Å; L236-F239 HydrophobicContact CD2-CD1 3.97Å; L236-F239 HydrophobicContact CD2-CE1 4.26Å; L236-F239 HydrophobicContact CG-CD1 4.43Å; F239-K241 HydrophobicContact CE2-CG 4.12Å; F239-K241 HydrophobicContact CZ-CG 4.44Å; F239-K241 PolarHBondContact O-N 3.06Å
240E95.7Very high95.6Very high66 Ų6653.8 Ų53.831%0.30830%0.303SS..  trans-67.5110.1174-172.4-165.7163.600109.8A164 E165 T242 K264A164-E240 HydrophobicContact CB-CB 4.35Å; E165-E240 HydrophobicContact CB-CB 4.42Å; E165-E240 PolarHBondContact O-N 3.25Å; E240-T242 PolarHBondContact O-N 3Å; E240-K264 IonicContact OE2-NZ 3.92Å; E240-K264 PolarHBondContact OE2-NZ 2.77Å
241K92.6Very high95.8Very high101 Ų10153.8 Ų53.844%0.43930%0.301SS..PPolyproline II helixtrans-69.6126.8171.1-65.6-175.1-179.1-176.10109.3D156 Y158 F239 K243D156-K241 IonicContact OD2-NZ 3.57Å; D156-K241 PolarHBondContact OD2-NZ 3.11Å; Y158-K241 HydrophobicContact CD2-CD 4.29Å; F239-K241 HydrophobicContact CE2-CG 4.12Å; F239-K241 HydrophobicContact CZ-CG 4.44Å; F239-K241 PolarHBondContact O-N 3.06Å; K241-K243 PolarHBondContact O-N 2.88Å
242T87.1Confident96Very high48 Ų4855.8 Ų55.829%0.29432%0.317SS..PPolyproline II helixtrans-69.9133-179.8-53.40000110.2V161 E240 R283V161-T242 WeakPolarHBondContact CG2-OG1 3.46Å; E240-T242 PolarHBondContact O-N 3Å; T242-R283 PolarHBondContact OG1-NH1 2.9Å
243K91.2Very high96Very high137 Ų13760.4 Ų60.460%0.59634%0.339SS*.PPolyproline II helixtrans-86.6139.5173.5-61.4175.9-176.2176.30109.6K241 I248 Y257K241-K243 PolarHBondContact O-N 2.88Å; K243-I248 HydrophobicContact CB-CD1 4.16Å; K243-I248 HydrophobicContact CB-CG1 4.41Å; K243-I248 HydrophobicContact CD-CD1 4.42Å; K243-Y257 HydrophobicContact CB-CE1 4.12Å
244H94.6Very high96Very high122 Ų12258.6 Ų58.657%0.56533%0.331SS*.PPolyproline II helixtrans-69.7136.4167-70.1-71000110S246 G247 E287H244-S246 VanDerWaalsContact C-N 3.26Å; H244-S246 PolarHBondContact O-N 2.65Å; H244-G247 PolarHBondContact O-N 3.5Å; H244-E287 WeakPolarHBondContact CA-OE2 3.02Å; H244-E287 WeakPolarHBondContact CB-OE2 3.41Å; H244-E287 IonicContact CE1-OE1 3.14Å; H244-E287 IonicContact CG-OE1 2.87Å; H244-E287 IonicContact CG-OE2 3.78Å; H244-E287 IonicContact ND1-OE1 3.74Å; H244-E287 PolarHBondContact ND1-OE1 2.92Å; H244-E287 IonicContact ND1-OE2 2.67Å; H244-E287 PolarHBondContact ND1-OE2 3.5Å
245L96.6Very high95.9Very high1 Ų158.6 Ų58.61%0.00533%0.331CS..G310 helixtrans-60.7-38.9-179.6-67.7-177.9000111.3G247 I248 Q254 Y257 A258 L284 E287 L288 I291L245-G247 PolarHBondContact O-N 3.28Å; L245-I248 HydrophobicContact CD2-CD1 4.43Å; L245-I248 PolarHBondContact O-N 2.92Å; L245-I248 VanDerWaalsContact O-N 3.08Å; L245-Q254 WeakPolarHBondContact O-CG 3.48Å; L245-Q254 PolarHBondContact O-NE2 3.42Å; L245-Y257 HydrophobicContact CD2-CD1 3.6Å; L245-Y257 HydrophobicContact CD2-CE1 4.36Å; L245-A258 HydrophobicContact CD1-CB 3.98Å; L245-A258 HydrophobicContact CD2-CB 4.13Å; L245-L284 HydrophobicContact CD1-CD1 3.85Å; L245-E287 HydrophobicContact CB-CB 4.26Å; L245-E287 HydrophobicContact CD1-CB 3.61Å; L245-E287 HydrophobicContact CG-CB 3.82Å; L245-E287 PolarHBondContact N-OE2 2.88Å; L245-L288 HydrophobicContact CD1-CD2 3.97Å; L245-L288 HydrophobicContact CD1-CG 4.19Å; L245-I291 HydrophobicContact CB-CD1 4.05Å; L245-I291 HydrophobicContact CB-CG1 4.21Å; L245-I291 HydrophobicContact CD1-CD1 3.87Å
246S93.8Very high95.9Very high77 Ų7760.4 Ų60.454%0.53835%0.347SS..G310 helixtrans-62.5-22.8177.458.40000113.8H244H244-S246 VanDerWaalsContact C-N 3.26Å; H244-S246 PolarHBondContact O-N 2.65Å
247G94.9Very high95.9Very high69 Ų6962.1 Ų62.171%0.71135%0.354SS*.G310 helixtrans-86.1-5.1176.200000114.6H244 L245H244-G247 PolarHBondContact O-N 3.5Å; L245-G247 PolarHBondContact O-N 3.28Å
248I96.3Very high95.9Very high23 Ų2357.4 Ų57.412%0.11833%0.334CS..SBendtrans-94.8138.7177.3-60.3170.7000108.6K243 L245 E253 Q254 Y257K243-I248 HydrophobicContact CB-CD1 4.16Å; K243-I248 HydrophobicContact CB-CG1 4.41Å; K243-I248 HydrophobicContact CD-CD1 4.42Å; L245-I248 HydrophobicContact CD2-CD1 4.43Å; L245-I248 PolarHBondContact O-N 2.92Å; L245-I248 VanDerWaalsContact O-N 3.08Å; I248-E253 HydrophobicContact CG2-CB 3.65Å; I248-Q254 HydrophobicContact CB-CG 3.91Å; I248-Q254 HydrophobicContact CG2-CG 4.06Å; I248-Q254 WeakPolarHBondContact O-CG 3.4Å; I248-Q254 PolarHBondContact O-NE2 2.89Å; I248-Q254 VanDerWaalsContact O-NE2 3.14Å; I248-Y257 HydrophobicContact CD1-CD1 3.35Å; I248-Y257 HydrophobicContact CD1-CE1 4.05Å; I248-Y257 HydrophobicContact CD1-CG 3.73Å
249S95.1Very high95.9Very high97 Ų9757 Ų5768%0.67833%0.327SS*.  trans-146142.6176.7169.60000108.7
250P96.8Very high95.8Very high64 Ų6459.3 Ų59.342%0.41634%0.343SS..SBendcis-79.3179.42.732.6-37.9000114.3S252 E253 Q254P250-S252 WeakPolarHBondContact CG-OG 3.47Å; P250-S252 PolarHBondContact O-N 3.49Å; P250-S252 VanDerWaalsContact O-N 3.14Å; P250-E253 HydrophobicContact CG-CG 4.36Å; P250-E253 WeakPolarHBondContact O-CB 3.48Å; P250-E253 PolarHBondContact O-N 3.4Å; P250-Q254 PolarHBondContact O-N 3.48Å; P250-Q254 VanDerWaalsContact O-N 3.13Å
251F98Very high95.9Very high19 Ų1956.6 Ų56.68%0.08333%0.331CS..Hα-helixtrans-49.2-38.9177.3177.2-90.9000113.4E253 Q254 M255 I291 A293 E298 E301 L302F251-E253 VanDerWaalsContact C-N 3.3Å; F251-E253 PolarHBondContact O-N 3.48Å; F251-Q254 WeakPolarHBondContact O-CB 3.47Å; F251-Q254 PolarHBondContact O-N 2.92Å; F251-Q254 VanDerWaalsContact O-N 3.15Å; F251-M255 HydrophobicContact CD1-CG 3.88Å; F251-M255 HydrophobicContact CD2-CG 4.42Å; F251-M255 HydrophobicContact CE1-CG 3.35Å; F251-M255 HydrophobicContact CE1-SD 4.29Å; F251-M255 HydrophobicContact CE2-CG 3.96Å; F251-M255 HydrophobicContact CE2-SD 3.95Å; F251-M255 HydrophobicContact CG-CG 4.38Å; F251-M255 HydrophobicContact CZ-CG 3.39Å; F251-M255 HydrophobicContact CZ-SD 3.69Å; F251-M255 WeakPolarHBondContact O-CG 3.25Å; F251-M255 PolarHBondContact O-N 3.18Å; F251-I291 HydrophobicContact CD2-CG2 3.94Å; F251-I291 HydrophobicContact CE2-CG2 3.72Å; F251-A293 HydrophobicContact CE2-CB 4.29Å; F251-E298 HydrophobicContact CD1-CB 4.04Å; F251-E298 HydrophobicContact CD1-CG 3.61Å; F251-E298 HydrophobicContact CD2-CB 4.4Å; F251-E298 HydrophobicContact CE1-CB 3.64Å; F251-E298 HydrophobicContact CE1-CG 3.66Å; F251-E298 HydrophobicContact CE2-CB 4.03Å; F251-E298 HydrophobicContact CG-CB 4.41Å; F251-E298 HydrophobicContact CG-CG 4.09Å; F251-E298 HydrophobicContact CZ-CB 3.64Å; F251-E298 HydrophobicContact CZ-CG 4.17Å; F251-E298 WeakPolarHBondContact CZ-O 3.22Å; F251-E301 HydrophobicContact CE1-CB 4.4Å; F251-E301 HydrophobicContact CZ-CB 4.49Å; F251-L302 HydrophobicContact CE2-CB 4.4Å; F251-L302 HydrophobicContact CZ-CB 4.22Å
252S97.7Very high96.2Very high77 Ų7753.3 Ų53.354%0.53832%0.317SS..Hα-helixtrans-61-36.7176.753.20000113.1P250 A256P250-S252 WeakPolarHBondContact CG-OG 3.47Å; P250-S252 PolarHBondContact O-N 3.49Å; P250-S252 VanDerWaalsContact O-N 3.14Å; S252-A256 VanDerWaalsContact O-CB 3.3Å; S252-A256 WeakPolarHBondContact O-CB 3.37Å; S252-A256 PolarHBondContact O-N 2.79Å
253E97.9Very high96.7Very high112 Ų11254.9 Ų54.952%0.52332%0.321SS..Hα-helixtrans-74-34.8174.6-69.8-173.2-155.200111.9I248 P250 F251 A256 Y257I248-E253 HydrophobicContact CG2-CB 3.65Å; P250-E253 HydrophobicContact CG-CG 4.36Å; P250-E253 WeakPolarHBondContact O-CB 3.48Å; P250-E253 PolarHBondContact O-N 3.4Å; F251-E253 VanDerWaalsContact C-N 3.3Å; F251-E253 PolarHBondContact O-N 3.48Å; E253-A256 PolarHBondContact O-N 2.75Å; E253-Y257 PolarHBondContact O-N 2.85Å
254Q97.4Very high97Very high21 Ų2151 Ų5110%0.09830%0.304CS..Hα-helixtrans-58.3-50.8172.2-60.3-178.5-68.300110.3L245 I248 P250 F251 Y257 A258L245-Q254 WeakPolarHBondContact O-CG 3.48Å; L245-Q254 PolarHBondContact O-NE2 3.42Å; I248-Q254 HydrophobicContact CB-CG 3.91Å; I248-Q254 HydrophobicContact CG2-CG 4.06Å; I248-Q254 WeakPolarHBondContact O-CG 3.4Å; I248-Q254 PolarHBondContact O-NE2 2.89Å; I248-Q254 VanDerWaalsContact O-NE2 3.14Å; P250-Q254 PolarHBondContact O-N 3.48Å; P250-Q254 VanDerWaalsContact O-N 3.13Å; F251-Q254 WeakPolarHBondContact O-CB 3.47Å; F251-Q254 PolarHBondContact O-N 2.92Å; F251-Q254 VanDerWaalsContact O-N 3.15Å; Q254-Y257 PolarHBondContact O-N 3.39Å; Q254-A258 WeakPolarHBondContact O-CB 3.37Å; Q254-A258 PolarHBondContact O-N 3.09Å
255M98.3Very high97.1Very high0 Ų045.2 Ų45.20%028%0.277CS..Hα-helixtrans-68.3-35.8-179.8-64.6-47.6-59.700112.2F251 A258 N259 I291 E301 L302 V305F251-M255 HydrophobicContact CD1-CG 3.88Å; F251-M255 HydrophobicContact CD2-CG 4.42Å; F251-M255 HydrophobicContact CE1-CG 3.35Å; F251-M255 HydrophobicContact CE1-SD 4.29Å; F251-M255 HydrophobicContact CE2-CG 3.96Å; F251-M255 HydrophobicContact CE2-SD 3.95Å; F251-M255 HydrophobicContact CG-CG 4.38Å; F251-M255 HydrophobicContact CZ-CG 3.39Å; F251-M255 HydrophobicContact CZ-SD 3.69Å; F251-M255 WeakPolarHBondContact O-CG 3.25Å; F251-M255 PolarHBondContact O-N 3.18Å; M255-A258 PolarHBondContact O-N 2.8Å; M255-N259 WeakPolarHBondContact O-CB 3.34Å; M255-N259 PolarHBondContact O-N 3.33Å; M255-N259 PolarHBondContact O-ND2 3.49Å; M255-I291 HydrophobicContact SD-CD1 4.26Å; M255-E301 WeakPolarHBondContact CB-OE1 3.33Å; M255-E301 HydrophobicContact CE-CG 4.24Å; M255-E301 HydrophobicContact CG-CG 4.4Å; M255-L302 HydrophobicContact CE-CD1 4.48Å; M255-L302 HydrophobicContact SD-CD1 4.17Å; M255-V305 HydrophobicContact CE-CB 3.71Å; M255-V305 HydrophobicContact CE-CG1 4.24Å; M255-V305 HydrophobicContact CE-CG2 3.31Å
256A98Very high97.2Very high56 Ų5646.2 Ų46.246%0.46328%0.282SS..Hα-helixtrans-60.6-49173.300000111.3S252 E253 N259 V260S252-A256 VanDerWaalsContact O-CB 3.3Å; S252-A256 WeakPolarHBondContact O-CB 3.37Å; S252-A256 PolarHBondContact O-N 2.79Å; E253-A256 PolarHBondContact O-N 2.75Å; A256-N259 PolarHBondContact O-N 3Å; A256-V260 WeakPolarHBondContact O-CG2 3.37Å; A256-V260 PolarHBondContact O-N 3.5Å
257Y97.2Very high97.4Very high36 Ų3646 Ų4614%0.14128%0.275CS..Hα-helixtrans-66.6-41.2178.2-173.1-115.4000112.2K243 L245 I248 E253 Q254 N259 V260 L261K243-Y257 HydrophobicContact CB-CE1 4.12Å; L245-Y257 HydrophobicContact CD2-CD1 3.6Å; L245-Y257 HydrophobicContact CD2-CE1 4.36Å; I248-Y257 HydrophobicContact CD1-CD1 3.35Å; I248-Y257 HydrophobicContact CD1-CE1 4.05Å; I248-Y257 HydrophobicContact CD1-CG 3.73Å; E253-Y257 PolarHBondContact O-N 2.85Å; Q254-Y257 PolarHBondContact O-N 3.39Å; Y257-N259 VanDerWaalsContact C-N 3.27Å; Y257-N259 PolarHBondContact O-N 3.12Å; Y257-V260 WeakPolarHBondContact O-CB 3.43Å; Y257-V260 PolarHBondContact O-N 3.44Å; Y257-V260 VanDerWaalsContact O-N 3.11Å; Y257-L261 HydrophobicContact CD1-CD1 4.19Å; Y257-L261 HydrophobicContact CE1-CD1 3.8Å; Y257-L261 HydrophobicContact CE1-CG 4.26Å; Y257-L261 PolarHBondContact O-N 2.86Å
258A98.2Very high97.6Very high0 Ų042.9 Ų42.90%024%0.242CC..Hα-helixtrans-57.2-41173.200000112.1L245 Q254 M255 L261 K262 L284 L288L245-A258 HydrophobicContact CD1-CB 3.98Å; L245-A258 HydrophobicContact CD2-CB 4.13Å; Q254-A258 WeakPolarHBondContact O-CB 3.37Å; Q254-A258 PolarHBondContact O-N 3.09Å; M255-A258 PolarHBondContact O-N 2.8Å; A258-L261 PolarHBondContact O-N 3.29Å; A258-K262 WeakPolarHBondContact O-CB 3.15Å; A258-K262 PolarHBondContact O-N 3.01Å; A258-L284 HydrophobicContact CB-CD1 4.09Å; A258-L288 HydrophobicContact CB-CD2 4.08Å
259N98.3Very high97.6Very high45 Ų4543 Ų4324%0.24124%0.242CC..Hα-helixtrans-68-36.5175.9-79.4-55.4000112.5M255 A256 Y257 K262 E263M255-N259 WeakPolarHBondContact O-CB 3.34Å; M255-N259 PolarHBondContact O-N 3.33Å; M255-N259 PolarHBondContact O-ND2 3.49Å; A256-N259 PolarHBondContact O-N 3Å; Y257-N259 VanDerWaalsContact C-N 3.27Å; Y257-N259 PolarHBondContact O-N 3.12Å; N259-K262 PolarHBondContact O-N 3.3Å; N259-K262 PolarHBondContact OD1-NZ 2.98Å; N259-E263 WeakPolarHBondContact O-CG 3.29Å; N259-E263 PolarHBondContact O-N 3.2Å
260V96.7Very high97.7Very high74 Ų7444.9 Ų44.945%0.44824%0.239SC..Hα-helixtrans-59.9-47.5172.3171.20000110.9A256 Y257 K262 E263 K264A256-V260 WeakPolarHBondContact O-CG2 3.37Å; A256-V260 PolarHBondContact O-N 3.5Å; Y257-V260 WeakPolarHBondContact O-CB 3.43Å; Y257-V260 PolarHBondContact O-N 3.44Å; Y257-V260 VanDerWaalsContact O-N 3.11Å; V260-K262 VanDerWaalsContact C-N 3.34Å; V260-K262 PolarHBondContact O-N 2.81Å; V260-E263 PolarHBondContact O-N 2.95Å; V260-K264 PolarHBondContact O-N 2.78Å
261L97.4Very high97.7Very high10 Ų1046.2 Ų46.25%0.05224%0.242CC..Hα-helixtrans-62.8-41.3177.2-64-179.6000111.8Y257 A258 E263 K264 A265 L280 L284Y257-L261 HydrophobicContact CD1-CD1 4.19Å; Y257-L261 HydrophobicContact CE1-CD1 3.8Å; Y257-L261 HydrophobicContact CE1-CG 4.26Å; Y257-L261 PolarHBondContact O-N 2.86Å; A258-L261 PolarHBondContact O-N 3.29Å; L261-E263 PolarHBondContact O-N 3.25Å; L261-K264 PolarHBondContact O-N 2.97Å; L261-A265 PolarHBondContact O-N 3.48Å; L261-L280 HydrophobicContact CB-CD1 4.4Å; L261-L280 HydrophobicContact CD2-CD1 4.27Å; L261-L280 WeakPolarHBondContact O-CD2 3.32Å; L261-L284 HydrophobicContact CB-CD1 4.32Å; L261-L284 HydrophobicContact CB-CD2 4.13Å; L261-L284 HydrophobicContact CD1-CD1 4.26Å
262K98.3Very high97.6Very high32 Ų3248.9 Ų48.914%0.13926%0.263CS..Hα-helixtrans-60.3-43.7175.1-173.5-16773.3-167.80111.6A258 N259 V260 A265 N266 L284 A308 V309A258-K262 WeakPolarHBondContact O-CB 3.15Å; A258-K262 PolarHBondContact O-N 3.01Å; N259-K262 PolarHBondContact O-N 3.3Å; N259-K262 PolarHBondContact OD1-NZ 2.98Å; V260-K262 VanDerWaalsContact C-N 3.34Å; V260-K262 PolarHBondContact O-N 2.81Å; K262-A265 PolarHBondContact O-N 2.96Å; K262-N266 PolarHBondContact O-N 3.48Å; K262-N266 PolarHBondContact O-OD1 3.37Å; K262-L284 HydrophobicContact CB-CD2 3.78Å; K262-A308 HydrophobicContact CD-CB 4.32Å; K262-V309 HydrophobicContact CD-CG2 4.41Å; K262-V309 HydrophobicContact CG-CG2 4.1Å
263E97.9Very high97.5Very high81 Ų8147.9 Ų47.938%0.37925%0.249SC..Hα-helixtrans-68.6-39178.2-69.6-46.3131.300112.5N259 V260 L261 A265 N266 N267N259-E263 WeakPolarHBondContact O-CG 3.29Å; N259-E263 PolarHBondContact O-N 3.2Å; V260-E263 PolarHBondContact O-N 2.95Å; L261-E263 PolarHBondContact O-N 3.25Å; E263-A265 VanDerWaalsContact C-N 3.28Å; E263-A265 PolarHBondContact O-N 2.96Å; E263-N266 WeakPolarHBondContact O-CB 3.4Å; E263-N266 PolarHBondContact O-N 2.92Å; E263-N266 PolarHBondContact OE1-ND2 3.36Å; E263-N266 PolarHBondContact OE2-ND2 3.15Å; E263-N267 VanDerWaalsContact O-CG 3.31Å; E263-N267 PolarHBondContact O-N 3.13Å
