O96527_SCHMA Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession O96527, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene SMA2, Length 1,011 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.9Confident90.3Very high51 Ų5159.7 Ų59.725%0.25131%0.314SS..  092.50-178.3-173.1-170.300108.2T3 A4 K7 V12 H15 F16 V224M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.11Å; M1-A4 HydrophobicContact CG-CB 4.28Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-A4 HydrophobicContact SD-CB 4.23Å; M1-K7 HydrophobicContact CE-CB 4.38Å; M1-K7 HydrophobicContact CE-CD 4.41Å; M1-K7 HydrophobicContact CE-CG 3.7Å; M1-V12 HydrophobicContact SD-CG1 4.33Å; M1-V12 HydrophobicContact SD-CG2 4.15Å; M1-H15 HydrophobicContact SD-CB 4.22Å; M1-F16 HydrophobicContact CB-CE2 4Å; M1-F16 HydrophobicContact CB-CZ 3.82Å; M1-F16 HydrophobicContact SD-CE2 4.4Å; M1-V224 PolarHBondContact N-O 2.75Å
2E80.4Confident90.7Very high130 Ų13054.8 Ų54.861%0.60729%0.288SS*.G310 helixtrans-64.7-33.9-168.8-63.4-174.6153.400114A4 F5E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.44Å; E2-F5 WeakPolarHBondContact O-CD1 3.29Å; E2-F5 WeakPolarHBondContact O-CE1 3.32Å
3T89.2Confident91Very high65 Ų6552.1 Ų52.140%0.39927%0.274SS..G310 helixtrans-8715.1-17855.30000113.8M1 F5 S6M1-T3 VanDerWaalsContact C-N 3.33Å; M1-T3 PolarHBondContact O-N 3.11Å; T3-F5 PolarHBondContact O-N 3.48Å; T3-S6 PolarHBondContact O-N 3.28Å; T3-S6 PolarHBondContact O-OG 3.07Å
4A91.9Very high91.2Very high1 Ų159.6 Ų59.61%0.00831%0.306CS..G310 helixtrans-58.1-25.3-175.900000114.1M1 E2 S6 K7 V12 R164 V224M1-A4 HydrophobicContact CG-CB 4.28Å; M1-A4 WeakPolarHBondContact O-CB 3.49Å; M1-A4 PolarHBondContact O-N 3.08Å; M1-A4 HydrophobicContact SD-CB 4.23Å; E2-A4 VanDerWaalsContact C-N 3.26Å; E2-A4 PolarHBondContact O-N 3.44Å; A4-S6 VanDerWaalsContact C-N 3.26Å; A4-S6 PolarHBondContact O-N 3Å; A4-K7 PolarHBondContact O-N 3.02Å; A4-V12 HydrophobicContact CB-CG2 4.2Å; A4-R164 HydrophobicContact CB-CB 4.49Å; A4-R164 WeakPolarHBondContact O-CD 3.29Å; A4-R164 PolarHBondContact O-NE 2.77Å; A4-V224 HydrophobicContact CB-CB 4.06Å; A4-V224 HydrophobicContact CB-CG1 3.55Å; A4-V224 HydrophobicContact CB-CG2 4.38Å
5F91.6Very high91.4Very high11 Ų1163.1 Ų63.15%0.04832%0.32CS..G310 helixtrans-64.4-30.3173.962.3-92000112.6E2 T3 K7 V194 D196 P197 A199 K204 N206 I207E2-F5 WeakPolarHBondContact O-CD1 3.29Å; E2-F5 WeakPolarHBondContact O-CE1 3.32Å; T3-F5 PolarHBondContact O-N 3.48Å; F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 2.81Å; F5-V194 HydrophobicContact CD2-CB 4.27Å; F5-V194 PolarHBondContact O-N 2.74Å; F5-D196 VanDerWaalsContact CE2-O 3.3Å; F5-D196 WeakPolarHBondContact CE2-O 3.39Å; F5-P197 WeakPolarHBondContact CZ-O 3.39Å; F5-A199 HydrophobicContact CD2-CB 4.19Å; F5-A199 HydrophobicContact CE2-CB 3.96Å; F5-K204 HydrophobicContact CB-CB 4.33Å; F5-K204 HydrophobicContact CB-CD 4.4Å; F5-K204 HydrophobicContact CB-CG 4.01Å; F5-K204 HydrophobicContact CD1-CD 3.88Å; F5-K204 HydrophobicContact CD1-CG 4.18Å; F5-K204 HydrophobicContact CD2-CG 4.24Å; F5-K204 HydrophobicContact CE1-CD 4.35Å; F5-K204 HydrophobicContact CG-CD 4.11Å; F5-K204 HydrophobicContact CG-CG 3.88Å; F5-N206 WeakPolarHBondContact CA-OD1 3.22Å; F5-N206 WeakPolarHBondContact CB-OD1 3.5Å; F5-N206 PolarHBondContact O-ND2 3.03Å; F5-I207 HydrophobicContact CB-CD1 4.07Å; F5-I207 HydrophobicContact CB-CG1 3.67Å
6S92.4Very high91.5Very high34 Ų3459.8 Ų59.824%0.23830%0.303CS..G310 helixtrans-84.8-2.2179.570.10000114.2T3 A4 V194T3-S6 PolarHBondContact O-N 3.28Å; T3-S6 PolarHBondContact O-OG 3.07Å; A4-S6 VanDerWaalsContact C-N 3.26Å; A4-S6 PolarHBondContact O-N 3Å; S6-V194 WeakPolarHBondContact CA-O 3.42Å
7K92.7Very high91.5Very high69 Ų6964.7 Ų64.730%0.333%0.325SS..SBendtrans-108.1151.2-173.6-64.5-69.7-177.1-177.80111.7M1 A4 F5 E11 V12 R164M1-K7 HydrophobicContact CE-CB 4.38Å; M1-K7 HydrophobicContact CE-CD 4.41Å; M1-K7 HydrophobicContact CE-CG 3.7Å; A4-K7 PolarHBondContact O-N 3.02Å; F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 2.81Å; K7-E11 VanDerWaalsContact CA-OE2 3.31Å; K7-E11 WeakPolarHBondContact CA-OE2 3.44Å; K7-E11 HydrophobicContact CB-CB 4.21Å; K7-E11 WeakPolarHBondContact CB-OE2 3.44Å; K7-E11 HydrophobicContact CD-CB 4.4Å; K7-E11 WeakPolarHBondContact CD-OE2 3.25Å; K7-E11 IonicContact NZ-OE1 2.82Å; K7-E11 PolarHBondContact NZ-OE1 3.3Å; K7-V12 HydrophobicContact CB-CG2 3.72Å; K7-R164 PolarHBondContact O-NE 3.45Å; K7-R164 PolarHBondContact O-NH2 2.91Å
8T93.5Very high91.5Very high64 Ų6461.7 Ų61.739%0.39331%0.31SS..  trans-70.2161.1172.271.20000109.9D10 E11 V12T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 3.5Å; T8-E11 PolarHBondContact N-OE2 3.28Å; T8-E11 PolarHBondContact O-N 3.1Å; T8-E11 WeakPolarHBondContact OG1-CG 3.29Å; T8-E11 PolarHBondContact OG1-N 2.93Å; T8-E11 PolarHBondContact OG1-OE2 2.92Å; T8-V12 WeakPolarHBondContact O-CG2 3.29Å; T8-V12 PolarHBondContact O-N 2.98Å
9V93.3Very high91.5Very high29 Ų2961.3 Ų61.318%0.17631%0.31CS..Hα-helixtrans-58.8-42.5179.5172.90000110.9E11 V12 L13 I166V9-E11 PolarHBondContact O-N 3.28Å; V9-V12 PolarHBondContact O-N 2.91Å; V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CG 3.14Å; V9-L13 PolarHBondContact O-N 3.48Å; V9-I166 HydrophobicContact CG1-CB 4.16Å; V9-I166 HydrophobicContact CG1-CG1 4.08Å; V9-I166 HydrophobicContact CG1-CG2 3.77Å
10D93.4Very high91.4Very high122 Ų12260.7 Ų60.765%0.65231%0.31SS*.Hα-helixtrans-65.4-39.8-179.5-59-37000112.4T8 V12 L13 H14T8-D10 VanDerWaalsContact C-N 3.27Å; T8-D10 PolarHBondContact O-N 3.5Å; D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.01Å; D10-L13 PolarHBondContact O-N 3.27Å; D10-H14 VanDerWaalsContact O-CB 3.23Å; D10-H14 WeakPolarHBondContact O-CB 3.33Å; D10-H14 PolarHBondContact O-N 2.86Å
11E94.5Very high91.2Very high81 Ų8162.5 Ų62.538%0.37932%0.317SS..Hα-helixtrans-61.6-40.8176.1-74.3177.6125.200111.9K7 T8 V9 H15K7-E11 VanDerWaalsContact CA-OE2 3.31Å; K7-E11 WeakPolarHBondContact CA-OE2 3.44Å; K7-E11 HydrophobicContact CB-CB 4.21Å; K7-E11 WeakPolarHBondContact CB-OE2 3.44Å; K7-E11 HydrophobicContact CD-CB 4.4Å; K7-E11 WeakPolarHBondContact CD-OE2 3.25Å; K7-E11 IonicContact NZ-OE1 2.82Å; K7-E11 PolarHBondContact NZ-OE1 3.3Å; T8-E11 PolarHBondContact N-OE2 3.28Å; T8-E11 PolarHBondContact O-N 3.1Å; T8-E11 WeakPolarHBondContact OG1-CG 3.29Å; T8-E11 PolarHBondContact OG1-N 2.93Å; T8-E11 PolarHBondContact OG1-OE2 2.92Å; V9-E11 PolarHBondContact O-N 3.28Å; E11-H15 WeakPolarHBondContact O-CB 3.49Å; E11-H15 PolarHBondContact O-N 2.78Å
12V94.7Very high91.5Very high0 Ų064.1 Ų64.10%033%0.327CS..Hα-helixtrans-72.8-42.5-179.8-177.80000111M1 A4 K7 T8 V9 D10 H14 H15 F16 R164 I222 V224M1-V12 HydrophobicContact SD-CG1 4.33Å; M1-V12 HydrophobicContact SD-CG2 4.15Å; A4-V12 HydrophobicContact CB-CG2 4.2Å; K7-V12 HydrophobicContact CB-CG2 3.72Å; T8-V12 WeakPolarHBondContact O-CG2 3.29Å; T8-V12 PolarHBondContact O-N 2.98Å; V9-V12 PolarHBondContact O-N 2.91Å; D10-V12 VanDerWaalsContact C-N 3.32Å; D10-V12 PolarHBondContact O-N 3.01Å; V12-H14 VanDerWaalsContact C-N 3.32Å; V12-H14 PolarHBondContact O-N 2.91Å; V12-H15 PolarHBondContact O-N 2.88Å; V12-F16 HydrophobicContact CG1-CD2 4.03Å; V12-F16 HydrophobicContact CG1-CE2 4.06Å; V12-F16 WeakPolarHBondContact O-CD2 3.08Å; V12-F16 PolarHBondContact O-N 3.15Å; V12-R164 HydrophobicContact CG1-CB 4.45Å; V12-R164 HydrophobicContact CG2-CG 4.31Å; V12-I222 HydrophobicContact CG1-CG2 3.61Å; V12-V224 HydrophobicContact CG1-CG1 4.15Å
13L94.1Very high92.1Very high20 Ų2058 Ų5811%0.10530%0.298CS..Hα-helixtrans-60.4-42.6174.5-73.6169.4000111.4V9 D10 F16 E17 S18 P20 I150 I166 I222V9-L13 HydrophobicContact CG1-CD1 3.81Å; V9-L13 HydrophobicContact CG1-CG 4.39Å; V9-L13 WeakPolarHBondContact O-CG 3.14Å; V9-L13 PolarHBondContact O-N 3.48Å; D10-L13 PolarHBondContact O-N 3.27Å; L13-F16 PolarHBondContact O-N 3.12Å; L13-E17 PolarHBondContact O-N 3.2Å; L13-S18 PolarHBondContact O-N 3.03Å; L13-S18 VanDerWaalsContact O-N 3.17Å; L13-P20 HydrophobicContact CD1-CB 4.01Å; L13-P20 HydrophobicContact CD1-CG 4.22Å; L13-P20 HydrophobicContact CD2-CB 4.25Å; L13-I150 HydrophobicContact CD2-CD1 4.07Å; L13-I166 HydrophobicContact CD2-CD1 3.95Å; L13-I222 HydrophobicContact CD2-CD1 4.06Å
14H93.9Very high92.3Very high157 Ų15754.9 Ų54.973%0.72728%0.279SS*.Hα-helixtrans-65.2-41177.2-170.866.2000112.1D10 V12 F16 E17D10-H14 VanDerWaalsContact O-CB 3.23Å; D10-H14 WeakPolarHBondContact O-CB 3.33Å; D10-H14 PolarHBondContact O-N 2.86Å; V12-H14 VanDerWaalsContact C-N 3.32Å; V12-H14 PolarHBondContact O-N 2.91Å; H14-F16 VanDerWaalsContact C-N 3.29Å; H14-F16 PolarHBondContact O-N 3.46Å; H14-E17 PolarHBondContact O-N 3.18Å
15H94.1Very high92.4Very high112 Ų11256.3 Ų56.352%0.51929%0.289SS..Hα-helixtrans-59.4-37.6178.4-178.776.4000113.3M1 E11 V12M1-H15 HydrophobicContact SD-CB 4.22Å; E11-H15 WeakPolarHBondContact O-CB 3.49Å; E11-H15 PolarHBondContact O-N 2.78Å; V12-H15 PolarHBondContact O-N 2.88Å
16F93Very high92.4Very high10 Ų1060 Ų604%0.04431%0.309CS..Hα-helixtrans-96.9-0.8-179.7-70.3-70.5000114M1 V12 L13 H14 S18 P147 I222 V224M1-F16 HydrophobicContact CB-CE2 4Å; M1-F16 HydrophobicContact CB-CZ 3.82Å; M1-F16 HydrophobicContact SD-CE2 4.4Å; V12-F16 HydrophobicContact CG1-CD2 4.03Å; V12-F16 HydrophobicContact CG1-CE2 4.06Å; V12-F16 WeakPolarHBondContact O-CD2 3.08Å; V12-F16 PolarHBondContact O-N 3.15Å; L13-F16 PolarHBondContact O-N 3.12Å; H14-F16 VanDerWaalsContact C-N 3.29Å; H14-F16 PolarHBondContact O-N 3.46Å; F16-S18 PolarHBondContact O-N 3.27Å; F16-P147 HydrophobicContact CD1-CB 4.43Å; F16-P147 HydrophobicContact CE1-CB 3.68Å; F16-P147 HydrophobicContact CZ-CB 4.18Å; F16-I222 HydrophobicContact CB-CD1 3.94Å; F16-I222 HydrophobicContact CD2-CD1 3.84Å; F16-I222 HydrophobicContact CD2-CG1 4.32Å; F16-I222 HydrophobicContact CG-CD1 4.23Å; F16-V224 HydrophobicContact CE2-CG1 4.33Å
17E92.7Very high92.4Very high144 Ų14466.1 Ų66.167%0.67333%0.334SS*.THydrogen-bonded Turntrans50.539.2-174.8-59.7174.8-179.600112.7L13 H14 Q28L13-E17 PolarHBondContact O-N 3.2Å; H14-E17 PolarHBondContact O-N 3.18Å; E17-Q28 PolarHBondContact O-NE2 3.48Å
18S91.6Very high92.5Very high10 Ų1064.4 Ų64.47%0.0733%0.327CS..  trans-101.6136.5-174.8-164.10000111.1L13 F16 G148L13-S18 PolarHBondContact O-N 3.03Å; L13-S18 VanDerWaalsContact O-N 3.17Å; F16-S18 PolarHBondContact O-N 3.27Å; S18-G148 WeakPolarHBondContact CB-O 3.3Å; S18-G148 PolarHBondContact OG-O 3.35Å
19D90.9Very high92.4Very high55 Ų5562.2 Ų62.229%0.29431%0.313SS..BIsolated β-bridgetrans-85127.6176.3-176.7-96.5000110.1E21 N22 G23 I150D19-E21 VanDerWaalsContact C-N 3.25Å; D19-E21 PolarHBondContact O-N 3.28Å; D19-E21 PolarHBondContact OD1-N 3.03Å; D19-E21 VanDerWaalsContact OD1-N 3.14Å; D19-N22 HydrophobicContact CB-CB 4.36Å; D19-N22 WeakPolarHBondContact OD1-CB 3.12Å; D19-N22 PolarHBondContact OD1-N 3.45Å; D19-N22 PolarHBondContact OD1-ND2 3.29Å; D19-G23 WeakPolarHBondContact O-CA 3.49Å; D19-G23 PolarHBondContact O-N 2.94Å; D19-I150 WeakPolarHBondContact O-CG1 3.4Å
20P88.7Confident92.4Very high48 Ų4868.4 Ų68.431%0.31234%0.337SS..THydrogen-bonded Turntrans-67.6-19.1-173.225.3-33.9000114.8L13L13-P20 HydrophobicContact CD1-CB 4.01Å; L13-P20 HydrophobicContact CD1-CG 4.22Å; L13-P20 HydrophobicContact CD2-CB 4.25Å
21E87.4Confident92.5Very high100 Ų10070 Ų7047%0.46734%0.338SS..THydrogen-bonded Turntrans-103.9-35.4179.5-67.9-63.8156.500112.7D19 R220D19-E21 VanDerWaalsContact C-N 3.25Å; D19-E21 PolarHBondContact O-N 3.28Å; D19-E21 PolarHBondContact OD1-N 3.03Å; D19-E21 VanDerWaalsContact OD1-N 3.14Å; E21-R220 IonicContact OE1-NH1 2.69Å; E21-R220 IonicContact OE2-CZ 3.11Å; E21-R220 IonicContact OE2-NH1 2.82Å; E21-R220 PolarHBondContact OE2-NH1 2.99Å
22N88.3Confident92.4Very high85 Ų8567.6 Ų67.646%0.45533%0.327SS..THydrogen-bonded Turntrans-108.1-15-174.5-55.1-73.6000113.8D19 R131 K132D19-N22 HydrophobicContact CB-CB 4.36Å; D19-N22 WeakPolarHBondContact OD1-CB 3.12Å; D19-N22 PolarHBondContact OD1-N 3.45Å; D19-N22 PolarHBondContact OD1-ND2 3.29Å; N22-R131 CarbonylContact O-C 3.52Å; N22-R131 VanDerWaalsContact O-CA 3.29Å; N22-R131 WeakPolarHBondContact O-CA 3.43Å; N22-R131 PolarHBondContact O-N 2.93Å; N22-K132 HydrophobicContact CB-CG 3.96Å; N22-K132 PolarHBondContact O-N 3.3Å
23G92.4Very high92.3Very high0 Ų070.4 Ų70.40%035%0.345CS..BIsolated β-bridgetrans70-153.9179.600000115.4D19 F130 K132D19-G23 WeakPolarHBondContact O-CA 3.49Å; D19-G23 PolarHBondContact O-N 2.94Å; G23-F130 WeakPolarHBondContact CA-O 3.25Å; G23-K132 VanDerWaalsContact O-CE 3.32Å; G23-K132 WeakPolarHBondContact O-CE 3.4Å
24L93.9Very high92.2Very high0 Ų073.8 Ų73.80%038%0.376CS..BIsolated β-bridgetrans-79.7154.2-175.9-64.9-179.1000112.8Q28 I29 K132 V146L24-Q28 HydrophobicContact CB-CB 4.24Å; L24-Q28 HydrophobicContact CD2-CB 4.21Å; L24-I29 HydrophobicContact CB-CD1 4.39Å; L24-I29 HydrophobicContact CB-CG1 3.94Å; L24-I29 HydrophobicContact CD1-CG1 4.35Å; L24-K132 PolarHBondContact O-N 3.21Å; L24-V146 HydrophobicContact CD1-CG2 3.93Å
25S93.7Very high92.2Very high31 Ų3173.6 Ų73.622%0.21737%0.372CS..  trans-82.1159.5167.274.30000112.4E27 Q28 I29S25-E27 PolarHBondContact O-N 3.46Å; S25-Q28 WeakPolarHBondContact O-CB 3.18Å; S25-Q28 PolarHBondContact O-N 3.14Å; S25-Q28 VanDerWaalsContact O-N 3.07Å; S25-Q28 WeakPolarHBondContact OG-CG 3.36Å; S25-Q28 PolarHBondContact OG-N 2.83Å; S25-Q28 PolarHBondContact OG-OE1 3.05Å; S25-I29 WeakPolarHBondContact O-CG1 3.25Å; S25-I29 PolarHBondContact O-N 3.07Å
26D91.6Very high92.1Very high88 Ų8872.2 Ų72.247%0.47137%0.365SS..Hα-helixtrans-59.3-31.3177.2-64.3-19.2000112.9K30 S133D26-K30 WeakPolarHBondContact O-CG 3.45Å; D26-K30 PolarHBondContact O-N 2.86Å; D26-S133 VanDerWaalsContact OD1-CB 3.28Å; D26-S133 WeakPolarHBondContact OD1-CB 3.38Å; D26-S133 PolarHBondContact OD1-OG 3.39Å; D26-S133 WeakPolarHBondContact OD2-CB 3.46Å
27E93.1Very high92.1Very high163 Ų16372.9 Ų72.976%0.76238%0.375SS*.Hα-helixtrans-68.7-43.6173.8-71.1-173.3163.800112.2S25 I29 K30 K31S25-E27 PolarHBondContact O-N 3.46Å; E27-I29 VanDerWaalsContact C-N 3.32Å; E27-K30 PolarHBondContact O-N 3.03Å; E27-K31 WeakPolarHBondContact O-CB 3.25Å; E27-K31 PolarHBondContact O-N 3.44Å
28Q92.9Very high92.1Very high34 Ų3469.2 Ų69.216%0.15936%0.364CS..Hα-helixtrans-61.9-43.7175-72.8173.6-53.800110.3E17 L24 S25 K30 K31 Q32E17-Q28 PolarHBondContact O-NE2 3.48Å; L24-Q28 HydrophobicContact CB-CB 4.24Å; L24-Q28 HydrophobicContact CD2-CB 4.21Å; S25-Q28 WeakPolarHBondContact O-CB 3.18Å; S25-Q28 PolarHBondContact O-N 3.14Å; S25-Q28 VanDerWaalsContact O-N 3.07Å; S25-Q28 WeakPolarHBondContact OG-CG 3.36Å; S25-Q28 PolarHBondContact OG-N 2.83Å; S25-Q28 PolarHBondContact OG-OE1 3.05Å; Q28-K30 PolarHBondContact O-N 3.41Å; Q28-K31 PolarHBondContact O-N 3.26Å; Q28-Q32 VanDerWaalsContact O-CG 3.29Å; Q28-Q32 WeakPolarHBondContact O-CG 3.37Å; Q28-Q32 PolarHBondContact O-N 3.28Å
29I93.1Very high92.2Very high18 Ų1869.2 Ų69.29%0.09236%0.363CS..Hα-helixtrans-58.8-51.9178.3-65.8158.6000110.3L24 S25 E27 K31 Q32 T33 R131 V146L24-I29 HydrophobicContact CB-CD1 4.39Å; L24-I29 HydrophobicContact CB-CG1 3.94Å; L24-I29 HydrophobicContact CD1-CG1 4.35Å; S25-I29 WeakPolarHBondContact O-CG1 3.25Å; S25-I29 PolarHBondContact O-N 3.07Å; E27-I29 VanDerWaalsContact C-N 3.32Å; I29-K31 VanDerWaalsContact C-N 3.28Å; I29-K31 PolarHBondContact O-N 3.29Å; I29-Q32 PolarHBondContact O-N 2.9Å; I29-Q32 VanDerWaalsContact O-N 3.13Å; I29-T33 WeakPolarHBondContact O-CB 3.14Å; I29-T33 PolarHBondContact O-N 3.08Å; I29-T33 PolarHBondContact O-OG1 3.45Å; I29-R131 HydrophobicContact CD1-CB 4.41Å; I29-R131 VanDerWaalsContact CD1-CD 3.42Å; I29-R131 HydrophobicContact CD1-CG 3.89Å; I29-V146 HydrophobicContact CG2-CG2 4.46Å
30K93.2Very high92.2Very high159 Ų15970.4 Ų70.469%0.69137%0.367SS*.Hα-helixtrans-55.8-43177.3-76.6179.5-178.7176.90112.5D26 E27 Q28 A34D26-K30 WeakPolarHBondContact O-CG 3.45Å; D26-K30 PolarHBondContact O-N 2.86Å; E27-K30 PolarHBondContact O-N 3.03Å; Q28-K30 PolarHBondContact O-N 3.41Å; K30-A34 WeakPolarHBondContact O-CB 3.33Å; K30-A34 PolarHBondContact O-N 3.08Å
31K94.5Very high92Very high155 Ų15568.3 Ų68.367%0.67435%0.352SS*.Hα-helixtrans-64.1-43.9177.8-174.5-178.4178.5-1760111.8E27 Q28 I29 K35E27-K31 WeakPolarHBondContact O-CB 3.25Å; E27-K31 PolarHBondContact O-N 3.44Å; Q28-K31 PolarHBondContact O-N 3.26Å; I29-K31 VanDerWaalsContact C-N 3.28Å; I29-K31 PolarHBondContact O-N 3.29Å; K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 3.37Å
32Q92.7Very high91.7Very high30 Ų3066.1 Ų66.114%0.1435%0.347CS..Hα-helixtrans-71.2-39179.2-62.2-6314.800112Q28 I29 A34 K35 F36 V146Q28-Q32 VanDerWaalsContact O-CG 3.29Å; Q28-Q32 WeakPolarHBondContact O-CG 3.37Å; Q28-Q32 PolarHBondContact O-N 3.28Å; I29-Q32 PolarHBondContact O-N 2.9Å; I29-Q32 VanDerWaalsContact O-N 3.13Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 3.1Å; Q32-K35 PolarHBondContact O-N 3.47Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; Q32-F36 HydrophobicContact CB-CD2 4.37Å; Q32-F36 PolarHBondContact O-N 3.38Å; Q32-V146 HydrophobicContact CB-CB 3.71Å; Q32-V146 HydrophobicContact CB-CG1 4.14Å; Q32-V146 HydrophobicContact CB-CG2 3.86Å; Q32-V146 HydrophobicContact CG-CG2 4.47Å
33T92.3Very high90.8Very high60 Ų6065.5 Ų65.537%0.36835%0.354SS..Hα-helixtrans-60.8-43.4174.6-54.90000111.1I29 K35 G37 V146I29-T33 WeakPolarHBondContact O-CB 3.14Å; I29-T33 PolarHBondContact O-N 3.08Å; I29-T33 PolarHBondContact O-OG1 3.45Å; T33-K35 VanDerWaalsContact C-N 3.25Å; T33-K35 PolarHBondContact O-N 3.42Å; T33-G37 VanDerWaalsContact O-CA 3.31Å; T33-G37 WeakPolarHBondContact O-CA 3.26Å; T33-G37 PolarHBondContact O-N 2.97Å; T33-V146 WeakPolarHBondContact OG1-CG1 3.41Å
34A93Very high89.6Confident91 Ų9169.6 Ų69.675%0.75237%0.373SS*.Hα-helixtrans-65.1-29.8176.400000112.9K30 Q32K30-A34 WeakPolarHBondContact O-CB 3.33Å; K30-A34 PolarHBondContact O-N 3.08Å; Q32-A34 VanDerWaalsContact C-N 3.34Å; Q32-A34 PolarHBondContact O-N 3.1Å
35K93.2Very high88.3Confident152 Ų15278.7 Ų78.766%0.66142%0.415SS*.Hα-helixtrans-83.6-42.7-178.5-176.4176.7177.2-178.20113.4K31 Q32 T33K31-K35 WeakPolarHBondContact O-CB 3.47Å; K31-K35 PolarHBondContact O-N 3.37Å; Q32-K35 PolarHBondContact O-N 3.47Å; Q32-K35 VanDerWaalsContact O-N 3.13Å; T33-K35 VanDerWaalsContact C-N 3.25Å; T33-K35 PolarHBondContact O-N 3.42Å
36F91.6Very high86.9Confident84 Ų8481.2 Ų81.237%0.36843%0.433SS..Hα-helixtrans-108.3-12.4-169.9-67.3-68.4000113.8Q32 P147Q32-F36 HydrophobicContact CB-CD2 4.37Å; Q32-F36 PolarHBondContact O-N 3.38Å; F36-P147 HydrophobicContact CB-CG 4.23Å; F36-P147 HydrophobicContact CD1-CG 4.23Å; F36-P147 HydrophobicContact CD2-CB 4.1Å; F36-P147 HydrophobicContact CD2-CG 3.6Å; F36-P147 HydrophobicContact CE1-CG 4.5Å; F36-P147 HydrophobicContact CE2-CB 3.94Å; F36-P147 HydrophobicContact CE2-CG 3.87Å; F36-P147 HydrophobicContact CG-CG 3.77Å; F36-P147 HydrophobicContact CZ-CB 4.44Å; F36-P147 HydrophobicContact CZ-CG 4.33Å
37G92.7Very high85.9Confident24 Ų2481.5 Ų81.525%0.24743%0.43CS..  trans74-171-174.900000113.1T33T33-G37 VanDerWaalsContact O-CA 3.31Å; T33-G37 WeakPolarHBondContact O-CA 3.26Å; T33-G37 PolarHBondContact O-N 2.97Å
38P93Very high85.3Confident67 Ų6775.6 Ų75.644%0.43541%0.409SS..  trans-72.4152.6176.330.8-34.3000112.1E40 R143P38-E40 VanDerWaalsContact C-N 3.26Å; P38-E40 HydrophobicContact CB-CG 4.05Å; P38-E40 HydrophobicContact CG-CG 3.93Å; P38-E40 PolarHBondContact O-N 2.83Å; P38-E40 VanDerWaalsContact O-N 3.07Å; P38-R143 WeakPolarHBondContact CA-O 3.15Å
39N94.7Very high84.7Confident10 Ų1078.5 Ų78.55%0.05343%0.425CS..SBendtrans-83.468.8172.2179.949.1000110.8A142 R143 L145 P160 T226 G227N39-A142 WeakPolarHBondContact CB-O 3.34Å; N39-A142 PolarHBondContact ND2-O 3.34Å; N39-A142 VanDerWaalsContact ND2-O 3.07Å; N39-R143 PolarHBondContact N-O 3.3Å; N39-R143 WeakPolarHBondContact O-CA 3.27Å; N39-L145 HydrophobicContact CB-CB 4.11Å; N39-P160 PolarHBondContact ND2-O 2.97Å; N39-T226 HydrophobicContact CB-CG2 3.96Å; N39-T226 VanDerWaalsContact OD1-CA 3.29Å; N39-T226 WeakPolarHBondContact OD1-CA 3.48Å; N39-T226 VanDerWaalsContact OD1-CB 3.26Å; N39-T226 WeakPolarHBondContact OD1-CB 3.45Å; N39-G227 PolarHBondContact OD1-N 2.97Å
40E90Very high84.3Confident80 Ų8085.2 Ų85.237%0.37445%0.449SS..SBendtrans-145.4150.7176.167.3-169.5-177.600110.5P38 R143P38-E40 VanDerWaalsContact C-N 3.26Å; P38-E40 HydrophobicContact CB-CG 4.05Å; P38-E40 HydrophobicContact CG-CG 3.93Å; P38-E40 PolarHBondContact O-N 2.83Å; P38-E40 VanDerWaalsContact O-N 3.07Å; E40-R143 HydrophobicContact CB-CB 4.39Å
41L84.8Confident84Confident3 Ų381.3 Ų81.32%0.01643%0.433CS..PPolyproline II helixtrans-81.4128.6171.4-65.4169.9000109.4K120 E123 L228 R236L41-K120 WeakPolarHBondContact O-CE 3.47Å; L41-K120 PolarHBondContact O-NZ 2.87Å; L41-E123 WeakPolarHBondContact CB-OE1 3.45Å; L41-E123 HydrophobicContact CD1-CG 4.46Å; L41-E123 WeakPolarHBondContact CG-OE1 3.44Å; L41-E123 PolarHBondContact N-OE1 2.95Å; L41-L228 HydrophobicContact CD2-CD2 4.09Å; L41-R236 HydrophobicContact CD2-CB 4.3Å
42P80.1Confident83.4Confident54 Ų5474.5 Ų74.535%0.35140%0.404SS..PPolyproline II helixtrans-56.1151.1-179.5-10.69.8000112.8K120 L228 R236P42-K120 WeakPolarHBondContact O-CE 3.16Å; P42-L228 HydrophobicContact CG-CD1 4.26Å; P42-L228 HydrophobicContact CG-CD2 4.35Å; P42-L228 HydrophobicContact CG-CG 4.48Å; P42-R236 VanDerWaalsContact C-NH2 3.27Å; P42-R236 VanDerWaalsContact CB-NH2 3.31Å; P42-R236 VanDerWaalsContact CD-CZ 3.42Å; P42-R236 PolarHBondContact O-NE 3.44Å; P42-R236 PolarHBondContact O-NH2 3.42Å
43A71.3Confident83.1Confident72 Ų7275.8 Ų75.860%0.59541%0.414SS*.PPolyproline II helixtrans-71.7147.5164.900000109.8K120A43-K120 VanDerWaalsContact CA-NZ 3.28Å
44E67.1Low82.9Confident86 Ų8677.8 Ų77.840%0.40242%0.422SS..PPolyproline II helixtrans-79.8136.8170.3-167.1163.8-153.400108.7S46 I116E44-S46 PolarHBondContact O-N 3.33Å; E44-I116 WeakPolarHBondContact OE2-CD1 3.15Å; E44-I116 WeakPolarHBondContact OE2-CG1 3.24Å
45E65.9Low82.5Confident191 Ų19177.3 Ų77.389%0.89340%0.404SS*.  trans-83100.3173.4-68.5-174.8174.800107.7
46S63.4Low82Confident85 Ų8572.8 Ų72.859%0.59439%0.385SS*.PPolyproline II helixtrans-64.5139.5175.348.80000110.7E44 A48 E113E44-S46 PolarHBondContact O-N 3.33Å; S46-A48 PolarHBondContact O-N 3.31Å; S46-E113 VanDerWaalsContact CB-OE2 3.27Å; S46-E113 WeakPolarHBondContact CB-OE2 3.43Å
47K71.2Confident81.8Confident94 Ų9471.4 Ų71.441%0.40938%0.379SS..PPolyproline II helixtrans-59134.7175.7-71.4-172.9-175-1790109.1L52 E55K47-L52 HydrophobicContact CB-CD2 4.44Å; K47-L52 HydrophobicContact CB-CG 4.29Å; K47-L52 HydrophobicContact CD-CD2 4.22Å; K47-E55 VanDerWaalsContact NZ-CD 3.29Å; K47-E55 IonicContact NZ-OE1 2.82Å; K47-E55 PolarHBondContact NZ-OE1 3.25Å; K47-E55 IonicContact NZ-OE2 2.76Å; K47-E55 PolarHBondContact NZ-OE2 3.18Å
48A81.2Confident81.4Confident39 Ų3975.5 Ų75.532%0.32240%0.395SS..PPolyproline II helixtrans-67.4144.1176.800000109.9S46 W50 Q51 L52S46-A48 PolarHBondContact O-N 3.31Å; A48-W50 VanDerWaalsContact CB-CD1 3.41Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 VanDerWaalsContact CB-NE1 3.33Å; A48-W50 PolarHBondContact O-N 3.01Å; A48-Q51 WeakPolarHBondContact O-CA 3.07Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 2.99Å; A48-L52 PolarHBondContact O-N 3.33Å