264K97Very high97.4Very high56 Ų5644.5 Ų44.524%0.24323%0.233CC..Hα-helixtrans-56.1-44.1169.9-73.9-177.3174.7-173.30110.9G163 E240 V260 L261 N267 F268 L280G163-K264 WeakPolarHBondContact O-CD 3.17Å; G163-K264 PolarHBondContact O-NZ 2.94Å; E240-K264 IonicContact OE2-NZ 3.92Å; E240-K264 PolarHBondContact OE2-NZ 2.77Å; V260-K264 PolarHBondContact O-N 2.78Å; L261-K264 PolarHBondContact O-N 2.97Å; K264-N267 PolarHBondContact O-N 2.96Å; K264-F268 WeakPolarHBondContact O-CD2 3.27Å; K264-F268 PolarHBondContact O-N 2.86Å; K264-F268 VanDerWaalsContact O-N 3.17Å; K264-L280 HydrophobicContact CB-CD2 3.64Å
265A98.3Very high97.3Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-68.3-36.4176.600000113.5L261 K262 E263 N267 F268 L269 L280 Y281L261-A265 PolarHBondContact O-N 3.48Å; K262-A265 PolarHBondContact O-N 2.96Å; E263-A265 VanDerWaalsContact C-N 3.28Å; E263-A265 PolarHBondContact O-N 2.96Å; A265-N267 VanDerWaalsContact C-N 3.27Å; A265-N267 PolarHBondContact O-N 3.4Å; A265-F268 PolarHBondContact O-N 3.09Å; A265-L269 PolarHBondContact O-N 2.81Å; A265-L280 HydrophobicContact CB-CB 4.15Å; A265-L280 HydrophobicContact CB-CD2 3.76Å; A265-L280 HydrophobicContact CB-CG 3.84Å; A265-Y281 HydrophobicContact CB-CD1 3.5Å; A265-Y281 HydrophobicContact CB-CD2 3.99Å; A265-Y281 HydrophobicContact CB-CE1 3.38Å; A265-Y281 HydrophobicContact CB-CE2 3.86Å; A265-Y281 HydrophobicContact CB-CG 3.79Å; A265-Y281 PolarHBondContact O-OH 3.4Å
266N98.1Very high97.2Very high22 Ų2246.8 Ų46.812%0.11825%0.247CC..Hα-helixtrans-60.7-39.2173.3-69.9-20.8000110.9K262 E263 L269 K270 Y281 N312K262-N266 PolarHBondContact O-N 3.48Å; K262-N266 PolarHBondContact O-OD1 3.37Å; E263-N266 WeakPolarHBondContact O-CB 3.4Å; E263-N266 PolarHBondContact O-N 2.92Å; E263-N266 PolarHBondContact OE1-ND2 3.36Å; E263-N266 PolarHBondContact OE2-ND2 3.15Å; N266-L269 PolarHBondContact O-N 2.88Å; N266-K270 VanDerWaalsContact O-CG 3.28Å; N266-K270 WeakPolarHBondContact O-CG 3.48Å; N266-K270 PolarHBondContact O-N 3.29Å; N266-Y281 WeakPolarHBondContact CA-OH 3.49Å; N266-Y281 PolarHBondContact N-OH 3.39Å; N266-Y281 PolarHBondContact OD1-OH 3.22Å; N266-N312 PolarHBondContact OD1-ND2 3.28Å
267N97.5Very high97.2Very high72 Ų7244.1 Ų44.139%0.38523%0.225SC..Hα-helixtrans-66.6-47.7177.9-66.5-15.2000111.1E263 K264 A265 L269 K270 D271E263-N267 VanDerWaalsContact O-CG 3.31Å; E263-N267 PolarHBondContact O-N 3.13Å; K264-N267 PolarHBondContact O-N 2.96Å; A265-N267 VanDerWaalsContact C-N 3.27Å; A265-N267 PolarHBondContact O-N 3.4Å; N267-L269 PolarHBondContact O-N 3.13Å; N267-L269 VanDerWaalsContact O-N 3.17Å; N267-K270 WeakPolarHBondContact O-CB 3.36Å; N267-K270 PolarHBondContact O-N 2.88Å; N267-K270 PolarHBondContact OD1-NZ 3.11Å; N267-D271 PolarHBondContact O-N 3.35Å
268F98.1Very high97.3Very high4 Ų443.2 Ų43.22%0.01822%0.222CC..Hα-helixtrans-52.4-41.9171.3-68.4-47000112.6A162 V186 G187 D188 K264 A265 D271 S272 K273 A277 L280A162-F268 HydrophobicContact CB-CE2 4.26Å; V186-F268 WeakPolarHBondContact O-CZ 3.35Å; G187-F268 VanDerWaalsContact C-CE1 3.44Å; G187-F268 WeakPolarHBondContact O-CE1 3.44Å; D188-F268 HydrophobicContact CB-CD1 4.32Å; D188-F268 HydrophobicContact CB-CE1 3.7Å; K264-F268 WeakPolarHBondContact O-CD2 3.27Å; K264-F268 PolarHBondContact O-N 2.86Å; K264-F268 VanDerWaalsContact O-N 3.17Å; A265-F268 PolarHBondContact O-N 3.09Å; F268-D271 PolarHBondContact O-N 2.71Å; F268-S272 PolarHBondContact O-N 3.14Å; F268-K273 HydrophobicContact CB-CB 4.2Å; F268-K273 HydrophobicContact CD1-CB 4.17Å; F268-K273 HydrophobicContact CD1-CD 4.35Å; F268-K273 WeakPolarHBondContact O-CA 3.43Å; F268-K273 PolarHBondContact O-N 2.91Å; F268-A277 HydrophobicContact CB-CB 3.67Å; F268-L280 HydrophobicContact CD2-CD2 4.05Å; F268-L280 HydrophobicContact CE2-CB 4.42Å; F268-L280 HydrophobicContact CE2-CD2 3.73Å
269L97.8Very high97.2Very high24 Ų2446.4 Ų46.413%0.12624%0.237CC..Hα-helixtrans-66.8-40.8177.8179.656.1000112.9A265 N266 N267 D271 S272 F274 A277 Y281 N312 L315 T316A265-L269 PolarHBondContact O-N 2.81Å; N266-L269 PolarHBondContact O-N 2.88Å; N267-L269 PolarHBondContact O-N 3.13Å; N267-L269 VanDerWaalsContact O-N 3.17Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 2.87Å; L269-S272 PolarHBondContact O-N 2.62Å; L269-F274 HydrophobicContact CD1-CD1 3.84Å; L269-F274 HydrophobicContact CD1-CE1 3.88Å; L269-A277 HydrophobicContact CB-CB 4.31Å; L269-Y281 HydrophobicContact CB-CE2 4.45Å; L269-Y281 HydrophobicContact CD2-CE2 4.37Å; L269-N312 HydrophobicContact CD2-CB 4.34Å; L269-L315 HydrophobicContact CD2-CD2 4.09Å; L269-L315 HydrophobicContact CD2-CG 4.45Å; L269-T316 HydrophobicContact CD1-CG2 4.14Å; L269-T316 WeakPolarHBondContact CD1-OG1 3.5Å
270K97.1Very high97.2Very high138 Ų13844.3 Ų44.360%0.623%0.226SC*.Hα-helixtrans-62.7-39.8176.4-71.2166.8-165.8162.60111N266 N267 S272N266-K270 VanDerWaalsContact O-CG 3.28Å; N266-K270 WeakPolarHBondContact O-CG 3.48Å; N266-K270 PolarHBondContact O-N 3.29Å; N267-K270 WeakPolarHBondContact O-CB 3.36Å; N267-K270 PolarHBondContact O-N 2.88Å; N267-K270 PolarHBondContact OD1-NZ 3.11Å; K270-S272 PolarHBondContact O-N 3.33Å
271D95.6Very high97.2Very high91 Ų9140.8 Ų40.849%0.48720%0.204SC..THydrogen-bonded Turntrans-84.510.7-178.6-57.1-29.7000112.8N267 F268 L269 K273N267-D271 PolarHBondContact O-N 3.35Å; F268-D271 PolarHBondContact O-N 2.71Å; L269-D271 VanDerWaalsContact C-N 3.29Å; L269-D271 PolarHBondContact O-N 2.87Å; D271-K273 HydrophobicContact CB-CG 4.25Å; D271-K273 PolarHBondContact O-N 3.21Å; D271-K273 VanDerWaalsContact O-N 3.11Å
272S96.5Very high97.3Very high76 Ų7643.8 Ų43.853%0.53122%0.217SC..THydrogen-bonded Turntrans59.518.2-179.7-54.20000114.8F268 L269 K270 F274F268-S272 PolarHBondContact O-N 3.14Å; L269-S272 PolarHBondContact O-N 2.62Å; K270-S272 PolarHBondContact O-N 3.33Å; S272-F274 WeakPolarHBondContact O-CD2 3.35Å; S272-F274 PolarHBondContact O-N 3.48Å
273K95.6Very high97.2Very high55 Ų5544.9 Ų44.924%0.23922%0.22CC..  trans-80.663.1172.6-57.5-168.9178.8-168.20109.9G187 D188 F268 D271 D275 S276 A277G187-K273 VanDerWaalsContact O-CD 3.27Å; G187-K273 WeakPolarHBondContact O-CD 3.23Å; D188-K273 HydrophobicContact CB-CD 4.45Å; D188-K273 IonicContact OD1-NZ 2.62Å; D188-K273 PolarHBondContact OD1-NZ 2.77Å; F268-K273 HydrophobicContact CB-CB 4.2Å; F268-K273 HydrophobicContact CD1-CB 4.17Å; F268-K273 HydrophobicContact CD1-CD 4.35Å; F268-K273 WeakPolarHBondContact O-CA 3.43Å; F268-K273 PolarHBondContact O-N 2.91Å; D271-K273 HydrophobicContact CB-CG 4.25Å; D271-K273 PolarHBondContact O-N 3.21Å; D271-K273 VanDerWaalsContact O-N 3.11Å; K273-D275 PolarHBondContact O-N 3.38Å; K273-D275 VanDerWaalsContact O-N 3.15Å; K273-S276 PolarHBondContact O-N 3.04Å; K273-A277 WeakPolarHBondContact O-CB 3.44Å; K273-A277 PolarHBondContact O-N 2.87Å
274F96.8Very high97.2Very high42 Ų4241 Ų4118%0.18420%0.202CC..Hα-helixtrans-61-29.9-166.7-59-52.3000114L269 S272 A277 I278 T316 K319 L320L269-F274 HydrophobicContact CD1-CD1 3.84Å; L269-F274 HydrophobicContact CD1-CE1 3.88Å; S272-F274 WeakPolarHBondContact O-CD2 3.35Å; S272-F274 PolarHBondContact O-N 3.48Å; F274-A277 WeakPolarHBondContact O-CB 3.49Å; F274-I278 WeakPolarHBondContact O-CB 3.4Å; F274-I278 VanDerWaalsContact O-CG1 3.31Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.44Å; F274-T316 HydrophobicContact CB-CG2 3.82Å; F274-T316 HydrophobicContact CD1-CG2 3.93Å; F274-T316 HydrophobicContact CG-CG2 4.28Å; F274-T316 WeakPolarHBondContact O-CG2 3.44Å; F274-K319 HydrophobicContact CD1-CB 4.24Å; F274-K319 HydrophobicContact CE1-CB 3.71Å; F274-K319 HydrophobicContact CE1-CG 4.05Å; F274-K319 HydrophobicContact CE2-CB 4.33Å; F274-K319 HydrophobicContact CZ-CB 3.77Å; F274-K319 HydrophobicContact CZ-CG 4.29Å; F274-L320 HydrophobicContact CB-CD1 3.86Å; F274-L320 HydrophobicContact CB-CD2 3.84Å; F274-L320 HydrophobicContact CB-CG 3.83Å; F274-L320 HydrophobicContact CD2-CD2 3.64Å; F274-L320 HydrophobicContact CD2-CG 4.12Å; F274-L320 HydrophobicContact CG-CD2 4.05Å; F274-L320 HydrophobicContact CG-CG 4.11Å
275D94Very high97.3Very high57 Ų5738.5 Ų38.531%0.30519%0.191SC..Hα-helixtrans-78.1-46.3-175.6-58.2-57.6000112.2R140 K273 A277 I278 E279R140-D275 IonicContact CZ-OD1 2.66Å; R140-D275 IonicContact CZ-OD2 2.72Å; R140-D275 IonicContact NH1-OD1 2.68Å; R140-D275 PolarHBondContact NH1-OD1 3.1Å; R140-D275 IonicContact NH1-OD2 3.28Å; R140-D275 PolarHBondContact NH1-OD2 3.42Å; R140-D275 IonicContact NH2-OD1 3.85Å; R140-D275 PolarHBondContact NH2-OD1 3.46Å; R140-D275 IonicContact NH2-OD2 3.91Å; R140-D275 PolarHBondContact NH2-OD2 2.96Å; K273-D275 PolarHBondContact O-N 3.38Å; K273-D275 VanDerWaalsContact O-N 3.15Å; D275-A277 PolarHBondContact O-N 3.48Å; D275-I278 PolarHBondContact O-N 3.23Å; D275-E279 WeakPolarHBondContact O-CB 3.32Å; D275-E279 PolarHBondContact O-N 3.28Å
276S96.8Very high97.3Very high12 Ų1242.6 Ų42.68%0.08421%0.213CC..Hα-helixtrans-58-39.9168.5-56.90000111.1G187 R202 K273 L280G187-S276 VanDerWaalsContact CA-OG 3.28Å; G187-S276 WeakPolarHBondContact CA-OG 3.33Å; G187-S276 PolarHBondContact O-OG 3.4Å; R202-S276 PolarHBondContact NH2-OG 3.45Å; K273-S276 PolarHBondContact O-N 3.04Å; S276-L280 WeakPolarHBondContact O-CB 3.43Å; S276-L280 PolarHBondContact O-N 3.35Å
277A98.3Very high97.3Very high0 Ų043.2 Ų43.20%022%0.216CC..Hα-helixtrans-60.8-49.7174.500000111.7F268 L269 K273 F274 D275 E279 L280 Y281 T316F268-A277 HydrophobicContact CB-CB 3.67Å; L269-A277 HydrophobicContact CB-CB 4.31Å; K273-A277 WeakPolarHBondContact O-CB 3.44Å; K273-A277 PolarHBondContact O-N 2.87Å; F274-A277 WeakPolarHBondContact O-CB 3.49Å; D275-A277 PolarHBondContact O-N 3.48Å; A277-E279 PolarHBondContact O-N 3.15Å; A277-L280 PolarHBondContact O-N 3.05Å; A277-Y281 HydrophobicContact CB-CD2 4.22Å; A277-Y281 HydrophobicContact CB-CE2 4.1Å; A277-Y281 WeakPolarHBondContact O-CB 3.2Å; A277-Y281 WeakPolarHBondContact O-CD2 3.47Å; A277-Y281 PolarHBondContact O-N 2.89Å; A277-T316 HydrophobicContact CB-CG2 4.26Å
278I98.3Very high97.3Very high17 Ų1739.9 Ų39.99%0.08720%0.198CC..Hα-helixtrans-60.3-47.1179.1-78.8163.5000111.4F274 D275 L280 K282 L313 T316 Y317 L320F274-I278 WeakPolarHBondContact O-CB 3.4Å; F274-I278 VanDerWaalsContact O-CG1 3.31Å; F274-I278 WeakPolarHBondContact O-CG1 3.37Å; F274-I278 PolarHBondContact O-N 3.44Å; D275-I278 PolarHBondContact O-N 3.23Å; I278-L280 PolarHBondContact O-N 2.98Å; I278-K282 HydrophobicContact CG2-CD 3.96Å; I278-K282 HydrophobicContact CG2-CG 4.32Å; I278-K282 VanDerWaalsContact O-CB 3.26Å; I278-K282 WeakPolarHBondContact O-CB 3.47Å; I278-K282 WeakPolarHBondContact O-CG 3.41Å; I278-K282 PolarHBondContact O-N 3.39Å; I278-L313 HydrophobicContact CG1-CD2 4.5Å; I278-T316 HydrophobicContact CD1-CG2 3.91Å; I278-T316 HydrophobicContact CG1-CG2 3.64Å; I278-Y317 HydrophobicContact CD1-CD1 3.91Å; I278-Y317 HydrophobicContact CD1-CE1 3.5Å; I278-Y317 HydrophobicContact CD1-CE2 4.48Å; I278-Y317 HydrophobicContact CG1-CE1 4.24Å; I278-Y317 HydrophobicContact CG1-CE2 4.38Å; I278-Y317 VanDerWaalsContact CG2-OH 3.31Å; I278-Y317 WeakPolarHBondContact CG2-OH 3.37Å; I278-L320 HydrophobicContact CD1-CD1 3.4Å
279E96.5Very high97.2Very high67 Ų6744.3 Ų44.331%0.31322%0.219SC..Hα-helixtrans-57.5-50.5-180-177.1-174.9150.500110.8A162 R202 D275 A277 K282 R283A162-E279 HydrophobicContact CB-CB 4.13Å; A162-E279 VanDerWaalsContact CB-CD 3.49Å; A162-E279 HydrophobicContact CB-CG 4.07Å; A162-E279 PolarHBondContact N-OE1 3.48Å; R202-E279 IonicContact CZ-OE2 3.42Å; R202-E279 VanDerWaalsContact NH1-CD 3.33Å; R202-E279 IonicContact NH1-OE1 2.61Å; R202-E279 PolarHBondContact NH1-OE1 3.27Å; R202-E279 IonicContact NH1-OE2 3.2Å; R202-E279 PolarHBondContact NH1-OE2 2.93Å; D275-E279 WeakPolarHBondContact O-CB 3.32Å; D275-E279 PolarHBondContact O-N 3.28Å; A277-E279 PolarHBondContact O-N 3.15Å; E279-K282 PolarHBondContact O-N 2.96Å; E279-R283 WeakPolarHBondContact O-CB 3.47Å; E279-R283 PolarHBondContact O-N 3.2Å; E279-R283 VanDerWaalsContact O-N 3.12Å
280L97.6Very high97.1Very high0 Ų051.2 Ų51.20%024%0.244CC..Hα-helixtrans-68-45.2-178.6-178.156.2000112.4A162 L261 K264 A265 F268 S276 A277 I278 K282 L284A162-L280 HydrophobicContact CB-CB 4.5Å; L261-L280 HydrophobicContact CB-CD1 4.4Å; L261-L280 HydrophobicContact CD2-CD1 4.27Å; L261-L280 WeakPolarHBondContact O-CD2 3.32Å; K264-L280 HydrophobicContact CB-CD2 3.64Å; A265-L280 HydrophobicContact CB-CB 4.15Å; A265-L280 HydrophobicContact CB-CD2 3.76Å; A265-L280 HydrophobicContact CB-CG 3.84Å; F268-L280 HydrophobicContact CD2-CD2 4.05Å; F268-L280 HydrophobicContact CE2-CB 4.42Å; F268-L280 HydrophobicContact CE2-CD2 3.73Å; S276-L280 WeakPolarHBondContact O-CB 3.43Å; S276-L280 PolarHBondContact O-N 3.35Å; A277-L280 PolarHBondContact O-N 3.05Å; I278-L280 PolarHBondContact O-N 2.98Å; L280-K282 PolarHBondContact O-N 3.45Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 3.39Å
281Y98.6Very high97.1Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-63.7-40177.6-78.8-55.2000112.7A265 N266 L269 A277 L284 D285 V309 N312 L313A265-Y281 HydrophobicContact CB-CD1 3.5Å; A265-Y281 HydrophobicContact CB-CD2 3.99Å; A265-Y281 HydrophobicContact CB-CE1 3.38Å; A265-Y281 HydrophobicContact CB-CE2 3.86Å; A265-Y281 HydrophobicContact CB-CG 3.79Å; A265-Y281 PolarHBondContact O-OH 3.4Å; N266-Y281 WeakPolarHBondContact CA-OH 3.49Å; N266-Y281 PolarHBondContact N-OH 3.39Å; N266-Y281 PolarHBondContact OD1-OH 3.22Å; L269-Y281 HydrophobicContact CB-CE2 4.45Å; L269-Y281 HydrophobicContact CD2-CE2 4.37Å; A277-Y281 HydrophobicContact CB-CD2 4.22Å; A277-Y281 HydrophobicContact CB-CE2 4.1Å; A277-Y281 WeakPolarHBondContact O-CB 3.2Å; A277-Y281 WeakPolarHBondContact O-CD2 3.47Å; A277-Y281 PolarHBondContact O-N 2.89Å; Y281-L284 PolarHBondContact O-N 3Å; Y281-D285 WeakPolarHBondContact O-CB 3.27Å; Y281-D285 PolarHBondContact O-N 3.43Å; Y281-V309 HydrophobicContact CD1-CG1 4.04Å; Y281-V309 WeakPolarHBondContact O-CG1 3.31Å; Y281-N312 HydrophobicContact CE1-CB 3.8Å; Y281-N312 HydrophobicContact CE2-CB 3.97Å; Y281-N312 VanDerWaalsContact CZ-CB 3.47Å; Y281-N312 WeakPolarHBondContact OH-CB 3.35Å; Y281-N312 PolarHBondContact OH-ND2 3.04Å; Y281-L313 VanDerWaalsContact CB-CD2 3.41Å; Y281-L313 VanDerWaalsContact CB-CG 3.47Å; Y281-L313 HydrophobicContact CD2-CD2 4.29Å; Y281-L313 HydrophobicContact CD2-CG 4.37Å; Y281-L313 HydrophobicContact CG-CD2 4.23Å; Y281-L313 HydrophobicContact CG-CG 4.08Å
282K98.3Very high97.1Very high73 Ų7347 Ų4732%0.31723%0.232SC..Hα-helixtrans-64.3-49.3179.3-84.8-174.3166.9-178.90111.4I278 E279 L280 L284 D285 D286 L313 Y317 F329I278-K282 HydrophobicContact CG2-CD 3.96Å; I278-K282 HydrophobicContact CG2-CG 4.32Å; I278-K282 VanDerWaalsContact O-CB 3.26Å; I278-K282 WeakPolarHBondContact O-CB 3.47Å; I278-K282 WeakPolarHBondContact O-CG 3.41Å; I278-K282 PolarHBondContact O-N 3.39Å; E279-K282 PolarHBondContact O-N 2.96Å; L280-K282 PolarHBondContact O-N 3.45Å; K282-L284 PolarHBondContact O-N 3.06Å; K282-D285 PolarHBondContact O-N 3.29Å; K282-D285 VanDerWaalsContact O-N 3.09Å; K282-D286 PolarHBondContact O-N 2.88Å; K282-L313 HydrophobicContact CG-CD1 4.49Å; K282-L313 HydrophobicContact CG-CD2 4.02Å; K282-Y317 WeakPolarHBondContact CE-OH 3.23Å; K282-Y317 PolarHBondContact NZ-OH 3.44Å; K282-F329 HydrophobicContact CG-CZ 4.39Å