49I80.9Confident80.7Confident95 Ų9575.2 Ų75.249%0.48739%0.39SS..Hα-helixtrans-52.6-35.4-176.6-60.8173.7000112.2Q51 L52 V53 V106I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.34Å; I49-L52 PolarHBondContact O-N 2.04Å; I49-V53 HydrophobicContact CG2-CG2 4.49Å; I49-V53 WeakPolarHBondContact O-CG2 3.08Å; I49-V53 PolarHBondContact O-N 3.18Å; I49-V106 HydrophobicContact CG2-CG1 4.26Å
50W84.6Confident80Confident159 Ų15978.7 Ų78.760%0.60241%0.408SS*.Hα-helixtrans-67.2-30.4178.572.2-93000113.3A48 L54A48-W50 VanDerWaalsContact CB-CD1 3.41Å; A48-W50 HydrophobicContact CB-CG 4.4Å; A48-W50 VanDerWaalsContact CB-NE1 3.33Å; A48-W50 PolarHBondContact O-N 3.01Å; W50-L54 HydrophobicContact CE3-CD1 3.49Å; W50-L54 VanDerWaalsContact CE3-CD1 3.49Å; W50-L54 HydrophobicContact CE3-CG 4.44Å; W50-L54 HydrophobicContact CZ3-CD1 3.42Å; W50-L54 VanDerWaalsContact CZ3-CD1 3.42Å; W50-L54 WeakPolarHBondContact O-CG 3.22Å; W50-L54 PolarHBondContact O-N 3.25Å; W50-L54 VanDerWaalsContact O-N 3.14Å
51Q86.9Confident79.4Confident76 Ų7676.2 Ų76.236%0.35540%0.398SS..Hα-helixtrans-70.3-44.3174.6-67.8176.4-32.500110.3A48 I49 V53 L54 E55A48-Q51 WeakPolarHBondContact O-CA 3.07Å; A48-Q51 WeakPolarHBondContact O-CB 3.45Å; A48-Q51 PolarHBondContact O-N 2.99Å; I49-Q51 VanDerWaalsContact C-N 3.32Å; I49-Q51 PolarHBondContact O-N 3.34Å; Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 3.32Å; Q51-L54 PolarHBondContact O-N 2.93Å; Q51-L54 VanDerWaalsContact O-N 3.1Å; Q51-E55 PolarHBondContact O-N 3.31Å
52L81.5Confident79.3Confident13 Ų1377.5 Ų77.57%0.06841%0.406CS..Hα-helixtrans-58.5-41.3174.4-69.1169.8000111.6K47 A48 I49 L54 E55 Q56 V106 E109K47-L52 HydrophobicContact CB-CD2 4.44Å; K47-L52 HydrophobicContact CB-CG 4.29Å; K47-L52 HydrophobicContact CD-CD2 4.22Å; A48-L52 PolarHBondContact O-N 3.33Å; I49-L52 PolarHBondContact O-N 2.04Å; L52-L54 PolarHBondContact O-N 3.1Å; L52-E55 PolarHBondContact O-N 3.1Å; L52-Q56 PolarHBondContact O-N 3.05Å; L52-V106 HydrophobicContact CB-CG1 4.25Å; L52-V106 HydrophobicContact CB-CG2 4.12Å; L52-E109 HydrophobicContact CD2-CB 4.41Å; L52-E109 HydrophobicContact CD2-CG 3.92Å
53V86.6Confident79.6Confident56 Ų5678.9 Ų78.934%0.33941%0.406SS..Hα-helixtrans-61.1-44.1175.2173.10000111.2I49 Q51 E55 Q56 F57 V106I49-V53 HydrophobicContact CG2-CG2 4.49Å; I49-V53 WeakPolarHBondContact O-CG2 3.08Å; I49-V53 PolarHBondContact O-N 3.18Å; Q51-V53 VanDerWaalsContact C-N 3.29Å; Q51-V53 PolarHBondContact O-N 3.32Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.48Å; V53-Q56 PolarHBondContact O-N 2.9Å; V53-F57 HydrophobicContact CG1-CE2 4.2Å; V53-F57 VanDerWaalsContact O-CD2 3.31Å; V53-F57 WeakPolarHBondContact O-CD2 3.27Å; V53-V106 HydrophobicContact CB-CG2 4.41Å; V53-V106 HydrophobicContact CG2-CG2 3.81Å
54L88.2Confident80.1Confident103 Ų10377 Ų7754%0.53939%0.386SS..Hα-helixtrans-65.1-35.9179.3-76.1171.8000112.8W50 Q51 L52 Q56 F57 D58W50-L54 HydrophobicContact CE3-CD1 3.49Å; W50-L54 VanDerWaalsContact CE3-CD1 3.49Å; W50-L54 HydrophobicContact CE3-CG 4.44Å; W50-L54 HydrophobicContact CZ3-CD1 3.42Å; W50-L54 VanDerWaalsContact CZ3-CD1 3.42Å; W50-L54 WeakPolarHBondContact O-CG 3.22Å; W50-L54 PolarHBondContact O-N 3.25Å; W50-L54 VanDerWaalsContact O-N 3.14Å; Q51-L54 PolarHBondContact O-N 2.93Å; Q51-L54 VanDerWaalsContact O-N 3.1Å; L52-L54 PolarHBondContact O-N 3.1Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.43Å; L54-F57 PolarHBondContact O-N 2.85Å; L54-D58 PolarHBondContact O-N 2.81Å
55E84.4Confident80.8Confident81 Ų8173.2 Ų73.238%0.37937%0.368SS..Hα-helixtrans-61.5-34.4177-74.7177.6177.300111.9K47 Q51 L52 V53 F57 D58K47-E55 VanDerWaalsContact NZ-CD 3.29Å; K47-E55 IonicContact NZ-OE1 2.82Å; K47-E55 PolarHBondContact NZ-OE1 3.25Å; K47-E55 IonicContact NZ-OE2 2.76Å; K47-E55 PolarHBondContact NZ-OE2 3.18Å; Q51-E55 PolarHBondContact O-N 3.31Å; L52-E55 PolarHBondContact O-N 3.1Å; V53-E55 VanDerWaalsContact C-N 3.33Å; V53-E55 PolarHBondContact O-N 3.48Å; E55-F57 PolarHBondContact O-N 3.46Å; E55-D58 WeakPolarHBondContact O-CB 3.35Å; E55-D58 PolarHBondContact O-N 3.46Å
56Q83.1Confident81.8Confident56 Ų5666.8 Ų66.826%0.26234%0.34SS..Hα-helixtrans-64.1-22.8175-59.4-58.4-45.800113.4L52 V53 L54 A102 V106 E109L52-Q56 PolarHBondContact O-N 3.05Å; V53-Q56 PolarHBondContact O-N 2.9Å; L54-Q56 VanDerWaalsContact C-N 3.26Å; L54-Q56 PolarHBondContact O-N 3.43Å; Q56-A102 HydrophobicContact CB-CB 4.07Å; Q56-V106 HydrophobicContact CG-CG2 4Å; Q56-E109 PolarHBondContact NE2-OE2 3.35Å
57F87.3Confident82.8Confident55 Ų5568.3 Ų68.324%0.24134%0.339CS..THydrogen-bonded Turntrans-93.21.5175.4-70.8-84.9000113.4V53 L54 E55 V62 K63 L66 L98 A102V53-F57 HydrophobicContact CG1-CE2 4.2Å; V53-F57 VanDerWaalsContact O-CD2 3.31Å; V53-F57 WeakPolarHBondContact O-CD2 3.27Å; L54-F57 PolarHBondContact O-N 2.85Å; E55-F57 PolarHBondContact O-N 3.46Å; F57-V62 HydrophobicContact CB-CG1 4.5Å; F57-V62 HydrophobicContact CD1-CG1 3.74Å; F57-V62 HydrophobicContact CE1-CG1 4.38Å; F57-V62 HydrophobicContact CG-CG1 4.39Å; F57-K63 WeakPolarHBondContact O-CE 3.35Å; F57-K63 WeakPolarHBondContact O-CG 3.3Å; F57-L66 HydrophobicContact CD1-CD2 4.41Å; F57-L98 HydrophobicContact CE1-CB 4.2Å; F57-A102 HydrophobicContact CE2-CB 3.93Å; F57-A102 HydrophobicContact CZ-CB 4.21Å
58D83.1Confident83.3Confident110 Ų11064 Ų6459%0.58832%0.321SS*.  trans-84.2-16.4-179-151.328.1000112.8L54 E55 K63L54-D58 PolarHBondContact O-N 2.81Å; E55-D58 WeakPolarHBondContact O-CB 3.35Å; E55-D58 PolarHBondContact O-N 3.46Å; D58-K63 VanDerWaalsContact O-CE 3.3Å; D58-K63 WeakPolarHBondContact O-CE 3.18Å; D58-K63 PolarHBondContact O-NZ 3.41Å; D58-K63 WeakPolarHBondContact OD1-CE 3.25Å; D58-K63 IonicContact OD1-NZ 3.93Å; D58-K63 PolarHBondContact OD1-NZ 2.98Å
59D77.6Confident83.5Confident61 Ų6162.5 Ų62.533%0.32631%0.309SS..SBendtrans-62.7141.7175.6-177-92.9000112.7L61 V62 K63D59-L61 PolarHBondContact O-N 2.97Å; D59-L61 WeakPolarHBondContact OD1-CA 3.3Å; D59-L61 VanDerWaalsContact OD1-CB 3.29Å; D59-L61 WeakPolarHBondContact OD1-CB 3.41Å; D59-L61 PolarHBondContact OD1-N 3.35Å; D59-V62 HydrophobicContact CB-CB 4.21Å; D59-V62 HydrophobicContact CB-CG2 4.05Å; D59-V62 PolarHBondContact O-N 2.8Å; D59-V62 PolarHBondContact OD1-N 3.42Å; D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 2.9Å
60L79.9Confident83.8Confident83 Ų8362.9 Ų62.944%0.43531%0.31SS..Hα-helixtrans-66.4-38.5-174.9-171.768.7000112.7K63 I64 S261L60-K63 PolarHBondContact O-N 3.19Å; L60-I64 WeakPolarHBondContact O-CG1 3.31Å; L60-I64 PolarHBondContact O-N 3.36Å; L60-I64 VanDerWaalsContact O-N 3.08Å; L60-S261 VanDerWaalsContact CD2-OG 3.27Å; L60-S261 WeakPolarHBondContact CD2-OG 3.31Å
61L78.3Confident83.7Confident28 Ų2857 Ų5715%0.14729%0.29CS..Hα-helixtrans-68.2-42.1177.8-64.3177.6000110.5D59 K63 I64 L65 L260 I307D59-L61 PolarHBondContact O-N 2.97Å; D59-L61 WeakPolarHBondContact OD1-CA 3.3Å; D59-L61 VanDerWaalsContact OD1-CB 3.29Å; D59-L61 WeakPolarHBondContact OD1-CB 3.41Å; D59-L61 PolarHBondContact OD1-N 3.35Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.95Å; L61-I64 PolarHBondContact O-N 2.91Å; L61-I64 VanDerWaalsContact O-N 3.14Å; L61-L65 PolarHBondContact O-N 2.98Å; L61-L260 HydrophobicContact CD2-CD2 4.45Å; L61-I307 HydrophobicContact CD2-CG1 4.45Å
62V82.7Confident83.4Confident30 Ų3053.6 Ų53.618%0.18228%0.275CS..Hα-helixtrans-61.8-40.4176.1174.20000110.9F57 D59 I64 L65 L66 L98F57-V62 HydrophobicContact CB-CG1 4.5Å; F57-V62 HydrophobicContact CD1-CG1 3.74Å; F57-V62 HydrophobicContact CE1-CG1 4.38Å; F57-V62 HydrophobicContact CG-CG1 4.39Å; D59-V62 HydrophobicContact CB-CB 4.21Å; D59-V62 HydrophobicContact CB-CG2 4.05Å; D59-V62 PolarHBondContact O-N 2.8Å; D59-V62 PolarHBondContact OD1-N 3.42Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.32Å; V62-L65 PolarHBondContact O-N 3.34Å; V62-L66 VanDerWaalsContact O-CB 3.31Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 2.84Å; V62-L98 HydrophobicContact CG1-CD2 3.86Å
63K86Confident83.6Confident84 Ų8457.7 Ų57.737%0.36529%0.293SS..Hα-helixtrans-62.3-38.8173.8-76.4168.8176.1158.90112.8F57 D58 D59 L60 L61 L66 M67F57-K63 WeakPolarHBondContact O-CE 3.35Å; F57-K63 WeakPolarHBondContact O-CG 3.3Å; D58-K63 VanDerWaalsContact O-CE 3.3Å; D58-K63 WeakPolarHBondContact O-CE 3.18Å; D58-K63 PolarHBondContact O-NZ 3.41Å; D58-K63 WeakPolarHBondContact OD1-CE 3.25Å; D58-K63 IonicContact OD1-NZ 3.93Å; D58-K63 PolarHBondContact OD1-NZ 2.98Å; D59-K63 WeakPolarHBondContact O-CG 3.45Å; D59-K63 PolarHBondContact O-N 2.9Å; L60-K63 PolarHBondContact O-N 3.19Å; L61-K63 VanDerWaalsContact C-N 3.3Å; L61-K63 PolarHBondContact O-N 2.95Å; K63-L66 PolarHBondContact O-N 3.34Å; K63-M67 VanDerWaalsContact O-CB 3.32Å; K63-M67 WeakPolarHBondContact O-CB 3.42Å; K63-M67 PolarHBondContact O-N 3.2Å
64I81.6Confident83.5Confident32 Ų3258.1 Ų58.116%0.16430%0.295CS..Hα-helixtrans-65.4-45.9175.7-70.3169.1000110.4L60 L61 V62 M67 A68 S261 A303 I307L60-I64 WeakPolarHBondContact O-CG1 3.31Å; L60-I64 PolarHBondContact O-N 3.36Å; L60-I64 VanDerWaalsContact O-N 3.08Å; L61-I64 PolarHBondContact O-N 2.91Å; L61-I64 VanDerWaalsContact O-N 3.14Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.32Å; I64-M67 WeakPolarHBondContact O-CB 3.33Å; I64-M67 PolarHBondContact O-N 2.94Å; I64-A68 WeakPolarHBondContact O-CB 3.09Å; I64-A68 PolarHBondContact O-N 3.03Å; I64-S261 VanDerWaalsContact CD1-OG 3.23Å; I64-S261 WeakPolarHBondContact CD1-OG 3.43Å; I64-A303 HydrophobicContact CG2-CB 4.31Å; I64-I307 HydrophobicContact CG2-CD1 4.08Å
65L82.1Confident83Confident7 Ų755 Ų554%0.03728%0.279CS..Hα-helixtrans-62.4-41.1175.3-98.1151.1000112.5L61 V62 M67 A68 A69 I94 L98 I307 E309L61-L65 PolarHBondContact O-N 2.98Å; V62-L65 PolarHBondContact O-N 3.34Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 3.08Å; L65-A68 WeakPolarHBondContact O-CB 3.42Å; L65-A68 PolarHBondContact O-N 3.46Å; L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.14Å; L65-I94 HydrophobicContact CD2-CG2 3.67Å; L65-L98 HydrophobicContact CB-CD2 3.98Å; L65-I307 HydrophobicContact CD1-CB 4.25Å; L65-I307 HydrophobicContact CD1-CD1 3.78Å; L65-I307 HydrophobicContact CD1-CG2 3.69Å; L65-I307 HydrophobicContact CG-CD1 3.78Å; L65-E309 HydrophobicContact CD1-CG 4.23Å
66L87Confident82.7Confident56 Ų5651.6 Ų51.629%0.29327%0.265SS..Hα-helixtrans-64.4-40.3175.9-175.666.2000111F57 V62 K63 A69 I70 L98F57-L66 HydrophobicContact CD1-CD2 4.41Å; V62-L66 VanDerWaalsContact O-CB 3.31Å; V62-L66 WeakPolarHBondContact O-CB 3.34Å; V62-L66 PolarHBondContact O-N 2.84Å; K63-L66 PolarHBondContact O-N 3.34Å; L66-A69 WeakPolarHBondContact O-CB 3.45Å; L66-A69 PolarHBondContact O-N 3.43Å; L66-I70 HydrophobicContact CG-CD1 4.23Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 2.9Å; L66-L98 HydrophobicContact CB-CD1 4.04Å; L66-L98 HydrophobicContact CD1-CD1 3.91Å
67M84.6Confident82.6Confident116 Ų11654.1 Ų54.157%0.57128%0.279SS*.Hα-helixtrans-63.3-44.6174.1-169.6-176.8-53.100111.2K63 I64 L65 A69 I70 I71K63-M67 VanDerWaalsContact O-CB 3.32Å; K63-M67 WeakPolarHBondContact O-CB 3.42Å; K63-M67 PolarHBondContact O-N 3.2Å; I64-M67 WeakPolarHBondContact O-CB 3.33Å; I64-M67 PolarHBondContact O-N 2.94Å; L65-M67 VanDerWaalsContact C-N 3.32Å; L65-M67 PolarHBondContact O-N 3.08Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-A69 PolarHBondContact O-N 3.31Å; M67-I70 PolarHBondContact O-N 3.34Å; M67-I71 HydrophobicContact CG-CD1 3.84Å; M67-I71 WeakPolarHBondContact O-CB 3.09Å; M67-I71 WeakPolarHBondContact O-CD1 3.32Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.27Å; M67-I71 PolarHBondContact O-N 2.86Å
68A81.8Confident82.1Confident5 Ų559 Ų594%0.04130%0.301CS..Hα-helixtrans-58.8-43.3173.500000111.8I64 L65 I71 S72 V300I64-A68 WeakPolarHBondContact O-CB 3.09Å; I64-A68 PolarHBondContact O-N 3.03Å; L65-A68 WeakPolarHBondContact O-CB 3.42Å; L65-A68 PolarHBondContact O-N 3.46Å; A68-I71 PolarHBondContact O-N 3.29Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 3.09Å; A68-V300 HydrophobicContact CB-CG1 4.07Å
69A85.1Confident81.5Confident7 Ų759 Ų596%0.05830%0.297CS..Hα-helixtrans-61.8-45.117600000112.1L65 L66 M67 S72 F73 I94L65-A69 WeakPolarHBondContact O-CB 3.32Å; L65-A69 PolarHBondContact O-N 3.14Å; L66-A69 WeakPolarHBondContact O-CB 3.45Å; L66-A69 PolarHBondContact O-N 3.43Å; M67-A69 VanDerWaalsContact C-N 3.34Å; M67-A69 PolarHBondContact O-N 3.31Å; A69-S72 PolarHBondContact O-N 3.09Å; A69-F73 VanDerWaalsContact O-CB 3.29Å; A69-F73 WeakPolarHBondContact O-CB 3.23Å; A69-F73 PolarHBondContact O-N 3.12Å; A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.68Å
70I87.2Confident80.6Confident102 Ų10264.8 Ų64.852%0.52332%0.322SS..Hα-helixtrans-63-46.4177.4-68.4165000110.3L66 M67 F73 V74L66-I70 HydrophobicContact CG-CD1 4.23Å; L66-I70 VanDerWaalsContact O-CG1 3.27Å; L66-I70 WeakPolarHBondContact O-CG1 3.39Å; L66-I70 PolarHBondContact O-N 2.9Å; M67-I70 PolarHBondContact O-N 3.34Å; I70-F73 PolarHBondContact O-N 3.12Å; I70-V74 VanDerWaalsContact O-CG2 3.31Å; I70-V74 WeakPolarHBondContact O-CG2 3.31Å; I70-V74 PolarHBondContact O-N 3.28Å
71I81.8Confident79.4Confident35 Ų3567.6 Ų67.618%0.17934%0.338CS..Hα-helixtrans-62.3-49178.8-69161.5000110.3M67 A68 F73 V74 L75 F296 V300M67-I71 HydrophobicContact CG-CD1 3.84Å; M67-I71 WeakPolarHBondContact O-CB 3.09Å; M67-I71 WeakPolarHBondContact O-CD1 3.32Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.27Å; M67-I71 PolarHBondContact O-N 2.86Å; A68-I71 PolarHBondContact O-N 3.29Å; I71-F73 VanDerWaalsContact C-N 3.28Å; I71-F73 PolarHBondContact O-N 3Å; I71-V74 PolarHBondContact O-N 3.1Å; I71-V74 VanDerWaalsContact O-N 3.12Å; I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.18Å; I71-L75 PolarHBondContact O-N 3Å; I71-F296 HydrophobicContact CB-CE1 4.39Å; I71-F296 HydrophobicContact CD1-CE1 3.58Å; I71-F296 HydrophobicContact CD1-CZ 4Å; I71-F296 HydrophobicContact CG1-CE1 3.96Å; I71-F296 HydrophobicContact CG2-CD1 3.66Å; I71-F296 HydrophobicContact CG2-CE1 3.54Å; I71-V300 HydrophobicContact CB-CG2 4.21Å; I71-V300 HydrophobicContact CG2-CG2 3.66Å
72S80.9Confident78Confident6 Ų675.9 Ų75.94%0.04238%0.376CS..Hα-helixtrans-58.7-41178.5-172.50000111.1A68 A69 V74 L75 A76 E90A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 3.09Å; A69-S72 PolarHBondContact O-N 3.09Å; S72-V74 PolarHBondContact O-N 3.03Å; S72-L75 PolarHBondContact O-N 3.5Å; S72-A76 WeakPolarHBondContact O-CB 3.44Å; S72-A76 PolarHBondContact O-N 3.31Å; S72-E90 WeakPolarHBondContact OG-CG 3.42Å; S72-E90 PolarHBondContact OG-OE1 2.84Å
73F86Confident76.7Confident99 Ų9981 Ų8143%0.43440%0.398SS..Hα-helixtrans-64.3-41.7174.8-169.7-96.1000112.9A69 I70 I71 A76 L77 F88 P91A69-F73 VanDerWaalsContact O-CB 3.29Å; A69-F73 WeakPolarHBondContact O-CB 3.23Å; A69-F73 PolarHBondContact O-N 3.12Å; I70-F73 PolarHBondContact O-N 3.12Å; I71-F73 VanDerWaalsContact C-N 3.28Å; I71-F73 PolarHBondContact O-N 3Å; F73-A76 PolarHBondContact O-N 2.84Å; F73-L77 HydrophobicContact CD1-CD1 3.97Å; F73-L77 HydrophobicContact CD1-CG 4.48Å; F73-L77 HydrophobicContact CE1-CD1 3.73Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 2.88Å; F73-F88 HydrophobicContact CD2-CD1 4.1Å; F73-F88 HydrophobicContact CD2-CE1 4.28Å; F73-F88 AromaticContact CE2-CD1 3.85Å; F73-F88 HydrophobicContact CE2-CD1 3.85Å; F73-F88 AromaticContact CE2-CE1 3.88Å; F73-F88 HydrophobicContact CE2-CE1 3.88Å; F73-F88 HydrophobicContact CZ-CE1 4.25Å; F73-P91 HydrophobicContact CB-CB 3.85Å; F73-P91 HydrophobicContact CB-CG 4.34Å; F73-P91 HydrophobicContact CD2-CB 4.13Å; F73-P91 HydrophobicContact CD2-CG 4.14Å
74V83.9Confident75.4Confident64 Ų6480.9 Ų80.939%0.38841%0.407SS..Hα-helixtrans-65.1-43.1175.9171.60000110.8I70 I71 S72 A76 L77 F78I70-V74 VanDerWaalsContact O-CG2 3.31Å; I70-V74 WeakPolarHBondContact O-CG2 3.31Å; I70-V74 PolarHBondContact O-N 3.28Å; I71-V74 PolarHBondContact O-N 3.1Å; I71-V74 VanDerWaalsContact O-N 3.12Å; S72-V74 PolarHBondContact O-N 3.03Å; V74-A76 PolarHBondContact O-N 3.2Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.33Å; V74-L77 VanDerWaalsContact O-N 3.16Å; V74-F78 HydrophobicContact CG1-CD2 3.81Å; V74-F78 HydrophobicContact CG1-CE2 3.65Å; V74-F78 WeakPolarHBondContact O-CD2 3.15Å; V74-F78 PolarHBondContact O-N 3.16Å
75L77.7Confident74.7Confident38 Ų3886.3 Ų86.320%0.19944%0.435CS..Hα-helixtrans-61.5-43.8177.1-71.7175000111.7I71 S72 L77 F78 E79 I293 K297I71-L75 HydrophobicContact CG2-CD1 3.92Å; I71-L75 HydrophobicContact CG2-CG 4.3Å; I71-L75 WeakPolarHBondContact O-CG 3.18Å; I71-L75 PolarHBondContact O-N 3Å; S72-L75 PolarHBondContact O-N 3.5Å; L75-L77 PolarHBondContact O-N 3.33Å; L75-F78 PolarHBondContact O-N 3.36Å; L75-E79 PolarHBondContact O-N 3.29Å; L75-I293 HydrophobicContact CD2-CB 4.47Å; L75-I293 HydrophobicContact CD2-CG1 4.4Å; L75-I293 HydrophobicContact CD2-CG2 3.53Å; L75-K297 HydrophobicContact CD1-CB 4.38Å
76A79.3Confident74Confident10 Ų1088.6 Ų88.68%0.08345%0.452CS..Hα-helixtrans-60.7-30.3175.500000113S72 F73 V74 A87 F88S72-A76 WeakPolarHBondContact O-CB 3.44Å; S72-A76 PolarHBondContact O-N 3.31Å; F73-A76 PolarHBondContact O-N 2.84Å; V74-A76 PolarHBondContact O-N 3.2Å; A76-A87 HydrophobicContact CB-CB 4.21Å; A76-F88 HydrophobicContact CB-CD1 4.01Å; A76-F88 HydrophobicContact CB-CE1 3.99Å; A76-F88 HydrophobicContact CB-CZ 4.49Å
77L81Confident73.3Confident108 Ų10887.1 Ų87.157%0.56545%0.447SS*.Hα-helixtrans-72.9-25.1174.5-72.6170.6000113.7F73 V74 L75 F88F73-L77 HydrophobicContact CD1-CD1 3.97Å; F73-L77 HydrophobicContact CD1-CG 4.48Å; F73-L77 HydrophobicContact CE1-CD1 3.73Å; F73-L77 HydrophobicContact CE1-CG 4.25Å; F73-L77 WeakPolarHBondContact O-CG 3.46Å; F73-L77 PolarHBondContact O-N 2.88Å; V74-L77 WeakPolarHBondContact O-CB 3.36Å; V74-L77 PolarHBondContact O-N 3.33Å; V74-L77 VanDerWaalsContact O-N 3.16Å; L75-L77 PolarHBondContact O-N 3.33Å; L77-F88 HydrophobicContact CD2-CE1 4.1Å; L77-F88 HydrophobicContact CD2-CZ 3.92Å; L77-F88 HydrophobicContact CG-CE1 4.33Å; L77-F88 HydrophobicContact CG-CZ 4.49Å
78F76.8Confident73.3Confident159 Ų15985 Ų8570%0.69744%0.435SS*.Hα-helixtrans-97.9-3.3-177.9-76.4-69.1000113.8V74 L75 E80V74-F78 HydrophobicContact CG1-CD2 3.81Å; V74-F78 HydrophobicContact CG1-CE2 3.65Å; V74-F78 WeakPolarHBondContact O-CD2 3.15Å; V74-F78 PolarHBondContact O-N 3.16Å; L75-F78 PolarHBondContact O-N 3.36Å; F78-E80 PolarHBondContact O-N 3.16Å
79E70.1Confident73.3Confident108 Ų10886.5 Ų86.551%0.50544%0.444SS..  trans-79.2110.7179.8-143164.5-156.200109.9L75 N81L75-E79 PolarHBondContact O-N 3.29Å; E79-N81 VanDerWaalsContact C-N 3.3Å; E79-N81 PolarHBondContact O-N 3.48Å
80E59.5Low72.9Confident184 Ų18487.4 Ų87.486%0.8645%0.447SS*.  trans-79.95.5-170-72.4-177151.600115.2F78F78-E80 PolarHBondContact O-N 3.16Å
81N54.5Low72.8Confident141 Ų14182.8 Ų82.875%0.75442%0.424SS*.SBendtrans-99.1155-171-78-14.5000115E79 E83E79-N81 VanDerWaalsContact C-N 3.3Å; E79-N81 PolarHBondContact O-N 3.48Å; N81-E83 PolarHBondContact O-N 3.43Å
82E48.9Very low73.1Confident203 Ų20386.6 Ų86.695%0.94944%0.444SS*.SBendtrans-61.3-6.1-166.5-71.1-177148.800117.2S84E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 3.46Å
83E54.5Low73.3Confident137 Ų13788.4 Ų88.464%0.6446%0.455SS*.  trans-92.249.4178.2-64.9-161.5162.100113.7N81 I85 S86N81-E83 PolarHBondContact O-N 3.43Å; E83-I85 PolarHBondContact O-N 3.32Å; E83-S86 WeakPolarHBondContact CB-OG 3.27Å; E83-S86 PolarHBondContact O-N 2.97Å; E83-S86 VanDerWaalsContact O-N 3.11Å; E83-S86 PolarHBondContact O-OG 3.02Å; E83-S86 VanDerWaalsContact O-OG 3.09Å; E83-S86 PolarHBondContact OE2-OG 3.32Å
84S58.8Low73.2Confident82 Ų8283.7 Ų83.757%0.57343%0.434SS*.THydrogen-bonded Turntrans-52.5-21.1-173.464.20000116.3E82 F88E82-S84 VanDerWaalsContact C-N 3.33Å; E82-S84 PolarHBondContact O-N 3.46Å; S84-F88 WeakPolarHBondContact O-CD2 3.39Å
85I67.4Low73.4Confident145 Ų14584.6 Ų84.674%0.74444%0.436SS*.THydrogen-bonded Turntrans-85.8-36.5-178.3-59.2176000112.1E83E83-I85 PolarHBondContact O-N 3.32Å
86S67.1Low73.9Confident56 Ų5688 Ų8839%0.39245%0.454SS..THydrogen-bonded Turntrans-73.1-33.4-176.357.20000111.8E83 F88 V89E83-S86 WeakPolarHBondContact CB-OG 3.27Å; E83-S86 PolarHBondContact O-N 2.97Å; E83-S86 VanDerWaalsContact O-N 3.11Å; E83-S86 PolarHBondContact O-OG 3.02Å; E83-S86 VanDerWaalsContact O-OG 3.09Å; E83-S86 PolarHBondContact OE2-OG 3.32Å; S86-F88 VanDerWaalsContact C-N 3.31Å; S86-F88 PolarHBondContact O-N 3.46Å; S86-V89 VanDerWaalsContact O-CB 3.31Å; S86-V89 WeakPolarHBondContact O-CB 3.44Å; S86-V89 WeakPolarHBondContact O-CG2 3.35Å; S86-V89 PolarHBondContact O-N 3.4Å; S86-V89 VanDerWaalsContact O-N 3.07Å
87A72.6Confident74.2Confident24 Ų2487.8 Ų87.820%0.19845%0.451CS..THydrogen-bonded Turntrans-60.7-34.4179.600000113.7A76 V89A76-A87 HydrophobicContact CB-CB 4.21Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 3.36Å
88F84Confident74.5Confident71 Ų7182.9 Ų82.931%0.31143%0.425SS..THydrogen-bonded Turntrans-82.2-6.2177.7-69.5-74.5000114.2F73 A76 L77 S84 S86 P91 L92F73-F88 HydrophobicContact CD2-CD1 4.1Å; F73-F88 HydrophobicContact CD2-CE1 4.28Å; F73-F88 AromaticContact CE2-CD1 3.85Å; F73-F88 HydrophobicContact CE2-CD1 3.85Å; F73-F88 AromaticContact CE2-CE1 3.88Å; F73-F88 HydrophobicContact CE2-CE1 3.88Å; F73-F88 HydrophobicContact CZ-CE1 4.25Å; A76-F88 HydrophobicContact CB-CD1 4.01Å; A76-F88 HydrophobicContact CB-CE1 3.99Å; A76-F88 HydrophobicContact CB-CZ 4.49Å; L77-F88 HydrophobicContact CD2-CE1 4.1Å; L77-F88 HydrophobicContact CD2-CZ 3.92Å; L77-F88 HydrophobicContact CG-CE1 4.33Å; L77-F88 HydrophobicContact CG-CZ 4.49Å; S84-F88 WeakPolarHBondContact O-CD2 3.39Å; S86-F88 VanDerWaalsContact C-N 3.31Å; S86-F88 PolarHBondContact O-N 3.46Å; F88-P91 WeakPolarHBondContact O-CD 3.31Å; F88-P91 WeakPolarHBondContact O-CG 3.28Å; F88-L92 WeakPolarHBondContact O-CB 3.35Å; F88-L92 PolarHBondContact O-N 3.48Å
89V81.9Confident75.1Confident37 Ų3779.7 Ų79.722%0.22442%0.415CS..Hα-helixtrans-63.5-45.7-179.71760000110.3S86 A87 L92 V93 V965S86-V89 VanDerWaalsContact O-CB 3.31Å; S86-V89 WeakPolarHBondContact O-CB 3.44Å; S86-V89 WeakPolarHBondContact O-CG2 3.35Å; S86-V89 PolarHBondContact O-N 3.4Å; S86-V89 VanDerWaalsContact O-N 3.07Å; A87-V89 VanDerWaalsContact C-N 3.33Å; A87-V89 PolarHBondContact O-N 3.36Å; V89-L92 PolarHBondContact O-N 2.87Å; V89-V93 HydrophobicContact CG1-CG2 3.99Å; V89-V93 VanDerWaalsContact O-CG2 3.23Å; V89-V93 WeakPolarHBondContact O-CG2 3.3Å; V89-V93 PolarHBondContact O-N 3.38Å; V89-V965 HydrophobicContact CG1-CG1 4.22Å
90E76.4Confident75.8Confident26 Ų2676.5 Ų76.512%0.12141%0.407CS..Hα-helixtrans-57.1-57.8-178.6-171.6-169.1133.200113S72 L92 V93 I94 P798 V799S72-E90 WeakPolarHBondContact OG-CG 3.42Å; S72-E90 PolarHBondContact OG-OE1 2.84Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.42Å; E90-V93 PolarHBondContact O-N 3.26Å; E90-I94 HydrophobicContact CG-CD1 4.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.31Å; E90-I94 PolarHBondContact O-N 3.15Å; E90-I94 VanDerWaalsContact O-N 3.14Å; E90-P798 HydrophobicContact CG-CB 4.19Å; E90-V799 HydrophobicContact CB-CG2 4.1Å; E90-V799 HydrophobicContact CG-CG2 4.38Å