283R97.2Very high97.1Very high55 Ų5544.4 Ų44.421%0.20822%0.215CC..Hα-helixtrans-55.6-42.5175-179.6177.460.1165.9-1.4111.2A162 T242 E279 D286 E287A162-R283 PolarHBondContact O-NH2 3.07Å; T242-R283 PolarHBondContact OG1-NH1 2.9Å; E279-R283 WeakPolarHBondContact O-CB 3.47Å; E279-R283 PolarHBondContact O-N 3.2Å; E279-R283 VanDerWaalsContact O-N 3.12Å; R283-D286 PolarHBondContact O-N 3.28Å; R283-E287 VanDerWaalsContact O-CG 3.31Å; R283-E287 WeakPolarHBondContact O-CG 3.38Å; R283-E287 PolarHBondContact O-N 3.12Å
284L98.1Very high97.1Very high1 Ų148.5 Ų48.51%0.00524%0.24CC..Hα-helixtrans-65.6-43.7175.8-17958.2000112.5L245 A258 L261 K262 L280 Y281 K282 D286 E287 L288 V309L245-L284 HydrophobicContact CD1-CD1 3.85Å; A258-L284 HydrophobicContact CB-CD1 4.09Å; L261-L284 HydrophobicContact CB-CD1 4.32Å; L261-L284 HydrophobicContact CB-CD2 4.13Å; L261-L284 HydrophobicContact CD1-CD1 4.26Å; K262-L284 HydrophobicContact CB-CD2 3.78Å; L280-L284 WeakPolarHBondContact O-CB 3.45Å; L280-L284 PolarHBondContact O-N 3.39Å; Y281-L284 PolarHBondContact O-N 3Å; K282-L284 PolarHBondContact O-N 3.06Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.33Å; L284-E287 PolarHBondContact O-N 3.41Å; L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CD2 4.42Å; L284-L288 HydrophobicContact CD1-CG 3.97Å; L284-L288 HydrophobicContact CG-CD1 3.88Å; L284-L288 HydrophobicContact CG-CG 4.27Å; L284-L288 WeakPolarHBondContact O-CB 3.33Å; L284-L288 WeakPolarHBondContact O-CD1 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.43Å; L284-L288 PolarHBondContact O-N 2.81Å; L284-V309 HydrophobicContact CD2-CG2 3.64Å; L284-V309 HydrophobicContact CG-CG2 4.1Å
285D98.4Very high97.2Very high2 Ų248.3 Ų48.31%0.01125%0.249CC..Hα-helixtrans-59.4-38175.3-173.155.1000111.7Y281 K282 Q289 V309 R310 L313 K332Y281-D285 WeakPolarHBondContact O-CB 3.27Å; Y281-D285 PolarHBondContact O-N 3.43Å; K282-D285 PolarHBondContact O-N 3.29Å; K282-D285 VanDerWaalsContact O-N 3.09Å; D285-Q289 WeakPolarHBondContact O-CG 3.48Å; D285-Q289 PolarHBondContact O-NE2 3.38Å; D285-V309 HydrophobicContact CB-CG1 4Å; D285-R310 VanDerWaalsContact OD1-CG 3.25Å; D285-R310 WeakPolarHBondContact OD1-CG 3.4Å; D285-R310 IonicContact OD1-CZ 2.79Å; D285-R310 IonicContact OD1-NE 3.87Å; D285-R310 PolarHBondContact OD1-NE 2.96Å; D285-R310 IonicContact OD1-NH2 3.44Å; D285-R310 PolarHBondContact OD1-NH2 3.1Å; D285-R310 IonicContact OD2-NE 3.96Å; D285-L313 HydrophobicContact CB-CD1 4.2Å; D285-K332 IonicContact OD2-NZ 3.82Å
286D97.7Very high97.4Very high87 Ų8751.2 Ų51.247%0.46527%0.272SS..Hα-helixtrans-69-45.7177.2-67.4-25.7000111.6K282 R283 L284 L288 Q289 Y290K282-D286 PolarHBondContact O-N 2.88Å; R283-D286 PolarHBondContact O-N 3.28Å; L284-D286 VanDerWaalsContact C-N 3.27Å; L284-D286 PolarHBondContact O-N 3.33Å; D286-L288 PolarHBondContact O-N 3.48Å; D286-Q289 PolarHBondContact O-N 2.99Å; D286-Y290 WeakPolarHBondContact O-CD2 3.36Å; D286-Y290 WeakPolarHBondContact O-CE2 3.41Å
287E97.8Very high97.4Very high35 Ų3554.3 Ų54.316%0.16430%0.298CS..Hα-helixtrans-64.4-40.5177.9-71.8-72.1130.700112.7H244 L245 R283 L284 Q289 Y290H244-E287 WeakPolarHBondContact CA-OE2 3.02Å; H244-E287 WeakPolarHBondContact CB-OE2 3.41Å; H244-E287 IonicContact CE1-OE1 3.14Å; H244-E287 IonicContact CG-OE1 2.87Å; H244-E287 IonicContact CG-OE2 3.78Å; H244-E287 IonicContact ND1-OE1 3.74Å; H244-E287 PolarHBondContact ND1-OE1 2.92Å; H244-E287 IonicContact ND1-OE2 2.67Å; H244-E287 PolarHBondContact ND1-OE2 3.5Å; L245-E287 HydrophobicContact CB-CB 4.26Å; L245-E287 HydrophobicContact CD1-CB 3.61Å; L245-E287 HydrophobicContact CG-CB 3.82Å; L245-E287 PolarHBondContact N-OE2 2.88Å; R283-E287 VanDerWaalsContact O-CG 3.31Å; R283-E287 WeakPolarHBondContact O-CG 3.38Å; R283-E287 PolarHBondContact O-N 3.12Å; L284-E287 PolarHBondContact O-N 3.41Å; E287-Q289 PolarHBondContact O-N 2.95Å; E287-Y290 PolarHBondContact O-N 3.37Å
288L98Very high97.4Very high1 Ų157 Ų571%0.00531%0.311CS..Hα-helixtrans-62.1-25.3-179.4-74168.4000113L245 A258 L284 D286 Y290 I291 L302 V305 I306 V309L245-L288 HydrophobicContact CD1-CD2 3.97Å; L245-L288 HydrophobicContact CD1-CG 4.19Å; A258-L288 HydrophobicContact CB-CD2 4.08Å; L284-L288 HydrophobicContact CD1-CD1 4.1Å; L284-L288 HydrophobicContact CD1-CD2 4.42Å; L284-L288 HydrophobicContact CD1-CG 3.97Å; L284-L288 HydrophobicContact CG-CD1 3.88Å; L284-L288 HydrophobicContact CG-CG 4.27Å; L284-L288 WeakPolarHBondContact O-CB 3.33Å; L284-L288 WeakPolarHBondContact O-CD1 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.43Å; L284-L288 PolarHBondContact O-N 2.81Å; D286-L288 PolarHBondContact O-N 3.48Å; L288-Y290 PolarHBondContact O-N 3.45Å; L288-I291 HydrophobicContact CD2-CD1 3.85Å; L288-I291 PolarHBondContact O-N 3.49Å; L288-L302 HydrophobicContact CD2-CD1 3.92Å; L288-V305 HydrophobicContact CD1-CG1 3.9Å; L288-V305 HydrophobicContact CD2-CG1 4.04Å; L288-I306 HydrophobicContact CB-CD1 4.36Å; L288-I306 HydrophobicContact CB-CG1 3.81Å; L288-I306 HydrophobicContact CD1-CG1 4.03Å; L288-I306 HydrophobicContact CG-CG1 4.4Å; L288-V309 HydrophobicContact CD1-CB 4.47Å; L288-V309 HydrophobicContact CD1-CG2 4.04Å
289Q95.3Very high97.4Very high98 Ų9860.6 Ų60.646%0.45833%0.327SS..THydrogen-bonded Turntrans-68.2-20.6179.6-72167.564.800113.2D285 D286 E287D285-Q289 WeakPolarHBondContact O-CG 3.48Å; D285-Q289 PolarHBondContact O-NE2 3.38Å; D286-Q289 PolarHBondContact O-N 2.99Å; E287-Q289 PolarHBondContact O-N 2.95Å
290Y96.2Very high97.5Very high169 Ų16965.2 Ų65.266%0.66335%0.346SS*.THydrogen-bonded Turntrans-100.10.8-178-59.4-76.2000113.7D286 E287 L288D286-Y290 WeakPolarHBondContact O-CD2 3.36Å; D286-Y290 WeakPolarHBondContact O-CE2 3.41Å; E287-Y290 PolarHBondContact O-N 3.37Å; L288-Y290 PolarHBondContact O-N 3.45Å
291I97.2Very high97.5Very high14 Ų1469.4 Ų69.47%0.07237%0.365CS..  trans-75130.5176.1-61.5-176.4000109.6L245 F251 M255 L288 L302L245-I291 HydrophobicContact CB-CD1 4.05Å; L245-I291 HydrophobicContact CB-CG1 4.21Å; L245-I291 HydrophobicContact CD1-CD1 3.87Å; F251-I291 HydrophobicContact CD2-CG2 3.94Å; F251-I291 HydrophobicContact CE2-CG2 3.72Å; M255-I291 HydrophobicContact SD-CD1 4.26Å; L288-I291 HydrophobicContact CD2-CD1 3.85Å; L288-I291 PolarHBondContact O-N 3.49Å; I291-L302 HydrophobicContact CB-CD1 3.97Å; I291-L302 HydrophobicContact CB-CD2 4Å; I291-L302 HydrophobicContact CD1-CD1 4.02Å; I291-L302 HydrophobicContact CG1-CD1 4.49Å; I291-L302 HydrophobicContact CG2-CD1 4.16Å; I291-L302 HydrophobicContact CG2-CD2 3.98Å
292V95.8Very high97.5Very high126 Ų12669.7 Ų69.776%0.76437%0.367SS*.  trans-97.9112.7174.5-178.10000108.9
293A96.6Very high97.5Very high21 Ų2167.3 Ų67.317%0.17436%0.36CS..  trans-86.5135.3174.200000111.3F251 G295 E298 Q299 L302F251-A293 HydrophobicContact CE2-CB 4.29Å; A293-G295 PolarHBondContact O-N 2.96Å; A293-E298 HydrophobicContact CB-CB 3.79Å; A293-Q299 HydrophobicContact CB-CB 4.07Å; A293-L302 HydrophobicContact CB-CD2 4.23Å
294N96.3Very high97.5Very high142 Ų14267.6 Ų67.676%0.75937%0.374SS*.  trans-99.885.8179.9-150.36.1000110.9E298N294-E298 WeakPolarHBondContact CA-OE2 3.24Å; N294-E298 WeakPolarHBondContact CB-OE2 3.4Å; N294-E298 PolarHBondContact N-OE2 2.95Å
295G97.7Very high97.5Very high37 Ų3768 Ų6838%0.38138%0.376SS..SBendtrans91.6179.4176.900000114.8A293 A297 Q299A293-G295 PolarHBondContact O-N 2.96Å; G295-A297 VanDerWaalsContact C-N 3.34Å; G295-A297 PolarHBondContact O-N 3.15Å; G295-Q299 WeakPolarHBondContact O-CB 3.42Å; G295-Q299 PolarHBondContact O-N 3.47Å; G295-Q299 VanDerWaalsContact O-N 3.09Å
296P97.9Very high97.5Very high119 Ų11969.1 Ų69.177%0.77338%0.382SS*.Hα-helixtrans-66-30.6-165.5-24.635000115K300P296-K300 WeakPolarHBondContact O-CB 3.41Å; P296-K300 PolarHBondContact O-N 3.38Å
297A98Very high97.6Very high77 Ų7766 Ų6664%0.63637%0.366SS*.Hα-helixtrans-68.7-52.3-178.700000111.4G295 Q299 K300 E301G295-A297 VanDerWaalsContact C-N 3.34Å; G295-A297 PolarHBondContact O-N 3.15Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 2.98Å; A297-K300 WeakPolarHBondContact O-CB 3.39Å; A297-K300 PolarHBondContact O-N 3.49Å; A297-E301 PolarHBondContact O-N 3.34Å; A297-E301 VanDerWaalsContact O-N 3.1Å
298E98.4Very high97.6Very high57 Ų5765.8 Ų65.827%0.26637%0.37SS..Hα-helixtrans-62.6-40.8176.4-66.5-171-179.600111F251 A293 N294 K300 E301 L302F251-E298 HydrophobicContact CD1-CB 4.04Å; F251-E298 HydrophobicContact CD1-CG 3.61Å; F251-E298 HydrophobicContact CD2-CB 4.4Å; F251-E298 HydrophobicContact CE1-CB 3.64Å; F251-E298 HydrophobicContact CE1-CG 3.66Å; F251-E298 HydrophobicContact CE2-CB 4.03Å; F251-E298 HydrophobicContact CG-CB 4.41Å; F251-E298 HydrophobicContact CG-CG 4.09Å; F251-E298 HydrophobicContact CZ-CB 3.64Å; F251-E298 HydrophobicContact CZ-CG 4.17Å; F251-E298 WeakPolarHBondContact CZ-O 3.22Å; A293-E298 HydrophobicContact CB-CB 3.79Å; N294-E298 WeakPolarHBondContact CA-OE2 3.24Å; N294-E298 WeakPolarHBondContact CB-OE2 3.4Å; N294-E298 PolarHBondContact N-OE2 2.95Å; E298-K300 VanDerWaalsContact C-N 3.29Å; E298-K300 PolarHBondContact O-N 3.42Å; E298-E301 PolarHBondContact O-N 2.92Å; E298-E301 VanDerWaalsContact O-N 3.15Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 PolarHBondContact O-N 3.39Å
299Q98.1Very high97.6Very high92 Ų9265.8 Ų65.843%0.4337%0.37SS..Hα-helixtrans-62.2-38.6178.1-176.46051.600111.7A293 G295 A297 S303A293-Q299 HydrophobicContact CB-CB 4.07Å; G295-Q299 WeakPolarHBondContact O-CB 3.42Å; G295-Q299 PolarHBondContact O-N 3.47Å; G295-Q299 VanDerWaalsContact O-N 3.09Å; A297-Q299 VanDerWaalsContact C-N 3.33Å; A297-Q299 PolarHBondContact O-N 2.98Å; Q299-S303 PolarHBondContact NE2-OG 3.27Å; Q299-S303 VanDerWaalsContact NE2-OG 3.09Å; Q299-S303 VanDerWaalsContact O-CB 3.22Å; Q299-S303 WeakPolarHBondContact O-CB 3.45Å; Q299-S303 PolarHBondContact O-N 3.38Å; Q299-S303 PolarHBondContact O-OG 3.13Å
300K97.8Very high97.8Very high164 Ų16462.8 Ų62.871%0.71335%0.354SS*.Hα-helixtrans-65-43176-176.9-177.6178.6-176.20111.2P296 A297 E298 A304P296-K300 WeakPolarHBondContact O-CB 3.41Å; P296-K300 PolarHBondContact O-N 3.38Å; A297-K300 WeakPolarHBondContact O-CB 3.39Å; A297-K300 PolarHBondContact O-N 3.49Å; E298-K300 VanDerWaalsContact C-N 3.29Å; E298-K300 PolarHBondContact O-N 3.42Å; K300-A304 WeakPolarHBondContact O-CB 3.39Å; K300-A304 PolarHBondContact O-N 3.14Å
301E98.3Very high97.9Very high87 Ų8755.2 Ų55.241%0.40733%0.326SS..Hα-helixtrans-64.4-50.5178.2-171.5179.3168.900111.7F251 M255 A297 E298 S303 A304 V305F251-E301 HydrophobicContact CE1-CB 4.4Å; F251-E301 HydrophobicContact CZ-CB 4.49Å; M255-E301 WeakPolarHBondContact CB-OE1 3.33Å; M255-E301 HydrophobicContact CE-CG 4.24Å; M255-E301 HydrophobicContact CG-CG 4.4Å; A297-E301 PolarHBondContact O-N 3.34Å; A297-E301 VanDerWaalsContact O-N 3.1Å; E298-E301 PolarHBondContact O-N 2.92Å; E298-E301 VanDerWaalsContact O-N 3.15Å; E301-S303 VanDerWaalsContact C-N 3.33Å; E301-S303 PolarHBondContact O-N 2.87Å; E301-A304 WeakPolarHBondContact O-CB 3.45Å; E301-A304 PolarHBondContact O-N 2.65Å; E301-A304 VanDerWaalsContact O-N 3.14Å; E301-V305 PolarHBondContact O-N 2.94Å; E301-V305 VanDerWaalsContact O-N 3.13Å
302L98.3Very high98Very high6 Ų656.2 Ų56.23%0.03133%0.331CS..Hα-helixtrans-55.9-48175.7177.258.3000111.3F251 M255 L288 I291 A293 E298 A304 V305 I306F251-L302 HydrophobicContact CE2-CB 4.4Å; F251-L302 HydrophobicContact CZ-CB 4.22Å; M255-L302 HydrophobicContact CE-CD1 4.48Å; M255-L302 HydrophobicContact SD-CD1 4.17Å; L288-L302 HydrophobicContact CD2-CD1 3.92Å; I291-L302 HydrophobicContact CB-CD1 3.97Å; I291-L302 HydrophobicContact CB-CD2 4Å; I291-L302 HydrophobicContact CD1-CD1 4.02Å; I291-L302 HydrophobicContact CG1-CD1 4.49Å; I291-L302 HydrophobicContact CG2-CD1 4.16Å; I291-L302 HydrophobicContact CG2-CD2 3.98Å; A293-L302 HydrophobicContact CB-CD2 4.23Å; E298-L302 WeakPolarHBondContact O-CB 3.47Å; E298-L302 PolarHBondContact O-N 3.39Å; L302-A304 VanDerWaalsContact C-N 3.3Å; L302-A304 PolarHBondContact O-N 3.2Å; L302-V305 PolarHBondContact O-N 3.36Å; L302-I306 HydrophobicContact CD1-CD1 3.94Å; L302-I306 HydrophobicContact CD1-CG1 4.25Å; L302-I306 HydrophobicContact CG-CD1 3.86Å; L302-I306 WeakPolarHBondContact O-CG1 3.35Å; L302-I306 PolarHBondContact O-N 3.41Å
303S98.1Very high98.1Very high24 Ų2450.2 Ų50.217%0.16830%0.295CS..Hα-helixtrans-61.9-37.7178.9-56.80000112.1Q299 E301 I306 V307Q299-S303 PolarHBondContact NE2-OG 3.27Å; Q299-S303 VanDerWaalsContact NE2-OG 3.09Å; Q299-S303 VanDerWaalsContact O-CB 3.22Å; Q299-S303 WeakPolarHBondContact O-CB 3.45Å; Q299-S303 PolarHBondContact O-N 3.38Å; Q299-S303 PolarHBondContact O-OG 3.13Å; E301-S303 VanDerWaalsContact C-N 3.33Å; E301-S303 PolarHBondContact O-N 2.87Å; S303-I306 PolarHBondContact O-N 3.49Å; S303-V307 WeakPolarHBondContact O-CB 3.44Å; S303-V307 VanDerWaalsContact O-CG2 3.24Å; S303-V307 WeakPolarHBondContact O-CG2 3.32Å; S303-V307 PolarHBondContact O-N 3.11Å
304A97.9Very high98.2Very high61 Ų6149.2 Ų49.250%0.50429%0.286SS..Hα-helixtrans-63.6-40.8177.300000111.9K300 E301 L302 A308K300-A304 WeakPolarHBondContact O-CB 3.39Å; K300-A304 PolarHBondContact O-N 3.14Å; E301-A304 WeakPolarHBondContact O-CB 3.45Å; E301-A304 PolarHBondContact O-N 2.65Å; E301-A304 VanDerWaalsContact O-N 3.14Å; L302-A304 VanDerWaalsContact C-N 3.3Å; L302-A304 PolarHBondContact O-N 3.2Å; A304-A308 WeakPolarHBondContact O-CB 3.46Å; A304-A308 PolarHBondContact O-N 3.26Å
305V98.3Very high98.3Very high9 Ų944.6 Ų44.66%0.05526%0.261CS..Hα-helixtrans-69-46.2176.9177.60000111.4M255 L288 E301 L302 V307 A308 V309M255-V305 HydrophobicContact CE-CB 3.71Å; M255-V305 HydrophobicContact CE-CG1 4.24Å; M255-V305 HydrophobicContact CE-CG2 3.31Å; L288-V305 HydrophobicContact CD1-CG1 3.9Å; L288-V305 HydrophobicContact CD2-CG1 4.04Å; E301-V305 PolarHBondContact O-N 2.94Å; E301-V305 VanDerWaalsContact O-N 3.13Å; L302-V305 PolarHBondContact O-N 3.36Å; V305-V307 VanDerWaalsContact C-N 3.32Å; V305-V307 PolarHBondContact O-N 3.02Å; V305-A308 PolarHBondContact O-N 2.92Å; V305-A308 VanDerWaalsContact O-N 3.15Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CG2 3.46Å; V305-V309 PolarHBondContact O-N 3.33Å