91P85.2Confident76.7Confident6 Ų669.4 Ų69.44%0.03938%0.375CS..Hα-helixtrans-65.2-31.8-179.825.1-34.6000112.8F73 F88 L95F73-P91 HydrophobicContact CB-CB 3.85Å; F73-P91 HydrophobicContact CB-CG 4.34Å; F73-P91 HydrophobicContact CD2-CB 4.13Å; F73-P91 HydrophobicContact CD2-CG 4.14Å; F88-P91 WeakPolarHBondContact O-CD 3.31Å; F88-P91 WeakPolarHBondContact O-CG 3.28Å; P91-L95 WeakPolarHBondContact O-CB 3.29Å; P91-L95 PolarHBondContact O-N 2.96Å
92L88.2Confident78.1Confident114 Ų11463.2 Ų63.260%0.59734%0.343SS*.Hα-helixtrans-68.5-40.7178.4-168.2105.8000111.7F88 V89 E90 L95 L96F88-L92 WeakPolarHBondContact O-CB 3.35Å; F88-L92 PolarHBondContact O-N 3.48Å; V89-L92 PolarHBondContact O-N 2.87Å; E90-L92 VanDerWaalsContact C-N 3.28Å; E90-L92 PolarHBondContact O-N 3.42Å; L92-L95 PolarHBondContact O-N 2.92Å; L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.17Å; L92-L96 PolarHBondContact O-N 3.13Å
93V84.7Confident79.8Confident45 Ų4558.1 Ų58.127%0.27333%0.326SS..Hα-helixtrans-66.5-44.9177.6175.60000110.3V89 E90 L95 L96 I97 L802V89-V93 HydrophobicContact CG1-CG2 3.99Å; V89-V93 VanDerWaalsContact O-CG2 3.23Å; V89-V93 WeakPolarHBondContact O-CG2 3.3Å; V89-V93 PolarHBondContact O-N 3.38Å; E90-V93 PolarHBondContact O-N 3.26Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.49Å; V93-L96 PolarHBondContact O-N 3.15Å; V93-I97 HydrophobicContact CG1-CD1 4.09Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3.24Å; V93-L802 HydrophobicContact CB-CD1 4.21Å; V93-L802 HydrophobicContact CG1-CD1 3.68Å
94I84.2Confident80.8Confident0 Ų054.4 Ų54.40%031%0.31CS..Hα-helixtrans-59.3-46.3176.7-60.5168.3000110.2L65 A69 E90 L96 I97 L98 V304 L802L65-I94 HydrophobicContact CD2-CG2 3.67Å; A69-I94 HydrophobicContact CB-CB 4.13Å; A69-I94 HydrophobicContact CB-CG2 3.68Å; E90-I94 HydrophobicContact CG-CD1 4.27Å; E90-I94 WeakPolarHBondContact O-CG1 3.31Å; E90-I94 PolarHBondContact O-N 3.15Å; E90-I94 VanDerWaalsContact O-N 3.14Å; I94-L96 VanDerWaalsContact C-N 3.32Å; I94-L96 PolarHBondContact O-N 2.89Å; I94-I97 PolarHBondContact O-N 2.92Å; I94-L98 HydrophobicContact CG2-CD1 4.48Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.24Å; I94-V304 HydrophobicContact CD1-CG2 4.19Å; I94-L802 HydrophobicContact CG1-CD1 4.03Å
95L88.9Confident81.4Confident82 Ų8251 Ų5143%0.42929%0.288SS..Hα-helixtrans-61.9-40.2177.8-171.672000112.2P91 L92 V93 I97 L98 I99P91-L95 WeakPolarHBondContact O-CB 3.29Å; P91-L95 PolarHBondContact O-N 2.96Å; L92-L95 PolarHBondContact O-N 2.92Å; V93-L95 VanDerWaalsContact C-N 3.32Å; V93-L95 PolarHBondContact O-N 3.49Å; L95-I97 VanDerWaalsContact C-N 3.35Å; L95-L98 PolarHBondContact O-N 3.08Å; L95-I99 HydrophobicContact CG-CD1 4.09Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.29Å; L95-I99 PolarHBondContact O-N 3.48Å
96L88.8Confident81.9Confident109 Ų10945 Ų4557%0.57126%0.257SS*.Hα-helixtrans-63.7-40.6178.3-174.1147000111.6L92 V93 I94 I99 A100L92-L96 VanDerWaalsContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CB 3.17Å; L92-L96 PolarHBondContact O-N 3.13Å; V93-L96 PolarHBondContact O-N 3.15Å; I94-L96 VanDerWaalsContact C-N 3.32Å; I94-L96 PolarHBondContact O-N 2.89Å; L96-I99 PolarHBondContact O-N 3.04Å; L96-A100 WeakPolarHBondContact O-CB 3.29Å; L96-A100 PolarHBondContact O-N 2.82Å
97I85Confident82.2Confident7 Ų750.1 Ų50.14%0.03627%0.269CS..Hα-helixtrans-63.2-45.5174.8-68.6169.5000110.5V93 I94 L95 I99 A100 N101 E309 L802 L806V93-I97 HydrophobicContact CG1-CD1 4.09Å; V93-I97 WeakPolarHBondContact O-CG1 3.46Å; V93-I97 PolarHBondContact O-N 3.24Å; I94-I97 PolarHBondContact O-N 2.92Å; L95-I97 VanDerWaalsContact C-N 3.35Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 3.3Å; I97-A100 PolarHBondContact O-N 2.85Å; I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 3.47Å; I97-E309 HydrophobicContact CG2-CB 4.36Å; I97-L802 HydrophobicContact CD1-CD2 3.89Å; I97-L806 HydrophobicContact CD1-CD2 4.4Å; I97-L806 HydrophobicContact CG1-CD2 4.34Å
98L86.8Confident81.8Confident4 Ų452 Ų522%0.02127%0.273CS..Hα-helixtrans-59.6-43.1177.1-71.8-179.9000112.2F57 V62 L65 L66 I94 L95 A102F57-L98 HydrophobicContact CE1-CB 4.2Å; V62-L98 HydrophobicContact CG1-CD2 3.86Å; L65-L98 HydrophobicContact CB-CD2 3.98Å; L66-L98 HydrophobicContact CB-CD1 4.04Å; L66-L98 HydrophobicContact CD1-CD1 3.91Å; I94-L98 HydrophobicContact CG2-CD1 4.48Å; I94-L98 WeakPolarHBondContact O-CG 3.42Å; I94-L98 PolarHBondContact O-N 3.24Å; L95-L98 PolarHBondContact O-N 3.08Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.11Å
99I89.4Confident80.9Confident92 Ų9252.7 Ų52.747%0.47228%0.277SS..Hα-helixtrans-63.7-46.1175.8-68.4166.2000110.6L95 L96 I97 N101 A102 V103L95-I99 HydrophobicContact CG-CD1 4.09Å; L95-I99 VanDerWaalsContact O-CG1 3.3Å; L95-I99 WeakPolarHBondContact O-CG1 3.29Å; L95-I99 PolarHBondContact O-N 3.48Å; L96-I99 PolarHBondContact O-N 3.04Å; I97-I99 VanDerWaalsContact C-N 3.33Å; I97-I99 PolarHBondContact O-N 3.3Å; I99-N101 PolarHBondContact O-N 2.88Å; I99-A102 PolarHBondContact O-N 3.31Å; I99-V103 HydrophobicContact CG2-CG2 4.35Å; I99-V103 VanDerWaalsContact O-CG2 3.3Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.2Å
100A84.2Confident80Confident42 Ų4259 Ų5935%0.34730%0.297SS..Hα-helixtrans-60.7-45.5179.600000111.6L96 I97 V103 I104L96-A100 WeakPolarHBondContact O-CB 3.29Å; L96-A100 PolarHBondContact O-N 2.82Å; I97-A100 PolarHBondContact O-N 2.85Å; A100-V103 PolarHBondContact O-N 2.97Å; A100-I104 VanDerWaalsContact O-CG1 3.31Å; A100-I104 WeakPolarHBondContact O-CG1 3.48Å; A100-I104 PolarHBondContact O-N 3.12Å
101N78.9Confident78.9Confident35 Ų3562.5 Ų62.519%0.18732%0.317CS..Hα-helixtrans-62.3-44.3177-74.5-8.8000111.5I97 I99 V103 I104 G105I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 3.47Å; I99-N101 PolarHBondContact O-N 2.88Å; N101-V103 PolarHBondContact O-N 3.47Å; N101-I104 PolarHBondContact O-N 2.97Å; N101-G105 PolarHBondContact O-N 2.72Å
102A84.1Confident77.4Confident10 Ų1065.6 Ų65.68%0.08334%0.343CS..Hα-helixtrans-62.9-41.5176.800000112.4Q56 F57 L98 I99 G105 V106Q56-A102 HydrophobicContact CB-CB 4.07Å; F57-A102 HydrophobicContact CE2-CB 3.93Å; F57-A102 HydrophobicContact CZ-CB 4.21Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.11Å; I99-A102 PolarHBondContact O-N 3.31Å; A102-G105 PolarHBondContact O-N 3.34Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.5Å; A102-V106 PolarHBondContact O-N 3.42Å
103V84.6Confident75.8Confident96 Ų9664.7 Ų64.758%0.58234%0.336SS*.Hα-helixtrans-63.9-44.6177.2169.80000111.3I99 A100 N101 G105 W107I99-V103 HydrophobicContact CG2-CG2 4.35Å; I99-V103 VanDerWaalsContact O-CG2 3.3Å; I99-V103 WeakPolarHBondContact O-CG2 3.48Å; I99-V103 PolarHBondContact O-N 3.2Å; A100-V103 PolarHBondContact O-N 2.97Å; N101-V103 PolarHBondContact O-N 3.47Å; V103-G105 VanDerWaalsContact C-N 3.34Å; V103-W107 WeakPolarHBondContact O-CB 3.27Å; V103-W107 PolarHBondContact O-N 3.46Å
104I75.4Confident74.8Confident60 Ų6064.7 Ų64.731%0.30834%0.337SS..Hα-helixtrans-62.2-44.2177-68.2168.2000110.2A100 N101 W107 Q108 T316A100-I104 VanDerWaalsContact O-CG1 3.31Å; A100-I104 WeakPolarHBondContact O-CG1 3.48Å; A100-I104 PolarHBondContact O-N 3.12Å; N101-I104 PolarHBondContact O-N 2.97Å; I104-W107 PolarHBondContact O-N 3.48Å; I104-Q108 WeakPolarHBondContact O-CG 3.23Å; I104-Q108 PolarHBondContact O-N 3.48Å; I104-T316 HydrophobicContact CG2-CG2 4.31Å
105G72.5Confident73.5Confident11 Ų1165.2 Ų65.211%0.11334%0.342CS..Hα-helixtrans-59.5-52.6177.700000112.8N101 A102 V103 W107 Q108 E109N101-G105 PolarHBondContact O-N 2.72Å; A102-G105 PolarHBondContact O-N 3.34Å; V103-G105 VanDerWaalsContact C-N 3.34Å; G105-W107 VanDerWaalsContact C-N 3.29Å; G105-W107 PolarHBondContact O-N 3.47Å; G105-Q108 WeakPolarHBondContact O-CB 3.32Å; G105-Q108 PolarHBondContact O-N 2.92Å; G105-Q108 VanDerWaalsContact O-N 3.14Å; G105-E109 PolarHBondContact O-N 3.21Å
106V77.7Confident72.1Confident17 Ų1761.6 Ų61.610%0.10332%0.323CS..Hα-helixtrans-62.7-35.8-179.9173.90000112.3I49 L52 V53 Q56 A102 Q108 E109 R110I49-V106 HydrophobicContact CG2-CG1 4.26Å; L52-V106 HydrophobicContact CB-CG1 4.25Å; L52-V106 HydrophobicContact CB-CG2 4.12Å; V53-V106 HydrophobicContact CB-CG2 4.41Å; V53-V106 HydrophobicContact CG2-CG2 3.81Å; Q56-V106 HydrophobicContact CG-CG2 4Å; A102-V106 VanDerWaalsContact O-CG2 3.3Å; A102-V106 WeakPolarHBondContact O-CG2 3.5Å; A102-V106 PolarHBondContact O-N 3.42Å; V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 3.32Å; V106-E109 PolarHBondContact O-N 2.91Å; V106-R110 PolarHBondContact O-N 3.22Å
107W72.5Confident71.2Confident165 Ų16563.4 Ų63.463%0.62533%0.329SS*.Hα-helixtrans-65.5-33.6178.3-178.764.4000112.7V103 I104 G105 N111V103-W107 WeakPolarHBondContact O-CB 3.27Å; V103-W107 PolarHBondContact O-N 3.46Å; I104-W107 PolarHBondContact O-N 3.48Å; G105-W107 VanDerWaalsContact C-N 3.29Å; G105-W107 PolarHBondContact O-N 3.47Å; W107-N111 PolarHBondContact O-ND2 2.9Å
108Q64.8Low70.5Confident63 Ų6363.5 Ų63.529%0.29433%0.331SS..Hα-helixtrans-69.3-43.5177.1-69.5174.915.400111.9I104 G105 V106 R110 N111 T316 L336I104-Q108 WeakPolarHBondContact O-CG 3.23Å; I104-Q108 PolarHBondContact O-N 3.48Å; G105-Q108 WeakPolarHBondContact O-CB 3.32Å; G105-Q108 PolarHBondContact O-N 2.92Å; G105-Q108 VanDerWaalsContact O-N 3.14Å; V106-Q108 VanDerWaalsContact C-N 3.3Å; V106-Q108 PolarHBondContact O-N 3.32Å; Q108-R110 PolarHBondContact O-N 2.85Å; Q108-N111 PolarHBondContact O-N 3.26Å; Q108-T316 PolarHBondContact NE2-OG1 2.96Å; Q108-L336 HydrophobicContact CG-CD1 4.47Å
109E63.8Low69.4Low85 Ų8563.3 Ų63.340%0.39733%0.33SS..Hα-helixtrans-70.3-34-172.5-153.1146.6-148.100112.4L52 Q56 G105 V106 N111 A112L52-E109 HydrophobicContact CD2-CB 4.41Å; L52-E109 HydrophobicContact CD2-CG 3.92Å; Q56-E109 PolarHBondContact NE2-OE2 3.35Å; G105-E109 PolarHBondContact O-N 3.21Å; V106-E109 PolarHBondContact O-N 2.91Å; E109-N111 PolarHBondContact O-N 3.27Å; E109-N111 VanDerWaalsContact O-N 3.15Å; E109-A112 PolarHBondContact O-N 3.3Å
110R64.2Low68.6Low170 Ų17062.3 Ų62.364%0.64232%0.322SS*.G310 helixtrans-62.6-23.1179.8-173.1174.5173.9160.41.7114.3V106 Q108 A112V106-R110 PolarHBondContact O-N 3.22Å; Q108-R110 PolarHBondContact O-N 2.85Å; R110-A112 PolarHBondContact O-N 2.94Å
111N53.8Low68.2Low99 Ų9966.4 Ų66.453%0.52933%0.334SS..G310 helixtrans-78.5-3.5-176.3-70.6-35.1000113.9W107 Q108 E109W107-N111 PolarHBondContact O-ND2 2.9Å; Q108-N111 PolarHBondContact O-N 3.26Å; E109-N111 PolarHBondContact O-N 3.27Å; E109-N111 VanDerWaalsContact O-N 3.15Å
112A52.8Low67.9Low72 Ų7266.7 Ų66.760%0.59533%0.332SS*.G310 helixtrans-95.1-15.7-168.500000116.9E109 R110 S114E109-A112 PolarHBondContact O-N 3.3Å; R110-A112 PolarHBondContact O-N 2.94Å; A112-S114 PolarHBondContact O-N 3.29Å
113E55.2Low67.7Low95 Ų9568.8 Ų68.844%0.44434%0.341SS..  trans-92.923.4-158.7-71.4-173.8161.400118.5S46S46-E113 VanDerWaalsContact CB-OE2 3.27Å; S46-E113 WeakPolarHBondContact CB-OE2 3.43Å
114S62.3Low67.6Low44 Ų4465.2 Ų65.231%0.30832%0.319SS..  trans-91.8-1.8-169.781.20000117.5A112 R334 S738A112-S114 PolarHBondContact O-N 3.29Å; S114-R334 PolarHBondContact OG-NH2 3.11Å; S114-S738 PolarHBondContact OG-OG 2.82Å
115A57.4Low68.2Low12 Ų1270.2 Ų70.210%0.09934%0.341CS..Hα-helixtrans-72.9-41-16500000115.2A118 M239 S738A115-A118 PolarHBondContact O-N 3.47Å; A115-M239 HydrophobicContact CB-CE 4.02Å; A115-S738 VanDerWaalsContact CA-CB 3.4Å; A115-S738 VanDerWaalsContact CB-C 3.49Å; A115-S738 WeakPolarHBondContact CB-O 3.48Å
116I59.6Low69.1Low5 Ų573.2 Ų73.23%0.02635%0.354CS..Hα-helixtrans-74.3-32-176.6-56.8-164000111.1E44 A118 L119 R236 M240E44-I116 WeakPolarHBondContact OE2-CD1 3.15Å; E44-I116 WeakPolarHBondContact OE2-CG1 3.24Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.9Å; I116-L119 WeakPolarHBondContact O-CB 3.18Å; I116-L119 PolarHBondContact O-N 3.49Å; I116-R236 HydrophobicContact CG2-CG 4.37Å; I116-M240 HydrophobicContact CD1-CG 3.54Å; I116-M240 HydrophobicContact CD1-SD 4.45Å
117E70Confident69.8Low148 Ų14872.6 Ų72.669%0.69235%0.351SS*.Hα-helixtrans-63.2-37.5174.2-71.2-169.2153.700112L119 K120E117-L119 PolarHBondContact O-N 3.48Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 2.86Å; E117-K120 VanDerWaalsContact O-N 3.11Å
118A69.3Low70.9Confident9 Ų967.1 Ų67.17%0.07433%0.331CS..Hα-helixtrans-64-26.617700000113.1A115 I116 K120 E121 A734 V735A115-A118 PolarHBondContact O-N 3.47Å; I116-A118 VanDerWaalsContact C-N 3.31Å; I116-A118 PolarHBondContact O-N 2.9Å; A118-K120 VanDerWaalsContact C-N 3.32Å; A118-E121 PolarHBondContact O-N 2.81Å; A118-A734 HydrophobicContact CB-CB 4.33Å; A118-V735 VanDerWaalsContact C-CG2 3.5Å; A118-V735 HydrophobicContact CB-CG2 3.9Å; A118-V735 WeakPolarHBondContact O-CG2 3.45Å
119L63.9Low72.4Confident0 Ų064.1 Ų64.10%032%0.317CS..Hα-helixtrans-67.5-33.2175.2-86.2165.1000111.9I116 E117 E121 Y122 I232 R236 M239 V714 V735I116-L119 WeakPolarHBondContact O-CB 3.18Å; I116-L119 PolarHBondContact O-N 3.49Å; E117-L119 PolarHBondContact O-N 3.48Å; L119-E121 PolarHBondContact O-N 3.12Å; L119-Y122 WeakPolarHBondContact O-CB 3.32Å; L119-Y122 PolarHBondContact O-N 3.37Å; L119-Y122 VanDerWaalsContact O-N 3.11Å; L119-I232 HydrophobicContact CD2-CD1 4.15Å; L119-I232 HydrophobicContact CD2-CG1 4.1Å; L119-R236 HydrophobicContact CD1-CB 4.29Å; L119-M239 HydrophobicContact CD1-SD 3.77Å; L119-V714 HydrophobicContact CD2-CG1 3.54Å; L119-V735 HydrophobicContact CB-CG2 4.34Å; L119-V735 HydrophobicContact CD1-CG1 4.44Å; L119-V735 HydrophobicContact CD2-CB 4.49Å; L119-V735 HydrophobicContact CD2-CG1 3.83Å; L119-V735 HydrophobicContact CD2-CG2 3.89Å; L119-V735 HydrophobicContact CG-CB 4.48Å; L119-V735 HydrophobicContact CG-CG1 3.78Å; L119-V735 HydrophobicContact CG-CG2 3.79Å
120K73.2Confident73.8Confident71 Ų7160.9 Ų60.931%0.30930%0.302SS..Hα-helixtrans-65.1-22.6179.6-68.9-175.6172.4-173.10112.9L41 P42 A43 E117 A118 Y122 E123L41-K120 WeakPolarHBondContact O-CE 3.47Å; L41-K120 PolarHBondContact O-NZ 2.87Å; P42-K120 WeakPolarHBondContact O-CE 3.16Å; A43-K120 VanDerWaalsContact CA-NZ 3.28Å; E117-K120 WeakPolarHBondContact O-CB 3.36Å; E117-K120 PolarHBondContact O-N 2.86Å; E117-K120 VanDerWaalsContact O-N 3.11Å; A118-K120 VanDerWaalsContact C-N 3.32Å; K120-Y122 PolarHBondContact O-N 3.37Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; K120-E123 WeakPolarHBondContact O-CB 3.44Å; K120-E123 PolarHBondContact O-N 2.73Å
121E76.1Confident75.2Confident128 Ų12853.8 Ų53.860%0.59828%0.275SS*.THydrogen-bonded Turntrans-63.1-19.2174.6-62.6-172.6164.500113.2A118 L119 K158A118-E121 PolarHBondContact O-N 2.81Å; L119-E121 PolarHBondContact O-N 3.12Å; E121-K158 PolarHBondContact O-NZ 3.22Å
122Y73.1Confident76.9Confident40 Ų4054.6 Ų54.616%0.15727%0.274CS..THydrogen-bonded Turntrans-85.8-14.3175.5-66.7-82.1000113.3L119 K120 P124 I179 V714 T733 V735L119-Y122 WeakPolarHBondContact O-CB 3.32Å; L119-Y122 PolarHBondContact O-N 3.37Å; L119-Y122 VanDerWaalsContact O-N 3.11Å; K120-Y122 PolarHBondContact O-N 3.37Å; K120-Y122 VanDerWaalsContact O-N 3.15Å; Y122-P124 WeakPolarHBondContact O-CD 3.45Å; Y122-I179 HydrophobicContact CD1-CG2 4.09Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Y122-V714 HydrophobicContact CD2-CG2 4.45Å; Y122-V714 HydrophobicContact CE2-CG2 3.96Å; Y122-T733 WeakPolarHBondContact OH-CB 3.5Å; Y122-T733 WeakPolarHBondContact OH-CG2 3.4Å; Y122-V735 HydrophobicContact CD2-CG2 4.11Å; Y122-V735 HydrophobicContact CE2-CG2 3.61Å
123E80.3Confident78.5Confident55 Ų5554.5 Ų54.526%0.25727%0.269SS..SBendtrans-74.6122.4173.1-62.4-172.814600109.8L41 K120L41-E123 WeakPolarHBondContact CB-OE1 3.45Å; L41-E123 HydrophobicContact CD1-CG 4.46Å; L41-E123 WeakPolarHBondContact CG-OE1 3.44Å; L41-E123 PolarHBondContact N-OE1 2.95Å; K120-E123 WeakPolarHBondContact O-CB 3.44Å; K120-E123 PolarHBondContact O-N 2.73Å
124P81.8Confident80Confident21 Ų2154.1 Ų54.114%0.13627%0.267CS..  trans-70.8145.5173.427.7-31.3000110.6Y122 I126 A142 K158 P160Y122-P124 WeakPolarHBondContact O-CD 3.45Å; P124-I126 VanDerWaalsContact C-N 3.32Å; P124-I126 PolarHBondContact O-N 3.5Å; P124-A142 HydrophobicContact CG-CB 4.28Å; P124-A142 WeakPolarHBondContact O-CB 3.21Å; P124-K158 HydrophobicContact CB-CB 3.95Å; P124-K158 HydrophobicContact CG-CB 4.17Å; P124-P160 HydrophobicContact CG-CB 3.63Å
125E86.9Confident80.9Confident165 Ų16562.8 Ų62.877%0.77129%0.294SS*.SBendtrans-71.4-29.8176.6-166.1-179.9178.600112.2K141 A142E125-K141 WeakPolarHBondContact O-CA 3.19Å; E125-A142 PolarHBondContact O-N 3.31Å
126I92Very high82.2Confident74 Ų7463.6 Ų63.638%0.37930%0.304SS..EExtended strand (participates in β ladder)trans-130.5140.2-169.7-58.7171.9000110.8P124 R139 I140P124-I126 VanDerWaalsContact C-N 3.32Å; P124-I126 PolarHBondContact O-N 3.5Å; I126-R139 HydrophobicContact CG2-CB 3.96Å; I126-R139 HydrophobicContact CG2-CG 4.38Å; I126-I140 CarbonylContact C-O 3.57Å; I126-I140 WeakPolarHBondContact CA-O 3.49Å; I126-I140 WeakPolarHBondContact CG2-O 3.49Å
127A93.3Very high83.6Confident4 Ų466.7 Ų66.73%0.03332%0.32CS..EExtended strand (participates in β ladder)trans-120.8154.1171.900000111.7R139 I140 A142 L145 P160A127-R139 WeakPolarHBondContact O-CA 3.29Å; A127-I140 HydrophobicContact CB-CG1 4.38Å; A127-I140 PolarHBondContact N-O 3.36Å; A127-I140 PolarHBondContact O-N 2.89Å; A127-A142 HydrophobicContact CB-CB 4.36Å; A127-L145 HydrophobicContact CB-CD1 3.61Å; A127-L145 HydrophobicContact CB-CD2 4.15Å; A127-L145 HydrophobicContact CB-CG 3.93Å; A127-P160 HydrophobicContact CB-CB 3.98Å; A127-P160 HydrophobicContact CB-CG 3.95Å
128K95.1Very high84.7Confident50 Ų5062.5 Ų62.522%0.21730%0.301CS..EExtended strand (participates in β ladder)trans-108.1118.2176-54.8169.8-171.3157.10109.6I137 Q138 R139 V151 E152 S154 D157K128-I137 HydrophobicContact CB-CD1 3.74Å; K128-I137 HydrophobicContact CB-CG1 3.94Å; K128-I137 HydrophobicContact CD-CD1 4.22Å; K128-I137 HydrophobicContact CG-CD1 4.4Å; K128-Q138 CarbonylContact C-O 3.58Å; K128-Q138 WeakPolarHBondContact CA-O 3.42Å; K128-R139 HydrophobicContact CG-CG 4.37Å; K128-V151 WeakPolarHBondContact O-CA 3.33Å; K128-V151 WeakPolarHBondContact O-CG1 3.24Å; K128-E152 PolarHBondContact O-N 2.89Å; K128-S154 PolarHBondContact NZ-OG 2.84Å; K128-D157 IonicContact NZ-OD1 2.77Å; K128-D157 PolarHBondContact NZ-OD1 3.4Å; K128-D157 IonicContact NZ-OD2 3.87Å; K128-D157 PolarHBondContact NZ-OD2 2.87Å
129V95.3Very high85.8Confident0 Ų070.4 Ų70.40%033%0.328CS..EExtended strand (participates in β ladder)trans-128.1158.4-172.9-63.70000113R131 Q138 I140 L145 I150 V151V129-R131 HydrophobicContact CG2-CG 4.07Å; V129-Q138 HydrophobicContact CG2-CB 4.27Å; V129-Q138 PolarHBondContact N-O 3.17Å; V129-Q138 PolarHBondContact O-N 3.47Å; V129-I140 HydrophobicContact CB-CD1 4.49Å; V129-I140 HydrophobicContact CG1-CD1 3.84Å; V129-I140 HydrophobicContact CG1-CG1 4.15Å; V129-I140 HydrophobicContact CG2-CD1 3.81Å; V129-I140 HydrophobicContact CG2-CG1 3.93Å; V129-I140 HydrophobicContact CG2-CG2 3.98Å; V129-L145 HydrophobicContact CG1-CD2 3.32Å; V129-I150 CarbonylContact C-O 3.4Å; V129-I150 VanDerWaalsContact CA-O 3.25Å; V129-I150 WeakPolarHBondContact CA-O 3.45Å; V129-V151 HydrophobicContact CG1-CG2 3.97Å
130F94.5Very high87.2Confident16 Ų1671 Ų717%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-106.3126.9161.9-65.7-94.6000108.7G23 I137 I150 E152G23-F130 WeakPolarHBondContact CA-O 3.25Å; F130-I137 HydrophobicContact CE1-CB 4.28Å; F130-I137 HydrophobicContact CE2-CD1 4.41Å; F130-I137 HydrophobicContact CE2-CG1 4.34Å; F130-I137 HydrophobicContact CZ-CB 4.08Å; F130-I137 HydrophobicContact CZ-CD1 4.44Å; F130-I137 HydrophobicContact CZ-CG1 4.32Å; F130-I150 HydrophobicContact CB-CB 4.29Å; F130-I150 HydrophobicContact CB-CG2 4.47Å; F130-I150 HydrophobicContact CD2-CG2 4.15Å; F130-I150 PolarHBondContact N-O 3.43Å; F130-E152 HydrophobicContact CE2-CB 3.97Å
131R93.3Very high88.3Confident21 Ų2173 Ų738%0.07934%0.34CS..BIsolated β-bridgetrans-137.7142.8177.8-70.6-179.91661781.7108.6N22 I29 V129 S133 H134 E144 D149N22-R131 CarbonylContact O-C 3.52Å; N22-R131 VanDerWaalsContact O-CA 3.29Å; N22-R131 WeakPolarHBondContact O-CA 3.43Å; N22-R131 PolarHBondContact O-N 2.93Å; I29-R131 HydrophobicContact CD1-CB 4.41Å; I29-R131 VanDerWaalsContact CD1-CD 3.42Å; I29-R131 HydrophobicContact CD1-CG 3.89Å; V129-R131 HydrophobicContact CG2-CG 4.07Å; R131-S133 PolarHBondContact O-N 2.99Å; R131-H134 PolarHBondContact O-N 3.23Å; R131-E144 PolarHBondContact NH2-O 3.13Å; R131-D149 IonicContact CZ-OD1 3.91Å; R131-D149 IonicContact CZ-OD2 3.77Å; R131-D149 IonicContact NE-OD1 2.76Å; R131-D149 PolarHBondContact NE-OD1 3.06Å; R131-D149 IonicContact NE-OD2 2.71Å; R131-D149 IonicContact NH2-OD1 2.86Å; R131-D149 IonicContact NH2-OD2 2.68Å; R131-D149 PolarHBondContact NH2-OD2 3Å
132K89.9Confident89.1Confident117 Ų11767.1 Ų67.151%0.50931%0.313SS..THydrogen-bonded Turntrans-61.2-24.3-172.7-74.5-178.8176.8172.80113.7N22 G23 L24 H134N22-K132 HydrophobicContact CB-CG 3.96Å; N22-K132 PolarHBondContact O-N 3.3Å; G23-K132 VanDerWaalsContact O-CE 3.32Å; G23-K132 WeakPolarHBondContact O-CE 3.4Å; L24-K132 PolarHBondContact O-N 3.21Å; K132-H134 PolarHBondContact O-N 2.95Å
133S85.6Confident90.1Very high69 Ų6971.1 Ų71.148%0.48333%0.328SS..THydrogen-bonded Turntrans-73.4-11.5178.244.30000113.8D26 R131D26-S133 VanDerWaalsContact OD1-CB 3.28Å; D26-S133 WeakPolarHBondContact OD1-CB 3.38Å; D26-S133 PolarHBondContact OD1-OG 3.39Å; D26-S133 WeakPolarHBondContact OD2-CB 3.46Å; R131-S133 PolarHBondContact O-N 2.99Å
134H87.3Confident90.8Very high87 Ų8772.4 Ų72.440%0.40333%0.334SS..SBendtrans-132.4132.1-178.8-171-84.8000111.5R131 K132 G136 Q138R131-H134 PolarHBondContact O-N 3.23Å; K132-H134 PolarHBondContact O-N 2.95Å; H134-G136 PolarHBondContact ND1-O 2.9Å; H134-G136 PolarHBondContact O-N 3.49Å; H134-Q138 HydrophobicContact CB-CB 4.45Å
135Y81.1Confident91.4Very high226 Ų22671.4 Ų71.489%0.88633%0.328SS*.SBendtrans-76.6117.8175.6-174.5-100000110.5
136G84.9Confident91.9Very high30 Ų3063.6 Ų63.631%0.30929%0.291SS..SBendtrans77.2-166.4-177.800000113.4H134H134-G136 PolarHBondContact ND1-O 2.9Å; H134-G136 PolarHBondContact O-N 3.49Å
137I89.5Confident92.1Very high70 Ų7060.1 Ų60.136%0.35927%0.274SS..  trans-70.4133.4-170-159.3165.7000112.3K128 F130 E152K128-I137 HydrophobicContact CB-CD1 3.74Å; K128-I137 HydrophobicContact CB-CG1 3.94Å; K128-I137 HydrophobicContact CD-CD1 4.22Å; K128-I137 HydrophobicContact CG-CD1 4.4Å; F130-I137 HydrophobicContact CE1-CB 4.28Å; F130-I137 HydrophobicContact CE2-CD1 4.41Å; F130-I137 HydrophobicContact CE2-CG1 4.34Å; F130-I137 HydrophobicContact CZ-CB 4.08Å; F130-I137 HydrophobicContact CZ-CD1 4.44Å; F130-I137 HydrophobicContact CZ-CG1 4.32Å; I137-E152 HydrophobicContact CD1-CB 3.88Å; I137-E152 HydrophobicContact CD1-CG 4.2Å; I137-E152 VanDerWaalsContact CD1-OE1 3.23Å; I137-E152 WeakPolarHBondContact CD1-OE1 3.49Å
138Q92.2Very high92.1Very high60 Ų6060 Ų6028%0.2827%0.272SS..EExtended strand (participates in β ladder)trans-116.8139.8176.7-172.1-178.19.400110K128 V129 H134 I140K128-Q138 CarbonylContact C-O 3.58Å; K128-Q138 WeakPolarHBondContact CA-O 3.42Å; V129-Q138 HydrophobicContact CG2-CB 4.27Å; V129-Q138 PolarHBondContact N-O 3.17Å; V129-Q138 PolarHBondContact O-N 3.47Å; H134-Q138 HydrophobicContact CB-CB 4.45Å; Q138-I140 HydrophobicContact CG-CG2 4.03Å
139R92.5Very high92.2Very high175 Ų17557.6 Ų57.666%0.6626%0.262SS*.EExtended strand (participates in β ladder)trans-94.4122.8170.3-67.9-179.675.8-175.61.8109.4I126 A127 K128I126-R139 HydrophobicContact CG2-CB 3.96Å; I126-R139 HydrophobicContact CG2-CG 4.38Å; A127-R139 WeakPolarHBondContact O-CA 3.29Å; K128-R139 HydrophobicContact CG-CG 4.37Å
140I94.1Very high92.3Very high12 Ų1257.6 Ų57.66%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-125.9167.3178.264.9167.7000110.2I126 A127 V129 Q138 E144 L145I126-I140 CarbonylContact C-O 3.57Å; I126-I140 WeakPolarHBondContact CA-O 3.49Å; I126-I140 WeakPolarHBondContact CG2-O 3.49Å; A127-I140 HydrophobicContact CB-CG1 4.38Å; A127-I140 PolarHBondContact N-O 3.36Å; A127-I140 PolarHBondContact O-N 2.89Å; V129-I140 HydrophobicContact CB-CD1 4.49Å; V129-I140 HydrophobicContact CG1-CD1 3.84Å; V129-I140 HydrophobicContact CG1-CG1 4.15Å; V129-I140 HydrophobicContact CG2-CD1 3.81Å; V129-I140 HydrophobicContact CG2-CG1 3.93Å; V129-I140 HydrophobicContact CG2-CG2 3.98Å; Q138-I140 HydrophobicContact CG-CG2 4.03Å; I140-E144 HydrophobicContact CD1-CB 4.23Å; I140-L145 HydrophobicContact CD1-CD2 4.13Å; I140-L145 HydrophobicContact CD1-CG 4.41Å
141K94.8Very high92.4Very high112 Ų11256.9 Ų56.949%0.48726%0.259SS..EExtended strand (participates in β ladder)trans-66.5137170.1-65.7-176175-173.50109.4E125 R143 E144E125-K141 WeakPolarHBondContact O-CA 3.19Å; K141-R143 HydrophobicContact CB-CG 4.13Å; K141-R143 PolarHBondContact O-N 3.41Å; K141-E144 HydrophobicContact CB-CG 4.2Å; K141-E144 WeakPolarHBondContact O-CB 3.43Å; K141-E144 PolarHBondContact O-N 3.03Å
142A93.7Very high92.5Very high5 Ų556.5 Ų56.54%0.04126%0.258CS..G310 helixtrans-60.4-31-177.200000112.9N39 P124 E125 A127 E144 L145 P160N39-A142 WeakPolarHBondContact CB-O 3.34Å; N39-A142 PolarHBondContact ND2-O 3.34Å; N39-A142 VanDerWaalsContact ND2-O 3.07Å; P124-A142 HydrophobicContact CG-CB 4.28Å; P124-A142 WeakPolarHBondContact O-CB 3.21Å; E125-A142 PolarHBondContact O-N 3.31Å; A127-A142 HydrophobicContact CB-CB 4.36Å; A142-E144 PolarHBondContact O-N 3.43Å; A142-L145 VanDerWaalsContact O-CB 3.32Å; A142-L145 WeakPolarHBondContact O-CB 3.28Å; A142-L145 WeakPolarHBondContact O-CG 3.44Å; A142-L145 PolarHBondContact O-N 3.36Å; A142-L145 VanDerWaalsContact O-N 3.13Å; A142-P160 HydrophobicContact CB-CB 4.22Å
143R94Very high92.8Very high125 Ų12551.1 Ų51.147%0.47224%0.235SC..G310 helixtrans-61.2-19.9174.777.9177.4-164.3160.75.8114.8P38 N39 E40 K141 L145P38-R143 WeakPolarHBondContact CA-O 3.15Å; N39-R143 PolarHBondContact N-O 3.3Å; N39-R143 WeakPolarHBondContact O-CA 3.27Å; E40-R143 HydrophobicContact CB-CB 4.39Å; K141-R143 HydrophobicContact CB-CG 4.13Å; K141-R143 PolarHBondContact O-N 3.41Å; R143-L145 VanDerWaalsContact C-N 3.34Å
144E94.6Very high93.3Very high81 Ų8149.2 Ų49.238%0.37922%0.221SC..G310 helixtrans-90.60.3-179.6-64172.4-169.200112.7R131 I140 K141 A142R131-E144 PolarHBondContact NH2-O 3.13Å; I140-E144 HydrophobicContact CD1-CB 4.23Å; K141-E144 HydrophobicContact CB-CG 4.2Å; K141-E144 WeakPolarHBondContact O-CB 3.43Å; K141-E144 PolarHBondContact O-N 3.03Å; A142-E144 PolarHBondContact O-N 3.43Å
145L95.3Very high93.6Very high0 Ų049.6 Ų49.60%023%0.23CC..  trans-67.7143.7171.6-76.6173.2000111.2N39 A127 V129 I140 A142 R143 D149 V151 P160 A161 V223N39-L145 HydrophobicContact CB-CB 4.11Å; A127-L145 HydrophobicContact CB-CD1 3.61Å; A127-L145 HydrophobicContact CB-CD2 4.15Å; A127-L145 HydrophobicContact CB-CG 3.93Å; V129-L145 HydrophobicContact CG1-CD2 3.32Å; I140-L145 HydrophobicContact CD1-CD2 4.13Å; I140-L145 HydrophobicContact CD1-CG 4.41Å; A142-L145 VanDerWaalsContact O-CB 3.32Å; A142-L145 WeakPolarHBondContact O-CB 3.28Å; A142-L145 WeakPolarHBondContact O-CG 3.44Å; A142-L145 PolarHBondContact O-N 3.36Å; A142-L145 VanDerWaalsContact O-N 3.13Å; R143-L145 VanDerWaalsContact C-N 3.34Å; L145-D149 HydrophobicContact CD2-CB 4.1Å; L145-V151 HydrophobicContact CD1-CG2 4.49Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å; L145-P160 HydrophobicContact CD1-CB 3.55Å; L145-P160 HydrophobicContact CD1-CG 3.56Å; L145-A161 HydrophobicContact CD1-CB 4.23Å; L145-V223 HydrophobicContact CD2-CG2 4.42Å
146V95.9Very high94Very high1 Ų141.9 Ų41.91%0.00622%0.219CC..  trans-131.4154.5175.1-66.20000111.5L24 I29 Q32 T33 G148 D149L24-V146 HydrophobicContact CD1-CG2 3.93Å; I29-V146 HydrophobicContact CG2-CG2 4.46Å; Q32-V146 HydrophobicContact CB-CB 3.71Å; Q32-V146 HydrophobicContact CB-CG1 4.14Å; Q32-V146 HydrophobicContact CB-CG2 3.86Å; Q32-V146 HydrophobicContact CG-CG2 4.47Å; T33-V146 WeakPolarHBondContact OG1-CG1 3.41Å; V146-G148 PolarHBondContact O-N 2.78Å; V146-D149 PolarHBondContact N-OD2 3.09Å; V146-D149 VanDerWaalsContact N-OD2 3.13Å; V146-D149 WeakPolarHBondContact O-CB 3.48Å; V146-D149 PolarHBondContact O-N 2.86Å; V146-D149 VanDerWaalsContact O-N 3.08Å
147P96.2Very high94.4Very high2 Ų242.3 Ų42.31%0.01321%0.214CC..THydrogen-bonded Turntrans-54.6128170.9-27.137.3000111.7F16 F36 T226F16-P147 HydrophobicContact CD1-CB 4.43Å; F16-P147 HydrophobicContact CE1-CB 3.68Å; F16-P147 HydrophobicContact CZ-CB 4.18Å; F36-P147 HydrophobicContact CB-CG 4.23Å; F36-P147 HydrophobicContact CD1-CG 4.23Å; F36-P147 HydrophobicContact CD2-CB 4.1Å; F36-P147 HydrophobicContact CD2-CG 3.6Å; F36-P147 HydrophobicContact CE1-CG 4.5Å; F36-P147 HydrophobicContact CE2-CB 3.94Å; F36-P147 HydrophobicContact CE2-CG 3.87Å; F36-P147 HydrophobicContact CG-CG 3.77Å; F36-P147 HydrophobicContact CZ-CB 4.44Å; F36-P147 HydrophobicContact CZ-CG 4.33Å; P147-T226 HydrophobicContact CG-CG2 4.17Å
148G95.1Very high94.5Very high0 Ų042.8 Ų42.80%021%0.214CC..THydrogen-bonded Turntrans103.9-17-17400000115.1S18 V146 V223S18-G148 WeakPolarHBondContact CB-O 3.3Å; S18-G148 PolarHBondContact OG-O 3.35Å; V146-G148 PolarHBondContact O-N 2.78Å; G148-V223 PolarHBondContact N-O 3.26Å
149D96.2Very high94.7Very high0 Ų040 Ų400%020%0.2CC..  trans-61.1140.9175.9-90.1-28.8000110.8R131 L145 V146 I222 V223R131-D149 IonicContact CZ-OD1 3.91Å; R131-D149 IonicContact CZ-OD2 3.77Å; R131-D149 IonicContact NE-OD1 2.76Å; R131-D149 PolarHBondContact NE-OD1 3.06Å; R131-D149 IonicContact NE-OD2 2.71Å; R131-D149 IonicContact NH2-OD1 2.86Å; R131-D149 IonicContact NH2-OD2 2.68Å; R131-D149 PolarHBondContact NH2-OD2 3Å; L145-D149 HydrophobicContact CD2-CB 4.1Å; V146-D149 PolarHBondContact N-OD2 3.09Å; V146-D149 VanDerWaalsContact N-OD2 3.13Å; V146-D149 WeakPolarHBondContact O-CB 3.48Å; V146-D149 PolarHBondContact O-N 2.86Å; V146-D149 VanDerWaalsContact O-N 3.08Å; D149-I222 CarbonylContact O-C 3.58Å; D149-I222 WeakPolarHBondContact O-CA 3.3Å; D149-V223 HydrophobicContact CB-CG2 4.11Å; D149-V223 PolarHBondContact O-N 3.39Å
150I96.7Very high94.9Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-91.9115172.9-55.1-57.2000108.2L13 D19 V129 F130 I166 I222L13-I150 HydrophobicContact CD2-CD1 4.07Å; D19-I150 WeakPolarHBondContact O-CG1 3.4Å; V129-I150 CarbonylContact C-O 3.4Å; V129-I150 VanDerWaalsContact CA-O 3.25Å; V129-I150 WeakPolarHBondContact CA-O 3.45Å; F130-I150 HydrophobicContact CB-CB 4.29Å; F130-I150 HydrophobicContact CB-CG2 4.47Å; F130-I150 HydrophobicContact CD2-CG2 4.15Å; F130-I150 PolarHBondContact N-O 3.43Å; I150-I166 HydrophobicContact CD1-CD1 3.62Å; I150-I222 HydrophobicContact CD1-CB 3.84Å; I150-I222 HydrophobicContact CD1-CD1 4.12Å; I150-I222 HydrophobicContact CD1-CG1 4.09Å
151V96.7Very high95Very high1 Ų131.4 Ų31.41%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-110.6141.4-175.8174.30000109.7K128 V129 L145 V153 P160 M163 R220 G221 V223K128-V151 WeakPolarHBondContact O-CA 3.33Å; K128-V151 WeakPolarHBondContact O-CG1 3.24Å; V129-V151 HydrophobicContact CG1-CG2 3.97Å; L145-V151 HydrophobicContact CD1-CG2 4.49Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å; V151-V153 HydrophobicContact CG1-CG1 4.13Å; V151-P160 HydrophobicContact CG1-CG 4.04Å; V151-M163 HydrophobicContact CB-CE 3.66Å; V151-M163 HydrophobicContact CB-SD 4.19Å; V151-M163 HydrophobicContact CG1-CE 3.93Å; V151-M163 HydrophobicContact CG1-SD 4.02Å; V151-M163 WeakPolarHBondContact O-CE 3.37Å; V151-R220 WeakPolarHBondContact O-CA 3.3Å; V151-G221 PolarHBondContact N-O 2.79Å; V151-G221 PolarHBondContact O-N 2.57Å; V151-V223 HydrophobicContact CB-CG2 4.49Å; V151-V223 HydrophobicContact CG2-CG2 3.5Å; V151-V223 VanDerWaalsContact CG2-CG2 3.5Å
152E96.6Very high95Very high14 Ų1426.4 Ų26.47%0.06515%0.147CC..EExtended strand (participates in β ladder)trans-112.6131.8171.4-175.4173.5104.100110.4K128 F130 I137 K218 A219 R220K128-E152 PolarHBondContact O-N 2.89Å; F130-E152 HydrophobicContact CE2-CB 3.97Å; I137-E152 HydrophobicContact CD1-CB 3.88Å; I137-E152 HydrophobicContact CD1-CG 4.2Å; I137-E152 VanDerWaalsContact CD1-OE1 3.23Å; I137-E152 WeakPolarHBondContact CD1-OE1 3.49Å; E152-K218 WeakPolarHBondContact OE1-CE 3.47Å; E152-K218 IonicContact OE1-NZ 2.78Å; E152-K218 PolarHBondContact OE1-NZ 3.08Å; E152-K218 WeakPolarHBondContact OE2-CE 3.21Å; E152-K218 IonicContact OE2-NZ 3.39Å; E152-A219 WeakPolarHBondContact CA-O 3.43Å; E152-R220 HydrophobicContact CB-CG 4.18Å; E152-R220 HydrophobicContact CG-CG 4.14Å; E152-R220 IonicContact OE2-CZ 3.22Å; E152-R220 IonicContact OE2-NE 3.58Å; E152-R220 PolarHBondContact OE2-NE 3.22Å; E152-R220 VanDerWaalsContact OE2-NE 3.1Å; E152-R220 IonicContact OE2-NH2 3.66Å
153V96.5Very high95.1Very high3 Ų326.2 Ų26.22%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-124.4145177.7-65.40000110V151 M163 L208 I214 K218 A219V151-V153 HydrophobicContact CG1-CG1 4.13Å; V153-M163 HydrophobicContact CG1-SD 4.18Å; V153-L208 HydrophobicContact CG2-CD1 3.59Å; V153-I214 HydrophobicContact CB-CD1 4.28Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.91Å; V153-I214 HydrophobicContact CG2-CG1 4.01Å; V153-K218 WeakPolarHBondContact O-CA 3.12Å; V153-A219 HydrophobicContact CG2-CB 4.46Å; V153-A219 PolarHBondContact N-O 3Å; V153-A219 PolarHBondContact O-N 3.27Å
154S95.1Very high95.3Very high29 Ų2920.3 Ų20.320%0.20312%0.123CC..EExtended strand (participates in β ladder)trans-136.9165.3-178.950.40000110.6K128 G156 D157 I214 G217K128-S154 PolarHBondContact NZ-OG 2.84Å; S154-G156 PolarHBondContact O-N 3.07Å; S154-D157 WeakPolarHBondContact CA-OD2 3.28Å; S154-D157 PolarHBondContact N-OD2 3.45Å; S154-D157 VanDerWaalsContact O-CB 3.24Å; S154-D157 WeakPolarHBondContact O-CB 3.45Å; S154-D157 PolarHBondContact O-N 3.13Å; S154-D157 PolarHBondContact OG-OD2 2.95Å; S154-I214 WeakPolarHBondContact O-CB 3.48Å; S154-G217 CarbonylContact C-O 3.52Å
155V93.7Very high95.4Very high95 Ų9516.5 Ų16.558%0.57611%0.105SC*.THydrogen-bonded Turntrans-46.1130.417861.70000112.4D157 A215 G217V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 3.37Å; V155-A215 WeakPolarHBondContact CG2-O 3.38Å; V155-G217 PolarHBondContact N-O 2.95Å
156G89.3Confident95.4Very high64 Ų6417.8 Ų17.866%0.6611%0.112SC*.THydrogen-bonded Turntrans85.7-12.5-176.900000115.3S154 I214S154-G156 PolarHBondContact O-N 3.07Å; G156-I214 PolarHBondContact N-O 3.31Å
157D93.1Very high95.3Very high40 Ų4022.8 Ų22.821%0.21413%0.134CC..PPolyproline II helixtrans-73.7139.2174.5-63.8-36.4000111K128 S154 V155 I214K128-D157 IonicContact NZ-OD1 2.77Å; K128-D157 PolarHBondContact NZ-OD1 3.4Å; K128-D157 IonicContact NZ-OD2 3.87Å; K128-D157 PolarHBondContact NZ-OD2 2.87Å; S154-D157 WeakPolarHBondContact CA-OD2 3.28Å; S154-D157 PolarHBondContact N-OD2 3.45Å; S154-D157 VanDerWaalsContact O-CB 3.24Å; S154-D157 WeakPolarHBondContact O-CB 3.45Å; S154-D157 PolarHBondContact O-N 3.13Å; S154-D157 PolarHBondContact OG-OD2 2.95Å; V155-D157 VanDerWaalsContact C-N 3.31Å; V155-D157 PolarHBondContact O-N 3.37Å; D157-I214 PolarHBondContact O-N 3.07Å
158K92.9Very high95.1Very high80 Ų8024 Ų2435%0.34814%0.14SC..BIsolated β-bridgetrans-77132.9160.6-85.4175.2-175.2-177.90109.1E121 P124 P160 T212 N213E121-K158 PolarHBondContact O-NZ 3.22Å; P124-K158 HydrophobicContact CB-CB 3.95Å; P124-K158 HydrophobicContact CG-CB 4.17Å; K158-P160 WeakPolarHBondContact O-CD 3.49Å; K158-T212 CarbonylContact C-O 3.41Å; K158-T212 WeakPolarHBondContact CA-O 3.31Å; K158-N213 WeakPolarHBondContact CG-OD1 3.41Å
159V96.2Very high94.9Very high0 Ų028.2 Ų28.20%016%0.16CC..PPolyproline II helixtrans-69.8122.7176.3176.70000108.7A161 M163 L208 F209 S210 G211 T212 I214V159-A161 WeakPolarHBondContact CG1-O 3.3Å; V159-M163 HydrophobicContact CG1-CG 4.35Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; V159-L208 HydrophobicContact CG1-CB 3.87Å; V159-L208 HydrophobicContact CG2-CB 4.11Å; V159-F209 VanDerWaalsContact CB-O 3.24Å; V159-F209 WeakPolarHBondContact CB-O 3.35Å; V159-F209 VanDerWaalsContact CG1-O 3.25Å; V159-F209 WeakPolarHBondContact CG1-O 3.33Å; V159-S210 WeakPolarHBondContact O-CA 3.37Å; V159-G211 PolarHBondContact O-N 3.18Å; V159-T212 WeakPolarHBondContact CG2-O 3.29Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.25Å; V159-T212 PolarHBondContact N-O 3.11Å; V159-I214 HydrophobicContact CG2-CD1 3.78Å; V159-I214 HydrophobicContact CG2-CG1 4.42Å
160P95.6Very high94.5Very high7 Ų730 Ų305%0.04517%0.173CC..  trans-87.4-17.1-168.534.6-38.4000114.9N39 P124 A127 A142 L145 V151 K158 S210N39-P160 PolarHBondContact ND2-O 2.97Å; P124-P160 HydrophobicContact CG-CB 3.63Å; A127-P160 HydrophobicContact CB-CB 3.98Å; A127-P160 HydrophobicContact CB-CG 3.95Å; A142-P160 HydrophobicContact CB-CB 4.22Å; L145-P160 HydrophobicContact CD1-CB 3.55Å; L145-P160 HydrophobicContact CD1-CG 3.56Å; V151-P160 HydrophobicContact CG1-CG 4.04Å; K158-P160 WeakPolarHBondContact O-CD 3.49Å; P160-S210 PolarHBondContact O-OG 3.3Å
161A96Very high93.9Very high1 Ų131.8 Ų31.81%0.00818%0.184CC..SBendtrans-159.2163.8179.700000109L145 V159 M163 V223 T226L145-A161 HydrophobicContact CD1-CB 4.23Å; V159-A161 WeakPolarHBondContact CG1-O 3.3Å; A161-M163 PolarHBondContact O-N 3.26Å; A161-V223 HydrophobicContact CB-CG1 3.76Å; A161-V223 HydrophobicContact CB-CG2 4.31Å; A161-T226 HydrophobicContact CB-CG2 4.18Å
162D96.7Very high93.4Very high7 Ų732 Ų324%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-69.1125.4173.6-73.13.6000109.3L208 F209 S210 V224 S225 T230 E231D162-L208 CarbonylContact C-O 3.54Å; D162-L208 WeakPolarHBondContact CA-O 3.28Å; D162-F209 VanDerWaalsContact OD1-CA 3.29Å; D162-F209 WeakPolarHBondContact OD1-CA 3.44Å; D162-S210 PolarHBondContact OD1-N 2.85Å; D162-V224 HydrophobicContact CB-CG2 4.17Å; D162-V224 VanDerWaalsContact O-CG2 3.32Å; D162-V224 WeakPolarHBondContact O-CG2 3.38Å; D162-V224 PolarHBondContact O-N 2.99Å; D162-S225 PolarHBondContact N-O 3.33Å; D162-S225 PolarHBondContact O-N 2.89Å; D162-T230 HydrophobicContact CB-CG2 4.19Å; D162-T230 WeakPolarHBondContact OD2-CA 3.47Å; D162-E231 PolarHBondContact OD2-N 3.43Å
163M95.8Very high93.2Very high1 Ų131.3 Ų31.31%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-139.9141-172.559.9-173.4-64.500112.8V151 V153 V159 A161 I207 L208 I222V151-M163 HydrophobicContact CB-CE 3.66Å; V151-M163 HydrophobicContact CB-SD 4.19Å; V151-M163 HydrophobicContact CG1-CE 3.93Å; V151-M163 HydrophobicContact CG1-SD 4.02Å; V151-M163 WeakPolarHBondContact O-CE 3.37Å; V153-M163 HydrophobicContact CG1-SD 4.18Å; V159-M163 HydrophobicContact CG1-CG 4.35Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; A161-M163 PolarHBondContact O-N 3.26Å; M163-I207 CarbonylContact O-C 3.5Å; M163-I207 WeakPolarHBondContact O-CA 3.37Å; M163-L208 HydrophobicContact CE-CD1 4.26Å; M163-L208 HydrophobicContact CG-CB 3.62Å; M163-L208 HydrophobicContact CG-CD1 4.02Å; M163-L208 HydrophobicContact CG-CG 4.2Å; M163-L208 PolarHBondContact N-O 3.42Å; M163-L208 PolarHBondContact O-N 3.5Å; M163-L208 HydrophobicContact SD-CB 4.3Å; M163-L208 HydrophobicContact SD-CD1 3.87Å; M163-I222 CarbonylContact C-O 3.35Å; M163-I222 WeakPolarHBondContact CA-O 3.33Å; M163-I222 VanDerWaalsContact CB-O 3.3Å; M163-I222 WeakPolarHBondContact CB-O 3.35Å
164R97.1Very high93Very high1 Ų133 Ų330%0.00419%0.188CC..EExtended strand (participates in β ladder)trans-85.8123.7173.9176.165.4169.587.2-4.1109.4A4 K7 V12 I166 T191 N206 I207 G221 I222 V224A4-R164 HydrophobicContact CB-CB 4.49Å; A4-R164 WeakPolarHBondContact O-CD 3.29Å; A4-R164 PolarHBondContact O-NE 2.77Å; K7-R164 PolarHBondContact O-NE 3.45Å; K7-R164 PolarHBondContact O-NH2 2.91Å; V12-R164 HydrophobicContact CG1-CB 4.45Å; V12-R164 HydrophobicContact CG2-CG 4.31Å; R164-I166 PolarHBondContact O-N 3.1Å; R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.46Å; R164-T191 PolarHBondContact NH2-O 3.2Å; R164-N206 VanDerWaalsContact CZ-ND2 3.26Å; R164-N206 PolarHBondContact NE-ND2 3.2Å; R164-N206 PolarHBondContact NH2-ND2 2.89Å; R164-I207 HydrophobicContact CB-CD1 4.04Å; R164-G221 CarbonylContact O-C 3.5Å; R164-G221 WeakPolarHBondContact O-CA 3.32Å; R164-I222 HydrophobicContact CB-CG2 3.9Å; R164-I222 HydrophobicContact CG-CG2 4.48Å; R164-I222 PolarHBondContact N-O 3.31Å; R164-I222 PolarHBondContact O-N 3.23Å; R164-V224 HydrophobicContact CB-CG1 3.76Å
165I97.1Very high92.8Very high0 Ų031.6 Ų31.60%018%0.178CC..EExtended strand (participates in β ladder)trans-68.3125.1-179.2-59.5162.3000109.2I168 L173 K189 T191 N206 L208 A219I165-I168 HydrophobicContact CG2-CG1 3.85Å; I165-L173 HydrophobicContact CD1-CD2 3.99Å; I165-K189 HydrophobicContact CD1-CB 3.52Å; I165-K189 HydrophobicContact CD1-CD 4.32Å; I165-K189 HydrophobicContact CD1-CG 4.05Å; I165-T191 HydrophobicContact CG2-CG2 3.89Å; I165-N206 WeakPolarHBondContact CG1-O 3.48Å; I165-N206 PolarHBondContact N-O 3.14Å; I165-L208 HydrophobicContact CD1-CD2 3.9Å; I165-L208 HydrophobicContact CD1-CG 3.95Å; I165-L208 HydrophobicContact CG1-CD1 4.13Å; I165-L208 HydrophobicContact CG1-CD2 4.27Å; I165-L208 HydrophobicContact CG1-CG 3.75Å; I165-A219 HydrophobicContact CG2-CB 4.41Å
166I95.3Very high92.6Very high27 Ų2729.2 Ų29.214%0.13816%0.162CC..EExtended strand (participates in β ladder)trans-92.9-49.3176.8-66.9165.2000109.3V9 L13 I150 R164 T191 R220 I222V9-I166 HydrophobicContact CG1-CB 4.16Å; V9-I166 HydrophobicContact CG1-CG1 4.08Å; V9-I166 HydrophobicContact CG1-CG2 3.77Å; L13-I166 HydrophobicContact CD2-CD1 3.95Å; I150-I166 HydrophobicContact CD1-CD1 3.62Å; R164-I166 PolarHBondContact O-N 3.1Å; I166-T191 WeakPolarHBondContact O-CG2 3.46Å; I166-R220 PolarHBondContact N-O 3.1Å; I166-I222 HydrophobicContact CD1-CB 3.81Å; I166-I222 HydrophobicContact CD1-CG2 4.05Å; I166-I222 HydrophobicContact CG1-CB 4.41Å; I166-I222 HydrophobicContact CG1-CG2 4.11Å
167K93.7Very high92.5Very high107 Ų10726.3 Ų26.347%0.46513%0.132SC..EExtended strand (participates in β ladder)trans-147.5131.6-172.6-171.4176-176.81770110.2A219 R220K167-A219 WeakPolarHBondContact O-CA 3.35Å; K167-R220 PolarHBondContact N-O 3.26Å; K167-R220 VanDerWaalsContact N-O 3.16Å; K167-R220 PolarHBondContact O-N 2.98Å
168I92.7Very high92Very high28 Ų2826 Ų2614%0.14413%0.133CC..EExtended strand (participates in β ladder)trans-95.4123.3169.6-56.3172.8000106.8I165 S170 L173 K189 T191 A219I165-I168 HydrophobicContact CG2-CG1 3.85Å; I168-S170 VanDerWaalsContact CG2-O 3.29Å; I168-S170 WeakPolarHBondContact CG2-O 3.42Å; I168-L173 HydrophobicContact CD1-CB 4.22Å; I168-L173 HydrophobicContact CG1-CB 4.37Å; I168-L173 HydrophobicContact CG2-CB 3.89Å; I168-K189 WeakPolarHBondContact CD1-O 3.21Å; I168-T191 HydrophobicContact CD1-CG2 4.47Å; I168-T191 HydrophobicContact CG1-CG2 4.21Å; I168-A219 HydrophobicContact CG1-CB 4.45Å
169M90Very high91.5Very high88 Ų8822.6 Ų22.643%0.43312%0.118SC..  trans-92.1-22.8-176.1-59.5-174.675.400112.5K218 R220M169-K218 HydrophobicContact CB-CB 4.36Å; M169-K218 HydrophobicContact CB-CG 4.29Å; M169-K218 PolarHBondContact N-O 3.18Å; M169-K218 HydrophobicContact SD-CD 4.16Å; M169-K218 HydrophobicContact SD-CG 4.26Å; M169-R220 HydrophobicContact SD-CG 4.22Å
170S88.8Confident90.8Very high38 Ų3822.9 Ų22.927%0.26612%0.119SC..SBendtrans-91.3171.3170.252.40000111.6I168 T172 G217 K218I168-S170 VanDerWaalsContact CG2-O 3.29Å; I168-S170 WeakPolarHBondContact CG2-O 3.42Å; S170-T172 VanDerWaalsContact C-N 3.34Å; S170-T172 PolarHBondContact O-N 3.41Å; S170-T172 PolarHBondContact OG-O 2.92Å; S170-G217 WeakPolarHBondContact OG-CA 3.34Å; S170-K218 PolarHBondContact N-O 3.4Å; S170-K218 PolarHBondContact OG-N 2.79Å; S170-K218 PolarHBondContact OG-O 3.08Å
171T83.3Confident89.9Confident36 Ų3623.2 Ų23.222%0.22112%0.122CC..SBendtrans-60.8-42.5174.4-59.80000112.6E486 S590T171-E486 WeakPolarHBondContact CB-OE1 3.47Å; T171-E486 HydrophobicContact CG2-CG 3.88Å; T171-E486 PolarHBondContact OG1-OE1 2.93Å; T171-S590 WeakPolarHBondContact CG2-OG 3.46Å
172T87.1Confident88.7Confident6 Ų623.5 Ų23.54%0.03712%0.124CC..  trans-134.4150.6171.461.20000111S170 I188 F487 R489S170-T172 VanDerWaalsContact C-N 3.34Å; S170-T172 PolarHBondContact O-N 3.41Å; S170-T172 PolarHBondContact OG-O 2.92Å; T172-I188 HydrophobicContact CG2-CG2 4.4Å; T172-F487 WeakPolarHBondContact CG2-O 3.4Å; T172-R489 HydrophobicContact CG2-CG 4.39Å
173L92.2Very high87.6Confident0 Ų025.1 Ų25.10%013%0.132CC..  trans-109.9123.9166.1-175.271.5000107.5I165 I168 V175 I188 K189 L208 I214 A219I165-L173 HydrophobicContact CD1-CD2 3.99Å; I168-L173 HydrophobicContact CD1-CB 4.22Å; I168-L173 HydrophobicContact CG1-CB 4.37Å; I168-L173 HydrophobicContact CG2-CB 3.89Å; L173-V175 HydrophobicContact CD2-CG2 4.33Å; L173-V175 HydrophobicContact CG-CG2 4.17Å; L173-I188 WeakPolarHBondContact O-CA 3.42Å; L173-K189 HydrophobicContact CB-CB 4.38Å; L173-K189 HydrophobicContact CD2-CB 3.99Å; L173-K189 HydrophobicContact CD2-CG 4.36Å; L173-K189 HydrophobicContact CG-CB 4.45Å; L173-K189 PolarHBondContact O-N 2.79Å; L173-L208 HydrophobicContact CD2-CD1 4.37Å; L173-L208 HydrophobicContact CD2-CD2 3.92Å; L173-I214 HydrophobicContact CD1-CG2 3.87Å; L173-A219 HydrophobicContact CD1-CB 3.91Å; L173-A219 HydrophobicContact CD2-CB 3.52Å; L173-A219 HydrophobicContact CG-CB 4.26Å
174R90.6Very high86.4Confident37 Ų3726.3 Ų26.314%0.1414%0.14CC..EExtended strand (participates in β ladder)trans-117.5132.6176.5-61.8-171.5-179.6-163.54.7109.6S186 V187 I188 A215 A216 E439R174-S186 WeakPolarHBondContact CD-OG 3.31Å; R174-V187 WeakPolarHBondContact CA-O 3.32Å; R174-I188 HydrophobicContact CG-CG1 4.43Å; R174-A215 HydrophobicContact CB-CB 4.25Å; R174-A215 PolarHBondContact O-N 2.84Å; R174-A216 HydrophobicContact CB-CB 4.04Å; R174-A216 HydrophobicContact CG-CB 4.3Å; R174-A216 PolarHBondContact N-O 3.5Å; R174-A216 PolarHBondContact O-N 3.42Å; R174-A216 VanDerWaalsContact O-N 3.13Å; R174-E439 IonicContact CZ-OE1 2.73Å; R174-E439 IonicContact NH1-OE1 2.98Å; R174-E439 PolarHBondContact NH1-OE1 3.09Å
175V92Very high85.4Confident0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-129128.1-174.4-1720000108.9L173 Q177 S186 V187 K189 L208 N213 I214L173-V175 HydrophobicContact CD2-CG2 4.33Å; L173-V175 HydrophobicContact CG-CG2 4.17Å; V175-Q177 HydrophobicContact CB-CG 4.48Å; V175-Q177 HydrophobicContact CG1-CG 3.97Å; V175-Q177 PolarHBondContact O-N 2.97Å; V175-S186 WeakPolarHBondContact O-CA 3.29Å; V175-V187 PolarHBondContact N-O 3.27Å; V175-V187 PolarHBondContact O-N 3.05Å; V175-K189 HydrophobicContact CB-CG 4.36Å; V175-K189 HydrophobicContact CG2-CG 3.59Å; V175-L208 HydrophobicContact CG1-CD2 4.46Å; V175-L208 HydrophobicContact CG2-CD2 3.51Å; V175-N213 CarbonylContact C-O 3.38Å; V175-N213 WeakPolarHBondContact CA-O 3.49Å; V175-N213 WeakPolarHBondContact CG1-O 3.47Å; V175-I214 HydrophobicContact CG1-CD1 4.34Å; V175-I214 HydrophobicContact CG2-CD1 3.92Å