306I98.5Very high98.4Very high26 Ų2642.9 Ų42.913%0.13324%0.243CC..Hα-helixtrans-55.6-48.3175.8-70.7169.9000110.9L288 L302 S303 A308 V309 R310L288-I306 HydrophobicContact CB-CD1 4.36Å; L288-I306 HydrophobicContact CB-CG1 3.81Å; L288-I306 HydrophobicContact CD1-CG1 4.03Å; L288-I306 HydrophobicContact CG-CG1 4.4Å; L302-I306 HydrophobicContact CD1-CD1 3.94Å; L302-I306 HydrophobicContact CD1-CG1 4.25Å; L302-I306 HydrophobicContact CG-CD1 3.86Å; L302-I306 WeakPolarHBondContact O-CG1 3.35Å; L302-I306 PolarHBondContact O-N 3.41Å; S303-I306 PolarHBondContact O-N 3.49Å; I306-A308 VanDerWaalsContact C-N 3.35Å; I306-A308 PolarHBondContact O-N 2.87Å; I306-V309 PolarHBondContact O-N 3.02Å; I306-R310 HydrophobicContact CG2-CG 4.45Å; I306-R310 WeakPolarHBondContact O-CG 3.46Å; I306-R310 PolarHBondContact O-N 3.46Å
307V98.4Very high98.4Very high22 Ų2237.7 Ų37.713%0.13321%0.209CC..Hα-helixtrans-60.8-44.8178.3168.70000110.8S303 V305 V309 L311 V333 F337S303-V307 WeakPolarHBondContact O-CB 3.44Å; S303-V307 VanDerWaalsContact O-CG2 3.24Å; S303-V307 WeakPolarHBondContact O-CG2 3.32Å; S303-V307 PolarHBondContact O-N 3.11Å; V305-V307 VanDerWaalsContact C-N 3.32Å; V305-V307 PolarHBondContact O-N 3.02Å; V307-V309 PolarHBondContact O-N 3.04Å; V307-L311 HydrophobicContact CG1-CD1 3.7Å; V307-L311 HydrophobicContact CG1-CG 4.12Å; V307-L311 WeakPolarHBondContact O-CB 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.33Å; V307-V333 HydrophobicContact CG1-CG1 4.03Å; V307-V333 HydrophobicContact CG2-CG1 4.39Å; V307-F337 HydrophobicContact CG2-CD2 3.5Å; V307-F337 HydrophobicContact CG2-CE2 3.35Å; V307-F337 HydrophobicContact CG2-CZ 4.44Å
308A98.5Very high98.4Very high30 Ų3035.1 Ų35.125%0.24818%0.184CC..Hα-helixtrans-60.8-45.4179.200000112.3K262 A304 V305 I306 N312K262-A308 HydrophobicContact CD-CB 4.32Å; A304-A308 WeakPolarHBondContact O-CB 3.46Å; A304-A308 PolarHBondContact O-N 3.26Å; V305-A308 PolarHBondContact O-N 2.92Å; V305-A308 VanDerWaalsContact O-N 3.15Å; I306-A308 VanDerWaalsContact C-N 3.35Å; I306-A308 PolarHBondContact O-N 2.87Å; A308-N312 PolarHBondContact O-N 2.97Å
309V98.8Very high98.4Very high0 Ų038.8 Ų38.80%020%0.199CC..Hα-helixtrans-62.2-51.7178.6169.50000111.2K262 Y281 L284 D285 L288 V305 I306 V307 L311 N312 L313K262-V309 HydrophobicContact CD-CG2 4.41Å; K262-V309 HydrophobicContact CG-CG2 4.1Å; Y281-V309 HydrophobicContact CD1-CG1 4.04Å; Y281-V309 WeakPolarHBondContact O-CG1 3.31Å; L284-V309 HydrophobicContact CD2-CG2 3.64Å; L284-V309 HydrophobicContact CG-CG2 4.1Å; D285-V309 HydrophobicContact CB-CG1 4Å; L288-V309 HydrophobicContact CD1-CB 4.47Å; L288-V309 HydrophobicContact CD1-CG2 4.04Å; V305-V309 HydrophobicContact CG1-CG2 4.37Å; V305-V309 WeakPolarHBondContact O-CG2 3.46Å; V305-V309 PolarHBondContact O-N 3.33Å; I306-V309 PolarHBondContact O-N 3.02Å; V307-V309 PolarHBondContact O-N 3.04Å; V309-L311 VanDerWaalsContact C-N 3.33Å; V309-L311 PolarHBondContact O-N 3.24Å; V309-N312 PolarHBondContact O-N 3.09Å; V309-N312 VanDerWaalsContact O-N 3.12Å; V309-L313 HydrophobicContact CG1-CD1 4.15Å; V309-L313 PolarHBondContact O-N 3.15Å
310R98.7Very high98.4Very high35 Ų3536.5 Ų36.513%0.13219%0.19CC..Hα-helixtrans-64-38.7-179.7-69178.2176.7171.81.9112.8D285 I306 L313 G314 F329 V333D285-R310 VanDerWaalsContact OD1-CG 3.25Å; D285-R310 WeakPolarHBondContact OD1-CG 3.4Å; D285-R310 IonicContact OD1-CZ 2.79Å; D285-R310 IonicContact OD1-NE 3.87Å; D285-R310 PolarHBondContact OD1-NE 2.96Å; D285-R310 IonicContact OD1-NH2 3.44Å; D285-R310 PolarHBondContact OD1-NH2 3.1Å; D285-R310 IonicContact OD2-NE 3.96Å; I306-R310 HydrophobicContact CG2-CG 4.45Å; I306-R310 WeakPolarHBondContact O-CG 3.46Å; I306-R310 PolarHBondContact O-N 3.46Å; R310-L313 PolarHBondContact O-N 3.28Å; R310-G314 PolarHBondContact O-N 3.15Å; R310-F329 HydrophobicContact CB-CD1 4.46Å; R310-F329 HydrophobicContact CG-CD1 4.24Å; R310-V333 HydrophobicContact CB-CG2 3.6Å
311L98.7Very high98.4Very high11 Ų1133 Ų336%0.05819%0.185CC..Hα-helixtrans-58.2-51.3172-82.3-176.8000110V307 V309 L313 G314 L315 V333 K342 A343 R346V307-L311 HydrophobicContact CG1-CD1 3.7Å; V307-L311 HydrophobicContact CG1-CG 4.12Å; V307-L311 WeakPolarHBondContact O-CB 3.3Å; V307-L311 WeakPolarHBondContact O-CG 3.35Å; V307-L311 PolarHBondContact O-N 3.33Å; V309-L311 VanDerWaalsContact C-N 3.33Å; V309-L311 PolarHBondContact O-N 3.24Å; L311-L313 PolarHBondContact O-N 3.45Å; L311-G314 PolarHBondContact O-N 2.94Å; L311-G314 VanDerWaalsContact O-N 3.15Å; L311-L315 PolarHBondContact O-N 3.01Å; L311-V333 HydrophobicContact CD2-CG1 4.41Å; L311-V333 HydrophobicContact CD2-CG2 4.42Å; L311-V333 HydrophobicContact CG-CG2 4.31Å; L311-K342 HydrophobicContact CD1-CB 4.04Å; L311-K342 HydrophobicContact CD1-CD 4.1Å; L311-K342 HydrophobicContact CD2-CB 3.93Å; L311-A343 HydrophobicContact CD2-CB 3.8Å; L311-R346 VanDerWaalsContact CA-NH1 3.29Å; L311-R346 PolarHBondContact O-NH1 2.94Å
312N98.7Very high98.3Very high35 Ų3533.6 Ų33.619%0.18719%0.186CC..Hα-helixtrans-66.2-36.6-178.8-73.4-4.7000112.6N266 L269 Y281 A308 V309 G314 L315 T316N266-N312 PolarHBondContact OD1-ND2 3.28Å; L269-N312 HydrophobicContact CD2-CB 4.34Å; Y281-N312 HydrophobicContact CE1-CB 3.8Å; Y281-N312 HydrophobicContact CE2-CB 3.97Å; Y281-N312 VanDerWaalsContact CZ-CB 3.47Å; Y281-N312 WeakPolarHBondContact OH-CB 3.35Å; Y281-N312 PolarHBondContact OH-ND2 3.04Å; A308-N312 PolarHBondContact O-N 2.97Å; V309-N312 PolarHBondContact O-N 3.09Å; V309-N312 VanDerWaalsContact O-N 3.12Å; N312-G314 VanDerWaalsContact C-N 3.33Å; N312-G314 PolarHBondContact O-N 3.21Å; N312-L315 WeakPolarHBondContact O-CB 3.43Å; N312-L315 PolarHBondContact O-N 3.26Å; N312-L315 VanDerWaalsContact O-N 3.13Å; N312-T316 PolarHBondContact O-N 3.36Å; N312-T316 PolarHBondContact O-OG1 3.41Å
313L98.6Very high98.4Very high0 Ų034.2 Ų34.20%019%0.19CC..Hα-helixtrans-54.7-48.3167.9-82165.3000112.1I278 Y281 K282 D285 V309 R310 L311 L315 T316 Y317 F329I278-L313 HydrophobicContact CG1-CD2 4.5Å; Y281-L313 VanDerWaalsContact CB-CD2 3.41Å; Y281-L313 VanDerWaalsContact CB-CG 3.47Å; Y281-L313 HydrophobicContact CD2-CD2 4.29Å; Y281-L313 HydrophobicContact CD2-CG 4.37Å; Y281-L313 HydrophobicContact CG-CD2 4.23Å; Y281-L313 HydrophobicContact CG-CG 4.08Å; K282-L313 HydrophobicContact CG-CD1 4.49Å; K282-L313 HydrophobicContact CG-CD2 4.02Å; D285-L313 HydrophobicContact CB-CD1 4.2Å; V309-L313 HydrophobicContact CG1-CD1 4.15Å; V309-L313 PolarHBondContact O-N 3.15Å; R310-L313 PolarHBondContact O-N 3.28Å; L311-L313 PolarHBondContact O-N 3.45Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.45Å; L313-T316 PolarHBondContact O-N 3.2Å; L313-Y317 HydrophobicContact CD2-CE2 4.27Å; L313-Y317 WeakPolarHBondContact O-CD2 3.44Å; L313-Y317 PolarHBondContact O-N 3.31Å; L313-F329 HydrophobicContact CB-CB 4.32Å; L313-F329 HydrophobicContact CB-CD1 4.07Å; L313-F329 HydrophobicContact CB-CD2 4.02Å; L313-F329 HydrophobicContact CB-CE1 4.44Å; L313-F329 HydrophobicContact CB-CE2 4.42Å; L313-F329 HydrophobicContact CB-CG 3.86Å; L313-F329 HydrophobicContact CD1-CD1 3.76Å; L313-F329 HydrophobicContact CD1-CE1 3.47Å; L313-F329 VanDerWaalsContact CD1-CE1 3.47Å; L313-F329 HydrophobicContact CD1-CE2 4.46Å; L313-F329 HydrophobicContact CD1-CG 4.37Å; L313-F329 HydrophobicContact CD1-CZ 3.86Å; L313-F329 HydrophobicContact CG-CE1 4.48Å
314G98.6Very high98.4Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-57.1-43.4175.300000112.4R310 L311 N312 Y317 L318 C326R310-G314 PolarHBondContact O-N 3.15Å; L311-G314 PolarHBondContact O-N 2.94Å; L311-G314 VanDerWaalsContact O-N 3.15Å; N312-G314 VanDerWaalsContact C-N 3.33Å; N312-G314 PolarHBondContact O-N 3.21Å; G314-Y317 PolarHBondContact O-N 3Å; G314-L318 WeakPolarHBondContact O-CB 3.37Å; G314-L318 PolarHBondContact O-N 3.01Å; G314-C326 PolarHBondContact O-SG 3.13Å
315L98.7Very high98.4Very high45 Ų4538.7 Ų38.724%0.23620%0.2CC..Hα-helixtrans-63.3-45.3175.4178.158.8000112.4L269 L311 N312 L313 Y317 L318 K319L269-L315 HydrophobicContact CD2-CD2 4.09Å; L269-L315 HydrophobicContact CD2-CG 4.45Å; L311-L315 PolarHBondContact O-N 3.01Å; N312-L315 WeakPolarHBondContact O-CB 3.43Å; N312-L315 PolarHBondContact O-N 3.26Å; N312-L315 VanDerWaalsContact O-N 3.13Å; L313-L315 VanDerWaalsContact C-N 3.3Å; L313-L315 PolarHBondContact O-N 3.45Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.22Å; L315-L318 WeakPolarHBondContact O-CB 3.06Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-K319 HydrophobicContact CD1-CG 4.46Å; L315-K319 WeakPolarHBondContact O-CG 3.45Å; L315-K319 PolarHBondContact O-N 3.23Å
316T98.6Very high98.4Very high0 Ų038.2 Ų38.20%020%0.197CC..Hα-helixtrans-61.6-42.8179.4-51.60000111.1L269 F274 A277 I278 N312 L313 L318 K319 L320L269-T316 HydrophobicContact CD1-CG2 4.14Å; L269-T316 WeakPolarHBondContact CD1-OG1 3.5Å; F274-T316 HydrophobicContact CB-CG2 3.82Å; F274-T316 HydrophobicContact CD1-CG2 3.93Å; F274-T316 HydrophobicContact CG-CG2 4.28Å; F274-T316 WeakPolarHBondContact O-CG2 3.44Å; A277-T316 HydrophobicContact CB-CG2 4.26Å; I278-T316 HydrophobicContact CD1-CG2 3.91Å; I278-T316 HydrophobicContact CG1-CG2 3.64Å; N312-T316 PolarHBondContact O-N 3.36Å; N312-T316 PolarHBondContact O-OG1 3.41Å; L313-T316 PolarHBondContact O-N 3.2Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.92Å; T316-K319 WeakPolarHBondContact O-CB 3.12Å; T316-K319 PolarHBondContact O-N 3.11Å; T316-L320 PolarHBondContact O-N 3.32Å; T316-L320 VanDerWaalsContact O-N 3.14Å
317Y98.7Very high98.4Very high11 Ų1137.5 Ų37.54%0.04319%0.194CC..Hα-helixtrans-66.4-35.2175.2-79.4-58.8000113.6I278 K282 L313 G314 L315 K319 L320 C321 K322 K325 F329I278-Y317 HydrophobicContact CD1-CD1 3.91Å; I278-Y317 HydrophobicContact CD1-CE1 3.5Å; I278-Y317 HydrophobicContact CD1-CE2 4.48Å; I278-Y317 HydrophobicContact CG1-CE1 4.24Å; I278-Y317 HydrophobicContact CG1-CE2 4.38Å; I278-Y317 VanDerWaalsContact CG2-OH 3.31Å; I278-Y317 WeakPolarHBondContact CG2-OH 3.37Å; K282-Y317 WeakPolarHBondContact CE-OH 3.23Å; K282-Y317 PolarHBondContact NZ-OH 3.44Å; L313-Y317 HydrophobicContact CD2-CE2 4.27Å; L313-Y317 WeakPolarHBondContact O-CD2 3.44Å; L313-Y317 PolarHBondContact O-N 3.31Å; G314-Y317 PolarHBondContact O-N 3Å; L315-Y317 VanDerWaalsContact C-N 3.33Å; L315-Y317 PolarHBondContact O-N 3.22Å; Y317-K319 VanDerWaalsContact C-N 3.33Å; Y317-L320 PolarHBondContact O-N 3.39Å; Y317-C321 PolarHBondContact O-N 3.14Å; Y317-K322 HydrophobicContact CD1-CB 3.92Å; Y317-K322 HydrophobicContact CD1-CD 4.06Å; Y317-K322 HydrophobicContact CE1-CD 4.27Å; Y317-K322 PolarHBondContact O-N 2.99Å; Y317-K325 HydrophobicContact CD1-CB 3.51Å; Y317-K325 HydrophobicContact CD1-CG 4.17Å; Y317-K325 HydrophobicContact CD2-CB 3.64Å; Y317-K325 HydrophobicContact CE1-CB 3.74Å; Y317-K325 HydrophobicContact CE1-CG 3.96Å; Y317-K325 HydrophobicContact CE2-CB 3.87Å; Y317-K325 HydrophobicContact CG-CB 3.46Å; Y317-K325 VanDerWaalsContact CG-CB 3.46Å; Y317-F329 AromaticContact CD2-CD2 3.91Å; Y317-F329 HydrophobicContact CD2-CD2 3.91Å; Y317-F329 HydrophobicContact CD2-CE2 4.09Å; Y317-F329 AromaticContact CE2-CD2 3.8Å; Y317-F329 HydrophobicContact CE2-CD2 3.8Å; Y317-F329 AromaticContact CE2-CE2 3.49Å; Y317-F329 HydrophobicContact CE2-CE2 3.49Å; Y317-F329 VanDerWaalsContact CE2-CE2 3.49Å
318L98.1Very high98.4Very high23 Ų2339.9 Ų39.912%0.1220%0.203CC..Hα-helixtrans-63.1-41173.2-170.472.6000111.4G314 L315 T316 L320 C321 Q349 A350 L353G314-L318 WeakPolarHBondContact O-CB 3.37Å; G314-L318 PolarHBondContact O-N 3.01Å; L315-L318 WeakPolarHBondContact O-CB 3.06Å; L315-L318 PolarHBondContact O-N 3.35Å; T316-L318 VanDerWaalsContact C-N 3.35Å; T316-L318 PolarHBondContact O-N 2.92Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.28Å; L318-C321 PolarHBondContact O-N 3.26Å; L318-C321 VanDerWaalsContact O-N 3.11Å; L318-Q349 HydrophobicContact CD1-CB 3.84Å; L318-Q349 HydrophobicContact CD2-CB 3.78Å; L318-Q349 HydrophobicContact CD2-CG 4.36Å; L318-Q349 HydrophobicContact CG-CB 4.47Å; L318-A350 HydrophobicContact CD1-CB 4.41Å; L318-L353 HydrophobicContact CD1-CD1 3.6Å; L318-L353 HydrophobicContact CD1-CG 4.4Å
319K98Very high98.4Very high133 Ų13338.7 Ų38.758%0.57819%0.192SC*.Hα-helixtrans-64.2-29.7175.8-69.5-69.5-175175.70113.4F274 L315 T316 Y317 C321F274-K319 HydrophobicContact CD1-CB 4.24Å; F274-K319 HydrophobicContact CE1-CB 3.71Å; F274-K319 HydrophobicContact CE1-CG 4.05Å; F274-K319 HydrophobicContact CE2-CB 4.33Å; F274-K319 HydrophobicContact CZ-CB 3.77Å; F274-K319 HydrophobicContact CZ-CG 4.29Å; L315-K319 HydrophobicContact CD1-CG 4.46Å; L315-K319 WeakPolarHBondContact O-CG 3.45Å; L315-K319 PolarHBondContact O-N 3.23Å; T316-K319 WeakPolarHBondContact O-CB 3.12Å; T316-K319 PolarHBondContact O-N 3.11Å; Y317-K319 VanDerWaalsContact C-N 3.33Å; K319-C321 VanDerWaalsContact C-N 3.3Å
320L97.5Very high98.4Very high45 Ų4538.7 Ų38.724%0.23619%0.192CC..THydrogen-bonded Turntrans-86.47.3174.7-72.7175.6000114F274 I278 T316 Y317 L318 K322F274-L320 HydrophobicContact CB-CD1 3.86Å; F274-L320 HydrophobicContact CB-CD2 3.84Å; F274-L320 HydrophobicContact CB-CG 3.83Å; F274-L320 HydrophobicContact CD2-CD2 3.64Å; F274-L320 HydrophobicContact CD2-CG 4.12Å; F274-L320 HydrophobicContact CG-CD2 4.05Å; F274-L320 HydrophobicContact CG-CG 4.11Å; I278-L320 HydrophobicContact CD1-CD1 3.4Å; T316-L320 PolarHBondContact O-N 3.32Å; T316-L320 VanDerWaalsContact O-N 3.14Å; Y317-L320 PolarHBondContact O-N 3.39Å; L318-L320 VanDerWaalsContact C-N 3.27Å; L318-L320 PolarHBondContact O-N 3.28Å; L320-K322 HydrophobicContact CB-CD 4.28Å; L320-K322 HydrophobicContact CB-CG 4.23Å; L320-K322 PolarHBondContact O-N 3.48Å
321C97.7Very high98.4Very high91 Ų9143.8 Ų43.862%0.61521%0.212SC*.THydrogen-bonded Turntrans53.637.4-174.6-60.80000113.3Y317 L318 K319 P323Y317-C321 PolarHBondContact O-N 3.14Å; L318-C321 PolarHBondContact O-N 3.26Å; L318-C321 VanDerWaalsContact O-N 3.11Å; K319-C321 VanDerWaalsContact C-N 3.3Å; C321-P323 WeakPolarHBondContact O-CD 3.49Å
322K98.1Very high98.4Very high99 Ų9946.3 Ų46.343%0.4322%0.222SC..  trans-108.173.6176.5-68.8-178.8-179.2178.20110Y317 L320 D324 K325 C326Y317-K322 HydrophobicContact CD1-CB 3.92Å; Y317-K322 HydrophobicContact CD1-CD 4.06Å; Y317-K322 HydrophobicContact CE1-CD 4.27Å; Y317-K322 PolarHBondContact O-N 2.99Å; L320-K322 HydrophobicContact CB-CD 4.28Å; L320-K322 HydrophobicContact CB-CG 4.23Å; L320-K322 PolarHBondContact O-N 3.48Å; K322-D324 VanDerWaalsContact C-N 3.3Å; K322-D324 PolarHBondContact O-N 3.46Å; K322-K325 PolarHBondContact O-N 2.95Å; K322-C326 PolarHBondContact O-N 3.21Å