176D89.2Confident84.9Confident46 Ų4628.4 Ų28.425%0.24615%0.154CC..EExtended strand (participates in β ladder)trans-79.1111.7167.8-179.4-1000108.7S178 T212 N213D176-S178 WeakPolarHBondContact OD1-CB 3.36Å; D176-S178 PolarHBondContact OD1-N 2.83Å; D176-S178 PolarHBondContact OD1-OG 3.45Å; D176-T212 WeakPolarHBondContact O-CB 3.44Å; D176-N213 HydrophobicContact CB-CB 4.37Å; D176-N213 PolarHBondContact N-O 3.33Å; D176-N213 PolarHBondContact O-N 3.16Å
177Q88.1Confident84.4Confident3 Ų329.1 Ų29.11%0.01416%0.159CC..  trans-110.920.7179.4-74.1169.187.500111.7V175 I179 L180 T181 V187 K189 F209 T212V175-Q177 HydrophobicContact CB-CG 4.48Å; V175-Q177 HydrophobicContact CG1-CG 3.97Å; V175-Q177 PolarHBondContact O-N 2.97Å; Q177-I179 PolarHBondContact O-N 3.1Å; Q177-I179 VanDerWaalsContact O-N 3.15Å; Q177-L180 PolarHBondContact O-N 2.87Å; Q177-T181 HydrophobicContact CB-CG2 4.23Å; Q177-T181 PolarHBondContact O-N 3.24Å; Q177-T181 PolarHBondContact O-OG1 3.09Å; Q177-V187 VanDerWaalsContact NE2-CB 3.27Å; Q177-K189 VanDerWaalsContact CD-NZ 3.27Å; Q177-F209 VanDerWaalsContact OE1-CE2 3.32Å; Q177-T212 HydrophobicContact CB-CG2 4.45Å; Q177-T212 HydrophobicContact CG-CG2 3.94Å
178S80.8Confident84.2Confident34 Ų3425.7 Ų25.724%0.23815%0.145CC..Hα-helixtrans-51.9-37.1179.950.20000112.6D176 L180 T181 G182 E183D176-S178 WeakPolarHBondContact OD1-CB 3.36Å; D176-S178 PolarHBondContact OD1-N 2.83Å; D176-S178 PolarHBondContact OD1-OG 3.45Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.45Å; S178-T181 PolarHBondContact O-N 3.45Å; S178-G182 VanDerWaalsContact O-CA 3.29Å; S178-G182 WeakPolarHBondContact O-CA 3.48Å; S178-G182 PolarHBondContact O-N 3.44Å; S178-E183 WeakPolarHBondContact CA-O 3.43Å; S178-E183 WeakPolarHBondContact CB-O 3.3Å; S178-E183 PolarHBondContact N-O 3.34Å
179I83.3Confident84.1Confident8 Ų824.4 Ų24.44%0.04114%0.139CC..Hα-helixtrans-59.9-33.3178.258.5148.3000114Y122 Q177 G211 T212 V714 N715Y122-I179 HydrophobicContact CD1-CG2 4.09Å; Y122-I179 HydrophobicContact CE1-CG2 3.71Å; Q177-I179 PolarHBondContact O-N 3.1Å; Q177-I179 VanDerWaalsContact O-N 3.15Å; I179-G211 WeakPolarHBondContact CD1-O 3.27Å; I179-T212 HydrophobicContact CD1-CG2 3.92Å; I179-T212 HydrophobicContact CG1-CG2 3.9Å; I179-V714 HydrophobicContact CB-CB 4.27Å; I179-V714 HydrophobicContact CB-CG2 4.21Å; I179-V714 HydrophobicContact CG2-CG2 4.33Å; I179-V714 VanDerWaalsContact O-CB 3.31Å; I179-V714 WeakPolarHBondContact O-CB 3.45Å; I179-V714 PolarHBondContact O-N 3.04Å; I179-N715 PolarHBondContact O-N 2.92Å; I179-N715 PolarHBondContact O-OD1 3.34Å
180L81.5Confident84.1Confident5 Ų523.2 Ų23.23%0.02613%0.131CC..Hα-helixtrans-101.8-19.4-177-68.1175.7000112.8Q177 S178 F209 T212 E231 I235 N715Q177-L180 PolarHBondContact O-N 2.87Å; S178-L180 VanDerWaalsContact C-N 3.28Å; S178-L180 PolarHBondContact O-N 3.45Å; L180-F209 HydrophobicContact CD1-CB 3.31Å; L180-F209 HydrophobicContact CD1-CD1 4.28Å; L180-F209 HydrophobicContact CD1-CD2 3.85Å; L180-F209 HydrophobicContact CD1-CG 3.58Å; L180-T212 HydrophobicContact CD1-CG2 4.04Å; L180-E231 HydrophobicContact CD1-CB 4.33Å; L180-E231 HydrophobicContact CD2-CB 4.43Å; L180-I235 HydrophobicContact CD2-CD1 3.59Å; L180-N715 WeakPolarHBondContact O-CB 3.35Å
181T76.5Confident84.2Confident15 Ų1523.5 Ų23.59%0.09213%0.131CC..Hα-helixtrans-122.2-13-170.263.30000114.1Q177 S178 E183 Q202Q177-T181 HydrophobicContact CB-CG2 4.23Å; Q177-T181 PolarHBondContact O-N 3.24Å; Q177-T181 PolarHBondContact O-OG1 3.09Å; S178-T181 PolarHBondContact O-N 3.45Å; T181-E183 PolarHBondContact O-N 2.9Å; T181-E183 PolarHBondContact OG1-N 2.81Å; T181-Q202 HydrophobicContact CG2-CG 3.83Å
182G70.1Confident84.5Confident6 Ų627.2 Ų27.26%0.06215%0.15CC..SBendtrans73.3-12.6-169.500000114.4S178S178-G182 VanDerWaalsContact O-CA 3.29Å; S178-G182 WeakPolarHBondContact O-CA 3.48Å; S178-G182 PolarHBondContact O-N 3.44Å
183E73.8Confident84.7Confident42 Ų4228.8 Ų28.820%0.19616%0.164CC..  trans-87.4120-172.6-66.8-62.414000111.9S178 T181 V185 T353S178-E183 WeakPolarHBondContact CA-O 3.43Å; S178-E183 WeakPolarHBondContact CB-O 3.3Å; S178-E183 PolarHBondContact N-O 3.34Å; T181-E183 PolarHBondContact O-N 2.9Å; T181-E183 PolarHBondContact OG1-N 2.81Å; E183-V185 VanDerWaalsContact C-N 3.26Å; E183-V185 PolarHBondContact O-N 3.49Å; E183-T353 PolarHBondContact OE1-OG1 2.46Å; E183-T353 VanDerWaalsContact OE1-OG1 3.11Å
184S71.1Confident84.5Confident25 Ų2530 Ų3018%0.17517%0.171CC..  trans-81.50.1-177.869.10000114.5N359 K436S184-N359 PolarHBondContact OG-OD1 3.11Å; S184-K436 PolarHBondContact O-NZ 3.1Å
185V76.4Confident84.3Confident30 Ų3033.9 Ų33.918%0.18220%0.201CC..SBendtrans-89.2130.2176.9179.60000109E183 V187 A440E183-V185 VanDerWaalsContact C-N 3.26Å; E183-V185 PolarHBondContact O-N 3.49Å; V185-V187 PolarHBondContact O-N 3.21Å; V185-A440 HydrophobicContact CG2-CB 4.41Å
186S85.6Confident83.8Confident16 Ų1635.9 Ų35.911%0.11221%0.212CC..PPolyproline II helixtrans-65.9140.3179.681.50000111.3R174 V175 E439R174-S186 WeakPolarHBondContact CD-OG 3.31Å; V175-S186 WeakPolarHBondContact O-CA 3.29Å; S186-E439 WeakPolarHBondContact CB-OE1 3.28Å; S186-E439 PolarHBondContact OG-OE1 3.2Å; S186-E439 PolarHBondContact OG-OE2 3Å
187V86.5Confident83.4Confident41 Ų4137.9 Ų37.925%0.24823%0.227CC..EExtended strand (participates in β ladder)trans-100.7134.4-179.9-1770000109.2R174 V175 Q177 V185R174-V187 WeakPolarHBondContact CA-O 3.32Å; V175-V187 PolarHBondContact N-O 3.27Å; V175-V187 PolarHBondContact O-N 3.05Å; Q177-V187 VanDerWaalsContact NE2-CB 3.27Å; V185-V187 PolarHBondContact O-N 3.21Å
188I88.2Confident83Confident35 Ų3546 Ų4618%0.17926%0.258CS..EExtended strand (participates in β ladder)trans-83.1130.1177-43.1-179.1000109.9T172 L173 R174 F190 F487 R489T172-I188 HydrophobicContact CG2-CG2 4.4Å; L173-I188 WeakPolarHBondContact O-CA 3.42Å; R174-I188 HydrophobicContact CG-CG1 4.43Å; I188-F190 VanDerWaalsContact O-CE2 3.29Å; I188-F190 WeakPolarHBondContact O-CE2 3.5Å; I188-F487 HydrophobicContact CD1-CD1 3.71Å; I188-F487 HydrophobicContact CD1-CE1 3.21Å; I188-F487 HydrophobicContact CD1-CZ 4.09Å; I188-R489 HydrophobicContact CB-CG 4.46Å; I188-R489 HydrophobicContact CD1-CG 4.24Å; I188-R489 VanDerWaalsContact CG2-CD 3.45Å; I188-R489 HydrophobicContact CG2-CG 3.68Å
189K91Very high83Confident1 Ų144.8 Ų44.80%0.00425%0.25CC..PPolyproline II helixtrans-103.9153.1-175.8-65.1-70.7-176.3173.60113.5I165 I168 L173 V175 Q177 K204 K205 I207 L208 R489I165-K189 HydrophobicContact CD1-CB 3.52Å; I165-K189 HydrophobicContact CD1-CD 4.32Å; I165-K189 HydrophobicContact CD1-CG 4.05Å; I168-K189 WeakPolarHBondContact CD1-O 3.21Å; L173-K189 HydrophobicContact CB-CB 4.38Å; L173-K189 HydrophobicContact CD2-CB 3.99Å; L173-K189 HydrophobicContact CD2-CG 4.36Å; L173-K189 HydrophobicContact CG-CB 4.45Å; L173-K189 PolarHBondContact O-N 2.79Å; V175-K189 HydrophobicContact CB-CG 4.36Å; V175-K189 HydrophobicContact CG2-CG 3.59Å; Q177-K189 VanDerWaalsContact CD-NZ 3.27Å; K189-K204 PolarHBondContact NZ-O 3.25Å; K189-K205 CarbonylContact C-O 3.58Å; K189-K205 WeakPolarHBondContact CA-O 3.4Å; K189-K205 WeakPolarHBondContact CB-O 3.48Å; K189-K205 WeakPolarHBondContact CD-O 3.34Å; K189-I207 WeakPolarHBondContact CD-O 3.35Å; K189-I207 WeakPolarHBondContact CE-O 3.45Å; K189-I207 PolarHBondContact NZ-O 2.93Å; K189-L208 HydrophobicContact CD-CD2 4.42Å; K189-L208 HydrophobicContact CG-CD2 4.05Å; K189-R489 PolarHBondContact O-NH1 3.41Å
190F89.5Confident82.9Confident63 Ų6345.9 Ų45.928%0.27626%0.256SS..  trans-128.1166.6-172.6-58.1-107.1000111.4I188 K205 N206 R489I188-F190 VanDerWaalsContact O-CE2 3.29Å; I188-F190 WeakPolarHBondContact O-CE2 3.5Å; F190-K205 HydrophobicContact CD2-CB 3.62Å; F190-K205 HydrophobicContact CD2-CD 3.91Å; F190-K205 HydrophobicContact CD2-CG 4.42Å; F190-K205 HydrophobicContact CE2-CB 4.21Å; F190-K205 HydrophobicContact CE2-CD 3.65Å; F190-K205 PolarHBondContact N-O 3.3Å; F190-N206 WeakPolarHBondContact O-CA 3.41Å; F190-N206 VanDerWaalsContact O-CB 3.26Å; F190-N206 WeakPolarHBondContact O-CB 3.15Å; F190-R489 VanDerWaalsContact CA-NH1 3.29Å; F190-R489 HydrophobicContact CE1-CB 4.43Å; F190-R489 HydrophobicContact CE1-CG 4.4Å; F190-R489 HydrophobicContact CZ-CG 4.26Å
191T92.5Very high83.1Confident44 Ų4445.8 Ų45.827%0.2726%0.256SS..SBendtrans-101.8-18.217545.20000113R164 I165 I166 I168R164-T191 VanDerWaalsContact CZ-O 3.24Å; R164-T191 PolarHBondContact NH1-O 3.46Å; R164-T191 PolarHBondContact NH2-O 3.2Å; I165-T191 HydrophobicContact CG2-CG2 3.89Å; I166-T191 WeakPolarHBondContact O-CG2 3.46Å; I168-T191 HydrophobicContact CD1-CG2 4.47Å; I168-T191 HydrophobicContact CG1-CG2 4.21Å
192D89.1Confident83.2Confident115 Ų11546.4 Ų46.462%0.61526%0.258SS*.SBendtrans-66.4150.9-177-56.6-43.2000111.8N206D192-N206 WeakPolarHBondContact O-CB 3.49Å; D192-N206 PolarHBondContact O-ND2 2.94Å
193A89.9Confident83.9Confident39 Ų3949.6 Ų49.632%0.32227%0.273SS..  trans-67.3141.5175.200000110.5P195A193-P195 WeakPolarHBondContact O-CD 3.27Å
194V89.3Confident84.6Confident24 Ų2448.8 Ų48.815%0.14527%0.269CS..  trans-94.4108.4174.7177.20000107.8F5 S6 D196 A199F5-V194 HydrophobicContact CD2-CB 4.27Å; F5-V194 PolarHBondContact O-N 2.74Å; S6-V194 WeakPolarHBondContact CA-O 3.42Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 2.76Å; V194-A199 HydrophobicContact CG1-CB 3.8Å
195P85.3Confident85.5Confident119 Ų11951.9 Ų51.977%0.77328%0.28SS*.  trans-70.2-23-165.925.5-33.9000114A193 P197A193-P195 WeakPolarHBondContact O-CD 3.27Å; P195-P197 WeakPolarHBondContact O-CD 3.44Å
196D82.6Confident86.3Confident43 Ų4350.4 Ų50.423%0.2327%0.271CS..  trans-76.3110.5179.7-169.5-16.4000110.1F5 V194 R198 A199 R665F5-D196 VanDerWaalsContact CE2-O 3.3Å; F5-D196 WeakPolarHBondContact CE2-O 3.39Å; V194-D196 VanDerWaalsContact C-N 3.29Å; V194-D196 PolarHBondContact O-N 2.76Å; D196-R198 PolarHBondContact O-N 3.37Å; D196-R198 VanDerWaalsContact O-N 3.17Å; D196-R198 PolarHBondContact OD1-N 3.47Å; D196-A199 HydrophobicContact CB-CB 4.44Å; D196-A199 VanDerWaalsContact O-CB 3.26Å; D196-A199 WeakPolarHBondContact O-CB 3.32Å; D196-A199 PolarHBondContact O-N 2.65Å; D196-A199 VanDerWaalsContact O-N 3.08Å; D196-R665 IonicContact OD2-CZ 2.83Å; D196-R665 IonicContact OD2-NH1 3.95Å; D196-R665 PolarHBondContact OD2-NH1 2.95Å; D196-R665 IonicContact OD2-NH2 3.81Å; D196-R665 PolarHBondContact OD2-NH2 2.82Å
197P80.9Confident86.8Confident88 Ų8850 Ų5057%0.57127%0.268SS*.THydrogen-bonded Turntrans-68.3-11.6179.729.9-35.6000113.3F5 P195F5-P197 WeakPolarHBondContact CZ-O 3.39Å; P195-P197 WeakPolarHBondContact O-CD 3.44Å
198R79.6Confident87.2Confident174 Ų17448.1 Ų48.166%0.65726%0.256SS*.THydrogen-bonded Turntrans-10624.2174.4-60.3-174.1-63.3172.2-1.7111.8D196 V200D196-R198 PolarHBondContact O-N 3.37Å; D196-R198 VanDerWaalsContact O-N 3.17Å; D196-R198 PolarHBondContact OD1-N 3.47Å; R198-V200 PolarHBondContact O-N 3.14Å
199A81.2Confident87.6Confident8 Ų846.5 Ų46.57%0.06625%0.248CC..  trans-57.8127.4176.200000110.9F5 V194 D196 D203 K204F5-A199 HydrophobicContact CD2-CB 4.19Å; F5-A199 HydrophobicContact CE2-CB 3.96Å; V194-A199 HydrophobicContact CG1-CB 3.8Å; D196-A199 HydrophobicContact CB-CB 4.44Å; D196-A199 VanDerWaalsContact O-CB 3.26Å; D196-A199 WeakPolarHBondContact O-CB 3.32Å; D196-A199 PolarHBondContact O-N 2.65Å; D196-A199 VanDerWaalsContact O-N 3.08Å; A199-D203 HydrophobicContact CB-CB 4.04Å; A199-K204 HydrophobicContact CB-CG 4.26Å; A199-K204 WeakPolarHBondContact O-CE 3.44Å
200V81.2Confident87.8Confident30 Ų3046.8 Ų46.818%0.18225%0.249CC..  trans-63.7158.6169.6-73.20000110.4R198 Q202 D203 K204 E689R198-V200 PolarHBondContact O-N 3.14Å; V200-Q202 HydrophobicContact CG2-CB 4.39Å; V200-Q202 PolarHBondContact O-N 3.08Å; V200-Q202 VanDerWaalsContact O-N 3.15Å; V200-D203 HydrophobicContact CG2-CB 3.87Å; V200-D203 VanDerWaalsContact CG2-CG 3.48Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.36Å; V200-D203 WeakPolarHBondContact O-CA 3.39Å; V200-D203 WeakPolarHBondContact O-CB 3.19Å; V200-D203 PolarHBondContact O-N 3.43Å; V200-K204 PolarHBondContact O-N 3.43Å; V200-K204 VanDerWaalsContact O-N 3.15Å; V200-E689 WeakPolarHBondContact CA-OE1 3.19Å; V200-E689 HydrophobicContact CB-CG 4.13Å; V200-E689 WeakPolarHBondContact CB-OE1 3.37Å; V200-E689 HydrophobicContact CG1-CG 3.75Å
201N84.5Confident87.8Confident3 Ų343.8 Ų43.82%0.01624%0.236CC..THydrogen-bonded Turntrans-58.9-32.1-176.5-77.6-34000112.3D203 K204 F209 E231 E689N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 2.8Å; N201-K204 PolarHBondContact O-N 2.95Å; N201-K204 WeakPolarHBondContact OD1-CE 3.31Å; N201-K204 PolarHBondContact OD1-NZ 2.81Å; N201-F209 HydrophobicContact CB-CE2 4.36Å; N201-F209 HydrophobicContact CB-CZ 3.99Å; N201-E231 PolarHBondContact ND2-OE2 3.39Å; N201-E231 PolarHBondContact OD1-OE2 3.02Å; N201-E689 PolarHBondContact N-OE1 3.44Å; N201-E689 PolarHBondContact ND2-OE2 3.32Å
202Q80Confident87.9Confident29 Ų2941.7 Ų41.714%0.13622%0.224CC..THydrogen-bonded Turntrans-62.5-32.4172.7-62.7177.4-2.900113.3T181 V200 G635T181-Q202 HydrophobicContact CG2-CG 3.83Å; V200-Q202 HydrophobicContact CG2-CB 4.39Å; V200-Q202 PolarHBondContact O-N 3.08Å; V200-Q202 VanDerWaalsContact O-N 3.15Å; Q202-G635 PolarHBondContact NE2-O 2.96Å; Q202-G635 PolarHBondContact OE1-O 2.87Å
203D83Confident88Confident72 Ų7238.8 Ų38.839%0.38521%0.208SC..THydrogen-bonded Turntrans-88.5-18.3-177.9-73.2-19.2000113A199 V200 N201 K205A199-D203 HydrophobicContact CB-CB 4.04Å; V200-D203 HydrophobicContact CG2-CB 3.87Å; V200-D203 VanDerWaalsContact CG2-CG 3.48Å; V200-D203 WeakPolarHBondContact CG2-OD2 3.36Å; V200-D203 WeakPolarHBondContact O-CA 3.39Å; V200-D203 WeakPolarHBondContact O-CB 3.19Å; V200-D203 PolarHBondContact O-N 3.43Å; N201-D203 VanDerWaalsContact C-N 3.29Å; N201-D203 PolarHBondContact O-N 2.8Å; D203-K205 WeakPolarHBondContact O-CG 3.46Å; D203-K205 PolarHBondContact O-N 3.33Å
204K89.5Confident88.2Confident25 Ų2537 Ų3711%0.10919%0.193CC..  trans-71.762.3173.9-63.6176.7-166.11640111F5 K189 A199 V200 N201 N206 I207 F209 E231F5-K204 HydrophobicContact CB-CB 4.33Å; F5-K204 HydrophobicContact CB-CD 4.4Å; F5-K204 HydrophobicContact CB-CG 4.01Å; F5-K204 HydrophobicContact CD1-CD 3.88Å; F5-K204 HydrophobicContact CD1-CG 4.18Å; F5-K204 HydrophobicContact CD2-CG 4.24Å; F5-K204 HydrophobicContact CE1-CD 4.35Å; F5-K204 HydrophobicContact CG-CD 4.11Å; F5-K204 HydrophobicContact CG-CG 3.88Å; K189-K204 PolarHBondContact NZ-O 3.25Å; A199-K204 HydrophobicContact CB-CG 4.26Å; A199-K204 WeakPolarHBondContact O-CE 3.44Å; V200-K204 PolarHBondContact O-N 3.43Å; V200-K204 VanDerWaalsContact O-N 3.15Å; N201-K204 PolarHBondContact O-N 2.95Å; N201-K204 WeakPolarHBondContact OD1-CE 3.31Å; N201-K204 PolarHBondContact OD1-NZ 2.81Å; K204-N206 PolarHBondContact O-N 3.31Å; K204-I207 HydrophobicContact CB-CB 4.26Å; K204-I207 HydrophobicContact CB-CG1 4.16Å; K204-I207 PolarHBondContact O-N 3.32Å; K204-F209 HydrophobicContact CB-CZ 3.93Å; K204-F209 HydrophobicContact CD-CE1 4.2Å; K204-F209 HydrophobicContact CD-CZ 3.95Å; K204-E231 IonicContact NZ-OE1 2.8Å
205K89.3Confident88.2Confident90 Ų9038.1 Ų38.139%0.39120%0.204SC..THydrogen-bonded Turntrans-70.3-3.3-175.5-52.3-170.5-177.4174.40113.6K189 F190 D203K189-K205 CarbonylContact C-O 3.58Å; K189-K205 WeakPolarHBondContact CA-O 3.4Å; K189-K205 WeakPolarHBondContact CB-O 3.48Å; K189-K205 WeakPolarHBondContact CD-O 3.34Å; F190-K205 HydrophobicContact CD2-CB 3.62Å; F190-K205 HydrophobicContact CD2-CD 3.91Å; F190-K205 HydrophobicContact CD2-CG 4.42Å; F190-K205 HydrophobicContact CE2-CB 4.21Å; F190-K205 HydrophobicContact CE2-CD 3.65Å; F190-K205 PolarHBondContact N-O 3.3Å; D203-K205 WeakPolarHBondContact O-CG 3.46Å; D203-K205 PolarHBondContact O-N 3.33Å
206N93.9Very high88.5Confident0 Ų034 Ų340%018%0.181CC..THydrogen-bonded Turntrans-109.14.7177.765.8-5.4000114.5F5 R164 I165 F190 D192 K204F5-N206 WeakPolarHBondContact CA-OD1 3.22Å; F5-N206 WeakPolarHBondContact CB-OD1 3.5Å; F5-N206 PolarHBondContact O-ND2 3.03Å; R164-N206 VanDerWaalsContact CZ-ND2 3.26Å; R164-N206 PolarHBondContact NE-ND2 3.2Å; R164-N206 PolarHBondContact NH2-ND2 2.89Å; I165-N206 WeakPolarHBondContact CG1-O 3.48Å; I165-N206 PolarHBondContact N-O 3.14Å; F190-N206 WeakPolarHBondContact O-CA 3.41Å; F190-N206 VanDerWaalsContact O-CB 3.26Å; F190-N206 WeakPolarHBondContact O-CB 3.15Å; D192-N206 WeakPolarHBondContact O-CB 3.49Å; D192-N206 PolarHBondContact O-ND2 2.94Å; K204-N206 PolarHBondContact O-N 3.31Å
207I95.4Very high88.9Confident8 Ų833 Ų334%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-107.5142.4174.3-60.1-58.1000109.7F5 M163 R164 K189 K204 F209F5-I207 HydrophobicContact CB-CD1 4.07Å; F5-I207 HydrophobicContact CB-CG1 3.67Å; M163-I207 CarbonylContact O-C 3.5Å; M163-I207 WeakPolarHBondContact O-CA 3.37Å; R164-I207 HydrophobicContact CB-CD1 4.04Å; K189-I207 WeakPolarHBondContact CD-O 3.35Å; K189-I207 WeakPolarHBondContact CE-O 3.45Å; K189-I207 PolarHBondContact NZ-O 2.93Å; K204-I207 HydrophobicContact CB-CB 4.26Å; K204-I207 HydrophobicContact CB-CG1 4.16Å; K204-I207 PolarHBondContact O-N 3.32Å; I207-F209 HydrophobicContact CB-CE1 4.19Å; I207-F209 HydrophobicContact CB-CZ 4.15Å; I207-F209 HydrophobicContact CG2-CD1 3.66Å; I207-F209 HydrophobicContact CG2-CE1 3.5Å; I207-F209 VanDerWaalsContact CG2-CE1 3.5Å; I207-F209 HydrophobicContact CG2-CE2 4.44Å; I207-F209 HydrophobicContact CG2-CG 4.22Å; I207-F209 HydrophobicContact CG2-CZ 3.93Å
208L96.3Very high89.6Confident0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-104.8134.7160.4-54.6175.1000107.7V153 V159 D162 M163 I165 L173 V175 K189 I214V153-L208 HydrophobicContact CG2-CD1 3.59Å; V159-L208 HydrophobicContact CG1-CB 3.87Å; V159-L208 HydrophobicContact CG2-CB 4.11Å; D162-L208 CarbonylContact C-O 3.54Å; D162-L208 WeakPolarHBondContact CA-O 3.28Å; M163-L208 HydrophobicContact CE-CD1 4.26Å; M163-L208 HydrophobicContact CG-CB 3.62Å; M163-L208 HydrophobicContact CG-CD1 4.02Å; M163-L208 HydrophobicContact CG-CG 4.2Å; M163-L208 PolarHBondContact N-O 3.42Å; M163-L208 PolarHBondContact O-N 3.5Å; M163-L208 HydrophobicContact SD-CB 4.3Å; M163-L208 HydrophobicContact SD-CD1 3.87Å; I165-L208 HydrophobicContact CD1-CD2 3.9Å; I165-L208 HydrophobicContact CD1-CG 3.95Å; I165-L208 HydrophobicContact CG1-CD1 4.13Å; I165-L208 HydrophobicContact CG1-CD2 4.27Å; I165-L208 HydrophobicContact CG1-CG 3.75Å; L173-L208 HydrophobicContact CD2-CD1 4.37Å; L173-L208 HydrophobicContact CD2-CD2 3.92Å; V175-L208 HydrophobicContact CG1-CD2 4.46Å; V175-L208 HydrophobicContact CG2-CD2 3.51Å; K189-L208 HydrophobicContact CD-CD2 4.42Å; K189-L208 HydrophobicContact CG-CD2 4.05Å; L208-I214 HydrophobicContact CD1-CD1 4.41Å; L208-I214 HydrophobicContact CD2-CD1 4.36Å
209F95.3Very high90.3Very high2 Ų224.1 Ų24.11%0.00914%0.137CC..  trans-104.7143.7-175.4-56.9-77.1000110.9V159 D162 Q177 L180 N201 K204 I207 T212 E231V159-F209 VanDerWaalsContact CB-O 3.24Å; V159-F209 WeakPolarHBondContact CB-O 3.35Å; V159-F209 VanDerWaalsContact CG1-O 3.25Å; V159-F209 WeakPolarHBondContact CG1-O 3.33Å; D162-F209 VanDerWaalsContact OD1-CA 3.29Å; D162-F209 WeakPolarHBondContact OD1-CA 3.44Å; Q177-F209 VanDerWaalsContact OE1-CE2 3.32Å; L180-F209 HydrophobicContact CD1-CB 3.31Å; L180-F209 HydrophobicContact CD1-CD1 4.28Å; L180-F209 HydrophobicContact CD1-CD2 3.85Å; L180-F209 HydrophobicContact CD1-CG 3.58Å; N201-F209 HydrophobicContact CB-CE2 4.36Å; N201-F209 HydrophobicContact CB-CZ 3.99Å; K204-F209 HydrophobicContact CB-CZ 3.93Å; K204-F209 HydrophobicContact CD-CE1 4.2Å; K204-F209 HydrophobicContact CD-CZ 3.95Å; I207-F209 HydrophobicContact CB-CE1 4.19Å; I207-F209 HydrophobicContact CB-CZ 4.15Å; I207-F209 HydrophobicContact CG2-CD1 3.66Å; I207-F209 HydrophobicContact CG2-CE1 3.5Å; I207-F209 VanDerWaalsContact CG2-CE1 3.5Å; I207-F209 HydrophobicContact CG2-CE2 4.44Å; I207-F209 HydrophobicContact CG2-CG 4.22Å; I207-F209 HydrophobicContact CG2-CZ 3.93Å; F209-T212 HydrophobicContact CB-CG2 3.93Å; F209-T212 WeakPolarHBondContact O-CB 3.47Å; F209-T212 WeakPolarHBondContact O-CG2 3.15Å; F209-T212 PolarHBondContact O-N 3.09Å; F209-T212 PolarHBondContact O-OG1 2.85Å; F209-E231 HydrophobicContact CD1-CB 4.15Å; F209-E231 HydrophobicContact CD1-CG 3.55Å; F209-E231 HydrophobicContact CE1-CG 3.64Å
210S94.8Very high91Very high6 Ų625.4 Ų25.44%0.04214%0.141CC..THydrogen-bonded Turntrans-54138.8176.9-1670000111.8V159 P160 D162 T212V159-S210 WeakPolarHBondContact O-CA 3.37Å; P160-S210 PolarHBondContact O-OG 3.3Å; D162-S210 PolarHBondContact OD1-N 2.85Å; S210-T212 PolarHBondContact O-N 3.07Å
211G91Very high91.7Very high0 Ų024 Ų240%013%0.132CC..THydrogen-bonded Turntrans81.3-12.6-178.700000115.4V159 I179V159-G211 PolarHBondContact O-N 3.18Å; I179-G211 WeakPolarHBondContact CD1-O 3.27Å
212T92.9Very high92.3Very high1 Ų123.9 Ų23.91%0.00613%0.132CC..  trans-75.3158.917665.50000111.5K158 V159 D176 Q177 I179 L180 F209 S210K158-T212 CarbonylContact C-O 3.41Å; K158-T212 WeakPolarHBondContact CA-O 3.31Å; V159-T212 WeakPolarHBondContact CG2-O 3.29Å; V159-T212 WeakPolarHBondContact CG2-OG1 3.25Å; V159-T212 PolarHBondContact N-O 3.11Å; D176-T212 WeakPolarHBondContact O-CB 3.44Å; Q177-T212 HydrophobicContact CB-CG2 4.45Å; Q177-T212 HydrophobicContact CG-CG2 3.94Å; I179-T212 HydrophobicContact CD1-CG2 3.92Å; I179-T212 HydrophobicContact CG1-CG2 3.9Å; L180-T212 HydrophobicContact CD1-CG2 4.04Å; F209-T212 HydrophobicContact CB-CG2 3.93Å; F209-T212 WeakPolarHBondContact O-CB 3.47Å; F209-T212 WeakPolarHBondContact O-CG2 3.15Å; F209-T212 PolarHBondContact O-N 3.09Å; F209-T212 PolarHBondContact O-OG1 2.85Å; S210-T212 PolarHBondContact O-N 3.07Å
213N92.4Very high93.2Very high53 Ų5322.5 Ų22.528%0.28313%0.125SC..EExtended strand (participates in β ladder)trans-112.4140.2-175.6-65.6-44.9000111.8K158 V175 D176 A215K158-N213 WeakPolarHBondContact CG-OD1 3.41Å; V175-N213 CarbonylContact C-O 3.38Å; V175-N213 WeakPolarHBondContact CA-O 3.49Å; V175-N213 WeakPolarHBondContact CG1-O 3.47Å; D176-N213 HydrophobicContact CB-CB 4.37Å; D176-N213 PolarHBondContact N-O 3.33Å; D176-N213 PolarHBondContact O-N 3.16Å; N213-A215 PolarHBondContact O-N 3.12Å
214I93.9Very high93.8Very high3 Ų319.5 Ų19.52%0.01511%0.109CC..EExtended strand (participates in β ladder)trans-79.5108.3172-51.8-53.8000109.4V153 S154 G156 D157 V159 L173 V175 L208V153-I214 HydrophobicContact CB-CD1 4.28Å; V153-I214 HydrophobicContact CB-CG1 3.91Å; V153-I214 HydrophobicContact CG2-CD1 3.91Å; V153-I214 HydrophobicContact CG2-CG1 4.01Å; S154-I214 WeakPolarHBondContact O-CB 3.48Å; G156-I214 PolarHBondContact N-O 3.31Å; D157-I214 PolarHBondContact O-N 3.07Å; V159-I214 HydrophobicContact CG2-CD1 3.78Å; V159-I214 HydrophobicContact CG2-CG1 4.42Å; L173-I214 HydrophobicContact CD1-CG2 3.87Å; V175-I214 HydrophobicContact CG1-CD1 4.34Å; V175-I214 HydrophobicContact CG2-CD1 3.92Å; L208-I214 HydrophobicContact CD1-CD1 4.41Å; L208-I214 HydrophobicContact CD2-CD1 4.36Å
215A89.7Confident94.1Very high46 Ų4618.8 Ų18.838%0.3811%0.107SC..EExtended strand (participates in β ladder)trans-74.8-37.6178.500000112.1V155 R174 N213V155-A215 WeakPolarHBondContact CG2-O 3.38Å; R174-A215 HydrophobicContact CB-CB 4.25Å; R174-A215 PolarHBondContact O-N 2.84Å; N213-A215 PolarHBondContact O-N 3.12Å