323P98.3Very high98.4Very high19 Ų1944.7 Ų44.712%0.12321%0.214CC..Hα-helixtrans-60.4-37.9-170.623.2-33.8000113.1C321 K325 C326 I327 A350 L353 R354C321-P323 WeakPolarHBondContact O-CD 3.49Å; P323-K325 VanDerWaalsContact C-N 3.33Å; P323-K325 PolarHBondContact O-N 3.48Å; P323-C326 WeakPolarHBondContact O-CB 3.26Å; P323-C326 PolarHBondContact O-N 3.25Å; P323-C326 VanDerWaalsContact O-N 3.11Å; P323-I327 WeakPolarHBondContact O-CG1 3.43Å; P323-I327 PolarHBondContact O-N 2.99Å; P323-A350 HydrophobicContact CB-CB 4Å; P323-A350 VanDerWaalsContact CB-O 3.23Å; P323-A350 WeakPolarHBondContact CB-O 3.42Å; P323-L353 HydrophobicContact CB-CB 4.16Å; P323-L353 HydrophobicContact CG-CB 4.31Å; P323-R354 HydrophobicContact CB-CG 3.97Å; P323-R354 HydrophobicContact CG-CG 3.76Å
324D98.4Very high98.3Very high95 Ų9546 Ų4651%0.50822%0.22SC..Hα-helixtrans-58.4-44.9-177.8-59.510.3000112.1K322 I327 E328 R354K322-D324 VanDerWaalsContact C-N 3.3Å; K322-D324 PolarHBondContact O-N 3.46Å; D324-I327 PolarHBondContact O-N 3.15Å; D324-E328 PolarHBondContact O-N 2.94Å; D324-R354 IonicContact OD1-CZ 3.87Å; D324-R354 IonicContact OD1-NE 3.96Å; D324-R354 PolarHBondContact OD1-NE 2.89Å; D324-R354 IonicContact OD1-NH2 3.98Å; D324-R354 PolarHBondContact OD1-NH2 3.33Å; D324-R354 IonicContact OD2-NH2 3.12Å
325K98.4Very high98.3Very high83 Ų8352 Ų5236%0.36125%0.252SS..Hα-helixtrans-72.5-35.4177-70.3-54.6-165.9-173.80112Y317 K322 P323 I327 E328 F329Y317-K325 HydrophobicContact CD1-CB 3.51Å; Y317-K325 HydrophobicContact CD1-CG 4.17Å; Y317-K325 HydrophobicContact CD2-CB 3.64Å; Y317-K325 HydrophobicContact CE1-CB 3.74Å; Y317-K325 HydrophobicContact CE1-CG 3.96Å; Y317-K325 HydrophobicContact CE2-CB 3.87Å; Y317-K325 HydrophobicContact CG-CB 3.46Å; Y317-K325 VanDerWaalsContact CG-CB 3.46Å; K322-K325 PolarHBondContact O-N 2.95Å; P323-K325 VanDerWaalsContact C-N 3.33Å; P323-K325 PolarHBondContact O-N 3.48Å; K325-I327 VanDerWaalsContact C-N 3.32Å; K325-I327 PolarHBondContact O-N 3.43Å; K325-E328 WeakPolarHBondContact CD-OE2 3.35Å; K325-E328 IonicContact NZ-OE2 2.62Å; K325-E328 PolarHBondContact NZ-OE2 3.03Å; K325-E328 WeakPolarHBondContact O-CB 3.41Å; K325-E328 PolarHBondContact O-N 2.84Å; K325-F329 VanDerWaalsContact O-CD2 3.32Å; K325-F329 WeakPolarHBondContact O-CD2 3.45Å; K325-F329 PolarHBondContact O-N 2.93Å
326C98.6Very high98.1Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-58.2-47.3171.7177.30000111.2G314 K322 P323 E328 F329 C330 A350G314-C326 PolarHBondContact O-SG 3.13Å; K322-C326 PolarHBondContact O-N 3.21Å; P323-C326 WeakPolarHBondContact O-CB 3.26Å; P323-C326 PolarHBondContact O-N 3.25Å; P323-C326 VanDerWaalsContact O-N 3.11Å; C326-E328 PolarHBondContact O-N 3.31Å; C326-F329 PolarHBondContact O-N 3.04Å; C326-C330 WeakPolarHBondContact O-CB 3.43Å; C326-C330 PolarHBondContact O-N 3.18Å; C326-C330 PolarHBondContact O-SG 2.96Å; C326-A350 HydrophobicContact CB-CB 4.08Å
327I98.6Very high98Very high11 Ų1158.8 Ų58.86%0.05629%0.288CS..Hα-helixtrans-60.1-45.5178.4-73164.7000111.2P323 D324 K325 F329 C330 R331 M347 A350P323-I327 WeakPolarHBondContact O-CG1 3.43Å; P323-I327 PolarHBondContact O-N 2.99Å; D324-I327 PolarHBondContact O-N 3.15Å; K325-I327 VanDerWaalsContact C-N 3.32Å; K325-I327 PolarHBondContact O-N 3.43Å; I327-F329 PolarHBondContact O-N 3.48Å; I327-C330 PolarHBondContact O-N 2.85Å; I327-R331 VanDerWaalsContact O-CB 3.32Å; I327-R331 WeakPolarHBondContact O-CB 3.5Å; I327-R331 PolarHBondContact O-N 2.65Å; I327-M347 HydrophobicContact CB-CE 4.39Å; I327-M347 HydrophobicContact CB-SD 4.01Å; I327-M347 HydrophobicContact CG1-CE 4.12Å; I327-M347 HydrophobicContact CG1-SD 3.9Å; I327-M347 HydrophobicContact CG2-CE 3.82Å; I327-M347 HydrophobicContact CG2-SD 3.91Å; I327-A350 HydrophobicContact CD1-CB 4.04Å; I327-A350 HydrophobicContact CG1-CB 3.67Å
328E98.4Very high97.7Very high71 Ų7160.2 Ų60.233%0.33231%0.306SS..Hα-helixtrans-51.7-52.8177.6-172.1-167.6139.800111.9D324 K325 C326 K332D324-E328 PolarHBondContact O-N 2.94Å; K325-E328 WeakPolarHBondContact CD-OE2 3.35Å; K325-E328 IonicContact NZ-OE2 2.62Å; K325-E328 PolarHBondContact NZ-OE2 3.03Å; K325-E328 WeakPolarHBondContact O-CB 3.41Å; K325-E328 PolarHBondContact O-N 2.84Å; C326-E328 PolarHBondContact O-N 3.31Å; E328-K332 PolarHBondContact O-N 2.99Å; E328-K332 IonicContact OE1-NZ 3.61Å
329F98.5Very high97.6Very high5 Ų564 Ų642%0.02233%0.327CS..Hα-helixtrans-74.1-34.6-178-75.3-74.6000113.4K282 R310 L313 Y317 K325 C326 I327 K332 V333K282-F329 HydrophobicContact CG-CZ 4.39Å; R310-F329 HydrophobicContact CB-CD1 4.46Å; R310-F329 HydrophobicContact CG-CD1 4.24Å; L313-F329 HydrophobicContact CB-CB 4.32Å; L313-F329 HydrophobicContact CB-CD1 4.07Å; L313-F329 HydrophobicContact CB-CD2 4.02Å; L313-F329 HydrophobicContact CB-CE1 4.44Å; L313-F329 HydrophobicContact CB-CE2 4.42Å; L313-F329 HydrophobicContact CB-CG 3.86Å; L313-F329 HydrophobicContact CD1-CD1 3.76Å; L313-F329 HydrophobicContact CD1-CE1 3.47Å; L313-F329 VanDerWaalsContact CD1-CE1 3.47Å; L313-F329 HydrophobicContact CD1-CE2 4.46Å; L313-F329 HydrophobicContact CD1-CG 4.37Å; L313-F329 HydrophobicContact CD1-CZ 3.86Å; L313-F329 HydrophobicContact CG-CE1 4.48Å; Y317-F329 AromaticContact CD2-CD2 3.91Å; Y317-F329 HydrophobicContact CD2-CD2 3.91Å; Y317-F329 HydrophobicContact CD2-CE2 4.09Å; Y317-F329 AromaticContact CE2-CD2 3.8Å; Y317-F329 HydrophobicContact CE2-CD2 3.8Å; Y317-F329 AromaticContact CE2-CE2 3.49Å; Y317-F329 HydrophobicContact CE2-CE2 3.49Å; Y317-F329 VanDerWaalsContact CE2-CE2 3.49Å; K325-F329 VanDerWaalsContact O-CD2 3.32Å; K325-F329 WeakPolarHBondContact O-CD2 3.45Å; K325-F329 PolarHBondContact O-N 2.93Å; C326-F329 PolarHBondContact O-N 3.04Å; I327-F329 PolarHBondContact O-N 3.48Å; F329-K332 HydrophobicContact CD1-CD 4.28Å; F329-K332 PolarHBondContact O-N 2.84Å; F329-V333 PolarHBondContact O-N 3.17Å
330C98.7Very high97.5Very high0 Ų059.3 Ų59.30%031%0.308CS..Hα-helixtrans-67.8-36.8175.6-66.40000111.6C326 I327 V333 L334 A343 M347C326-C330 WeakPolarHBondContact O-CB 3.43Å; C326-C330 PolarHBondContact O-N 3.18Å; C326-C330 PolarHBondContact O-SG 2.96Å; I327-C330 PolarHBondContact O-N 2.85Å; C330-V333 WeakPolarHBondContact O-CB 3.4Å; C330-V333 PolarHBondContact O-N 3.25Å; C330-L334 WeakPolarHBondContact O-CG 3.49Å; C330-L334 PolarHBondContact O-N 3.45Å; C330-A343 HydrophobicContact CB-CB 4.26Å; C330-M347 HydrophobicContact CB-CG 3.64Å; C330-M347 HydrophobicContact CB-SD 3.63Å
331R98.5Very high97.6Very high143 Ų14360.4 Ų60.454%0.5431%0.312SS..Hα-helixtrans-61.3-47.4174.6-175177.3-71.6166.6-3.5111.5I327 V333 L334 D335I327-R331 VanDerWaalsContact O-CB 3.32Å; I327-R331 WeakPolarHBondContact O-CB 3.5Å; I327-R331 PolarHBondContact O-N 2.65Å; R331-V333 PolarHBondContact O-N 2.82Å; R331-L334 PolarHBondContact O-N 3.11Å; R331-D335 VanDerWaalsContact O-CG 3.23Å; R331-D335 PolarHBondContact O-N 2.61Å
332K98.2Very high97.6Very high63 Ų6362.6 Ų62.627%0.27431%0.311SS..Hα-helixtrans-53.3-29.9174.5-72.8178.3174.7179.10113.5D285 E328 F329D285-K332 IonicContact OD2-NZ 3.82Å; E328-K332 PolarHBondContact O-N 2.99Å; E328-K332 IonicContact OE1-NZ 3.61Å; F329-K332 HydrophobicContact CD1-CD 4.28Å; F329-K332 PolarHBondContact O-N 2.84Å
333V98.5Very high97.6Very high2 Ų257.9 Ų57.91%0.01229%0.29CS..Hα-helixtrans-78.9-43.8174.6174.90000111.2V307 R310 L311 F329 C330 R331 D335 V336 F337 N340 A343V307-V333 HydrophobicContact CG1-CG1 4.03Å; V307-V333 HydrophobicContact CG2-CG1 4.39Å; R310-V333 HydrophobicContact CB-CG2 3.6Å; L311-V333 HydrophobicContact CD2-CG1 4.41Å; L311-V333 HydrophobicContact CD2-CG2 4.42Å; L311-V333 HydrophobicContact CG-CG2 4.31Å; F329-V333 PolarHBondContact O-N 3.17Å; C330-V333 WeakPolarHBondContact O-CB 3.4Å; C330-V333 PolarHBondContact O-N 3.25Å; R331-V333 PolarHBondContact O-N 2.82Å; V333-D335 VanDerWaalsContact C-N 3.33Å; V333-D335 PolarHBondContact O-N 2.89Å; V333-V336 PolarHBondContact O-N 3.48Å; V333-F337 PolarHBondContact O-N 3.49Å; V333-N340 HydrophobicContact CG1-CB 3.84Å; V333-A343 HydrophobicContact CB-CB 4.15Å; V333-A343 HydrophobicContact CG1-CB 3.99Å
334L98Very high97.6Very high27 Ų2757.2 Ų57.214%0.14129%0.286CS..Hα-helixtrans-69.2-28.1-178.3-67.1173.5000113.4C330 R331 V336 F337 G338 N340 A343 L344 M347C330-L334 WeakPolarHBondContact O-CG 3.49Å; C330-L334 PolarHBondContact O-N 3.45Å; R331-L334 PolarHBondContact O-N 3.11Å; L334-V336 PolarHBondContact O-N 2.82Å; L334-F337 CarbonylContact O-C 3.4Å; L334-F337 PolarHBondContact O-N 2.92Å; L334-G338 WeakPolarHBondContact O-CA 3.38Å; L334-G338 PolarHBondContact O-N 2.84Å; L334-N340 HydrophobicContact CD2-CB 4.27Å; L334-A343 HydrophobicContact CD1-CB 4.41Å; L334-A343 HydrophobicContact CD2-CB 3.83Å; L334-A343 HydrophobicContact CG-CB 3.85Å; L334-L344 HydrophobicContact CD1-CD2 3.9Å; L334-L344 HydrophobicContact CD2-CD2 3.81Å; L334-L344 HydrophobicContact CD2-CG 3.84Å; L334-M347 HydrophobicContact CD1-CG 3.96Å
335D97.3Very high97.6Very high125 Ų12554.5 Ų54.567%0.66827%0.269SS*.THydrogen-bonded Turntrans-62.4-29176.2-65.2-22.2000112R331 V333R331-D335 VanDerWaalsContact O-CG 3.23Å; R331-D335 PolarHBondContact O-N 2.61Å; V333-D335 VanDerWaalsContact C-N 3.33Å; V333-D335 PolarHBondContact O-N 2.89Å
336V95.1Very high97.6Very high99 Ų9951.9 Ų51.960%0.626%0.257SS*.THydrogen-bonded Turntrans-98.4-39.5175.5-173.40000111.5V333 L334V333-V336 PolarHBondContact O-N 3.48Å; L334-V336 PolarHBondContact O-N 2.82Å
337F95.6Very high97.6Very high89 Ų8952 Ų5239%0.3926%0.258SS..  trans-12773.9-176.1-57.7-75.9000110.4V307 V333 L334 N339 N340V307-F337 HydrophobicContact CG2-CD2 3.5Å; V307-F337 HydrophobicContact CG2-CE2 3.35Å; V307-F337 HydrophobicContact CG2-CZ 4.44Å; V333-F337 PolarHBondContact O-N 3.49Å; L334-F337 CarbonylContact O-C 3.4Å; L334-F337 PolarHBondContact O-N 2.92Å; F337-N339 PolarHBondContact O-N 2.96Å; F337-N340 HydrophobicContact CB-CB 4.17Å; F337-N340 WeakPolarHBondContact O-CB 3.42Å; F337-N340 PolarHBondContact O-N 3.22Å
338G93.7Very high97.6Very high41 Ų4151.4 Ų51.442%0.42326%0.255SS..THydrogen-bonded Turntrans-58.4-10.9-17300000116.4L334L334-G338 WeakPolarHBondContact O-CA 3.38Å; L334-G338 PolarHBondContact O-N 2.84Å
339N94.7Very high97.6Very high104 Ų10450.8 Ų50.856%0.55625%0.252SS*.THydrogen-bonded Turntrans-112.114.1178.5-58.1-44.7000113.6F337 E341 K370F337-N339 PolarHBondContact O-N 2.96Å; N339-E341 PolarHBondContact O-N 2.73Å; N339-K370 HydrophobicContact CB-CD 4.44Å; N339-K370 PolarHBondContact ND2-NZ 3.12Å; N339-K370 PolarHBondContact OD1-NZ 3.02Å
340N97.7Very high97.6Very high34 Ų3450.5 Ų50.518%0.18225%0.251CS..  trans-64.3104.2177.4-172.2-66.3000109.9V333 L334 F337 K342 A343 L344V333-N340 HydrophobicContact CG1-CB 3.84Å; L334-N340 HydrophobicContact CD2-CB 4.27Å; F337-N340 HydrophobicContact CB-CB 4.17Å; F337-N340 WeakPolarHBondContact O-CB 3.42Å; F337-N340 PolarHBondContact O-N 3.22Å; N340-K342 VanDerWaalsContact C-N 3.29Å; N340-K342 PolarHBondContact O-N 3.34Å; N340-K342 PolarHBondContact OD1-N 3.38Å; N340-A343 HydrophobicContact CB-CB 4.06Å; N340-A343 PolarHBondContact O-N 3.48Å; N340-A343 VanDerWaalsContact O-N 3.12Å; N340-A343 PolarHBondContact OD1-N 3.19Å; N340-L344 PolarHBondContact O-N 2.84Å
341E97.8Very high97.6Very high67 Ų6751.2 Ų51.231%0.31325%0.254SS..Hα-helixtrans-59.1-38.3-173.1-172.4172.5175.500112.6N339 L344 F345 I367 N371 N374N339-E341 PolarHBondContact O-N 2.73Å; E341-L344 PolarHBondContact O-N 3.42Å; E341-F345 VanDerWaalsContact O-CB 3.25Å; E341-F345 WeakPolarHBondContact O-CB 3.44Å; E341-F345 PolarHBondContact O-N 3.04Å; E341-I367 HydrophobicContact CG-CG1 4.35Å; E341-I367 HydrophobicContact CG-CG2 3.87Å; E341-N371 PolarHBondContact OE1-ND2 3.45Å; E341-N371 PolarHBondContact OE2-ND2 2.96Å; E341-N374 PolarHBondContact OE1-ND2 3.28Å
342K98.2Very high97.6Very high137 Ų13746.2 Ų46.260%0.59624%0.238SC*.Hα-helixtrans-65.4-41.2177.2-68.9179.6179.4176.30112L311 N340 R346L311-K342 HydrophobicContact CD1-CB 4.04Å; L311-K342 HydrophobicContact CD1-CD 4.1Å; L311-K342 HydrophobicContact CD2-CB 3.93Å; N340-K342 VanDerWaalsContact C-N 3.29Å; N340-K342 PolarHBondContact O-N 3.34Å; N340-K342 PolarHBondContact OD1-N 3.38Å; K342-R346 WeakPolarHBondContact O-CB 3.08Å; K342-R346 WeakPolarHBondContact O-CD 3.15Å; K342-R346 VanDerWaalsContact O-CG 3.27Å; K342-R346 WeakPolarHBondContact O-CG 3.35Å; K342-R346 PolarHBondContact O-N 2.97Å; K342-R346 VanDerWaalsContact O-N 3.09Å
343A98.6Very high97.6Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-67.9-46.4176.800000111.2L311 C330 V333 L334 N340 F345 R346 M347L311-A343 HydrophobicContact CD2-CB 3.8Å; C330-A343 HydrophobicContact CB-CB 4.26Å; V333-A343 HydrophobicContact CB-CB 4.15Å; V333-A343 HydrophobicContact CG1-CB 3.99Å; L334-A343 HydrophobicContact CD1-CB 4.41Å; L334-A343 HydrophobicContact CD2-CB 3.83Å; L334-A343 HydrophobicContact CG-CB 3.85Å; N340-A343 HydrophobicContact CB-CB 4.06Å; N340-A343 PolarHBondContact O-N 3.48Å; N340-A343 VanDerWaalsContact O-N 3.12Å; N340-A343 PolarHBondContact OD1-N 3.19Å; A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 2.97Å; A343-R346 PolarHBondContact O-N 3.27Å; A343-M347 WeakPolarHBondContact O-CB 3.12Å; A343-M347 VanDerWaalsContact O-CG 3.26Å; A343-M347 WeakPolarHBondContact O-CG 3.33Å; A343-M347 PolarHBondContact O-N 2.9Å
344L98.6Very high97.6Very high5 Ų551.4 Ų51.43%0.02626%0.261CS..Hα-helixtrans-57-44.1174.8-69.4173.8000111.4L334 N340 E341 R346 M347 G348 Y363 K366 I367L334-L344 HydrophobicContact CD1-CD2 3.9Å; L334-L344 HydrophobicContact CD2-CD2 3.81Å; L334-L344 HydrophobicContact CD2-CG 3.84Å; N340-L344 PolarHBondContact O-N 2.84Å; E341-L344 PolarHBondContact O-N 3.42Å; L344-R346 PolarHBondContact O-N 3.17Å; L344-M347 WeakPolarHBondContact O-CB 3.39Å; L344-M347 PolarHBondContact O-N 3.04Å; L344-G348 PolarHBondContact O-N 3.28Å; L344-Y363 HydrophobicContact CD2-CD1 3.93Å; L344-Y363 WeakPolarHBondContact O-CB 3.41Å; L344-K366 HydrophobicContact CD1-CB 4.13Å; L344-K366 HydrophobicContact CD2-CD 4.16Å; L344-I367 HydrophobicContact CB-CD1 3.86Å; L344-I367 HydrophobicContact CB-CG1 3.72Å; L344-I367 HydrophobicContact CD1-CG1 4.13Å
345F98.6Very high97.5Very high38 Ų3856 Ų5617%0.16729%0.286CS..Hα-helixtrans-64.2-45-178.2-168.8-97.1000111.2E341 A343 G348 Q349 F364 I367 A377 L380E341-F345 VanDerWaalsContact O-CB 3.25Å; E341-F345 WeakPolarHBondContact O-CB 3.44Å; E341-F345 PolarHBondContact O-N 3.04Å; A343-F345 VanDerWaalsContact C-N 3.29Å; A343-F345 PolarHBondContact O-N 2.97Å; F345-G348 PolarHBondContact O-N 3.13Å; F345-Q349 HydrophobicContact CD1-CG 4.18Å; F345-Q349 HydrophobicContact CE1-CG 3.99Å; F345-Q349 WeakPolarHBondContact O-CG 3.28Å; F345-Q349 PolarHBondContact O-N 3.39Å; F345-F364 HydrophobicContact CD2-CD1 4.26Å; F345-F364 AromaticContact CD2-CE1 3.95Å; F345-F364 HydrophobicContact CD2-CE1 3.95Å; F345-F364 HydrophobicContact CE2-CD1 4.44Å; F345-F364 HydrophobicContact CE2-CE1 4.02Å; F345-I367 HydrophobicContact CB-CD1 3.74Å; F345-I367 HydrophobicContact CD2-CD1 3.89Å; F345-I367 HydrophobicContact CG-CD1 4.33Å; F345-A377 HydrophobicContact CD2-CB 4.16Å; F345-A377 HydrophobicContact CE2-CB 4.11Å; F345-L380 HydrophobicContact CE1-CD1 4.46Å; F345-L380 HydrophobicContact CE2-CD1 3.95Å; F345-L380 HydrophobicContact CZ-CD1 3.65Å