216A90.2Very high94.4Very high34 Ų3414.9 Ų14.928%0.2819%0.091SC..EExtended strand (participates in β ladder)trans-156.7151.217500000111.9R174R174-A216 HydrophobicContact CB-CB 4.04Å; R174-A216 HydrophobicContact CG-CB 4.3Å; R174-A216 PolarHBondContact N-O 3.5Å; R174-A216 PolarHBondContact O-N 3.42Å; R174-A216 VanDerWaalsContact O-N 3.13Å
217G92Very high94.2Very high21 Ų2115.1 Ų15.122%0.2169%0.093CC..  trans93.4-171.7173.700000114.6S154 V155 S170S154-G217 CarbonylContact C-O 3.52Å; V155-G217 PolarHBondContact N-O 2.95Å; S170-G217 WeakPolarHBondContact OG-CA 3.34Å
218K95Very high94Very high75 Ų7517.6 Ų17.633%0.32611%0.107SC..EExtended strand (participates in β ladder)trans-145.4135.6-177.2-176175.4-179.4173.90110E152 V153 M169 S170E152-K218 WeakPolarHBondContact OE1-CE 3.47Å; E152-K218 IonicContact OE1-NZ 2.78Å; E152-K218 PolarHBondContact OE1-NZ 3.08Å; E152-K218 WeakPolarHBondContact OE2-CE 3.21Å; E152-K218 IonicContact OE2-NZ 3.39Å; V153-K218 WeakPolarHBondContact O-CA 3.12Å; M169-K218 HydrophobicContact CB-CB 4.36Å; M169-K218 HydrophobicContact CB-CG 4.29Å; M169-K218 PolarHBondContact N-O 3.18Å; M169-K218 HydrophobicContact SD-CD 4.16Å; M169-K218 HydrophobicContact SD-CG 4.26Å; S170-K218 PolarHBondContact N-O 3.4Å; S170-K218 PolarHBondContact OG-N 2.79Å; S170-K218 PolarHBondContact OG-O 3.08Å
219A95.9Very high93.8Very high0 Ų023.2 Ų23.20%013%0.134CC..EExtended strand (participates in β ladder)trans-148.5157.7179.700000112.8E152 V153 I165 K167 I168 L173E152-A219 WeakPolarHBondContact CA-O 3.43Å; V153-A219 HydrophobicContact CG2-CB 4.46Å; V153-A219 PolarHBondContact N-O 3Å; V153-A219 PolarHBondContact O-N 3.27Å; I165-A219 HydrophobicContact CG2-CB 4.41Å; K167-A219 WeakPolarHBondContact O-CA 3.35Å; I168-A219 HydrophobicContact CG1-CB 4.45Å; L173-A219 HydrophobicContact CD1-CB 3.91Å; L173-A219 HydrophobicContact CD2-CB 3.52Å; L173-A219 HydrophobicContact CG-CB 4.26Å
220R95.6Very high93.7Very high36 Ų3623.2 Ų23.214%0.13613%0.134CC..EExtended strand (participates in β ladder)trans-111143.1168.1-68.5-175.3-172.5170-1110E21 V151 E152 I166 K167 M169E21-R220 IonicContact OE1-NH1 2.69Å; E21-R220 IonicContact OE2-CZ 3.11Å; E21-R220 IonicContact OE2-NH1 2.82Å; E21-R220 PolarHBondContact OE2-NH1 2.99Å; V151-R220 WeakPolarHBondContact O-CA 3.3Å; E152-R220 HydrophobicContact CB-CG 4.18Å; E152-R220 HydrophobicContact CG-CG 4.14Å; E152-R220 IonicContact OE2-CZ 3.22Å; E152-R220 IonicContact OE2-NE 3.58Å; E152-R220 PolarHBondContact OE2-NE 3.22Å; E152-R220 VanDerWaalsContact OE2-NE 3.1Å; E152-R220 IonicContact OE2-NH2 3.66Å; I166-R220 PolarHBondContact N-O 3.1Å; K167-R220 PolarHBondContact N-O 3.26Å; K167-R220 VanDerWaalsContact N-O 3.16Å; K167-R220 PolarHBondContact O-N 2.98Å; M169-R220 HydrophobicContact SD-CG 4.22Å
221G96Very high93.5Very high0 Ų024.3 Ų24.30%014%0.139CC..EExtended strand (participates in β ladder)trans-151.4166.1174.300000112.5V151 R164V151-G221 PolarHBondContact N-O 2.79Å; V151-G221 PolarHBondContact O-N 2.57Å; R164-G221 CarbonylContact O-C 3.5Å; R164-G221 WeakPolarHBondContact O-CA 3.32Å
222I97.1Very high93.4Very high1 Ų124.5 Ų24.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-101.2132.4177.4-179.8161.3000109.8V12 L13 F16 D149 I150 M163 R164 I166 V224V12-I222 HydrophobicContact CG1-CG2 3.61Å; L13-I222 HydrophobicContact CD2-CD1 4.06Å; F16-I222 HydrophobicContact CB-CD1 3.94Å; F16-I222 HydrophobicContact CD2-CD1 3.84Å; F16-I222 HydrophobicContact CD2-CG1 4.32Å; F16-I222 HydrophobicContact CG-CD1 4.23Å; D149-I222 CarbonylContact O-C 3.58Å; D149-I222 WeakPolarHBondContact O-CA 3.3Å; I150-I222 HydrophobicContact CD1-CB 3.84Å; I150-I222 HydrophobicContact CD1-CD1 4.12Å; I150-I222 HydrophobicContact CD1-CG1 4.09Å; M163-I222 CarbonylContact C-O 3.35Å; M163-I222 WeakPolarHBondContact CA-O 3.33Å; M163-I222 VanDerWaalsContact CB-O 3.3Å; M163-I222 WeakPolarHBondContact CB-O 3.35Å; R164-I222 HydrophobicContact CB-CG2 3.9Å; R164-I222 HydrophobicContact CG-CG2 4.48Å; R164-I222 PolarHBondContact N-O 3.31Å; R164-I222 PolarHBondContact O-N 3.23Å; I166-I222 HydrophobicContact CD1-CB 3.81Å; I166-I222 HydrophobicContact CD1-CG2 4.05Å; I166-I222 HydrophobicContact CG1-CB 4.41Å; I166-I222 HydrophobicContact CG1-CG2 4.11Å; I222-V224 PolarHBondContact O-N 3.33Å
223V97.1Very high93.2Very high0 Ų024.4 Ų24.40%014%0.139CC..EExtended strand (participates in β ladder)trans-66.5126.2176.81800000109.5L145 G148 D149 V151 A161 T226L145-V223 HydrophobicContact CD2-CG2 4.42Å; G148-V223 PolarHBondContact N-O 3.26Å; D149-V223 HydrophobicContact CB-CG2 4.11Å; D149-V223 PolarHBondContact O-N 3.39Å; V151-V223 HydrophobicContact CB-CG2 4.49Å; V151-V223 HydrophobicContact CG2-CG2 3.5Å; V151-V223 VanDerWaalsContact CG2-CG2 3.5Å; A161-V223 HydrophobicContact CB-CG1 3.76Å; A161-V223 HydrophobicContact CB-CG2 4.31Å; V223-T226 HydrophobicContact CG1-CG2 3.53Å
224V96.5Very high93.1Very high9 Ų924.9 Ų24.96%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-108.7-28.4-178.3-63.40000113.1M1 A4 V12 F16 D162 R164 I222M1-V224 PolarHBondContact N-O 2.75Å; A4-V224 HydrophobicContact CB-CB 4.06Å; A4-V224 HydrophobicContact CB-CG1 3.55Å; A4-V224 HydrophobicContact CB-CG2 4.38Å; V12-V224 HydrophobicContact CG1-CG1 4.15Å; F16-V224 HydrophobicContact CE2-CG1 4.33Å; D162-V224 HydrophobicContact CB-CG2 4.17Å; D162-V224 VanDerWaalsContact O-CG2 3.32Å; D162-V224 WeakPolarHBondContact O-CG2 3.38Å; D162-V224 PolarHBondContact O-N 2.99Å; R164-V224 HydrophobicContact CB-CG1 3.76Å; I222-V224 PolarHBondContact O-N 3.33Å
225S95.5Very high92.6Very high10 Ų1025.1 Ų25.17%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-148.2147.1177.4-62.80000110.5D162 M229 T230D162-S225 PolarHBondContact N-O 3.33Å; D162-S225 PolarHBondContact O-N 2.89Å; S225-M229 VanDerWaalsContact CB-O 3.3Å; S225-M229 WeakPolarHBondContact CB-O 3.43Å; S225-M229 PolarHBondContact OG-O 3.25Å; S225-T230 WeakPolarHBondContact O-CG2 3.34Å
226T95.1Very high92.4Very high7 Ų723.1 Ų23.14%0.04312%0.123CC..  trans-133.7158.7-179.651.50000110.7N39 P147 A161 V223 L228 M229N39-T226 HydrophobicContact CB-CG2 3.96Å; N39-T226 VanDerWaalsContact OD1-CA 3.29Å; N39-T226 WeakPolarHBondContact OD1-CA 3.48Å; N39-T226 VanDerWaalsContact OD1-CB 3.26Å; N39-T226 WeakPolarHBondContact OD1-CB 3.45Å; P147-T226 HydrophobicContact CG-CG2 4.17Å; A161-T226 HydrophobicContact CB-CG2 4.18Å; V223-T226 HydrophobicContact CG1-CG2 3.53Å; T226-L228 PolarHBondContact O-N 3.45Å; T226-M229 PolarHBondContact O-N 3.36Å; T226-M229 VanDerWaalsContact O-N 3.12Å
227G91.5Very high92.2Very high5 Ų523.9 Ų23.95%0.05212%0.122CC..G310 helixtrans52.6-129.2176.800000112.8N39 M229 T230N39-G227 PolarHBondContact OD1-N 2.97Å; G227-M229 PolarHBondContact O-N 3.19Å; G227-M229 VanDerWaalsContact O-N 3.11Å; G227-T230 PolarHBondContact O-N 3.43Å; G227-T230 VanDerWaalsContact O-N 3.17Å; G227-T230 PolarHBondContact O-OG1 3.3Å
228L90.3Very high91.6Very high61 Ų6124.9 Ų24.932%0.31912%0.121SC..G310 helixtrans-60-20.4-179.2-66177000114.9L41 P42 T226 T230 G233 N237L41-L228 HydrophobicContact CD2-CD2 4.09Å; P42-L228 HydrophobicContact CG-CD1 4.26Å; P42-L228 HydrophobicContact CG-CD2 4.35Å; P42-L228 HydrophobicContact CG-CG 4.48Å; T226-L228 PolarHBondContact O-N 3.45Å; L228-T230 VanDerWaalsContact C-N 3.32Å; L228-G233 CarbonylContact O-C 3.43Å; L228-N237 WeakPolarHBondContact CD2-OD1 3.31Å
229M92.6Very high90.8Very high118 Ų11821.3 Ų21.358%0.58111%0.105SC*.G310 helixtrans-85.3-5.3-178.2-63.2-66.7-17600113.4S225 T226 G227S225-M229 VanDerWaalsContact CB-O 3.3Å; S225-M229 WeakPolarHBondContact CB-O 3.43Å; S225-M229 PolarHBondContact OG-O 3.25Å; T226-M229 PolarHBondContact O-N 3.36Å; T226-M229 VanDerWaalsContact O-N 3.12Å; G227-M229 PolarHBondContact O-N 3.19Å; G227-M229 VanDerWaalsContact O-N 3.11Å
230T93.2Very high90.1Very high2 Ų225 Ų251%0.01212%0.123CC..SBendtrans-77.5163.6174.260.80000111.3D162 S225 G227 L228 I232 G233 K234D162-T230 HydrophobicContact CB-CG2 4.19Å; D162-T230 WeakPolarHBondContact OD2-CA 3.47Å; S225-T230 WeakPolarHBondContact O-CG2 3.34Å; G227-T230 PolarHBondContact O-N 3.43Å; G227-T230 VanDerWaalsContact O-N 3.17Å; G227-T230 PolarHBondContact O-OG1 3.3Å; L228-T230 VanDerWaalsContact C-N 3.32Å; T230-I232 VanDerWaalsContact C-N 3.3Å; T230-I232 PolarHBondContact O-N 3.42Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.42Å; T230-G233 CarbonylContact O-C 3.53Å; T230-G233 WeakPolarHBondContact O-CA 3.25Å; T230-G233 PolarHBondContact O-N 3.02Å; T230-G233 PolarHBondContact OG1-N 3.1Å; T230-K234 WeakPolarHBondContact O-CG 3.47Å; T230-K234 PolarHBondContact O-N 3.14Å
231E90.3Very high89.3Confident28 Ų2829.4 Ų29.413%0.13115%0.15CC..Hα-helixtrans-59.9-38.6175-64.8-60.5130.400112.3D162 L180 N201 K204 F209 G233 K234 I235D162-E231 PolarHBondContact OD2-N 3.43Å; L180-E231 HydrophobicContact CD1-CB 4.33Å; L180-E231 HydrophobicContact CD2-CB 4.43Å; N201-E231 PolarHBondContact ND2-OE2 3.39Å; N201-E231 PolarHBondContact OD1-OE2 3.02Å; K204-E231 IonicContact NZ-OE1 2.8Å; F209-E231 HydrophobicContact CD1-CB 4.15Å; F209-E231 HydrophobicContact CD1-CG 3.55Å; F209-E231 HydrophobicContact CE1-CG 3.64Å; E231-G233 VanDerWaalsContact C-N 3.34Å; E231-K234 PolarHBondContact O-N 3.32Å; E231-K234 IonicContact OE1-NZ 3.2Å; E231-K234 PolarHBondContact OE1-NZ 2.95Å; E231-I235 WeakPolarHBondContact O-CG1 3.36Å; E231-I235 PolarHBondContact O-N 2.88Å
232I88.9Confident88.2Confident4 Ų430.1 Ų30.12%0.02115%0.154CC..Hα-helixtrans-69.2-32.9172.9-163.9169.8000112.1L119 T230 I235 R236L119-I232 HydrophobicContact CD2-CD1 4.15Å; L119-I232 HydrophobicContact CD2-CG1 4.1Å; T230-I232 VanDerWaalsContact C-N 3.3Å; T230-I232 PolarHBondContact O-N 3.42Å; T230-I232 WeakPolarHBondContact OG1-CG2 3.42Å; I232-I235 WeakPolarHBondContact O-CB 3.42Å; I232-I235 PolarHBondContact O-N 3.45Å; I232-R236 PolarHBondContact O-N 2.84Å
233G89.4Confident86.8Confident0 Ų037.7 Ų37.70%019%0.19CC..Hα-helixtrans-65.4-38.4173.300000113.2L228 T230 E231 R236 N237L228-G233 CarbonylContact O-C 3.43Å; T230-G233 CarbonylContact O-C 3.53Å; T230-G233 WeakPolarHBondContact O-CA 3.25Å; T230-G233 PolarHBondContact O-N 3.02Å; T230-G233 PolarHBondContact OG1-N 3.1Å; E231-G233 VanDerWaalsContact C-N 3.34Å; G233-R236 WeakPolarHBondContact O-CB 2.98Å; G233-R236 PolarHBondContact O-N 3.25Å; G233-N237 PolarHBondContact O-N 3.26Å
234K88.7Confident85.2Confident63 Ų6343 Ų4327%0.27422%0.224SC..Hα-helixtrans-63.7-42173-68.3172.3-173173.80111.7T230 E231 R236 N237 Q238T230-K234 WeakPolarHBondContact O-CG 3.47Å; T230-K234 PolarHBondContact O-N 3.14Å; E231-K234 PolarHBondContact O-N 3.32Å; E231-K234 IonicContact OE1-NZ 3.2Å; E231-K234 PolarHBondContact OE1-NZ 2.95Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.24Å; K234-N237 PolarHBondContact O-N 3.02Å; K234-Q238 WeakPolarHBondContact O-CG 3.4Å; K234-Q238 PolarHBondContact O-N 3.18Å
235I85Confident83.9Confident7 Ų748.2 Ų48.24%0.03625%0.252CS..Hα-helixtrans-58.5-46.4173.4-70.2171.6000110.2L180 E231 I232 Q238 M239 P690 V714 P718L180-I235 HydrophobicContact CD2-CD1 3.59Å; E231-I235 WeakPolarHBondContact O-CG1 3.36Å; E231-I235 PolarHBondContact O-N 2.88Å; I232-I235 WeakPolarHBondContact O-CB 3.42Å; I232-I235 PolarHBondContact O-N 3.45Å; I235-Q238 PolarHBondContact O-N 3.43Å; I235-M239 HydrophobicContact CG2-SD 4.37Å; I235-M239 WeakPolarHBondContact O-CG 3.41Å; I235-M239 PolarHBondContact O-N 2.99Å; I235-P690 HydrophobicContact CD1-CG 4.5Å; I235-V714 HydrophobicContact CD1-CG1 4.35Å; I235-V714 HydrophobicContact CG2-CG1 4.19Å; I235-P718 HydrophobicContact CB-CG 4.41Å; I235-P718 HydrophobicContact CG2-CG 3.76Å
236R84Confident82.9Confident4 Ų453.2 Ų53.22%0.01527%0.272CS..Hα-helixtrans-59.6-48176.4178.8-175.6176.7-82.3-4.6112.3L41 P42 I116 L119 I232 G233 K234 Q238 M239 M240L41-R236 HydrophobicContact CD2-CB 4.3Å; P42-R236 VanDerWaalsContact C-NH2 3.27Å; P42-R236 VanDerWaalsContact CB-NH2 3.31Å; P42-R236 VanDerWaalsContact CD-CZ 3.42Å; P42-R236 PolarHBondContact O-NE 3.44Å; P42-R236 PolarHBondContact O-NH2 3.42Å; I116-R236 HydrophobicContact CG2-CG 4.37Å; L119-R236 HydrophobicContact CD1-CB 4.29Å; I232-R236 PolarHBondContact O-N 2.84Å; G233-R236 WeakPolarHBondContact O-CB 2.98Å; G233-R236 PolarHBondContact O-N 3.25Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.24Å; R236-Q238 VanDerWaalsContact C-N 3.29Å; R236-Q238 PolarHBondContact O-N 2.73Å; R236-M239 WeakPolarHBondContact O-CB 3.4Å; R236-M239 PolarHBondContact O-N 2.93Å; R236-M239 VanDerWaalsContact O-N 3.13Å; R236-M240 PolarHBondContact NH1-SD 3.5Å; R236-M240 PolarHBondContact NH2-SD 3.46Å; R236-M240 VanDerWaalsContact NH2-SD 3.37Å; R236-M240 PolarHBondContact O-N 2.9Å
237N85.7Confident81.9Confident51 Ų5153.7 Ų53.727%0.27328%0.275SS..Hα-helixtrans-59.6-43.1179.9-78.6-8000111.1L228 G233 K234 M239 M240 D241L228-N237 WeakPolarHBondContact CD2-OD1 3.31Å; G233-N237 PolarHBondContact O-N 3.26Å; K234-N237 PolarHBondContact O-N 3.02Å; N237-M239 VanDerWaalsContact C-N 3.3Å; N237-M239 PolarHBondContact O-N 3.24Å; N237-M240 WeakPolarHBondContact O-CB 3.46Å; N237-M240 PolarHBondContact O-N 2.95Å; N237-D241 WeakPolarHBondContact O-CB 3.48Å; N237-D241 PolarHBondContact O-N 3.31Å
238Q80.6Confident81.2Confident41 Ų4153.9 Ų53.919%0.19228%0.275CS..Hα-helixtrans-61.1-39.6175.2-73.3176.9-3.800112.7K234 I235 R236 M240 D241 T242 M691 P718K234-Q238 WeakPolarHBondContact O-CG 3.4Å; K234-Q238 PolarHBondContact O-N 3.18Å; I235-Q238 PolarHBondContact O-N 3.43Å; R236-Q238 VanDerWaalsContact C-N 3.29Å; R236-Q238 PolarHBondContact O-N 2.73Å; Q238-M240 VanDerWaalsContact C-N 3.28Å; Q238-M240 PolarHBondContact O-N 2.93Å; Q238-D241 PolarHBondContact O-N 3.37Å; Q238-T242 WeakPolarHBondContact O-CB 3.34Å; Q238-T242 PolarHBondContact O-N 3.26Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 2.79Å; Q238-M691 PolarHBondContact NE2-SD 3.11Å; Q238-P718 HydrophobicContact CB-CB 4.15Å; Q238-P718 HydrophobicContact CB-CG 4.39Å
239M78.8Confident80.5Confident0 Ų051.2 Ų51.20%026%0.262CS..Hα-helixtrans-64.8-33.3174.2-70179.869.400112.3A115 L119 I235 R236 N237 A717 P718 K721 A739A115-M239 HydrophobicContact CB-CE 4.02Å; L119-M239 HydrophobicContact CD1-SD 3.77Å; I235-M239 HydrophobicContact CG2-SD 4.37Å; I235-M239 WeakPolarHBondContact O-CG 3.41Å; I235-M239 PolarHBondContact O-N 2.99Å; R236-M239 WeakPolarHBondContact O-CB 3.4Å; R236-M239 PolarHBondContact O-N 2.93Å; R236-M239 VanDerWaalsContact O-N 3.13Å; N237-M239 VanDerWaalsContact C-N 3.3Å; N237-M239 PolarHBondContact O-N 3.24Å; M239-A717 HydrophobicContact CE-CB 3.98Å; M239-A717 HydrophobicContact CG-CB 4.44Å; M239-A717 HydrophobicContact SD-CB 3.5Å; M239-A717 VanDerWaalsContact SD-CB 3.5Å; M239-P718 HydrophobicContact CG-CG 4.28Å; M239-K721 HydrophobicContact CB-CD 4.32Å; M239-K721 WeakPolarHBondContact O-CD 3.32Å; M239-K721 WeakPolarHBondContact O-CE 2.96Å; M239-K721 PolarHBondContact O-NZ 2.89Å; M239-A739 HydrophobicContact CE-CB 3.84Å
240M79.3Confident79.8Confident77 Ų7749.2 Ų49.238%0.37925%0.251SS..Hα-helixtrans-73.9-41.9175.9-71.7-171.669.700112.3I116 R236 N237 Q238 T242I116-M240 HydrophobicContact CD1-CG 3.54Å; I116-M240 HydrophobicContact CD1-SD 4.45Å; R236-M240 PolarHBondContact NH1-SD 3.5Å; R236-M240 PolarHBondContact NH2-SD 3.46Å; R236-M240 VanDerWaalsContact NH2-SD 3.37Å; R236-M240 PolarHBondContact O-N 2.9Å; N237-M240 WeakPolarHBondContact O-CB 3.46Å; N237-M240 PolarHBondContact O-N 2.95Å; Q238-M240 VanDerWaalsContact C-N 3.28Å; Q238-M240 PolarHBondContact O-N 2.93Å; M240-T242 PolarHBondContact O-N 2.88Å
241D78.8Confident79.2Confident130 Ų13053.4 Ų53.470%0.69527%0.27SS*.Hα-helixtrans-71.1-15.6-179.4-63.1-21.2000112.3N237 Q238 E243N237-D241 WeakPolarHBondContact O-CB 3.48Å; N237-D241 PolarHBondContact O-N 3.31Å; Q238-D241 PolarHBondContact O-N 3.37Å; D241-E243 PolarHBondContact O-N 3.49Å
242T72.9Confident78.7Confident15 Ų1553.6 Ų53.69%0.09227%0.271CS..  trans-81.996.1175.7-57.80000109.9Q238 M240 K721 K722Q238-T242 WeakPolarHBondContact O-CB 3.34Å; Q238-T242 PolarHBondContact O-N 3.26Å; Q238-T242 VanDerWaalsContact O-N 3.1Å; Q238-T242 PolarHBondContact O-OG1 2.79Å; M240-T242 PolarHBondContact O-N 2.88Å; T242-K721 HydrophobicContact CG2-CG 4.18Å; T242-K721 WeakPolarHBondContact O-CE 3.44Å; T242-K722 HydrophobicContact CG2-CB 4.01Å; T242-K722 HydrophobicContact CG2-CD 3.6Å; T242-K722 HydrophobicContact CG2-CG 4.43Å
243E69.3Low78.2Confident159 Ų15955.3 Ų55.374%0.74328%0.28SS*.PPolyproline II helixtrans-68.2131168.8-67-175.5176.400109.8D241 D245D241-E243 PolarHBondContact O-N 3.49Å; E243-D245 PolarHBondContact O-N 3.3Å
244P63.5Low77.7Confident112 Ų11257.6 Ų57.673%0.72729%0.292SS*.PPolyproline II helixtrans-69.2120.2174.726.8-30.9000109.8
245D69.3Low77.4Confident118 Ų11858.5 Ų58.563%0.63130%0.297SS*.PPolyproline II helixtrans-71.3145172.4-82.1-42.2000110.9E243E243-D245 PolarHBondContact O-N 3.3Å
246K73.5Confident77Confident116 Ų11659.8 Ų59.850%0.50430%0.302SS..PPolyproline II helixtrans-61.8140.1172.4-72.3-176173.2-174.60110Q250 Q251 D254K246-Q250 HydrophobicContact CB-CB 4.19Å; K246-Q251 HydrophobicContact CB-CG 3.87Å; K246-Q251 PolarHBondContact O-NE2 2.8Å; K246-D254 IonicContact NZ-OD2 3.84Å; K246-D254 PolarHBondContact NZ-OD2 3.43Å
247T75.2Confident76.8Confident17 Ų1759.8 Ų59.810%0.10430%0.303CS..PPolyproline II helixtrans-64.5156.7179.769.50000112.1L249 Q250 Q251 P337T247-L249 PolarHBondContact O-N 2.81Å; T247-Q250 VanDerWaalsContact N-OE1 3.14Å; T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.42Å; T247-Q250 PolarHBondContact OG1-N 2.72Å; T247-Q251 WeakPolarHBondContact O-CG 3.3Å; T247-Q251 PolarHBondContact O-N 3.45Å; T247-P337 HydrophobicContact CG2-CB 3.53Å
248P76.2Confident76.6Confident8 Ų862.5 Ų62.55%0.05232%0.315CS..Hα-helixtrans-49.8-42.7175-31.738.5000113.3K252 I833P248-K252 WeakPolarHBondContact O-CB 3.31Å; P248-K252 WeakPolarHBondContact O-CG 3.43Å; P248-K252 PolarHBondContact O-N 3.41Å; P248-K252 VanDerWaalsContact O-N 3.08Å; P248-I833 HydrophobicContact CB-CG2 4.14Å; P248-I833 HydrophobicContact CG-CG2 4.34Å
249L75.8Confident76.7Confident6 Ų665.8 Ų65.83%0.03133%0.33CS..Hα-helixtrans-64.1-47175.2-178.965.4000112.4T247 Q251 K252 L253 I315 E340 M766T247-L249 PolarHBondContact O-N 2.81Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 3.48Å; L249-K252 CarbonylContact O-C 3.6Å; L249-K252 PolarHBondContact O-N 3.07Å; L249-K252 VanDerWaalsContact O-N 3.13Å; L249-L253 HydrophobicContact CD1-CD1 4.32Å; L249-L253 HydrophobicContact CD1-CG 4.23Å; L249-L253 HydrophobicContact CD2-CD1 4.45Å; L249-L253 HydrophobicContact CG-CD1 3.92Å; L249-L253 HydrophobicContact CG-CG 4.27Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.31Å; L249-L253 PolarHBondContact O-N 2.84Å; L249-I315 HydrophobicContact CD2-CG2 4.43Å; L249-E340 HydrophobicContact CB-CG 3.98Å; L249-E340 WeakPolarHBondContact CB-OE2 3.5Å; L249-E340 HydrophobicContact CD2-CB 4.4Å; L249-E340 HydrophobicContact CD2-CG 4.23Å; L249-E340 PolarHBondContact N-OE2 3.48Å; L249-M766 HydrophobicContact CD2-CE 3.82Å; L249-M766 HydrophobicContact CD2-SD 3.8Å
250Q77.2Confident76.7Confident75 Ų7567.1 Ų67.135%0.3534%0.337SS..Hα-helixtrans-59.8-45.6178.8-77.1174.9-21.800111.4K246 T247 K252 L253 D254K246-Q250 HydrophobicContact CB-CB 4.19Å; T247-Q250 VanDerWaalsContact N-OE1 3.14Å; T247-Q250 PolarHBondContact O-N 3.38Å; T247-Q250 WeakPolarHBondContact OG1-CG 3.42Å; T247-Q250 PolarHBondContact OG1-N 2.72Å; Q250-K252 VanDerWaalsContact C-N 3.26Å; Q250-K252 PolarHBondContact O-N 2.68Å; Q250-L253 PolarHBondContact O-N 3.42Å; Q250-D254 PolarHBondContact O-N 3.35Å
251Q81.8Confident76.8Confident90 Ų9063.9 Ų63.942%0.42132%0.322SS..Hα-helixtrans-58.2-40.6175.5-65.9179.514.900111.7K246 T247 L249 D254 E255K246-Q251 HydrophobicContact CB-CG 3.87Å; K246-Q251 PolarHBondContact O-NE2 2.8Å; T247-Q251 WeakPolarHBondContact O-CG 3.3Å; T247-Q251 PolarHBondContact O-N 3.45Å; L249-Q251 VanDerWaalsContact C-N 3.34Å; L249-Q251 PolarHBondContact O-N 3.48Å; Q251-D254 PolarHBondContact O-N 2.88Å; Q251-E255 WeakPolarHBondContact O-CB 3.33Å; Q251-E255 PolarHBondContact O-N 2.93Å
252K79.6Confident77.1Confident33 Ų3364 Ų6414%0.14332%0.316CS..Hα-helixtrans-72.7-32.9178.5-70.3-71.3164.1-159.90113.1P248 L249 Q250 E255 F256 I833 L837P248-K252 WeakPolarHBondContact O-CB 3.31Å; P248-K252 WeakPolarHBondContact O-CG 3.43Å; P248-K252 PolarHBondContact O-N 3.41Å; P248-K252 VanDerWaalsContact O-N 3.08Å; L249-K252 CarbonylContact O-C 3.6Å; L249-K252 PolarHBondContact O-N 3.07Å; L249-K252 VanDerWaalsContact O-N 3.13Å; Q250-K252 VanDerWaalsContact C-N 3.26Å; Q250-K252 PolarHBondContact O-N 2.68Å; K252-E255 IonicContact NZ-OE2 2.65Å; K252-E255 PolarHBondContact NZ-OE2 2.73Å; K252-F256 WeakPolarHBondContact O-CB 3.23Å; K252-F256 PolarHBondContact O-N 2.71Å; K252-I833 VanDerWaalsContact CE-O 3.3Å; K252-I833 WeakPolarHBondContact CE-O 3.35Å; K252-L837 HydrophobicContact CB-CD1 3.73Å; K252-L837 HydrophobicContact CB-CG 4.36Å
253L77.4Confident77.5Confident40 Ų4066.9 Ų66.921%0.20933%0.333CS..Hα-helixtrans-68.5-41.3172.8-70.8170.5000111.1L249 Q250 F256 G257 L311 I315L249-L253 HydrophobicContact CD1-CD1 4.32Å; L249-L253 HydrophobicContact CD1-CG 4.23Å; L249-L253 HydrophobicContact CD2-CD1 4.45Å; L249-L253 HydrophobicContact CG-CD1 3.92Å; L249-L253 HydrophobicContact CG-CG 4.27Å; L249-L253 VanDerWaalsContact O-CG 3.32Å; L249-L253 WeakPolarHBondContact O-CG 3.31Å; L249-L253 PolarHBondContact O-N 2.84Å; Q250-L253 PolarHBondContact O-N 3.42Å; L253-F256 PolarHBondContact O-N 2.91Å; L253-G257 PolarHBondContact O-N 2.66Å; L253-L311 HydrophobicContact CD2-CD2 4.18Å; L253-I315 HydrophobicContact CD1-CD1 3.77Å; L253-I315 HydrophobicContact CD2-CD1 3.95Å
254D78.4Confident78Confident47 Ų4759.6 Ų59.625%0.25130%0.3SS..Hα-helixtrans-63.9-46.6174.7-71.4-5000110.9K246 Q250 Q251 F256 G257 Q258K246-D254 IonicContact NZ-OD2 3.84Å; K246-D254 PolarHBondContact NZ-OD2 3.43Å; Q250-D254 PolarHBondContact O-N 3.35Å; Q251-D254 PolarHBondContact O-N 2.88Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 2.85Å; D254-G257 PolarHBondContact O-N 2.9Å; D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 3.15Å
255E82.5Confident78.9Confident83 Ų8357.2 Ų57.239%0.38829%0.285SS..Hα-helixtrans-60-44.7175.9-172.9-178.2-17700110.8Q251 K252 Q258 Q259Q251-E255 WeakPolarHBondContact O-CB 3.33Å; Q251-E255 PolarHBondContact O-N 2.93Å; K252-E255 IonicContact NZ-OE2 2.65Å; K252-E255 PolarHBondContact NZ-OE2 2.73Å; E255-Q258 PolarHBondContact O-N 3.33Å; E255-Q259 WeakPolarHBondContact O-CG 3.17Å; E255-Q259 PolarHBondContact O-N 3.2Å
256F78.2Confident79.7Confident33 Ų3357.2 Ų57.215%0.14528%0.284CS..Hα-helixtrans-60.9-46.5175.3172.4-102.5000111.6K252 L253 D254 Q258 Q259 L260 P308 I774K252-F256 WeakPolarHBondContact O-CB 3.23Å; K252-F256 PolarHBondContact O-N 2.71Å; L253-F256 PolarHBondContact O-N 2.91Å; D254-F256 VanDerWaalsContact C-N 3.32Å; D254-F256 PolarHBondContact O-N 2.85Å; F256-Q258 VanDerWaalsContact C-N 3.32Å; F256-Q258 PolarHBondContact O-N 3.08Å; F256-Q259 PolarHBondContact O-N 3.41Å; F256-L260 HydrophobicContact CE1-CD2 3.95Å; F256-L260 HydrophobicContact CZ-CB 4.47Å; F256-L260 HydrophobicContact CZ-CD2 4Å; F256-L260 WeakPolarHBondContact O-CB 3.45Å; F256-L260 PolarHBondContact O-N 3.35Å; F256-P308 HydrophobicContact CE1-CG 4.4Å; F256-I774 HydrophobicContact CD2-CD1 4.29Å; F256-I774 HydrophobicContact CE1-CD1 4.04Å; F256-I774 HydrophobicContact CE1-CG1 4.4Å; F256-I774 HydrophobicContact CE2-CD1 3.44Å; F256-I774 VanDerWaalsContact CE2-CD1 3.44Å; F256-I774 HydrophobicContact CE2-CG1 4.2Å; F256-I774 HydrophobicContact CZ-CD1 3.29Å; F256-I774 HydrophobicContact CZ-CG1 3.65Å