346R98.5Very high97.4Very high28 Ų2852.4 Ų52.411%0.10627%0.266CS..Hα-helixtrans-68.6-33.6178-71.2169.1-177166-4112.9L311 K342 A343 L344 Q349 A350L311-R346 VanDerWaalsContact CA-NH1 3.29Å; L311-R346 PolarHBondContact O-NH1 2.94Å; K342-R346 WeakPolarHBondContact O-CB 3.08Å; K342-R346 WeakPolarHBondContact O-CD 3.15Å; K342-R346 VanDerWaalsContact O-CG 3.27Å; K342-R346 WeakPolarHBondContact O-CG 3.35Å; K342-R346 PolarHBondContact O-N 2.97Å; K342-R346 VanDerWaalsContact O-N 3.09Å; A343-R346 PolarHBondContact O-N 3.27Å; L344-R346 PolarHBondContact O-N 3.17Å; R346-Q349 PolarHBondContact O-N 3.24Å; R346-A350 WeakPolarHBondContact O-CB 3.49Å; R346-A350 PolarHBondContact O-N 3.28Å
347M98.3Very high97.6Very high2 Ų249.9 Ų49.91%0.0125%0.248CC..Hα-helixtrans-58.5-49.3169.2-75.3-68.4-62.500110.9I327 C330 L334 A343 L344 Q349 A350 H351 Y363I327-M347 HydrophobicContact CB-CE 4.39Å; I327-M347 HydrophobicContact CB-SD 4.01Å; I327-M347 HydrophobicContact CG1-CE 4.12Å; I327-M347 HydrophobicContact CG1-SD 3.9Å; I327-M347 HydrophobicContact CG2-CE 3.82Å; I327-M347 HydrophobicContact CG2-SD 3.91Å; C330-M347 HydrophobicContact CB-CG 3.64Å; C330-M347 HydrophobicContact CB-SD 3.63Å; L334-M347 HydrophobicContact CD1-CG 3.96Å; A343-M347 WeakPolarHBondContact O-CB 3.12Å; A343-M347 VanDerWaalsContact O-CG 3.26Å; A343-M347 WeakPolarHBondContact O-CG 3.33Å; A343-M347 PolarHBondContact O-N 2.9Å; L344-M347 WeakPolarHBondContact O-CB 3.39Å; L344-M347 PolarHBondContact O-N 3.04Å; M347-Q349 PolarHBondContact O-N 2.99Å; M347-A350 PolarHBondContact O-N 2.77Å; M347-H351 PolarHBondContact O-CD2 2.91Å; M347-H351 VanDerWaalsContact O-CD2 3.31Å; M347-H351 PolarHBondContact O-N 2.85Å; M347-Y363 HydrophobicContact CB-CD1 3.72Å; M347-Y363 HydrophobicContact CB-CD2 4.05Å; M347-Y363 HydrophobicContact CB-CE1 3.9Å; M347-Y363 HydrophobicContact CB-CE2 4.24Å; M347-Y363 HydrophobicContact CB-CG 3.81Å; M347-Y363 HydrophobicContact CE-CE1 3.74Å; M347-Y363 HydrophobicContact CE-CE2 4.03Å; M347-Y363 WeakPolarHBondContact CE-OH 3.44Å; M347-Y363 HydrophobicContact CG-CD1 4.32Å; M347-Y363 HydrophobicContact CG-CE1 4.17Å
348G98.5Very high97.7Very high0 Ų050.2 Ų50.20%025%0.254CS..Hα-helixtrans-57.8-46.4175.800000112.1L344 F345 A350 H351 L352 A360 F364L344-G348 PolarHBondContact O-N 3.28Å; F345-G348 PolarHBondContact O-N 3.13Å; G348-A350 PolarHBondContact O-N 3.49Å; G348-H351 PolarHBondContact O-N 3.37Å; G348-L352 WeakPolarHBondContact O-CG 3.43Å; G348-L352 PolarHBondContact O-N 3.21Å; G348-A360 WeakPolarHBondContact O-CB 3.1Å; G348-F364 VanDerWaalsContact C-CZ 3.46Å
349Q98.6Very high97.9Very high57 Ų5752.5 Ų52.527%0.26625%0.254SS..Hα-helixtrans-62.6-38176.5-67.5-178.7-61.900113.2L318 F345 R346 M347 L352 L353 L380L318-Q349 HydrophobicContact CD1-CB 3.84Å; L318-Q349 HydrophobicContact CD2-CB 3.78Å; L318-Q349 HydrophobicContact CD2-CG 4.36Å; L318-Q349 HydrophobicContact CG-CB 4.47Å; F345-Q349 HydrophobicContact CD1-CG 4.18Å; F345-Q349 HydrophobicContact CE1-CG 3.99Å; F345-Q349 WeakPolarHBondContact O-CG 3.28Å; F345-Q349 PolarHBondContact O-N 3.39Å; R346-Q349 PolarHBondContact O-N 3.24Å; M347-Q349 PolarHBondContact O-N 2.99Å; Q349-L352 WeakPolarHBondContact O-CB 3.44Å; Q349-L352 PolarHBondContact O-N 3.14Å; Q349-L353 PolarHBondContact O-N 3.31Å; Q349-L353 VanDerWaalsContact O-N 3.12Å; Q349-L380 HydrophobicContact CG-CD1 4.27Å
350A98.6Very high98.1Very high0 Ų047.6 Ų47.60%023%0.227CC..Hα-helixtrans-68.2-39.2177.800000112.3L318 P323 C326 I327 R346 M347 G348 L353 R354L318-A350 HydrophobicContact CD1-CB 4.41Å; P323-A350 HydrophobicContact CB-CB 4Å; P323-A350 VanDerWaalsContact CB-O 3.23Å; P323-A350 WeakPolarHBondContact CB-O 3.42Å; C326-A350 HydrophobicContact CB-CB 4.08Å; I327-A350 HydrophobicContact CD1-CB 4.04Å; I327-A350 HydrophobicContact CG1-CB 3.67Å; R346-A350 WeakPolarHBondContact O-CB 3.49Å; R346-A350 PolarHBondContact O-N 3.28Å; M347-A350 PolarHBondContact O-N 2.77Å; G348-A350 PolarHBondContact O-N 3.49Å; A350-L353 WeakPolarHBondContact O-CB 3.36Å; A350-L353 PolarHBondContact O-N 3Å; A350-R354 PolarHBondContact O-N 3.39Å
351H98.6Very high98.1Very high14 Ų1447 Ų477%0.06522%0.224CC..Hα-helixtrans-67-35.6172.9-82.1-73.7000112.3M347 G348 L353 R354 N355 D356 E359 A360 Y363M347-H351 PolarHBondContact O-CD2 2.91Å; M347-H351 VanDerWaalsContact O-CD2 3.31Å; M347-H351 PolarHBondContact O-N 2.85Å; G348-H351 PolarHBondContact O-N 3.37Å; H351-L353 VanDerWaalsContact C-N 3.32Å; H351-L353 PolarHBondContact O-N 3.22Å; H351-R354 CarbonylContact O-C 3.55Å; H351-R354 WeakPolarHBondContact O-CA 3.44Å; H351-R354 WeakPolarHBondContact O-CB 3.43Å; H351-R354 PolarHBondContact O-N 3.42Å; H351-N355 PolarHBondContact O-N 3.44Å; H351-D356 HydrophobicContact CB-CB 4.03Å; H351-D356 IonicContact ND1-OD2 2.74Å; H351-D356 PolarHBondContact ND1-OD2 3.44Å; H351-D356 PolarHBondContact O-N 3.41Å; H351-E359 HydrophobicContact CB-CB 4.25Å; H351-E359 WeakPolarHBondContact ND1-CB 3.46Å; H351-A360 HydrophobicContact CB-CB 3.79Å; H351-Y363 AromaticContact CD2-CD2 3.97Å; H351-Y363 AromaticContact CD2-CE2 3.37Å; H351-Y363 WeakPolarHBondContact CD2-CE2 3.43Å; H351-Y363 AromaticContact NE2-CE2 3.55Å
352L98.3Very high98.1Very high39 Ų3947.1 Ų47.120%0.20423%0.229CC..Hα-helixtrans-60.3-39.6171.2-73.8178.7000112.8G348 Q349 R354 N355 A360 F364 L380G348-L352 WeakPolarHBondContact O-CG 3.43Å; G348-L352 PolarHBondContact O-N 3.21Å; Q349-L352 WeakPolarHBondContact O-CB 3.44Å; Q349-L352 PolarHBondContact O-N 3.14Å; L352-R354 PolarHBondContact O-N 3.35Å; L352-N355 PolarHBondContact O-N 3.02Å; L352-A360 HydrophobicContact CD2-CB 3.83Å; L352-A360 HydrophobicContact CG-CB 3.81Å; L352-F364 HydrophobicContact CD1-CE2 3.8Å; L352-F364 HydrophobicContact CD1-CZ 3.96Å; L352-F364 HydrophobicContact CG-CE2 4.22Å; L352-L380 HydrophobicContact CD1-CD1 4.44Å; L352-L380 HydrophobicContact CD1-CD2 3.94Å
353L97.8Very high98.1Very high79 Ų7942.5 Ų42.541%0.41421%0.208SC..Hα-helixtrans-63.7-22.8174.1-71.9178.9000113.3L318 P323 Q349 A350 H351L318-L353 HydrophobicContact CD1-CD1 3.6Å; L318-L353 HydrophobicContact CD1-CG 4.4Å; P323-L353 HydrophobicContact CB-CB 4.16Å; P323-L353 HydrophobicContact CG-CB 4.31Å; Q349-L353 PolarHBondContact O-N 3.31Å; Q349-L353 VanDerWaalsContact O-N 3.12Å; A350-L353 WeakPolarHBondContact O-CB 3.36Å; A350-L353 PolarHBondContact O-N 3Å; H351-L353 VanDerWaalsContact C-N 3.32Å; H351-L353 PolarHBondContact O-N 3.22Å
354R97.5Very high98.1Very high95 Ų9542.5 Ų42.536%0.35821%0.208SC..THydrogen-bonded Turntrans-87.6-4.5173.6-69.8176.2164.4-171.7-9.4113.4P323 D324 A350 H351 L352 D356P323-R354 HydrophobicContact CB-CG 3.97Å; P323-R354 HydrophobicContact CG-CG 3.76Å; D324-R354 IonicContact OD1-CZ 3.87Å; D324-R354 IonicContact OD1-NE 3.96Å; D324-R354 PolarHBondContact OD1-NE 2.89Å; D324-R354 IonicContact OD1-NH2 3.98Å; D324-R354 PolarHBondContact OD1-NH2 3.33Å; D324-R354 IonicContact OD2-NH2 3.12Å; A350-R354 PolarHBondContact O-N 3.39Å; H351-R354 CarbonylContact O-C 3.55Å; H351-R354 WeakPolarHBondContact O-CA 3.44Å; H351-R354 WeakPolarHBondContact O-CB 3.43Å; H351-R354 PolarHBondContact O-N 3.42Å; L352-R354 PolarHBondContact O-N 3.35Å; R354-D356 HydrophobicContact CB-CB 4.34Å; R354-D356 WeakPolarHBondContact CB-OD2 3.4Å; R354-D356 WeakPolarHBondContact CD-OD2 3.39Å; R354-D356 PolarHBondContact O-N 3.02Å
355N95.8Very high98.1Very high122 Ų12247.2 Ų47.265%0.65223%0.229SC*.THydrogen-bonded Turntrans62.320.6-166.9-52.1-64.8000114.1H351 L352 H357H351-N355 PolarHBondContact O-N 3.44Å; L352-N355 PolarHBondContact O-N 3.02Å; N355-H357 VanDerWaalsContact C-N 3.28Å; N355-H357 PolarHBondContact O-CD2 2.92Å; N355-H357 PolarHBondContact O-N 3.41Å
356D97.3Very high98.1Very high50 Ų5050.6 Ų50.627%0.26724%0.243SC..  trans-82.970176.8-63.1-18.6000109.3H351 R354 D358 E359 A360H351-D356 HydrophobicContact CB-CB 4.03Å; H351-D356 IonicContact ND1-OD2 2.74Å; H351-D356 PolarHBondContact ND1-OD2 3.44Å; H351-D356 PolarHBondContact O-N 3.41Å; R354-D356 HydrophobicContact CB-CB 4.34Å; R354-D356 WeakPolarHBondContact CB-OD2 3.4Å; R354-D356 WeakPolarHBondContact CD-OD2 3.39Å; R354-D356 PolarHBondContact O-N 3.02Å; D356-D358 VanDerWaalsContact C-N 3.35Å; D356-D358 PolarHBondContact O-N 3.12Å; D356-E359 HydrophobicContact CB-CB 4.05Å; D356-E359 HydrophobicContact CB-CG 4.37Å; D356-E359 WeakPolarHBondContact CB-OE2 3.44Å; D356-E359 PolarHBondContact O-N 3.32Å; D356-A360 WeakPolarHBondContact O-CB 3.45Å; D356-A360 PolarHBondContact O-N 3.48Å
357H98Very high98Very high47 Ų4749.4 Ų49.422%0.21824%0.239CC..Hα-helixtrans-64.4-37.4-173.3-61.8-63.5000113N355 A360 L361 I388N355-H357 VanDerWaalsContact C-N 3.28Å; N355-H357 PolarHBondContact O-CD2 2.92Å; N355-H357 PolarHBondContact O-N 3.41Å; H357-A360 PolarHBondContact O-N 2.99Å; H357-L361 WeakPolarHBondContact O-CB 3.15Å; H357-L361 PolarHBondContact O-N 3.49Å; H357-I388 HydrophobicContact CB-CD1 4.17Å; H357-I388 HydrophobicContact CB-CG1 3.73Å
358D97.9Very high98Very high95 Ų9551 Ų5151%0.50825%0.248SC..Hα-helixtrans-63.6-45.7178-73.6-72.6000111D356 L361 V362 I388D356-D358 VanDerWaalsContact C-N 3.35Å; D356-D358 PolarHBondContact O-N 3.12Å; D358-L361 PolarHBondContact O-N 3.29Å; D358-V362 PolarHBondContact O-N 3.18Å; D358-I388 HydrophobicContact CB-CD1 4.49Å; D358-I388 WeakPolarHBondContact OD1-CD1 3.41Å
359E97.8Very high97.9Very high90 Ų9055 Ų5542%0.42128%0.282SS..Hα-helixtrans-66.1-45.1176.4-71.771.7-169.400111.7H351 D356 L361 V362 Y363H351-E359 HydrophobicContact CB-CB 4.25Å; H351-E359 WeakPolarHBondContact ND1-CB 3.46Å; D356-E359 HydrophobicContact CB-CB 4.05Å; D356-E359 HydrophobicContact CB-CG 4.37Å; D356-E359 WeakPolarHBondContact CB-OE2 3.44Å; D356-E359 PolarHBondContact O-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.14Å; E359-V362 WeakPolarHBondContact O-CB 3.47Å; E359-V362 PolarHBondContact O-N 2.87Å; E359-Y363 WeakPolarHBondContact O-CD2 3.22Å; E359-Y363 WeakPolarHBondContact O-CE2 3.34Å
360A98.5Very high97.8Very high0 Ų058.6 Ų58.60%030%0.297CS..Hα-helixtrans-57.6-43.2178.100000111.6G348 H351 L352 D356 H357 V362 Y363 F364G348-A360 WeakPolarHBondContact O-CB 3.1Å; H351-A360 HydrophobicContact CB-CB 3.79Å; L352-A360 HydrophobicContact CD2-CB 3.83Å; L352-A360 HydrophobicContact CG-CB 3.81Å; D356-A360 WeakPolarHBondContact O-CB 3.45Å; D356-A360 PolarHBondContact O-N 3.48Å; H357-A360 PolarHBondContact O-N 2.99Å; A360-V362 VanDerWaalsContact C-N 3.29Å; A360-V362 PolarHBondContact O-N 3.37Å; A360-Y363 PolarHBondContact O-N 3.36Å; A360-Y363 VanDerWaalsContact O-N 3.14Å; A360-F364 HydrophobicContact CB-CE2 4.07Å; A360-F364 WeakPolarHBondContact O-CD2 3.4Å; A360-F364 PolarHBondContact O-N 3.21Å
361L98.3Very high97.6Very high22 Ų2261 Ų6112%0.11531%0.309CS..Hα-helixtrans-57.9-38178.6175155.4000112.3H357 D358 E359 Y363 F364 K365 C384 E385 I388H357-L361 WeakPolarHBondContact O-CB 3.15Å; H357-L361 PolarHBondContact O-N 3.49Å; D358-L361 PolarHBondContact O-N 3.29Å; E359-L361 VanDerWaalsContact C-N 3.27Å; E359-L361 PolarHBondContact O-N 3.14Å; L361-Y363 VanDerWaalsContact C-N 3.29Å; L361-Y363 PolarHBondContact O-N 3.38Å; L361-F364 PolarHBondContact O-N 2.99Å; L361-K365 HydrophobicContact CD2-CD 3.55Å; L361-K365 HydrophobicContact CD2-CG 4.12Å; L361-K365 HydrophobicContact CG-CD 4.33Å; L361-K365 HydrophobicContact CG-CG 4.49Å; L361-K365 WeakPolarHBondContact O-CB 3.21Å; L361-K365 WeakPolarHBondContact O-CG 3.25Å; L361-K365 PolarHBondContact O-N 3.43Å; L361-C384 HydrophobicContact CB-CB 3.86Å; L361-C384 HydrophobicContact CD1-CB 4.26Å; L361-C384 HydrophobicContact CG-CB 4.5Å; L361-E385 HydrophobicContact CD1-CG 3.58Å; L361-I388 HydrophobicContact CB-CD1 4.32Å; L361-I388 HydrophobicContact CD1-CD1 3.55Å
362V98Very high97.5Very high70 Ų7064.3 Ų64.342%0.42433%0.332SS..Hα-helixtrans-57.5-42.8177.2175.70000111.3D358 E359 A360 K366D358-V362 PolarHBondContact O-N 3.18Å; E359-V362 WeakPolarHBondContact O-CB 3.47Å; E359-V362 PolarHBondContact O-N 2.87Å; A360-V362 VanDerWaalsContact C-N 3.29Å; A360-V362 PolarHBondContact O-N 3.37Å; V362-K366 WeakPolarHBondContact O-CG 3.46Å; V362-K366 PolarHBondContact O-N 2.98Å
363Y98.3Very high97.4Very high40 Ų4069.5 Ų69.516%0.15736%0.36CS..Hα-helixtrans-73.1-42-178.7-60.1-77.4000112.2L344 M347 H351 E359 A360 L361 K365 K366 I367L344-Y363 HydrophobicContact CD2-CD1 3.93Å; L344-Y363 WeakPolarHBondContact O-CB 3.41Å; M347-Y363 HydrophobicContact CB-CD1 3.72Å; M347-Y363 HydrophobicContact CB-CD2 4.05Å; M347-Y363 HydrophobicContact CB-CE1 3.9Å; M347-Y363 HydrophobicContact CB-CE2 4.24Å; M347-Y363 HydrophobicContact CB-CG 3.81Å; M347-Y363 HydrophobicContact CE-CE1 3.74Å; M347-Y363 HydrophobicContact CE-CE2 4.03Å; M347-Y363 WeakPolarHBondContact CE-OH 3.44Å; M347-Y363 HydrophobicContact CG-CD1 4.32Å; M347-Y363 HydrophobicContact CG-CE1 4.17Å; H351-Y363 AromaticContact CD2-CD2 3.97Å; H351-Y363 AromaticContact CD2-CE2 3.37Å; H351-Y363 WeakPolarHBondContact CD2-CE2 3.43Å; H351-Y363 AromaticContact NE2-CE2 3.55Å; E359-Y363 WeakPolarHBondContact O-CD2 3.22Å; E359-Y363 WeakPolarHBondContact O-CE2 3.34Å; A360-Y363 PolarHBondContact O-N 3.36Å; A360-Y363 VanDerWaalsContact O-N 3.14Å; L361-Y363 VanDerWaalsContact C-N 3.29Å; L361-Y363 PolarHBondContact O-N 3.38Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.35Å; Y363-K366 WeakPolarHBondContact O-CB 3.49Å; Y363-K366 PolarHBondContact O-N 3.32Å; Y363-I367 WeakPolarHBondContact O-CG1 3.43Å; Y363-I367 PolarHBondContact O-N 3.23Å