257G78.6Confident80Confident4 Ų453.6 Ų53.64%0.04127%0.27CS..Hα-helixtrans-62-39178.600000112.6L253 D254 S261L253-G257 PolarHBondContact O-N 2.66Å; D254-G257 PolarHBondContact O-N 2.9Å; G257-S261 VanDerWaalsContact O-CB 3.29Å; G257-S261 WeakPolarHBondContact O-CB 3.47Å; G257-S261 PolarHBondContact O-N 3.01Å
258Q82.6Confident80.2Confident109 Ų10954.2 Ų54.251%0.50928%0.275SS..Hα-helixtrans-66.1-41.1173.5-71.4178.919.100112.8D254 E255 F256 K262D254-Q258 WeakPolarHBondContact O-CG 3.47Å; D254-Q258 PolarHBondContact O-N 3.15Å; E255-Q258 PolarHBondContact O-N 3.33Å; F256-Q258 VanDerWaalsContact C-N 3.32Å; F256-Q258 PolarHBondContact O-N 3.08Å; Q258-K262 WeakPolarHBondContact O-CG 3.28Å; Q258-K262 PolarHBondContact O-N 2.96Å
259Q81.7Confident80.5Confident109 Ų10958.4 Ų58.451%0.50930%0.3SS..Hα-helixtrans-64.9-46.6176-74.4-177.16.800111E255 F256 S261 K262 V263E255-Q259 WeakPolarHBondContact O-CG 3.17Å; E255-Q259 PolarHBondContact O-N 3.2Å; F256-Q259 PolarHBondContact O-N 3.41Å; Q259-S261 PolarHBondContact O-N 2.96Å; Q259-K262 WeakPolarHBondContact O-CB 3.45Å; Q259-K262 PolarHBondContact O-N 2.92Å; Q259-V263 WeakPolarHBondContact O-CG2 3.4Å; Q259-V263 PolarHBondContact O-N 3.47Å
260L78.9Confident80.9Confident28 Ų2859.8 Ų59.815%0.14731%0.312CS..Hα-helixtrans-60.3-45.8178.8-174.363.4000111.2L61 F256 K262 V263 I264 A306L61-L260 HydrophobicContact CD2-CD2 4.45Å; F256-L260 HydrophobicContact CE1-CD2 3.95Å; F256-L260 HydrophobicContact CZ-CB 4.47Å; F256-L260 HydrophobicContact CZ-CD2 4Å; F256-L260 WeakPolarHBondContact O-CB 3.45Å; F256-L260 PolarHBondContact O-N 3.35Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.4Å; L260-V263 PolarHBondContact O-N 3.36Å; L260-V263 VanDerWaalsContact O-N 3.08Å; L260-I264 HydrophobicContact CG-CD1 4Å; L260-I264 HydrophobicContact CG-CG1 4.48Å; L260-I264 VanDerWaalsContact O-CG1 3.29Å; L260-I264 WeakPolarHBondContact O-CG1 3.41Å; L260-I264 PolarHBondContact O-N 3.22Å; L260-A306 WeakPolarHBondContact CD2-O 3.19Å
261S80.7Confident80.9Confident9 Ų956.5 Ų56.56%0.06330%0.297CS..Hα-helixtrans-55.8-41175.3173.90000113.2L60 I64 G257 Q259 S265L60-S261 VanDerWaalsContact CD2-OG 3.27Å; L60-S261 WeakPolarHBondContact CD2-OG 3.31Å; I64-S261 VanDerWaalsContact CD1-OG 3.23Å; I64-S261 WeakPolarHBondContact CD1-OG 3.43Å; G257-S261 VanDerWaalsContact O-CB 3.29Å; G257-S261 WeakPolarHBondContact O-CB 3.47Å; G257-S261 PolarHBondContact O-N 3.01Å; Q259-S261 PolarHBondContact O-N 2.96Å; S261-S265 WeakPolarHBondContact O-CB 3.28Å; S261-S265 PolarHBondContact O-N 3.46Å; S261-S265 PolarHBondContact O-OG 3.45Å
262K84.9Confident80.6Confident134 Ų13458 Ų5858%0.58330%0.299SS*.Hα-helixtrans-65.4-44175.1-71.3171.8-173.8170.40111.6Q258 Q259 L260 S265 I266Q258-K262 WeakPolarHBondContact O-CG 3.28Å; Q258-K262 PolarHBondContact O-N 2.96Å; Q259-K262 WeakPolarHBondContact O-CB 3.45Å; Q259-K262 PolarHBondContact O-N 2.92Å; L260-K262 VanDerWaalsContact C-N 3.3Å; L260-K262 PolarHBondContact O-N 3.4Å; K262-S265 PolarHBondContact O-N 2.89Å; K262-I266 VanDerWaalsContact O-CG1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.3Å; K262-I266 PolarHBondContact O-N 3.01Å
263V81.7Confident80.7Confident74 Ų7459.1 Ų59.145%0.44832%0.315SS..Hα-helixtrans-61.4-47.6177.6173.80000110.5Q259 L260 S265 I266 I267Q259-V263 WeakPolarHBondContact O-CG2 3.4Å; Q259-V263 PolarHBondContact O-N 3.47Å; L260-V263 PolarHBondContact O-N 3.36Å; L260-V263 VanDerWaalsContact O-N 3.08Å; V263-S265 VanDerWaalsContact C-N 3.33Å; V263-S265 PolarHBondContact O-N 3.22Å; V263-I266 PolarHBondContact O-N 3.05Å; V263-I267 HydrophobicContact CG1-CD1 3.75Å; V263-I267 HydrophobicContact CG1-CG1 4.38Å; V263-I267 WeakPolarHBondContact O-CG1 3.15Å; V263-I267 PolarHBondContact O-N 3.3Å
264I79.8Confident80.8Confident7 Ų761.3 Ų61.34%0.03633%0.326CS..Hα-helixtrans-55.7-50176-66.4169000110.3L260 I266 I267 C268 A303 A306 I307L260-I264 HydrophobicContact CG-CD1 4Å; L260-I264 HydrophobicContact CG-CG1 4.48Å; L260-I264 VanDerWaalsContact O-CG1 3.29Å; L260-I264 WeakPolarHBondContact O-CG1 3.41Å; L260-I264 PolarHBondContact O-N 3.22Å; I264-I266 VanDerWaalsContact C-N 3.31Å; I264-I266 PolarHBondContact O-N 3.37Å; I264-I267 PolarHBondContact O-N 3.39Å; I264-C268 WeakPolarHBondContact O-CB 3.46Å; I264-C268 PolarHBondContact O-N 3.3Å; I264-C268 PolarHBondContact O-SG 3.02Å; I264-C268 VanDerWaalsContact O-SG 3.36Å; I264-A303 HydrophobicContact CG2-CB 4.29Å; I264-A306 HydrophobicContact CD1-CB 3.47Å; I264-A306 VanDerWaalsContact CD1-CB 3.47Å; I264-A306 HydrophobicContact CG1-CB 3.37Å; I264-I307 HydrophobicContact CD1-CG1 3.87Å
265S82.4Confident80.7Confident61 Ų6159.3 Ų59.343%0.42732%0.315SS..Hα-helixtrans-58.9-42.4-179.8-59.50000112S261 K262 V263 V269S261-S265 WeakPolarHBondContact O-CB 3.28Å; S261-S265 PolarHBondContact O-N 3.46Å; S261-S265 PolarHBondContact O-OG 3.45Å; K262-S265 PolarHBondContact O-N 2.89Å; V263-S265 VanDerWaalsContact C-N 3.33Å; V263-S265 PolarHBondContact O-N 3.22Å; S265-V269 VanDerWaalsContact O-CG2 3.3Å; S265-V269 WeakPolarHBondContact O-CG2 3.27Å; S265-V269 PolarHBondContact O-N 3.03Å; S265-V269 VanDerWaalsContact O-N 3.08Å
266I86.5Confident80.5Confident118 Ų11858.6 Ų58.661%0.60531%0.313SS*.Hα-helixtrans-64.1-45.4177.2-69.5165.3000110.9K262 V263 I264 V269 A270K262-I266 VanDerWaalsContact O-CG1 3.27Å; K262-I266 WeakPolarHBondContact O-CG1 3.3Å; K262-I266 PolarHBondContact O-N 3.01Å; V263-I266 PolarHBondContact O-N 3.05Å; I264-I266 VanDerWaalsContact C-N 3.31Å; I264-I266 PolarHBondContact O-N 3.37Å; I266-V269 PolarHBondContact O-N 2.95Å; I266-A270 WeakPolarHBondContact O-CB 3.26Å; I266-A270 PolarHBondContact O-N 3.18Å
267I80.9Confident80.2Confident41 Ų4160 Ų6021%0.2134%0.336CS..Hα-helixtrans-68-42.6-179.1-61.1172000110.5V263 I264 V269 A270 V271 L302 V781 F785V263-I267 HydrophobicContact CG1-CD1 3.75Å; V263-I267 HydrophobicContact CG1-CG1 4.38Å; V263-I267 WeakPolarHBondContact O-CG1 3.15Å; V263-I267 PolarHBondContact O-N 3.3Å; I264-I267 PolarHBondContact O-N 3.39Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.41Å; I267-A270 WeakPolarHBondContact O-CB 3.16Å; I267-A270 PolarHBondContact O-N 2.9Å; I267-A270 VanDerWaalsContact O-N 3.1Å; I267-V271 HydrophobicContact CG2-CG2 4.17Å; I267-V271 WeakPolarHBondContact O-CG2 3.47Å; I267-V271 PolarHBondContact O-N 3.41Å; I267-L302 HydrophobicContact CB-CD2 3.93Å; I267-L302 HydrophobicContact CG2-CD1 4.01Å; I267-L302 HydrophobicContact CG2-CD2 3.5Å; I267-L302 VanDerWaalsContact CG2-CD2 3.5Å; I267-L302 HydrophobicContact CG2-CG 4.34Å; I267-V781 HydrophobicContact CD1-CG1 3.74Å; I267-V781 HydrophobicContact CG2-CG1 4.5Å; I267-F785 HydrophobicContact CG2-CD2 4.15Å
268C78.9Confident79.9Confident29 Ų2963.6 Ų63.620%0.19635%0.352CS..Hα-helixtrans-56-45.6174.4-73.90000111.6I264 W272 L302I264-C268 WeakPolarHBondContact O-CB 3.46Å; I264-C268 PolarHBondContact O-N 3.3Å; I264-C268 PolarHBondContact O-SG 3.02Å; I264-C268 VanDerWaalsContact O-SG 3.36Å; C268-W272 WeakPolarHBondContact O-CB 3.26Å; C268-W272 PolarHBondContact O-N 3.45Å; C268-L302 VanDerWaalsContact SG-CD2 3.57Å
269V83Confident79.4Confident96 Ų9658.5 Ų58.558%0.58233%0.328SS*.Hα-helixtrans-65.4-39.6176.2172.30000111.4S265 I266 I267 W272 A273S265-V269 VanDerWaalsContact O-CG2 3.3Å; S265-V269 WeakPolarHBondContact O-CG2 3.27Å; S265-V269 PolarHBondContact O-N 3.03Å; S265-V269 VanDerWaalsContact O-N 3.08Å; I266-V269 PolarHBondContact O-N 2.95Å; I267-V269 VanDerWaalsContact C-N 3.31Å; I267-V269 PolarHBondContact O-N 3.41Å; V269-W272 PolarHBondContact O-N 3Å; V269-A273 VanDerWaalsContact O-CB 3.29Å; V269-A273 WeakPolarHBondContact O-CB 3.39Å; V269-A273 PolarHBondContact O-N 2.92Å
270A82.6Confident78.6Confident36 Ų3658.4 Ų58.430%0.29833%0.331SS..Hα-helixtrans-64.6-46.3177.700000112I266 I267 W272 A273 I274I266-A270 WeakPolarHBondContact O-CB 3.26Å; I266-A270 PolarHBondContact O-N 3.18Å; I267-A270 WeakPolarHBondContact O-CB 3.16Å; I267-A270 PolarHBondContact O-N 2.9Å; I267-A270 VanDerWaalsContact O-N 3.1Å; A270-W272 VanDerWaalsContact C-N 3.33Å; A270-W272 PolarHBondContact O-N 3.29Å; A270-A273 PolarHBondContact O-N 3.34Å; A270-I274 WeakPolarHBondContact O-CD1 3.3Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.43Å; A270-I274 PolarHBondContact O-N 3.29Å
271V77Confident78Confident5 Ų558.8 Ų58.83%0.0333%0.333CS..Hα-helixtrans-60.1-45175.5172.80000110.3I267 I274 N275 I298 F785 A788I267-V271 HydrophobicContact CG2-CG2 4.17Å; I267-V271 WeakPolarHBondContact O-CG2 3.47Å; I267-V271 PolarHBondContact O-N 3.41Å; V271-I274 PolarHBondContact O-N 3.1Å; V271-N275 WeakPolarHBondContact O-CB 3.22Å; V271-N275 PolarHBondContact O-N 3.14Å; V271-N275 VanDerWaalsContact O-N 3.1Å; V271-N275 PolarHBondContact O-ND2 3.31Å; V271-I298 HydrophobicContact CG1-CG2 4.11Å; V271-F785 HydrophobicContact CG2-CD2 3.56Å; V271-F785 HydrophobicContact CG2-CE2 3.98Å; V271-A788 HydrophobicContact CG1-CB 4.34Å
272W76.5Confident77Confident121 Ų12162.1 Ų62.146%0.45836%0.355SS..Hα-helixtrans-61.6-44.5176.6-175.982.6000112C268 V269 A270 N275 I276 F279C268-W272 WeakPolarHBondContact O-CB 3.26Å; C268-W272 PolarHBondContact O-N 3.45Å; V269-W272 PolarHBondContact O-N 3Å; A270-W272 VanDerWaalsContact C-N 3.33Å; A270-W272 PolarHBondContact O-N 3.29Å; W272-N275 PolarHBondContact O-N 3.04Å; W272-I276 HydrophobicContact CE3-CD1 4.44Å; W272-I276 HydrophobicContact CH2-CD1 3.4Å; W272-I276 VanDerWaalsContact CH2-CD1 3.4Å; W272-I276 HydrophobicContact CH2-CG1 4.49Å; W272-I276 HydrophobicContact CZ2-CD1 3.67Å; W272-I276 HydrophobicContact CZ2-CG1 4.34Å; W272-I276 HydrophobicContact CZ3-CD1 3.83Å; W272-I276 PolarHBondContact O-N 2.99Å; W272-F279 AromaticContact CD1-CZ 3.63Å; W272-F279 AromaticContact NE1-CE2 3.62Å; W272-F279 AromaticContact NE1-CZ 3.44Å
273A82.2Confident75.7Confident57 Ų5757.4 Ų57.447%0.47134%0.341SS..Hα-helixtrans-65.6-39.9179.900000113V269 A270 N275 I276V269-A273 VanDerWaalsContact O-CB 3.29Å; V269-A273 WeakPolarHBondContact O-CB 3.39Å; V269-A273 PolarHBondContact O-N 2.92Å; A270-A273 PolarHBondContact O-N 3.34Å; A273-N275 VanDerWaalsContact C-N 3.29Å; A273-N275 PolarHBondContact O-N 3.21Å; A273-I276 WeakPolarHBondContact O-CG2 3Å
274I79.9Confident74.6Confident86 Ų8654.9 Ų54.944%0.44132%0.324SS..Hα-helixtrans-64.3-38.9176-68.6164.1000110.3A270 V271 F785A270-I274 WeakPolarHBondContact O-CD1 3.3Å; A270-I274 VanDerWaalsContact O-CG1 3.25Å; A270-I274 WeakPolarHBondContact O-CG1 3.43Å; A270-I274 PolarHBondContact O-N 3.29Å; V271-I274 PolarHBondContact O-N 3.1Å; I274-F785 HydrophobicContact CD1-CE2 4.06Å; I274-F785 HydrophobicContact CD1-CZ 4.01Å
275N75.1Confident73.5Confident5 Ų558 Ų583%0.02736%0.357CS..Hα-helixtrans-92.3-7.3-172-73.4-57.5000115.2V271 W272 A273 G277 H278 F279 Y295V271-N275 WeakPolarHBondContact O-CB 3.22Å; V271-N275 PolarHBondContact O-N 3.14Å; V271-N275 VanDerWaalsContact O-N 3.1Å; V271-N275 PolarHBondContact O-ND2 3.31Å; W272-N275 PolarHBondContact O-N 3.04Å; A273-N275 VanDerWaalsContact C-N 3.29Å; A273-N275 PolarHBondContact O-N 3.21Å; N275-G277 PolarHBondContact O-N 3.13Å; N275-G277 VanDerWaalsContact O-N 3.08Å; N275-H278 PolarHBondContact O-N 2.83Å; N275-F279 HydrophobicContact CB-CE1 4.32Å; N275-F279 WeakPolarHBondContact O-CD1 3.02Å; N275-Y295 HydrophobicContact CB-CD1 3.43Å; N275-Y295 VanDerWaalsContact CB-CD1 3.43Å; N275-Y295 HydrophobicContact CB-CD2 4.13Å; N275-Y295 HydrophobicContact CB-CE1 3.3Å; N275-Y295 HydrophobicContact CB-CE2 3.99Å; N275-Y295 HydrophobicContact CB-CG 3.84Å; N275-Y295 VanDerWaalsContact CG-CD1 3.48Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.05Å; N275-Y295 PolarHBondContact OD1-OH 3.43Å
276I78.7Confident72.3Confident69 Ų6957.3 Ų57.335%0.35436%0.361SS..G310 helixtrans-57.9-28.9-178.3-151.9171.3000113W272 A273 H278 F279 W288W272-I276 HydrophobicContact CE3-CD1 4.44Å; W272-I276 HydrophobicContact CH2-CD1 3.4Å; W272-I276 VanDerWaalsContact CH2-CD1 3.4Å; W272-I276 HydrophobicContact CH2-CG1 4.49Å; W272-I276 HydrophobicContact CZ2-CD1 3.67Å; W272-I276 HydrophobicContact CZ2-CG1 4.34Å; W272-I276 HydrophobicContact CZ3-CD1 3.83Å; W272-I276 PolarHBondContact O-N 2.99Å; A273-I276 WeakPolarHBondContact O-CG2 3Å; I276-H278 VanDerWaalsContact C-N 3.3Å; I276-H278 PolarHBondContact O-N 2.96Å; I276-F279 PolarHBondContact O-N 3.45Å; I276-W288 HydrophobicContact CG1-CZ2 4.48Å
277G72.5Confident71.4Confident61 Ų6153.9 Ų53.963%0.62935%0.347SS*.G310 helixtrans-67-29.3175.800000113.6N275N275-G277 PolarHBondContact O-N 3.13Å; N275-G277 VanDerWaalsContact O-N 3.08Å
278H71.4Confident71.1Confident81 Ų8158 Ų5838%0.37536%0.36SS..G310 helixtrans-89.2-3.7-179.3-72.5-77.8000113.4N275 I276 N280 D281 Y295N275-H278 PolarHBondContact O-N 2.83Å; I276-H278 VanDerWaalsContact C-N 3.3Å; I276-H278 PolarHBondContact O-N 2.96Å; H278-N280 PolarHBondContact O-N 2.97Å; H278-D281 IonicContact CE1-OD2 3.83Å; H278-D281 IonicContact CG-OD2 3.64Å; H278-D281 IonicContact ND1-OD2 2.78Å; H278-D281 PolarHBondContact ND1-OD2 3.16Å; H278-D281 WeakPolarHBondContact O-CB 3.35Å; H278-D281 PolarHBondContact O-N 3.25Å; H278-Y295 HydrophobicContact CB-CE2 4.11Å; H278-Y295 VanDerWaalsContact CB-OH 3.29Å; H278-Y295 WeakPolarHBondContact CB-OH 3.07Å
279F71.4Confident70.8Confident2 Ų262.4 Ų62.41%0.00938%0.381CS..G310 helixtrans-64.2-25.9-179.9-78.724.9000112.9W272 N275 I276 W288 A292 Y295W272-F279 AromaticContact CD1-CZ 3.63Å; W272-F279 AromaticContact NE1-CE2 3.62Å; W272-F279 AromaticContact NE1-CZ 3.44Å; N275-F279 HydrophobicContact CB-CE1 4.32Å; N275-F279 WeakPolarHBondContact O-CD1 3.02Å; I276-F279 PolarHBondContact O-N 3.45Å; F279-W288 VanDerWaalsContact CB-CD1 3.47Å; F279-W288 HydrophobicContact CB-CG 4.29Å; F279-W288 VanDerWaalsContact CB-NE1 3.28Å; F279-W288 HydrophobicContact CD2-CD2 4.3Å; F279-W288 AromaticContact CD2-CE2 3.79Å; F279-W288 HydrophobicContact CD2-CH2 4.35Å; F279-W288 AromaticContact CD2-CZ2 3.84Å; F279-W288 HydrophobicContact CD2-CZ2 3.84Å; F279-W288 AromaticContact CD2-NE1 3.99Å; F279-A292 HydrophobicContact CD2-CB 4.07Å; F279-A292 HydrophobicContact CE2-CB 3.87Å; F279-Y295 AromaticContact CD1-CD2 3.4Å; F279-Y295 HydrophobicContact CD1-CD2 3.4Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.4Å; F279-Y295 AromaticContact CD1-CE2 3.81Å; F279-Y295 HydrophobicContact CD1-CE2 3.81Å; F279-Y295 HydrophobicContact CD1-CG 4.29Å; F279-Y295 AromaticContact CE1-CD2 3.18Å; F279-Y295 HydrophobicContact CE1-CD2 3.18Å; F279-Y295 AromaticContact CE1-CE2 3.97Å; F279-Y295 HydrophobicContact CE1-CE2 3.97Å; F279-Y295 AromaticContact CE1-CG 3.62Å; F279-Y295 HydrophobicContact CE1-CG 3.62Å; F279-Y295 HydrophobicContact CZ-CD2 4.23Å; F279-Y295 HydrophobicContact CZ-CG 4.43Å
280N66Low70.1Confident107 Ų10764 Ų6457%0.57238%0.38SS*.G310 helixtrans-91.16176.4-83.6-33.5000113.3H278H278-N280 PolarHBondContact O-N 2.97Å
281D65.8Low69.6Low35 Ų3562.3 Ų62.319%0.18737%0.366CS..  trans-61.3139.4-175.8-92.3-13.9000111.8H278 A283 H284H278-D281 IonicContact CE1-OD2 3.83Å; H278-D281 IonicContact CG-OD2 3.64Å; H278-D281 IonicContact ND1-OD2 2.78Å; H278-D281 PolarHBondContact ND1-OD2 3.16Å; H278-D281 WeakPolarHBondContact O-CB 3.35Å; H278-D281 PolarHBondContact O-N 3.25Å; D281-A283 PolarHBondContact O-N 3.26Å; D281-H284 PolarHBondContact O-N 3.4Å
282P59.6Low69.5Low79 Ų7963.4 Ų63.451%0.51338%0.376SS..G310 helixtrans-59.8-20.7-177.220.7-30.3000113.1H284 G285P282-H284 PolarHBondContact O-N 3.04Å; P282-G285 WeakPolarHBondContact O-CA 2.99Å; P282-G285 PolarHBondContact O-N 2.96Å
283A57.7Low69.4Low35 Ų3561 Ų6129%0.28937%0.371SS..G310 helixtrans-54.5-34.9173.100000114.2D281 G285 M883D281-A283 PolarHBondContact O-N 3.26Å; A283-G285 PolarHBondContact O-N 3.31Å; A283-M883 HydrophobicContact CB-CB 3.62Å; A283-M883 WeakPolarHBondContact CB-O 3.43Å
284H59.2Low69Low22 Ų2260.6 Ų60.610%0.10236%0.358CS..G310 helixtrans-86.315.2178.5-59.297.5000112.7D281 P282 G286 S287 K290 Y294 M883D281-H284 PolarHBondContact O-N 3.4Å; P282-H284 PolarHBondContact O-N 3.04Å; H284-G286 VanDerWaalsContact C-N 3.3Å; H284-S287 PolarHBondContact O-N 3.49Å; H284-K290 HydrophobicContact CB-CB 3.96Å; H284-Y294 AromaticContact NE2-CG 3.96Å; H284-M883 WeakPolarHBondContact NE2-CE 3.46Å
285G55.8Low68.7Low71 Ų7157.4 Ų57.473%0.73234%0.34SS*.THydrogen-bonded Turntrans73.218.8-173.300000113.8P282 A283 S287P282-G285 WeakPolarHBondContact O-CA 2.99Å; P282-G285 PolarHBondContact O-N 2.96Å; A283-G285 PolarHBondContact O-N 3.31Å; G285-S287 PolarHBondContact O-N 3.33Å
286G57.8Low68.7Low48 Ų4862 Ų6250%0.49536%0.36SS..THydrogen-bonded Turntrans69.810.6-173.200000114.1H284H284-G286 VanDerWaalsContact C-N 3.3Å
287S67.7Low68.4Low46 Ų4662.1 Ų62.132%0.32236%0.358SS..  trans-91.6109.9177.1178.30000110.2H284 G285 L289 K290 G291H284-S287 PolarHBondContact O-N 3.49Å; G285-S287 PolarHBondContact O-N 3.33Å; S287-L289 PolarHBondContact O-N 2.98Å; S287-L289 VanDerWaalsContact O-N 3.07Å; S287-L289 PolarHBondContact OG-N 3.01Å; S287-K290 PolarHBondContact O-N 3.47Å; S287-G291 PolarHBondContact O-N 3.42Å
288W73.8Confident68.5Low127 Ų12759.8 Ų59.848%0.48133%0.331SS..Hα-helixtrans-53-30173.2-149.363.8000112.3I276 F279 A292I276-W288 HydrophobicContact CG1-CZ2 4.48Å; F279-W288 VanDerWaalsContact CB-CD1 3.47Å; F279-W288 HydrophobicContact CB-CG 4.29Å; F279-W288 VanDerWaalsContact CB-NE1 3.28Å; F279-W288 HydrophobicContact CD2-CD2 4.3Å; F279-W288 AromaticContact CD2-CE2 3.79Å; F279-W288 HydrophobicContact CD2-CH2 4.35Å; F279-W288 AromaticContact CD2-CZ2 3.84Å; F279-W288 HydrophobicContact CD2-CZ2 3.84Å; F279-W288 AromaticContact CD2-NE1 3.99Å; W288-A292 VanDerWaalsContact O-CB 3.25Å; W288-A292 WeakPolarHBondContact O-CB 3.38Å; W288-A292 PolarHBondContact O-N 3.38Å
289L72.6Confident68.7Low122 Ų12257 Ų5764%0.63932%0.322SS*.Hα-helixtrans-67.2-42.4178.3-166.474.8000112.2S287 A292 I293S287-L289 PolarHBondContact O-N 2.98Å; S287-L289 VanDerWaalsContact O-N 3.07Å; S287-L289 PolarHBondContact OG-N 3.01Å; L289-A292 PolarHBondContact O-N 3.09Å; L289-I293 HydrophobicContact CG-CD1 4.33Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.17Å
290K68.2Low68.8Low129 Ų12957.1 Ų57.156%0.56132%0.323SS*.Hα-helixtrans-69.7-40.8179.3-79.2-169175.3-171.20111.6H284 S287 I293 Y294H284-K290 HydrophobicContact CB-CB 3.96Å; S287-K290 PolarHBondContact O-N 3.47Å; K290-I293 PolarHBondContact O-N 2.97Å; K290-Y294 PolarHBondContact O-N 3.04Å
291G73.3Confident69.2Low0 Ų052.5 Ų52.50%030%0.3CS..Hα-helixtrans-62.5-43.917300000112.2S287 I293 Y294 Y295S287-G291 PolarHBondContact O-N 3.42Å; G291-I293 VanDerWaalsContact C-N 3.34Å; G291-I293 PolarHBondContact O-N 2.82Å; G291-Y294 PolarHBondContact O-N 2.95Å; G291-Y295 VanDerWaalsContact O-CD2 3.27Å; G291-Y295 WeakPolarHBondContact O-CD2 3.26Å; G291-Y295 PolarHBondContact O-N 3.44Å; G291-Y295 VanDerWaalsContact O-N 3.1Å
292A75.5Confident69.9Low28 Ų2850.9 Ų50.923%0.23129%0.291CS..Hα-helixtrans-59.6-44175.300000111.9F279 W288 L289 Y294 F296F279-A292 HydrophobicContact CD2-CB 4.07Å; F279-A292 HydrophobicContact CE2-CB 3.87Å; W288-A292 VanDerWaalsContact O-CB 3.25Å; W288-A292 WeakPolarHBondContact O-CB 3.38Å; W288-A292 PolarHBondContact O-N 3.38Å; L289-A292 PolarHBondContact O-N 3.09Å; A292-Y294 PolarHBondContact O-N 3.45Å; A292-F296 VanDerWaalsContact O-CB 3.22Å; A292-F296 WeakPolarHBondContact O-CB 3.35Å; A292-F296 PolarHBondContact O-N 2.93Å
293I73.7Confident70.7Confident71 Ų7147.7 Ų47.736%0.36427%0.271SS..Hα-helixtrans-59.3-45.5176-74.7165.5000111.5L75 L289 K290 G291 F296 K297L75-I293 HydrophobicContact CD2-CB 4.47Å; L75-I293 HydrophobicContact CD2-CG1 4.4Å; L75-I293 HydrophobicContact CD2-CG2 3.53Å; L289-I293 HydrophobicContact CG-CD1 4.33Å; L289-I293 VanDerWaalsContact O-CG1 3.29Å; L289-I293 WeakPolarHBondContact O-CG1 3.47Å; L289-I293 PolarHBondContact O-N 3.17Å; K290-I293 PolarHBondContact O-N 2.97Å; G291-I293 VanDerWaalsContact C-N 3.34Å; G291-I293 PolarHBondContact O-N 2.82Å; I293-F296 PolarHBondContact O-N 2.76Å; I293-K297 PolarHBondContact O-N 3.41Å
294Y72.6Confident71.5Confident48 Ų4846 Ų4619%0.18826%0.258CS..Hα-helixtrans-60.4-51.4180-179-101.1000112.2H284 K290 G291 A292 F296 K297 I298 E794 M883H284-Y294 AromaticContact NE2-CG 3.96Å; K290-Y294 PolarHBondContact O-N 3.04Å; G291-Y294 PolarHBondContact O-N 2.95Å; A292-Y294 PolarHBondContact O-N 3.45Å; Y294-F296 PolarHBondContact O-N 2.74Å; Y294-K297 VanDerWaalsContact O-CB 3.32Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 2.95Å; Y294-K297 VanDerWaalsContact O-N 3.09Å; Y294-I298 HydrophobicContact CD1-CD1 4.28Å; Y294-I298 HydrophobicContact CE1-CD1 3.59Å; Y294-I298 HydrophobicContact CE1-CG1 4.32Å; Y294-I298 PolarHBondContact O-N 3.21Å; Y294-I298 VanDerWaalsContact O-N 3.09Å; Y294-E794 WeakPolarHBondContact CE2-OE1 3.39Å; Y294-E794 PolarHBondContact OH-OE1 3.06Å; Y294-M883 HydrophobicContact CD1-CE 3.47Å; Y294-M883 VanDerWaalsContact CD1-CE 3.47Å; Y294-M883 HydrophobicContact CD2-CE 4.23Å; Y294-M883 HydrophobicContact CE1-CE 3.25Å; Y294-M883 HydrophobicContact CE2-CE 4.08Å; Y294-M883 HydrophobicContact CG-CE 3.96Å
295Y74.6Confident72.5Confident19 Ų1945 Ų458%0.07525%0.253CS..Hα-helixtrans-70-23.1178.7-72.4-68.5000113.2N275 H278 F279 G291 I298 A299N275-Y295 HydrophobicContact CB-CD1 3.43Å; N275-Y295 VanDerWaalsContact CB-CD1 3.43Å; N275-Y295 HydrophobicContact CB-CD2 4.13Å; N275-Y295 HydrophobicContact CB-CE1 3.3Å; N275-Y295 HydrophobicContact CB-CE2 3.99Å; N275-Y295 HydrophobicContact CB-CG 3.84Å; N275-Y295 VanDerWaalsContact CG-CD1 3.48Å; N275-Y295 WeakPolarHBondContact OD1-CE1 3.05Å; N275-Y295 PolarHBondContact OD1-OH 3.43Å; H278-Y295 HydrophobicContact CB-CE2 4.11Å; H278-Y295 VanDerWaalsContact CB-OH 3.29Å; H278-Y295 WeakPolarHBondContact CB-OH 3.07Å; F279-Y295 AromaticContact CD1-CD2 3.4Å; F279-Y295 HydrophobicContact CD1-CD2 3.4Å; F279-Y295 VanDerWaalsContact CD1-CD2 3.4Å; F279-Y295 AromaticContact CD1-CE2 3.81Å; F279-Y295 HydrophobicContact CD1-CE2 3.81Å; F279-Y295 HydrophobicContact CD1-CG 4.29Å; F279-Y295 AromaticContact CE1-CD2 3.18Å; F279-Y295 HydrophobicContact CE1-CD2 3.18Å; F279-Y295 AromaticContact CE1-CE2 3.97Å; F279-Y295 HydrophobicContact CE1-CE2 3.97Å; F279-Y295 AromaticContact CE1-CG 3.62Å; F279-Y295 HydrophobicContact CE1-CG 3.62Å; F279-Y295 HydrophobicContact CZ-CD2 4.23Å; F279-Y295 HydrophobicContact CZ-CG 4.43Å; G291-Y295 VanDerWaalsContact O-CD2 3.27Å; G291-Y295 WeakPolarHBondContact O-CD2 3.26Å; G291-Y295 PolarHBondContact O-N 3.44Å; G291-Y295 VanDerWaalsContact O-N 3.1Å; Y295-I298 HydrophobicContact CD1-CD1 4.09Å; Y295-I298 HydrophobicContact CE1-CD1 4.35Å; Y295-A299 PolarHBondContact O-N 2.68Å; Y295-A299 VanDerWaalsContact O-N 3.08Å
296F74Confident73.8Confident103 Ų10341.9 Ų41.945%0.45222%0.22SC..Hα-helixtrans-71.5-36.9170-150.1-108.2000111.9I71 A292 I293 Y294 I298 A299 V300I71-F296 HydrophobicContact CB-CE1 4.39Å; I71-F296 HydrophobicContact CD1-CE1 3.58Å; I71-F296 HydrophobicContact CD1-CZ 4Å; I71-F296 HydrophobicContact CG1-CE1 3.96Å; I71-F296 HydrophobicContact CG2-CD1 3.66Å; I71-F296 HydrophobicContact CG2-CE1 3.54Å; A292-F296 VanDerWaalsContact O-CB 3.22Å; A292-F296 WeakPolarHBondContact O-CB 3.35Å; A292-F296 PolarHBondContact O-N 2.93Å; I293-F296 PolarHBondContact O-N 2.76Å; Y294-F296 PolarHBondContact O-N 2.74Å; F296-I298 VanDerWaalsContact C-N 3.34Å; F296-A299 WeakPolarHBondContact O-CB 3.5Å; F296-A299 PolarHBondContact O-N 3.4Å; F296-A299 VanDerWaalsContact O-N 3.14Å; F296-V300 PolarHBondContact O-N 3.43Å