364F98.6Very high97.3Very high0 Ų067.1 Ų67.10%035%0.348CS..Hα-helixtrans-65.6-37176.6-60.6-53.2000112.2F345 G348 L352 A360 L361 K366 I367 V368 A377 L380 L381F345-F364 HydrophobicContact CD2-CD1 4.26Å; F345-F364 AromaticContact CD2-CE1 3.95Å; F345-F364 HydrophobicContact CD2-CE1 3.95Å; F345-F364 HydrophobicContact CE2-CD1 4.44Å; F345-F364 HydrophobicContact CE2-CE1 4.02Å; G348-F364 VanDerWaalsContact C-CZ 3.46Å; L352-F364 HydrophobicContact CD1-CE2 3.8Å; L352-F364 HydrophobicContact CD1-CZ 3.96Å; L352-F364 HydrophobicContact CG-CE2 4.22Å; A360-F364 HydrophobicContact CB-CE2 4.07Å; A360-F364 WeakPolarHBondContact O-CD2 3.4Å; A360-F364 PolarHBondContact O-N 3.21Å; L361-F364 PolarHBondContact O-N 2.99Å; F364-K366 VanDerWaalsContact C-N 3.34Å; F364-K366 PolarHBondContact O-N 3.37Å; F364-I367 HydrophobicContact CD1-CD1 4.31Å; F364-I367 PolarHBondContact O-N 3.03Å; F364-I367 VanDerWaalsContact O-N 3.16Å; F364-V368 WeakPolarHBondContact O-CG2 3.41Å; F364-V368 PolarHBondContact O-N 3.25Å; F364-A377 HydrophobicContact CD1-CB 4.36Å; F364-L380 HydrophobicContact CD1-CB 4.21Å; F364-L380 HydrophobicContact CD2-CB 3.97Å; F364-L380 HydrophobicContact CE1-CB 3.93Å; F364-L380 HydrophobicContact CE1-CD1 3.65Å; F364-L380 HydrophobicContact CE1-CG 4.45Å; F364-L380 HydrophobicContact CE2-CB 3.66Å; F364-L380 HydrophobicContact CE2-CD1 4.33Å; F364-L380 HydrophobicContact CG-CB 4.25Å; F364-L380 HydrophobicContact CZ-CB 3.65Å; F364-L380 HydrophobicContact CZ-CD1 3.49Å; F364-L380 VanDerWaalsContact CZ-CD1 3.49Å; F364-L380 HydrophobicContact CZ-CG 4.18Å; F364-L381 HydrophobicContact CB-CB 3.97Å; F364-L381 HydrophobicContact CB-CD1 4.07Å
365K98.1Very high97.3Very high103 Ų10366.2 Ų66.245%0.44836%0.361SS..Hα-helixtrans-57.9-44.4171.8-80.4-172179.1177.90112.1L361 Y363 I367 V368 A369 L381 E385L361-K365 HydrophobicContact CD2-CD 3.55Å; L361-K365 HydrophobicContact CD2-CG 4.12Å; L361-K365 HydrophobicContact CG-CD 4.33Å; L361-K365 HydrophobicContact CG-CG 4.49Å; L361-K365 WeakPolarHBondContact O-CB 3.21Å; L361-K365 WeakPolarHBondContact O-CG 3.25Å; L361-K365 PolarHBondContact O-N 3.43Å; Y363-K365 VanDerWaalsContact C-N 3.34Å; Y363-K365 PolarHBondContact O-N 3.35Å; K365-I367 VanDerWaalsContact C-N 3.27Å; K365-I367 PolarHBondContact O-N 3.49Å; K365-V368 PolarHBondContact O-N 2.88Å; K365-A369 VanDerWaalsContact O-CB 3.25Å; K365-A369 WeakPolarHBondContact O-CB 3.45Å; K365-A369 PolarHBondContact O-N 3.09Å; K365-L381 HydrophobicContact CB-CD1 4.16Å; K365-L381 HydrophobicContact CD-CD1 4.49Å; K365-L381 HydrophobicContact CG-CD1 3.33Å; K365-E385 IonicContact NZ-OE1 3.54Å
366K97.9Very high97.3Very high110 Ų11063.8 Ų63.848%0.47835%0.354SS..Hα-helixtrans-60.2-36.5177-74.4178.7179.9-178.20112.5L344 V362 Y363 F364L344-K366 HydrophobicContact CD1-CB 4.13Å; L344-K366 HydrophobicContact CD2-CD 4.16Å; V362-K366 WeakPolarHBondContact O-CG 3.46Å; V362-K366 PolarHBondContact O-N 2.98Å; Y363-K366 WeakPolarHBondContact O-CB 3.49Å; Y363-K366 PolarHBondContact O-N 3.32Å; F364-K366 VanDerWaalsContact C-N 3.34Å; F364-K366 PolarHBondContact O-N 3.37Å
367I98Very high97.4Very high3 Ų361.4 Ų61.42%0.01534%0.341CS..Hα-helixtrans-70.1-54.6176.9-62.8167.4000110.3E341 L344 F345 Y363 F364 K365 A369 K370 N371 N374 A377E341-I367 HydrophobicContact CG-CG1 4.35Å; E341-I367 HydrophobicContact CG-CG2 3.87Å; L344-I367 HydrophobicContact CB-CD1 3.86Å; L344-I367 HydrophobicContact CB-CG1 3.72Å; L344-I367 HydrophobicContact CD1-CG1 4.13Å; F345-I367 HydrophobicContact CB-CD1 3.74Å; F345-I367 HydrophobicContact CD2-CD1 3.89Å; F345-I367 HydrophobicContact CG-CD1 4.33Å; Y363-I367 WeakPolarHBondContact O-CG1 3.43Å; Y363-I367 PolarHBondContact O-N 3.23Å; F364-I367 HydrophobicContact CD1-CD1 4.31Å; F364-I367 PolarHBondContact O-N 3.03Å; F364-I367 VanDerWaalsContact O-N 3.16Å; K365-I367 VanDerWaalsContact C-N 3.27Å; K365-I367 PolarHBondContact O-N 3.49Å; I367-A369 VanDerWaalsContact C-N 3.26Å; I367-A369 PolarHBondContact O-N 2.88Å; I367-K370 PolarHBondContact O-N 3.48Å; I367-N371 PolarHBondContact O-N 2.96Å; I367-N374 HydrophobicContact CG2-CB 4.04Å; I367-A377 HydrophobicContact CB-CB 4.09Å; I367-A377 HydrophobicContact CD1-CB 4.31Å; I367-A377 HydrophobicContact CG2-CB 3.63Å
368V97.4Very high97.4Very high34 Ų3462.1 Ų62.121%0.20635%0.348CS..Hα-helixtrans-61.9-35.2-176.2175.60000111.6F364 K365 K370 N371 P372 A377 V378F364-V368 WeakPolarHBondContact O-CG2 3.41Å; F364-V368 PolarHBondContact O-N 3.25Å; K365-V368 PolarHBondContact O-N 2.88Å; V368-K370 PolarHBondContact O-N 3.28Å; V368-N371 CarbonylContact O-C 3.53Å; V368-P372 WeakPolarHBondContact O-CA 3.27Å; V368-P372 WeakPolarHBondContact O-CD 3.46Å; V368-P372 WeakPolarHBondContact O-CG 3.39Å; V368-A377 HydrophobicContact CG2-CB 4.13Å; V368-V378 HydrophobicContact CG1-CG2 4.18Å; V368-V378 HydrophobicContact CG2-CG2 3.73Å
369A97Very high97.4Very high85 Ų8564.5 Ų64.570%0.70235%0.354SS*.THydrogen-bonded Turntrans-61-26.2174.900000113.5K365 I367K365-A369 VanDerWaalsContact O-CB 3.25Å; K365-A369 WeakPolarHBondContact O-CB 3.45Å; K365-A369 PolarHBondContact O-N 3.09Å; I367-A369 VanDerWaalsContact C-N 3.26Å; I367-A369 PolarHBondContact O-N 2.88Å
370K95.6Very high97.4Very high132 Ų13261.7 Ų61.757%0.57434%0.342SS*.THydrogen-bonded Turntrans-103.5-35.6-179.6-67-165.2172.4-159.50113.6N339 I367 V368N339-K370 HydrophobicContact CB-CD 4.44Å; N339-K370 PolarHBondContact ND2-NZ 3.12Å; N339-K370 PolarHBondContact OD1-NZ 3.02Å; I367-K370 PolarHBondContact O-N 3.48Å; V368-K370 PolarHBondContact O-N 3.28Å
371N95.8Very high97.4Very high50 Ų5062.9 Ų62.927%0.26735%0.348SS..  trans-133.581179.7-175.48.3000109.4E341 I367 V368 N373 N374E341-N371 PolarHBondContact OE1-ND2 3.45Å; E341-N371 PolarHBondContact OE2-ND2 2.96Å; I367-N371 PolarHBondContact O-N 2.96Å; V368-N371 CarbonylContact O-C 3.53Å; N371-N373 PolarHBondContact O-N 2.94Å; N371-N373 VanDerWaalsContact O-N 3.1Å; N371-N373 PolarHBondContact OD1-N 3.02Å; N371-N374 PolarHBondContact O-N 3.28Å; N371-N374 VanDerWaalsContact O-N 3.11Å
372P95.7Very high97.3Very high84 Ų8466.7 Ų66.755%0.54537%0.365SS..THydrogen-bonded Turntrans-59.5-20.6178.2-23.833.3000113.8V368 N374V368-P372 WeakPolarHBondContact O-CA 3.27Å; V368-P372 WeakPolarHBondContact O-CD 3.46Å; V368-P372 WeakPolarHBondContact O-CG 3.39Å; P372-N374 VanDerWaalsContact C-N 3.3Å; P372-N374 PolarHBondContact O-N 3.5Å
373N95.5Very high97.3Very high148 Ų14867.5 Ų67.579%0.79137%0.365SS*.THydrogen-bonded Turntrans-82.6-2.8-179.8-66.3-24.5000113.5N371 A375N371-N373 PolarHBondContact O-N 2.94Å; N371-N373 VanDerWaalsContact O-N 3.1Å; N371-N373 PolarHBondContact OD1-N 3.02Å; N373-A375 VanDerWaalsContact C-N 3.28Å; N373-A375 PolarHBondContact O-N 2.95Å
374N96.1Very high97.3Very high29 Ų2965.6 Ų65.616%0.15536%0.358CS..  trans-71.885.3173.2-172.2-30.1000110.3E341 I367 N371 P372 S376 A377 V378E341-N374 PolarHBondContact OE1-ND2 3.28Å; I367-N374 HydrophobicContact CG2-CB 4.04Å; N371-N374 PolarHBondContact O-N 3.28Å; N371-N374 VanDerWaalsContact O-N 3.11Å; P372-N374 VanDerWaalsContact C-N 3.3Å; P372-N374 PolarHBondContact O-N 3.5Å; N374-S376 PolarHBondContact O-N 3.27Å; N374-S376 VanDerWaalsContact O-N 3.16Å; N374-S376 PolarHBondContact OD1-N 2.74Å; N374-A377 HydrophobicContact CB-CB 4.03Å; N374-A377 PolarHBondContact O-N 2.94Å; N374-A377 PolarHBondContact OD1-N 2.94Å; N374-V378 WeakPolarHBondContact O-CG2 3.35Å; N374-V378 PolarHBondContact O-N 3.3Å
375A96.9Very high97.3Very high77 Ų7769.1 Ų69.164%0.63637%0.374SS*.Hα-helixtrans-56.2-33.5-177.700000113.3N373 K379N373-A375 VanDerWaalsContact C-N 3.28Å; N373-A375 PolarHBondContact O-N 2.95Å; A375-K379 WeakPolarHBondContact O-CB 3.37Å; A375-K379 PolarHBondContact O-N 3.18Å
376S97.4Very high97.3Very high71 Ų7168.2 Ų68.250%0.49737%0.371SS..Hα-helixtrans-68.2-42.9177.8-62.90000111.5N374 K379 L380N374-S376 PolarHBondContact O-N 3.27Å; N374-S376 VanDerWaalsContact O-N 3.16Å; N374-S376 PolarHBondContact OD1-N 2.74Å; S376-K379 PolarHBondContact O-N 3.01Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 3.07Å; S376-L380 VanDerWaalsContact O-N 3.1Å
377A97.8Very high97.2Very high0 Ų066.3 Ų66.30%036%0.364CS..Hα-helixtrans-68.8-41.1177.700000111.6F345 F364 I367 V368 N374 K379 L380 L381F345-A377 HydrophobicContact CD2-CB 4.16Å; F345-A377 HydrophobicContact CE2-CB 4.11Å; F364-A377 HydrophobicContact CD1-CB 4.36Å; I367-A377 HydrophobicContact CB-CB 4.09Å; I367-A377 HydrophobicContact CD1-CB 4.31Å; I367-A377 HydrophobicContact CG2-CB 3.63Å; V368-A377 HydrophobicContact CG2-CB 4.13Å; N374-A377 HydrophobicContact CB-CB 4.03Å; N374-A377 PolarHBondContact O-N 2.94Å; N374-A377 PolarHBondContact OD1-N 2.94Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 3.49Å; A377-L380 PolarHBondContact O-N 3.14Å; A377-L381 VanDerWaalsContact O-CB 3.23Å; A377-L381 WeakPolarHBondContact O-CB 3.34Å; A377-L381 PolarHBondContact O-N 2.7Å
378V98.2Very high97.2Very high61 Ų6166.8 Ų66.837%0.3737%0.367SS..Hα-helixtrans-59.4-44.8175173.90000111V368 N374 L381 H382V368-V378 HydrophobicContact CG1-CG2 4.18Å; V368-V378 HydrophobicContact CG2-CG2 3.73Å; N374-V378 WeakPolarHBondContact O-CG2 3.35Å; N374-V378 PolarHBondContact O-N 3.3Å; V378-L381 WeakPolarHBondContact O-CB 3.4Å; V378-L381 PolarHBondContact O-N 3.03Å; V378-H382 PolarHBondContact O-N 3.18Å; V378-H382 VanDerWaalsContact O-N 3.09Å
379K98.2Very high97.2Very high146 Ų14669.4 Ų69.464%0.63538%0.377SS*.Hα-helixtrans-61.2-49.5177.3-176-178.8179-179.40112.1A375 S376 A377 L381 H382 M383A375-K379 WeakPolarHBondContact O-CB 3.37Å; A375-K379 PolarHBondContact O-N 3.18Å; S376-K379 PolarHBondContact O-N 3.01Å; A377-K379 VanDerWaalsContact C-N 3.34Å; A377-K379 PolarHBondContact O-N 3.49Å; K379-L381 VanDerWaalsContact C-N 3.33Å; K379-L381 PolarHBondContact O-N 3.36Å; K379-H382 PolarHBondContact O-N 2.96Å; K379-M383 HydrophobicContact CG-SD 4.36Å; K379-M383 WeakPolarHBondContact O-CG 3.17Å; K379-M383 PolarHBondContact O-N 2.99Å
380L98.2Very high97.2Very high31 Ų3169.9 Ų69.916%0.16236%0.363CS..Hα-helixtrans-67.7-33.8-179.4-68.4176.7000112.4F345 Q349 L352 F364 S376 A377 M383 C384F345-L380 HydrophobicContact CE1-CD1 4.46Å; F345-L380 HydrophobicContact CE2-CD1 3.95Å; F345-L380 HydrophobicContact CZ-CD1 3.65Å; Q349-L380 HydrophobicContact CG-CD1 4.27Å; L352-L380 HydrophobicContact CD1-CD1 4.44Å; L352-L380 HydrophobicContact CD1-CD2 3.94Å; F364-L380 HydrophobicContact CD1-CB 4.21Å; F364-L380 HydrophobicContact CD2-CB 3.97Å; F364-L380 HydrophobicContact CE1-CB 3.93Å; F364-L380 HydrophobicContact CE1-CD1 3.65Å; F364-L380 HydrophobicContact CE1-CG 4.45Å; F364-L380 HydrophobicContact CE2-CB 3.66Å; F364-L380 HydrophobicContact CE2-CD1 4.33Å; F364-L380 HydrophobicContact CG-CB 4.25Å; F364-L380 HydrophobicContact CZ-CB 3.65Å; F364-L380 HydrophobicContact CZ-CD1 3.49Å; F364-L380 VanDerWaalsContact CZ-CD1 3.49Å; F364-L380 HydrophobicContact CZ-CG 4.18Å; S376-L380 WeakPolarHBondContact O-CG 3.46Å; S376-L380 PolarHBondContact O-N 3.07Å; S376-L380 VanDerWaalsContact O-N 3.1Å; A377-L380 PolarHBondContact O-N 3.14Å; L380-M383 HydrophobicContact CD2-SD 4.04Å; L380-M383 PolarHBondContact O-N 3.5Å; L380-C384 PolarHBondContact O-N 3.3Å; L380-C384 PolarHBondContact O-SG 3.4Å
381L97.9Very high97.2Very high25 Ų2566.2 Ų66.213%0.13136%0.357CS..Hα-helixtrans-57.4-52.6171.8178.7114.2000111.1F364 K365 A377 V378 K379 M383 C384 E385F364-L381 HydrophobicContact CB-CB 3.97Å; F364-L381 HydrophobicContact CB-CD1 4.07Å; K365-L381 HydrophobicContact CB-CD1 4.16Å; K365-L381 HydrophobicContact CD-CD1 4.49Å; K365-L381 HydrophobicContact CG-CD1 3.33Å; A377-L381 VanDerWaalsContact O-CB 3.23Å; A377-L381 WeakPolarHBondContact O-CB 3.34Å; A377-L381 PolarHBondContact O-N 2.7Å; V378-L381 WeakPolarHBondContact O-CB 3.4Å; V378-L381 PolarHBondContact O-N 3.03Å; K379-L381 VanDerWaalsContact C-N 3.33Å; K379-L381 PolarHBondContact O-N 3.36Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 3.35Å; L381-C384 WeakPolarHBondContact O-CB 3.41Å; L381-C384 PolarHBondContact O-N 3.07Å; L381-C384 VanDerWaalsContact O-N 3.12Å; L381-E385 PolarHBondContact O-N 2.9Å
382H97.6Very high97.2Very high102 Ų10269 Ų6947%0.47237%0.367SS..Hα-helixtrans-61.5-42.3-179.9-172.551.9000111.8V378 K379 C384 E385 E386V378-H382 PolarHBondContact O-N 3.18Å; V378-H382 VanDerWaalsContact O-N 3.09Å; K379-H382 PolarHBondContact O-N 2.96Å; H382-C384 VanDerWaalsContact C-N 3.31Å; H382-C384 PolarHBondContact O-N 2.9Å; H382-E385 PolarHBondContact O-N 3.48Å; H382-E385 VanDerWaalsContact O-N 3.16Å; H382-E386 IonicContact CD2-OE1 3.76Å; H382-E386 IonicContact CE1-OE1 3.82Å; H382-E386 IonicContact NE2-OE1 3.19Å; H382-E386 PolarHBondContact NE2-OE1 3.24Å; H382-E386 WeakPolarHBondContact O-CG 3.45Å; H382-E386 PolarHBondContact O-N 3.31Å
383M97.7Very high97.2Very high86 Ų8668 Ų6842%0.42436%0.357SS..Hα-helixtrans-57.6-42.4173.8-72.1176.259.100112.4K379 L380 L381 E386 E387K379-M383 HydrophobicContact CG-SD 4.36Å; K379-M383 WeakPolarHBondContact O-CG 3.17Å; K379-M383 PolarHBondContact O-N 2.99Å; L380-M383 HydrophobicContact CD2-SD 4.04Å; L380-M383 PolarHBondContact O-N 3.5Å; L381-M383 VanDerWaalsContact C-N 3.32Å; L381-M383 PolarHBondContact O-N 3.35Å; M383-E386 PolarHBondContact O-N 2.95Å; M383-E387 WeakPolarHBondContact O-CG 3.31Å; M383-E387 PolarHBondContact O-N 3.03Å; M383-E387 VanDerWaalsContact O-N 3.08Å
384C98.1Very high97.2Very high0 Ų065.9 Ų65.90%034%0.343CS..Hα-helixtrans-62.7-44.9175.8-620000111.3L361 L380 L381 H382 E386 E387 I388L361-C384 HydrophobicContact CB-CB 3.86Å; L361-C384 HydrophobicContact CD1-CB 4.26Å; L361-C384 HydrophobicContact CG-CB 4.5Å; L380-C384 PolarHBondContact O-N 3.3Å; L380-C384 PolarHBondContact O-SG 3.4Å; L381-C384 WeakPolarHBondContact O-CB 3.41Å; L381-C384 PolarHBondContact O-N 3.07Å; L381-C384 VanDerWaalsContact O-N 3.12Å; H382-C384 VanDerWaalsContact C-N 3.31Å; H382-C384 PolarHBondContact O-N 2.9Å; C384-E386 VanDerWaalsContact C-N 3.34Å; C384-E386 PolarHBondContact O-N 3.4Å; C384-E387 PolarHBondContact O-N 3.42Å; C384-I388 HydrophobicContact CB-CD1 4.5Å; C384-I388 WeakPolarHBondContact O-CB 3.43Å; C384-I388 VanDerWaalsContact O-CD1 3.31Å; C384-I388 WeakPolarHBondContact O-CD1 3.43Å; C384-I388 WeakPolarHBondContact O-CG1 3.41Å; C384-I388 PolarHBondContact O-N 3.42Å
385E98.2Very high97.1Very high74 Ų7466.4 Ų66.435%0.34635%0.352SS..Hα-helixtrans-60.7-42.4179.4-71.5176.6160.500112L361 K365 L381 H382 Q389L361-E385 HydrophobicContact CD1-CG 3.58Å; K365-E385 IonicContact NZ-OE1 3.54Å; L381-E385 PolarHBondContact O-N 2.9Å; H382-E385 PolarHBondContact O-N 3.48Å; H382-E385 VanDerWaalsContact O-N 3.16Å; E385-Q389 VanDerWaalsContact O-CB 3.31Å; E385-Q389 WeakPolarHBondContact O-CB 3.45Å; E385-Q389 PolarHBondContact O-N 2.91Å
386E97.7Very high97Very high84 Ų8468.9 Ų68.939%0.39335%0.348SS..Hα-helixtrans-62.5-47.2175.2-71.9-173.6160.600112.4H382 M383 C384 Q389 K390H382-E386 IonicContact CD2-OE1 3.76Å; H382-E386 IonicContact CE1-OE1 3.82Å; H382-E386 IonicContact NE2-OE1 3.19Å; H382-E386 PolarHBondContact NE2-OE1 3.24Å; H382-E386 WeakPolarHBondContact O-CG 3.45Å; H382-E386 PolarHBondContact O-N 3.31Å; M383-E386 PolarHBondContact O-N 2.95Å; C384-E386 VanDerWaalsContact C-N 3.34Å; C384-E386 PolarHBondContact O-N 3.4Å; E386-Q389 PolarHBondContact O-N 2.98Å; E386-K390 WeakPolarHBondContact O-CB 3.25Å; E386-K390 VanDerWaalsContact O-CG 3.27Å; E386-K390 WeakPolarHBondContact O-CG 3.42Å; E386-K390 PolarHBondContact O-N 2.94Å
387E97.1Very high96.9Very high70 Ų7072.5 Ų72.533%0.32736%0.355SS..Hα-helixtrans-66.4-40.8-179.5-70.7-52.8132.700112.2M383 C384 Q389 K390 A391M383-E387 WeakPolarHBondContact O-CG 3.31Å; M383-E387 PolarHBondContact O-N 3.03Å; M383-E387 VanDerWaalsContact O-N 3.08Å; C384-E387 PolarHBondContact O-N 3.42Å; E387-Q389 VanDerWaalsContact C-N 3.31Å; E387-Q389 PolarHBondContact O-N 3.28Å; E387-K390 PolarHBondContact O-N 3.1Å; E387-K390 IonicContact OE1-NZ 3.36Å; E387-K390 PolarHBondContact OE1-NZ 3.45Å; E387-A391 WeakPolarHBondContact O-CB 3.48Å; E387-A391 PolarHBondContact O-N 3.37Å
388I97.4Very high96.6Very high13 Ų1380.9 Ų80.97%0.06739%0.387CS..Hα-helixtrans-61-42.8173.6-68161.6000110.5H357 D358 L361 C384 A391 K392H357-I388 HydrophobicContact CB-CD1 4.17Å; H357-I388 HydrophobicContact CB-CG1 3.73Å; D358-I388 HydrophobicContact CB-CD1 4.49Å; D358-I388 WeakPolarHBondContact OD1-CD1 3.41Å; L361-I388 HydrophobicContact CB-CD1 4.32Å; L361-I388 HydrophobicContact CD1-CD1 3.55Å; C384-I388 HydrophobicContact CB-CD1 4.5Å; C384-I388 WeakPolarHBondContact O-CB 3.43Å; C384-I388 VanDerWaalsContact O-CD1 3.31Å; C384-I388 WeakPolarHBondContact O-CD1 3.43Å; C384-I388 WeakPolarHBondContact O-CG1 3.41Å; C384-I388 PolarHBondContact O-N 3.42Å; I388-A391 PolarHBondContact O-N 3.12Å; I388-K392 HydrophobicContact CG2-CD 4.16Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.91Å
389Q97.5Very high96.3Very high89 Ų8985.4 Ų85.442%0.41640%0.401SS..Hα-helixtrans-66.6-44.4179.1-17554.145.900111.6E385 E386 E387 A391 K392 D393E385-Q389 VanDerWaalsContact O-CB 3.31Å; E385-Q389 WeakPolarHBondContact O-CB 3.45Å; E385-Q389 PolarHBondContact O-N 2.91Å; E386-Q389 PolarHBondContact O-N 2.98Å; E387-Q389 VanDerWaalsContact C-N 3.31Å; E387-Q389 PolarHBondContact O-N 3.28Å; Q389-A391 VanDerWaalsContact C-N 3.33Å; Q389-A391 PolarHBondContact O-N 2.99Å; Q389-K392 PolarHBondContact O-N 3.37Å; Q389-D393 PolarHBondContact NE2-OD1 2.94Å; Q389-D393 PolarHBondContact NE2-OD2 3.43Å; Q389-D393 PolarHBondContact O-N 3.35Å
390K96.7Very high96.1Very high96 Ų9686.3 Ų86.342%0.41740%0.401SS..Hα-helixtrans-58-44.4174-72.3171.3-164.4166.20111.6E386 E387 D393 M394E386-K390 WeakPolarHBondContact O-CB 3.25Å; E386-K390 VanDerWaalsContact O-CG 3.27Å; E386-K390 WeakPolarHBondContact O-CG 3.42Å; E386-K390 PolarHBondContact O-N 2.94Å; E387-K390 PolarHBondContact O-N 3.1Å; E387-K390 IonicContact OE1-NZ 3.36Å; E387-K390 PolarHBondContact OE1-NZ 3.45Å; K390-D393 PolarHBondContact O-N 3.43Å; K390-M394 HydrophobicContact CB-CE 4.41Å; K390-M394 WeakPolarHBondContact O-CB 3.38Å; K390-M394 WeakPolarHBondContact O-CG 3.27Å; K390-M394 PolarHBondContact O-N 3.41Å
391A95.1Very high95.7Very high54 Ų5487.1 Ų87.145%0.44641%0.409SS..Hα-helixtrans-61-44.5177.300000111.9E387 I388 Q389 D393 M394 A395E387-A391 WeakPolarHBondContact O-CB 3.48Å; E387-A391 PolarHBondContact O-N 3.37Å; I388-A391 PolarHBondContact O-N 3.12Å; Q389-A391 VanDerWaalsContact C-N 3.33Å; Q389-A391 PolarHBondContact O-N 2.99Å; A391-D393 PolarHBondContact O-N 3.24Å; A391-M394 PolarHBondContact O-N 3.35Å; A391-A395 WeakPolarHBondContact O-CB 3.49Å; A391-A395 PolarHBondContact O-N 3.48Å
392K96Very high95.4Very high110 Ų11090.4 Ų90.448%0.47843%0.426SS..Hα-helixtrans-61.3-42.6175.4-73.7171.8-177.4171.50112.3I388 Q389 A395 K396I388-K392 HydrophobicContact CG2-CD 4.16Å; I388-K392 WeakPolarHBondContact O-CG 3.47Å; I388-K392 PolarHBondContact O-N 2.91Å; Q389-K392 PolarHBondContact O-N 3.37Å; K392-A395 PolarHBondContact O-N 2.96Å; K392-K396 WeakPolarHBondContact O-CG 3.31Å; K392-K396 PolarHBondContact O-N 3.16Å
393D96.6Very high95Very high62 Ų6293.1 Ų93.133%0.33244%0.437SS..Hα-helixtrans-71.2-36.5-179.8-68.8-27000112.3Q389 K390 A391 K396 K397Q389-D393 PolarHBondContact NE2-OD1 2.94Å; Q389-D393 PolarHBondContact NE2-OD2 3.43Å; Q389-D393 PolarHBondContact O-N 3.35Å; K390-D393 PolarHBondContact O-N 3.43Å; A391-D393 PolarHBondContact O-N 3.24Å; D393-K396 PolarHBondContact O-N 3.21Å; D393-K396 IonicContact OD1-NZ 2.7Å; D393-K397 WeakPolarHBondContact O-CG 3.47Å; D393-K397 PolarHBondContact O-N 2.78Å
394M95Very high94.6Very high103 Ų10394.1 Ų94.151%0.50744%0.44SS..Hα-helixtrans-64.3-43.5171-75.3-170.5-75.500111.9K390 A391 K397 R398K390-M394 HydrophobicContact CB-CE 4.41Å; K390-M394 WeakPolarHBondContact O-CB 3.38Å; K390-M394 WeakPolarHBondContact O-CG 3.27Å; K390-M394 PolarHBondContact O-N 3.41Å; A391-M394 PolarHBondContact O-N 3.35Å; M394-K397 PolarHBondContact O-N 2.96Å; M394-R398 WeakPolarHBondContact O-CG 3.38Å; M394-R398 PolarHBondContact O-N 2.71Å
395A94Very high93.9Very high40 Ų40103.1 Ų103.133%0.33147%0.474SS..Hα-helixtrans-58.9-48.9175.700000111A391 K392 K397 R398 F399A391-A395 WeakPolarHBondContact O-CB 3.49Å; A391-A395 PolarHBondContact O-N 3.48Å; K392-A395 PolarHBondContact O-N 2.96Å; A395-K397 VanDerWaalsContact C-N 3.34Å; A395-K397 PolarHBondContact O-N 3.29Å; A395-R398 PolarHBondContact O-N 2.97Å; A395-F399 HydrophobicContact CB-CD2 4.49Å; A395-F399 HydrophobicContact CB-CE2 4.49Å; A395-F399 WeakPolarHBondContact O-CD2 3.47Å; A395-F399 PolarHBondContact O-N 3.05Å
396K95.4Very high93.2Very high129 Ų129102.8 Ų102.856%0.56148%0.48SS*.Hα-helixtrans-55.7-44.6176-74173.4-174.9171.40112.8K392 D393 R400K392-K396 WeakPolarHBondContact O-CG 3.31Å; K392-K396 PolarHBondContact O-N 3.16Å; D393-K396 PolarHBondContact O-N 3.21Å; D393-K396 IonicContact OD1-NZ 2.7Å; K396-R400 PolarHBondContact O-N 2.93Å
397K94.9Very high92.5Very high147 Ų147106 Ų10664%0.63949%0.492SS*.Hα-helixtrans-63.5-43.9177.2-73.8176.3-177.9178.40112D393 M394 A395 R400 S401D393-K397 WeakPolarHBondContact O-CG 3.47Å; D393-K397 PolarHBondContact O-N 2.78Å; M394-K397 PolarHBondContact O-N 2.96Å; A395-K397 VanDerWaalsContact C-N 3.34Å; A395-K397 PolarHBondContact O-N 3.29Å; K397-R400 PolarHBondContact O-N 2.88Å; K397-S401 PolarHBondContact O-N 3.37Å
398R91.4Very high91.6Very high177 Ų177109.3 Ų109.367%0.66851%0.512SS*.Hα-helixtrans-61.7-49.7176.5-71.9179.5-177.2-156.52.5111.2M394 A395 R400 S401 I402M394-R398 WeakPolarHBondContact O-CG 3.38Å; M394-R398 PolarHBondContact O-N 2.71Å; A395-R398 PolarHBondContact O-N 2.97Å; R398-R400 VanDerWaalsContact C-N 3.3Å; R398-R400 PolarHBondContact O-N 3.47Å; R398-S401 PolarHBondContact O-N 2.74Å; R398-S401 VanDerWaalsContact O-N 3.14Å; R398-S401 PolarHBondContact O-OG 3.33Å; R398-I402 WeakPolarHBondContact O-CG1 3.38Å; R398-I402 PolarHBondContact O-N 3.02Å
399F92.4Very high90.2Very high155 Ų155112.2 Ų112.268%0.6853%0.534SS*.Hα-helixtrans-55-44175.7-82.5-66.8000112.5A395 S401 I402 F403A395-F399 HydrophobicContact CB-CD2 4.49Å; A395-F399 HydrophobicContact CB-CE2 4.49Å; A395-F399 WeakPolarHBondContact O-CD2 3.47Å; A395-F399 PolarHBondContact O-N 3.05Å; F399-S401 PolarHBondContact O-N 3.08Å; F399-I402 PolarHBondContact O-N 3.16Å; F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 3.43Å
400R92.4Very high88.5Confident165 Ų165111 Ų11162%0.62355%0.545SS*.Hα-helixtrans-59-47.4175.9-172.8-179.6-63.4160.3-1112.2K396 K397 R398 I402 F403 E404K396-R400 PolarHBondContact O-N 2.93Å; K397-R400 PolarHBondContact O-N 2.88Å; R398-R400 VanDerWaalsContact C-N 3.3Å; R398-R400 PolarHBondContact O-N 3.47Å; R400-I402 VanDerWaalsContact C-N 3.34Å; R400-I402 PolarHBondContact O-N 3.47Å; R400-F403 PolarHBondContact O-N 3.05Å; R400-E404 WeakPolarHBondContact CG-OE1 3.23Å; R400-E404 WeakPolarHBondContact O-CG 3.42Å; R400-E404 PolarHBondContact O-N 3.43Å
401S91.5Very high86.3Confident48 Ų48113.3 Ų113.334%0.33656%0.561SS.*Hα-helixtrans-65.1-33.7179.668.20000114K397 R398 F399 R405K397-S401 PolarHBondContact O-N 3.37Å; R398-S401 PolarHBondContact O-N 2.74Å; R398-S401 VanDerWaalsContact O-N 3.14Å; R398-S401 PolarHBondContact O-OG 3.33Å; F399-S401 PolarHBondContact O-N 3.08Å; S401-R405 WeakPolarHBondContact O-CG 3.37Å; S401-R405 PolarHBondContact O-N 3.35Å; S401-R405 VanDerWaalsContact O-N 3.14Å
402I90.3Very high84.3Confident95 Ų95117.7 Ų117.749%0.48758%0.577SS.*Hα-helixtrans-70.1-45175.9-65.5170.9000109.8R398 F399 R400 E404 R405 C406R398-I402 WeakPolarHBondContact O-CG1 3.38Å; R398-I402 PolarHBondContact O-N 3.02Å; F399-I402 PolarHBondContact O-N 3.16Å; R400-I402 VanDerWaalsContact C-N 3.34Å; R400-I402 PolarHBondContact O-N 3.47Å; I402-E404 VanDerWaalsContact C-N 3.29Å; I402-E404 PolarHBondContact O-N 2.94Å; I402-R405 PolarHBondContact O-N 3.09Å; I402-C406 PolarHBondContact O-N 3.49Å; I402-C406 PolarHBondContact O-SG 3.43Å
403F90.1Very high81.9Confident159 Ų159115.8 Ų115.870%0.69759%0.588SS**Hα-helixtrans-57.9-42.4176.5-171.8-96.1000111.8F399 R400 K407F399-F403 WeakPolarHBondContact O-CB 3.43Å; F399-F403 PolarHBondContact O-N 3.43Å; R400-F403 PolarHBondContact O-N 3.05Å; F403-K407 PolarHBondContact O-N 2.85Å
404E89.9Confident79.3Confident107 Ų107119.3 Ų119.350%0.561%0.612SS.*Hα-helixtrans-62.5-45.1175.3-72.6167-175.200112.2R400 I402 K407 D408R400-E404 WeakPolarHBondContact CG-OE1 3.23Å; R400-E404 WeakPolarHBondContact O-CG 3.42Å; R400-E404 PolarHBondContact O-N 3.43Å; I402-E404 VanDerWaalsContact C-N 3.29Å; I402-E404 PolarHBondContact O-N 2.94Å; E404-K407 WeakPolarHBondContact O-CB 3.43Å; E404-K407 PolarHBondContact O-N 3.38Å; E404-D408 PolarHBondContact O-N 3.47Å
405R83.4Confident76.6Confident188 Ų188122.5 Ų122.571%0.70963%0.626SS**Hα-helixtrans-68-36.9177.8-72.9177.4-177-1790.5114.2S401 I402 K407 D408 S409S401-R405 WeakPolarHBondContact O-CG 3.37Å; S401-R405 PolarHBondContact O-N 3.35Å; S401-R405 VanDerWaalsContact O-N 3.14Å; I402-R405 PolarHBondContact O-N 3.09Å; R405-K407 VanDerWaalsContact C-N 3.28Å; R405-K407 PolarHBondContact O-N 3.1Å; R405-D408 PolarHBondContact O-N 3.49Å; R405-S409 PolarHBondContact O-N 2.98Å; R405-S409 VanDerWaalsContact O-N 3.13Å; R405-S409 PolarHBondContact O-OG 3.16Å
406C82.6Confident74.1Confident68 Ų68128.6 Ų128.646%0.45965%0.647SS.*Hα-helixtrans-62.7-40176.5-75.60000110.8I402 D408 S409I402-C406 PolarHBondContact O-N 3.49Å; I402-C406 PolarHBondContact O-SG 3.43Å; C406-D408 VanDerWaalsContact C-N 3.29Å; C406-D408 PolarHBondContact O-N 3.01Å; C406-S409 PolarHBondContact O-N 3.06Å; C406-S409 PolarHBondContact O-OG 2.95Å; C406-S409 VanDerWaalsContact O-OG 3.04Å
407K82.7Confident71.3Confident150 Ų150129.9 Ų129.965%0.65266%0.655SS**Hα-helixtrans-60.6-37.6174.3-166.7177.1179.9179.40112.7F403 E404 R405F403-K407 PolarHBondContact O-N 2.85Å; E404-K407 WeakPolarHBondContact O-CB 3.43Å; E404-K407 PolarHBondContact O-N 3.38Å; R405-K407 VanDerWaalsContact C-N 3.28Å; R405-K407 PolarHBondContact O-N 3.1Å
408D77.6Confident68.6Low140 Ų140131.5 Ų131.575%0.74966%0.662SS**Hα-helixtrans-78.3-19.6-179.7-65.8-20000114E404 R405 C406E404-D408 PolarHBondContact O-N 3.47Å; R405-D408 PolarHBondContact O-N 3.49Å; C406-D408 VanDerWaalsContact C-N 3.29Å; C406-D408 PolarHBondContact O-N 3.01Å
409S69Low66.1Low75 Ų75129.8 Ų129.852%0.52467%0.666SS.*THydrogen-bonded Turntrans-89.64-17653.90000115.1R405 C406 L411R405-S409 PolarHBondContact O-N 2.98Å; R405-S409 VanDerWaalsContact O-N 3.13Å; R405-S409 PolarHBondContact O-OG 3.16Å; C406-S409 PolarHBondContact O-N 3.06Å; C406-S409 PolarHBondContact O-OG 2.95Å; C406-S409 VanDerWaalsContact O-OG 3.04Å; S409-L411 VanDerWaalsContact C-N 3.28Å; S409-L411 PolarHBondContact O-N 3.27Å
410G60.7Low63.4Low62 Ų62126.2 Ų126.264%0.63967%0.673SS**THydrogen-bonded Turntrans71.414.1169.900000115.8D412G410-D412 PolarHBondContact O-N 3.22Å
411L51.2Low60.7Low146 Ų146124.5 Ų124.576%0.76468%0.68SS**  trans-78.651.5171-72.6167000111.5S409 G413S409-L411 VanDerWaalsContact C-N 3.28Å; S409-L411 PolarHBondContact O-N 3.27Å; L411-G413 VanDerWaalsContact C-N 3.31Å
412D52.6Low58Low146 Ų146126.7 Ų126.778%0.78170%0.701SS**  trans-97.320.9168.3-80.1-21.7000111.3G410G410-D412 PolarHBondContact O-N 3.22Å
413G46.3Very low55.4Low69 Ų69130 Ų13071%0.71172%0.719SS**  trans-109.556-175.800000113.9L411L411-G413 VanDerWaalsContact C-N 3.31Å
414V41.4Very low52.7Low137 Ų137130.4 Ų130.483%0.8373%0.728SS**  trans-12693.1154.6-172.60000106.7E416V414-E416 PolarHBondContact O-N 3.11Å; V414-E416 VanDerWaalsContact O-N 3.13Å
415E39.8Very low50.1Low170 Ų170129 Ų12979%0.79474%0.742SS**  trans-53115.1169.2-72179.3146.100108.7H417E415-H417 VanDerWaalsContact C-N 3.29Å; E415-H417 PolarHBondContact O-N 3.47Å
416E41.6Very low47.7Very low167 Ų167129.1 Ų129.178%0.7875%0.751SS**  trans-60.297.2162-77-176.2159.600107.5V414 K418V414-E416 PolarHBondContact O-N 3.11Å; V414-E416 VanDerWaalsContact O-N 3.13Å; E416-K418 VanDerWaalsContact C-N 3.26Å; E416-K418 PolarHBondContact O-N 3.1Å
417H36.1Very low45.6Very low157 Ų157135.7 Ų135.773%0.72777%0.772SS**  trans-58.493.9165.2-99.5-81.2000108.5E415 D419E415-H417 VanDerWaalsContact C-N 3.29Å; E415-H417 PolarHBondContact O-N 3.47Å; H417-D419 PolarHBondContact O-N 3.19Å
418K38.2Very low43.3Very low181 Ų181134.2 Ų134.279%0.78778%0.781SS**  trans-76.170.5168.7-74.2-179176.8174.50109.5E416E416-K418 VanDerWaalsContact C-N 3.26Å; E416-K418 PolarHBondContact O-N 3.1Å
419D39Very low41.2Very low140 Ų140131.6 Ų131.675%0.74978%0.778SS**  trans-91.2102.5160.3-74.9-31.9000108.5H417 V421H417-D419 PolarHBondContact O-N 3.19Å; D419-V421 PolarHBondContact O-N 2.85Å
420G35Very low39.7Very low80 Ų80140.1 Ų140.183%0.82582%0.816SS**  trans-61.2128.3178.200000111.9
421V35.9Very low38.7Very low129 Ų129144 Ų14478%0.78283%0.825SS**  trans-109.4103.4157.6-178.30000106.9D419 L423D419-V421 PolarHBondContact O-N 2.85Å; V421-L423 PolarHBondContact O-N 3.4Å
422A34.1Very low38Very low94 Ų94143.9 Ų143.978%0.77783%0.829SS**  trans-69.1118.4169.900000109.2
423L36.8Very low37.2Very low165 Ų165143.8 Ų143.886%0.86483%0.831SS**  trans-113.285.1163.5-79.3166.7000108.2V421V421-L423 PolarHBondContact O-N 3.4Å
424N32.5Very low36.6Very low167 Ų167148.2 Ų148.289%0.89384%0.838SS**  trans-75.4133.7153.7-89.4-13.4000108.1
425G35.9Very low36.4Very low77 Ų77148.9 Ų148.979%0.79484%0.839SS**  trans168.278.2172.700000113.2
426E32.4Very low36.1Very low191 Ų191147.5 Ų147.589%0.89384%0.842SS**  trans-45.6142.6159.9-64173.1141.400111.7
427K38.4Very low35.7Very low207 Ų207146.1 Ų146.190%0.985%0.846SS**  trans-159.699.6140.8-108.4171.5-166.5-173.10111.4
428S34.6Very low35.7Very low119 Ų119145.2 Ų145.283%0.83286%0.855SS**  trans-68.5133.9141.61600000108.7
429A33.9Very low35.5Very low84 Ų84142.3 Ų142.369%0.69486%0.861SS**  trans177.7124.6136.100000111.5
430L37.5Very low35.2Very low254 Ų254142.5 Ų142.5100%1.3387%0.871SS**  trans68.40160.5-70.2157.4000118.7

Retrieved 430 of 430 residues in 254.2 ms (Link to these results)

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