297K72.4Confident75Confident70 Ų7040 Ų4030%0.30420%0.198SC..Hα-helixtrans-60.3-42.5170.7-171.7179.5-179.4175.20111.2L75 I293 Y294 A299 V300 A301L75-K297 HydrophobicContact CD1-CB 4.38Å; I293-K297 PolarHBondContact O-N 3.41Å; Y294-K297 VanDerWaalsContact O-CB 3.32Å; Y294-K297 WeakPolarHBondContact O-CB 3.47Å; Y294-K297 PolarHBondContact O-N 2.95Å; Y294-K297 VanDerWaalsContact O-N 3.09Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 2.75Å; K297-V300 PolarHBondContact O-N 2.74Å; K297-A301 PolarHBondContact O-N 3.48Å
298I75.9Confident75.7Confident12 Ų1238.3 Ų38.36%0.06219%0.187CC..Hα-helixtrans-60.7-41172.7-66.5-175.5000111.4V271 Y294 Y295 F296 V300 A301 L302 I784 A788V271-I298 HydrophobicContact CG1-CG2 4.11Å; Y294-I298 HydrophobicContact CD1-CD1 4.28Å; Y294-I298 HydrophobicContact CE1-CD1 3.59Å; Y294-I298 HydrophobicContact CE1-CG1 4.32Å; Y294-I298 PolarHBondContact O-N 3.21Å; Y294-I298 VanDerWaalsContact O-N 3.09Å; Y295-I298 HydrophobicContact CD1-CD1 4.09Å; Y295-I298 HydrophobicContact CE1-CD1 4.35Å; F296-I298 VanDerWaalsContact C-N 3.34Å; I298-V300 VanDerWaalsContact C-N 3.33Å; I298-V300 PolarHBondContact O-N 2.76Å; I298-A301 PolarHBondContact O-N 2.83Å; I298-L302 WeakPolarHBondContact O-CB 3.48Å; I298-L302 PolarHBondContact O-N 2.82Å; I298-I784 HydrophobicContact CG2-CG2 4.06Å; I298-A788 HydrophobicContact CD1-CB 4.08Å; I298-A788 HydrophobicContact CG2-CB 3.94Å
299A75.3Confident75.9Confident22 Ų2232.5 Ų32.518%0.18217%0.165CC..Hα-helixtrans-63.7-37.617700000112.4Y295 F296 K297 L302 A303Y295-A299 PolarHBondContact O-N 2.68Å; Y295-A299 VanDerWaalsContact O-N 3.08Å; F296-A299 WeakPolarHBondContact O-CB 3.5Å; F296-A299 PolarHBondContact O-N 3.4Å; F296-A299 VanDerWaalsContact O-N 3.14Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 2.75Å; A299-L302 PolarHBondContact O-N 3.27Å; A299-A303 WeakPolarHBondContact O-CB 3.22Å; A299-A303 PolarHBondContact O-N 3.03Å
300V72.9Confident76.3Confident6 Ų626.8 Ų26.84%0.03614%0.135CC..Hα-helixtrans-64.5-48.1172.8171.90000110.8A68 I71 F296 K297 I298 L302 A303 V304A68-V300 HydrophobicContact CB-CG1 4.07Å; I71-V300 HydrophobicContact CB-CG2 4.21Å; I71-V300 HydrophobicContact CG2-CG2 3.66Å; F296-V300 PolarHBondContact O-N 3.43Å; K297-V300 PolarHBondContact O-N 2.74Å; I298-V300 VanDerWaalsContact C-N 3.33Å; I298-V300 PolarHBondContact O-N 2.76Å; V300-L302 VanDerWaalsContact C-N 3.27Å; V300-L302 PolarHBondContact O-N 3.2Å; V300-A303 WeakPolarHBondContact O-CB 3.45Å; V300-A303 PolarHBondContact O-N 3.38Å; V300-A303 VanDerWaalsContact O-N 3.12Å; V300-V304 WeakPolarHBondContact O-CG2 3.43Å; V300-V304 PolarHBondContact O-N 2.82Å
301A74.6Confident77Confident10 Ų1021.3 Ų21.38%0.08311%0.112CC..Hα-helixtrans-57.4-42176.700000112K297 I298 V304 A305 I784 P798K297-A301 PolarHBondContact O-N 3.48Å; I298-A301 PolarHBondContact O-N 2.83Å; A301-V304 PolarHBondContact O-N 3.04Å; A301-A305 WeakPolarHBondContact O-CB 3.43Å; A301-A305 PolarHBondContact O-N 3.36Å; A301-I784 HydrophobicContact CB-CD1 4.29Å; A301-P798 HydrophobicContact CB-CG 3.67Å
302L79.7Confident77.2Confident1 Ų124.4 Ų24.41%0.00513%0.132CC..Hα-helixtrans-65.5-40176.6-168.2106.3000112.3I267 C268 I298 A299 V300 A305 A306 V781 I784I267-L302 HydrophobicContact CB-CD2 3.93Å; I267-L302 HydrophobicContact CG2-CD1 4.01Å; I267-L302 HydrophobicContact CG2-CD2 3.5Å; I267-L302 VanDerWaalsContact CG2-CD2 3.5Å; I267-L302 HydrophobicContact CG2-CG 4.34Å; C268-L302 VanDerWaalsContact SG-CD2 3.57Å; I298-L302 WeakPolarHBondContact O-CB 3.48Å; I298-L302 PolarHBondContact O-N 2.82Å; A299-L302 PolarHBondContact O-N 3.27Å; V300-L302 VanDerWaalsContact C-N 3.27Å; V300-L302 PolarHBondContact O-N 3.2Å; L302-A305 PolarHBondContact O-N 3.23Å; L302-A306 WeakPolarHBondContact O-CB 3.43Å; L302-A306 PolarHBondContact O-N 3.35Å; L302-A306 VanDerWaalsContact O-N 3.1Å; L302-V781 HydrophobicContact CD1-CG1 4.21Å; L302-I784 HydrophobicContact CB-CG2 4.27Å; L302-I784 HydrophobicContact CD1-CB 4.1Å; L302-I784 HydrophobicContact CD1-CG2 3.79Å
303A77.7Confident77.6Confident11 Ų1124.4 Ų24.49%0.09113%0.133CC..Hα-helixtrans-63.6-42.7176.500000111.6I64 I264 A299 V300 A306 I307I64-A303 HydrophobicContact CG2-CB 4.31Å; I264-A303 HydrophobicContact CG2-CB 4.29Å; A299-A303 WeakPolarHBondContact O-CB 3.22Å; A299-A303 PolarHBondContact O-N 3.03Å; V300-A303 WeakPolarHBondContact O-CB 3.45Å; V300-A303 PolarHBondContact O-N 3.38Å; V300-A303 VanDerWaalsContact O-N 3.12Å; A303-A306 PolarHBondContact O-N 3.16Å; A303-I307 WeakPolarHBondContact O-CG1 3.29Å
304V75.2Confident78.2Confident1 Ų121.2 Ų21.21%0.00612%0.116CC..Hα-helixtrans-63.6-48.8175.5172.70000110.9I94 V300 A301 A306 I307 L802I94-V304 HydrophobicContact CD1-CG2 4.19Å; V300-V304 WeakPolarHBondContact O-CG2 3.43Å; V300-V304 PolarHBondContact O-N 2.82Å; A301-V304 PolarHBondContact O-N 3.04Å; V304-A306 PolarHBondContact O-N 3.22Å; V304-A306 VanDerWaalsContact O-N 3.16Å; V304-I307 PolarHBondContact O-N 2.95Å; V304-L802 HydrophobicContact CG1-CD2 3.44Å; V304-L802 VanDerWaalsContact CG1-CD2 3.44Å; V304-L802 HydrophobicContact CG1-CG 3.86Å
305A80.2Confident78.9Confident0 Ų019.6 Ų19.60%011%0.111CC..Hα-helixtrans-58.6-30.3179.100000113.8A301 L302 N777 E780 V781 I784 L801A301-A305 WeakPolarHBondContact O-CB 3.43Å; A301-A305 PolarHBondContact O-N 3.36Å; L302-A305 PolarHBondContact O-N 3.23Å; A305-N777 PolarHBondContact O-ND2 2.72Å; A305-E780 HydrophobicContact CB-CB 4.04Å; A305-V781 HydrophobicContact CB-CG2 4.41Å; A305-I784 HydrophobicContact CB-CD1 3.47Å; A305-I784 VanDerWaalsContact CB-CD1 3.47Å; A305-L801 HydrophobicContact CB-CD1 3.78Å
306A82.9Confident79.2Confident6 Ų619.7 Ų19.75%0.0511%0.114CC..Hα-helixtrans-82.7-20.4-176.600000113.7L260 I264 L302 A303 V304 V781L260-A306 WeakPolarHBondContact CD2-O 3.19Å; I264-A306 HydrophobicContact CD1-CB 3.47Å; I264-A306 VanDerWaalsContact CD1-CB 3.47Å; I264-A306 HydrophobicContact CG1-CB 3.37Å; L302-A306 WeakPolarHBondContact O-CB 3.43Å; L302-A306 PolarHBondContact O-N 3.35Å; L302-A306 VanDerWaalsContact O-N 3.1Å; A303-A306 PolarHBondContact O-N 3.16Å; V304-A306 PolarHBondContact O-N 3.22Å; V304-A306 VanDerWaalsContact O-N 3.16Å; A306-V781 HydrophobicContact CB-CG2 3.61Å
307I81.7Confident79.8Confident7 Ų717.7 Ų17.74%0.03611%0.11CC..SBendtrans-95122.2-173.7-62168.2000109.7L61 I64 L65 I264 A303 V304 E309 N777L61-I307 HydrophobicContact CD2-CG1 4.45Å; I64-I307 HydrophobicContact CG2-CD1 4.08Å; L65-I307 HydrophobicContact CD1-CB 4.25Å; L65-I307 HydrophobicContact CD1-CD1 3.78Å; L65-I307 HydrophobicContact CD1-CG2 3.69Å; L65-I307 HydrophobicContact CG-CD1 3.78Å; I264-I307 HydrophobicContact CD1-CG1 3.87Å; A303-I307 WeakPolarHBondContact O-CG1 3.29Å; V304-I307 PolarHBondContact O-N 2.95Å; I307-E309 VanDerWaalsContact C-N 3.3Å; I307-E309 HydrophobicContact CG2-CG 4.25Å; I307-E309 PolarHBondContact O-N 2.87Å; I307-N777 PolarHBondContact O-ND2 2.83Å
308P82.4Confident80.5Confident12 Ų1214.4 Ų14.48%0.07810%0.096CC..  trans-78.978.5177.832.6-35.6000110.5F256 G310 L311F256-P308 HydrophobicContact CE1-CG 4.4Å; P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 3.35Å; P308-L311 HydrophobicContact CB-CB 4.07Å; P308-L311 HydrophobicContact CG-CB 4.26Å; P308-L311 HydrophobicContact CG-CD2 4.14Å; P308-L311 WeakPolarHBondContact O-CB 3.29Å; P308-L311 PolarHBondContact O-N 3.43Å
309E79.5Confident81Confident4 Ų414.3 Ų14.32%0.01910%0.095CC..THydrogen-bonded Turntrans-62.4-31.1-172.2-64.4152.4160.100113.9L65 I97 I307 L311 P312 L802L65-E309 HydrophobicContact CD1-CG 4.23Å; I97-E309 HydrophobicContact CG2-CB 4.36Å; I307-E309 VanDerWaalsContact C-N 3.3Å; I307-E309 HydrophobicContact CG2-CG 4.25Å; I307-E309 PolarHBondContact O-N 2.87Å; E309-L311 PolarHBondContact O-N 2.91Å; E309-P312 WeakPolarHBondContact O-CD 3.49Å; E309-L802 WeakPolarHBondContact OE1-CD2 3.49Å; E309-L802 WeakPolarHBondContact OE2-CD2 3.49Å
310G79.8Confident81.5Confident2 Ų215.3 Ų15.32%0.02110%0.103CC..THydrogen-bonded Turntrans-72.3-14.2175.900000113.5P308 A313 V314P308-G310 VanDerWaalsContact C-N 3.27Å; P308-G310 PolarHBondContact O-N 3.35Å; G310-A313 PolarHBondContact O-N 3.08Å; G310-V314 WeakPolarHBondContact O-CG2 3.37Å; G310-V314 PolarHBondContact O-N 2.99Å
311L83.3Confident82Confident14 Ų1417.2 Ų17.27%0.07311%0.113CC..Hα-helixtrans-61.1-47.5-170.5-178.265.4000113.6L253 P308 E309 A313 V314 I315 F769 I770 L773L253-L311 HydrophobicContact CD2-CD2 4.18Å; P308-L311 HydrophobicContact CB-CB 4.07Å; P308-L311 HydrophobicContact CG-CB 4.26Å; P308-L311 HydrophobicContact CG-CD2 4.14Å; P308-L311 WeakPolarHBondContact O-CB 3.29Å; P308-L311 PolarHBondContact O-N 3.43Å; E309-L311 PolarHBondContact O-N 2.91Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.26Å; L311-V314 PolarHBondContact O-N 3.44Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.94Å; L311-I315 HydrophobicContact CD2-CD1 4.33Å; L311-I315 HydrophobicContact CG-CD1 3.73Å; L311-I315 HydrophobicContact CG-CG1 4.26Å; L311-I315 WeakPolarHBondContact O-CB 3.34Å; L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.41Å; L311-I315 PolarHBondContact O-N 2.76Å; L311-F769 HydrophobicContact CD1-CD2 4.27Å; L311-F769 HydrophobicContact CD1-CE2 3.94Å; L311-I770 HydrophobicContact CD1-CG1 3.72Å; L311-L773 HydrophobicContact CB-CD1 4.29Å; L311-L773 HydrophobicContact CD1-CD1 3.81Å
312P78.2Confident82.5Confident65 Ų6516.8 Ų16.842%0.42211%0.109SC..Hα-helixtrans-59.3-38.4177.5-23.735.3000112.8E309 T316E309-P312 WeakPolarHBondContact O-CD 3.49Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.47Å; P312-T316 PolarHBondContact O-N 2.93Å; P312-T316 PolarHBondContact O-OG1 3.08Å
313A82.1Confident82.8Confident29 Ų2917.9 Ų17.924%0.2412%0.116CC..Hα-helixtrans-68.4-43179.100000112.2G310 L311 T316 T317G310-A313 PolarHBondContact O-N 3.08Å; L311-A313 VanDerWaalsContact C-N 3.28Å; L311-A313 PolarHBondContact O-N 3.26Å; A313-T316 PolarHBondContact O-N 3.12Å; A313-T317 WeakPolarHBondContact O-CB 3.42Å; A313-T317 PolarHBondContact O-N 3.34Å; A313-T317 PolarHBondContact O-OG1 3.47Å
314V87.9Confident83.1Confident4 Ų426.5 Ų26.52%0.02415%0.146CC..Hα-helixtrans-66-46.4177.5175.60000111G310 L311 T316 T317 C318 F769 A813G310-V314 WeakPolarHBondContact O-CG2 3.37Å; G310-V314 PolarHBondContact O-N 2.99Å; L311-V314 PolarHBondContact O-N 3.44Å; V314-T316 VanDerWaalsContact C-N 3.33Å; V314-T316 PolarHBondContact O-N 3.11Å; V314-T317 PolarHBondContact O-N 3.2Å; V314-C318 WeakPolarHBondContact O-CB 3.33Å; V314-C318 PolarHBondContact O-N 3.42Å; V314-F769 HydrophobicContact CB-CE2 4.44Å; V314-F769 HydrophobicContact CG1-CD1 4.24Å; V314-F769 HydrophobicContact CG1-CD2 3.67Å; V314-F769 HydrophobicContact CG1-CE1 4.18Å; V314-F769 HydrophobicContact CG1-CE2 3.71Å; V314-F769 HydrophobicContact CG1-CG 4.01Å; V314-F769 HydrophobicContact CG1-CZ 3.97Å; V314-A813 HydrophobicContact CG1-CB 3.9Å; V314-A813 HydrophobicContact CG2-CB 4.02Å
315I85.8Confident83.6Confident13 Ų1329.8 Ų29.87%0.06716%0.159CC..Hα-helixtrans-57.6-49.3175.8-68.6173.9000109.8L249 L253 L311 T317 C318 L319 M766 F769L249-I315 HydrophobicContact CD2-CG2 4.43Å; L253-I315 HydrophobicContact CD1-CD1 3.77Å; L253-I315 HydrophobicContact CD2-CD1 3.95Å; L311-I315 HydrophobicContact CD1-CD1 3.81Å; L311-I315 HydrophobicContact CD1-CG1 3.94Å; L311-I315 HydrophobicContact CD2-CD1 4.33Å; L311-I315 HydrophobicContact CG-CD1 3.73Å; L311-I315 HydrophobicContact CG-CG1 4.26Å; L311-I315 WeakPolarHBondContact O-CB 3.34Å; L311-I315 VanDerWaalsContact O-CG1 3.3Å; L311-I315 WeakPolarHBondContact O-CG1 3.41Å; L311-I315 PolarHBondContact O-N 2.76Å; I315-T317 VanDerWaalsContact C-N 3.31Å; I315-T317 PolarHBondContact O-N 3.07Å; I315-C318 PolarHBondContact O-N 3.43Å; I315-L319 HydrophobicContact CG2-CD1 3.68Å; I315-L319 HydrophobicContact CG2-CG 4.17Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.42Å; I315-L319 PolarHBondContact O-N 2.89Å; I315-M766 HydrophobicContact CG2-SD 4.38Å; I315-F769 HydrophobicContact CB-CZ 4.48Å; I315-F769 HydrophobicContact CG1-CE2 3.67Å; I315-F769 HydrophobicContact CG1-CZ 3.79Å
316T82.6Confident84Confident22 Ų2229.9 Ų29.914%0.13516%0.159CC..Hα-helixtrans-57-46.6179.6-63.20000111.6I104 Q108 P312 A313 V314 L319 A320I104-T316 HydrophobicContact CG2-CG2 4.31Å; Q108-T316 PolarHBondContact NE2-OG1 2.96Å; P312-T316 VanDerWaalsContact O-CB 3.28Å; P312-T316 WeakPolarHBondContact O-CB 3.47Å; P312-T316 PolarHBondContact O-N 2.93Å; P312-T316 PolarHBondContact O-OG1 3.08Å; A313-T316 PolarHBondContact O-N 3.12Å; V314-T316 VanDerWaalsContact C-N 3.33Å; V314-T316 PolarHBondContact O-N 3.11Å; T316-L319 PolarHBondContact O-N 2.97Å; T316-A320 VanDerWaalsContact O-CB 3.28Å; T316-A320 WeakPolarHBondContact O-CB 3.34Å; T316-A320 PolarHBondContact O-N 2.97Å
317T85.4Confident84.2Confident60 Ų6031.8 Ų31.837%0.36818%0.175SC..Hα-helixtrans-67-41.5-178.8-61.90000110.8A313 V314 I315 A320 L321 T814A313-T317 WeakPolarHBondContact O-CB 3.42Å; A313-T317 PolarHBondContact O-N 3.34Å; A313-T317 PolarHBondContact O-OG1 3.47Å; V314-T317 PolarHBondContact O-N 3.2Å; I315-T317 VanDerWaalsContact C-N 3.31Å; I315-T317 PolarHBondContact O-N 3.07Å; T317-A320 PolarHBondContact O-N 2.87Å; T317-L321 HydrophobicContact CG2-CD1 3.84Å; T317-L321 HydrophobicContact CG2-CG 4.48Å; T317-L321 WeakPolarHBondContact O-CB 3.32Å; T317-L321 VanDerWaalsContact O-CD1 3.32Å; T317-L321 WeakPolarHBondContact O-CD1 3.45Å; T317-L321 WeakPolarHBondContact O-CG 3.13Å; T317-L321 PolarHBondContact O-N 3.04Å; T317-T814 HydrophobicContact CG2-CG2 3.67Å
318C87.3Confident84.5Confident2 Ų235.5 Ų35.51%0.01421%0.207CC..Hα-helixtrans-61.1-47.3175.6-171.10000112.1V314 I315 L321 G322 F769V314-C318 WeakPolarHBondContact O-CB 3.33Å; V314-C318 PolarHBondContact O-N 3.42Å; I315-C318 PolarHBondContact O-N 3.43Å; C318-L321 PolarHBondContact O-N 3.49Å; C318-G322 PolarHBondContact O-N 3.36Å; C318-F769 HydrophobicContact CB-CE1 3.83Å; C318-F769 HydrophobicContact CB-CZ 4.26Å
319L87Confident84.7Confident9 Ų938.4 Ų38.45%0.04722%0.218CC..Hα-helixtrans-65.2-39.4178-66.1174.2000112I315 T316 G322 T323 L336 V339 I762 M766I315-L319 HydrophobicContact CG2-CD1 3.68Å; I315-L319 HydrophobicContact CG2-CG 4.17Å; I315-L319 VanDerWaalsContact O-CG 3.31Å; I315-L319 WeakPolarHBondContact O-CG 3.42Å; I315-L319 PolarHBondContact O-N 2.89Å; T316-L319 PolarHBondContact O-N 2.97Å; L319-G322 PolarHBondContact O-N 2.92Å; L319-T323 WeakPolarHBondContact O-CB 3.48Å; L319-T323 PolarHBondContact O-N 3.18Å; L319-T323 PolarHBondContact O-OG1 3.25Å; L319-L336 HydrophobicContact CB-CB 4.14Å; L319-L336 HydrophobicContact CD1-CB 4.42Å; L319-V339 HydrophobicContact CD2-CB 4.08Å; L319-V339 HydrophobicContact CD2-CG1 4.19Å; L319-I762 HydrophobicContact CD2-CG2 4.19Å; L319-M766 HydrophobicContact CD2-CE 4.28Å; L319-M766 HydrophobicContact CD2-SD 3.85Å; L319-M766 HydrophobicContact CG-SD 4.29Å
320A84.6Confident85.2Confident43 Ų4341.4 Ų41.436%0.35523%0.234SC..Hα-helixtrans-64.4-42.1176.500000112T316 T317 T323 R324 L336T316-A320 VanDerWaalsContact O-CB 3.28Å; T316-A320 WeakPolarHBondContact O-CB 3.34Å; T316-A320 PolarHBondContact O-N 2.97Å; T317-A320 PolarHBondContact O-N 2.87Å; A320-T323 WeakPolarHBondContact O-CB 3.49Å; A320-T323 PolarHBondContact O-N 3.29Å; A320-R324 PolarHBondContact O-N 3.04Å; A320-L336 HydrophobicContact CB-CD2 4.39Å
321L84.2Confident85.7Confident47 Ų4741.4 Ų41.425%0.24623%0.234CC..Hα-helixtrans-66.8-39.3174.3-70.6162.9000112T317 C318 R324 R325 F818T317-L321 HydrophobicContact CG2-CD1 3.84Å; T317-L321 HydrophobicContact CG2-CG 4.48Å; T317-L321 WeakPolarHBondContact O-CB 3.32Å; T317-L321 VanDerWaalsContact O-CD1 3.32Å; T317-L321 WeakPolarHBondContact O-CD1 3.45Å; T317-L321 WeakPolarHBondContact O-CG 3.13Å; T317-L321 PolarHBondContact O-N 3.04Å; C318-L321 PolarHBondContact O-N 3.49Å; L321-R324 PolarHBondContact O-N 2.96Å; L321-R325 PolarHBondContact O-N 3.31Å; L321-F818 HydrophobicContact CD1-CE1 4.09Å; L321-F818 HydrophobicContact CD1-CE2 3.53Å; L321-F818 HydrophobicContact CD1-CZ 3.23Å; L321-F818 HydrophobicContact CD2-CE1 4.31Å; L321-F818 HydrophobicContact CD2-CZ 3.84Å; L321-F818 HydrophobicContact CG-CZ 4.05Å
322G84.9Confident86.1Confident0 Ų044.6 Ų44.60%025%0.25CS..Hα-helixtrans-58.7-47.4172.300000112.3C318 L319 R324 R325 M326 I762C318-G322 PolarHBondContact O-N 3.36Å; L319-G322 PolarHBondContact O-N 2.92Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 3.31Å; G322-R325 WeakPolarHBondContact O-CB 3.16Å; G322-R325 PolarHBondContact O-N 3.13Å; G322-R325 VanDerWaalsContact O-N 3.07Å; G322-M326 WeakPolarHBondContact O-CG 3.38Å; G322-M326 PolarHBondContact O-N 2.82Å; G322-I762 VanDerWaalsContact CA-CD1 3.44Å
323T85.6Confident86.6Confident24 Ų2442.2 Ų42.215%0.14723%0.234CC..Hα-helixtrans-57.6-42.4175.2-60.10000111.4L319 A320 R325 M326 A327 V333 L336 V339L319-T323 WeakPolarHBondContact O-CB 3.48Å; L319-T323 PolarHBondContact O-N 3.18Å; L319-T323 PolarHBondContact O-OG1 3.25Å; A320-T323 WeakPolarHBondContact O-CB 3.49Å; A320-T323 PolarHBondContact O-N 3.29Å; T323-R325 PolarHBondContact O-N 3.09Å; T323-M326 PolarHBondContact O-N 3.24Å; T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 3.46Å; T323-V333 HydrophobicContact CG2-CB 3.89Å; T323-V333 HydrophobicContact CG2-CG2 4.39Å; T323-L336 VanDerWaalsContact OG1-CD2 3.31Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.48Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.37Å
324R84Confident86.6Confident193 Ų19345 Ų4573%0.72824%0.239SC*.Hα-helixtrans-64.1-39175.8-172.7178.9174-175.5-1.4112.6A320 L321 G322 A327 A328A320-R324 PolarHBondContact O-N 3.04Å; L321-R324 PolarHBondContact O-N 2.96Å; G322-R324 VanDerWaalsContact C-N 3.29Å; G322-R324 PolarHBondContact O-N 3.31Å; R324-A327 PolarHBondContact O-N 2.82Å; R324-A328 PolarHBondContact O-N 2.89Å
325R86.4Confident86.1Confident70 Ų7046.7 Ų46.726%0.26425%0.251SS..Hα-helixtrans-66.5-41.2174.8-76.2-174.1-80.4169.8-14.6112.1L321 G322 T323 A328 K329 E758 G817L321-R325 PolarHBondContact O-N 3.31Å; G322-R325 WeakPolarHBondContact O-CB 3.16Å; G322-R325 PolarHBondContact O-N 3.13Å; G322-R325 VanDerWaalsContact O-N 3.07Å; T323-R325 PolarHBondContact O-N 3.09Å; R325-A328 PolarHBondContact O-N 2.91Å; R325-K329 PolarHBondContact O-N 3.46Å; R325-E758 WeakPolarHBondContact CD-OE1 3.15Å; R325-E758 IonicContact CZ-OE1 2.71Å; R325-E758 IonicContact NE-OE1 3.69Å; R325-E758 PolarHBondContact NE-OE1 3.2Å; R325-E758 IonicContact NH1-OE1 3.04Å; R325-E758 PolarHBondContact NH1-OE1 3Å; R325-G817 PolarHBondContact NH2-O 3.18Å
326M88.3Confident85.9Confident1 Ų148 Ų481%0.00526%0.258CS..Hα-helixtrans-64.2-41.7174.7-71.6-175.7179.300111.8G322 T323 A328 K329 N330 A331 V333 V339 M742 A755 E758 I762G322-M326 WeakPolarHBondContact O-CG 3.38Å; G322-M326 PolarHBondContact O-N 2.82Å; T323-M326 PolarHBondContact O-N 3.24Å; M326-A328 VanDerWaalsContact C-N 3.26Å; M326-A328 PolarHBondContact O-N 3.4Å; M326-K329 CarbonylContact O-C 3.52Å; M326-K329 VanDerWaalsContact O-C 3.27Å; M326-K329 VanDerWaalsContact O-CA 3.3Å; M326-K329 WeakPolarHBondContact O-CA 3.48Å; M326-K329 WeakPolarHBondContact O-CB 3.07Å; M326-K329 PolarHBondContact O-N 2.99Å; M326-N330 PolarHBondContact O-N 3.05Å; M326-A331 CarbonylContact C-O 3.58Å; M326-A331 HydrophobicContact CB-CB 4.17Å; M326-A331 WeakPolarHBondContact CB-O 3.35Å; M326-A331 PolarHBondContact O-N 3.17Å; M326-V333 HydrophobicContact CB-CG2 4.15Å; M326-V333 HydrophobicContact SD-CG2 3.51Å; M326-V333 VanDerWaalsContact SD-CG2 3.51Å; M326-V339 HydrophobicContact CE-CB 4.29Å; M326-V339 HydrophobicContact CE-CG1 3.62Å; M326-V339 HydrophobicContact CE-CG2 4.5Å; M326-V339 HydrophobicContact SD-CG1 4.25Å; M326-V339 HydrophobicContact SD-CG2 4.14Å; M326-M742 HydrophobicContact SD-CE 4.01Å; M326-A755 WeakPolarHBondContact CE-O 3.03Å; M326-A755 HydrophobicContact SD-CB 4.44Å; M326-E758 HydrophobicContact CE-CB 3.83Å; M326-E758 HydrophobicContact CE-CG 4.05Å; M326-E758 HydrophobicContact CG-CB 4.23Å; M326-E758 HydrophobicContact CG-CG 4Å; M326-I762 HydrophobicContact CE-CD1 4.21Å
327A87.1Confident85.8Confident46 Ų4648.1 Ų48.138%0.3826%0.259SS..Hα-helixtrans-60.8-36.317700000112.1T323 R324 K329 N330 A331T323-A327 WeakPolarHBondContact O-CB 3.39Å; T323-A327 PolarHBondContact O-N 3.46Å; R324-A327 PolarHBondContact O-N 2.82Å; A327-K329 PolarHBondContact O-N 3.26Å; A327-N330 PolarHBondContact O-N 3.16Å; A327-N330 VanDerWaalsContact O-N 3.09Å; A327-A331 WeakPolarHBondContact CA-O 3.42Å; A327-A331 PolarHBondContact N-O 3.41Å; A327-A331 VanDerWaalsContact N-O 3.11Å
328A87.6Confident85.8Confident86 Ų8645.4 Ų45.471%0.71124%0.242SC*.Hα-helixtrans-66.4-19.117300000113.6R324 R325 M326R324-A328 PolarHBondContact O-N 2.89Å; R325-A328 PolarHBondContact O-N 2.91Å; M326-A328 VanDerWaalsContact C-N 3.26Å; M326-A328 PolarHBondContact O-N 3.4Å
329K86.6Confident85.8Confident72 Ų7245.3 Ų45.331%0.31324%0.241SC..THydrogen-bonded Turntrans-100.625172.6-62176.5174.2176.60112R325 M326 A327 A331 L754 E758R325-K329 PolarHBondContact O-N 3.46Å; M326-K329 CarbonylContact O-C 3.52Å; M326-K329 VanDerWaalsContact O-C 3.27Å; M326-K329 VanDerWaalsContact O-CA 3.3Å; M326-K329 WeakPolarHBondContact O-CA 3.48Å; M326-K329 WeakPolarHBondContact O-CB 3.07Å; M326-K329 PolarHBondContact O-N 2.99Å; A327-K329 PolarHBondContact O-N 3.26Å; K329-A331 PolarHBondContact O-N 2.92Å; K329-L754 HydrophobicContact CD-CB 4.28Å; K329-E758 IonicContact NZ-OE2 3.87Å; K329-E758 PolarHBondContact NZ-OE2 3.34Å
330N90Very high85.8Confident68 Ų6844.9 Ų44.936%0.36424%0.239SC..THydrogen-bonded Turntrans62.914.9-179.9-54-39.3000115.8M326 A327 L744 A745 D746M326-N330 PolarHBondContact O-N 3.05Å; A327-N330 PolarHBondContact O-N 3.16Å; A327-N330 VanDerWaalsContact O-N 3.09Å; N330-L744 CarbonylContact O-C 3.54Å; N330-A745 HydrophobicContact CB-CB 4.21Å; N330-A745 PolarHBondContact O-N 3.05Å; N330-D746 HydrophobicContact CB-CB 3.94Å; N330-D746 VanDerWaalsContact CB-CG 3.43Å; N330-D746 PolarHBondContact ND2-OD2 3.19Å
331A91.9Very high85.9Confident1 Ų142.9 Ų42.91%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-106.199.1175.100000110M326 A327 K329 V333 M742 A755M326-A331 CarbonylContact C-O 3.58Å; M326-A331 HydrophobicContact CB-CB 4.17Å; M326-A331 WeakPolarHBondContact CB-O 3.35Å; M326-A331 PolarHBondContact O-N 3.17Å; A327-A331 WeakPolarHBondContact CA-O 3.42Å; A327-A331 PolarHBondContact N-O 3.41Å; A327-A331 VanDerWaalsContact N-O 3.11Å; K329-A331 PolarHBondContact O-N 2.92Å; A331-V333 PolarHBondContact O-N 3.41Å; A331-M742 HydrophobicContact CB-CE 4.16Å; A331-M742 HydrophobicContact CB-CG 4.48Å; A331-M742 HydrophobicContact CB-SD 3.95Å; A331-A755 HydrophobicContact CB-CB 4Å
332I91.2Very high86.2Confident82 Ų8240.7 Ų40.742%0.42121%0.211SC..EExtended strand (participates in β ladder)trans-86.3108.2-178.8-57174.3000108.6M742 V743 A745I332-M742 CarbonylContact O-C 3.57Å; I332-M742 WeakPolarHBondContact O-CA 3.37Å; I332-V743 HydrophobicContact CB-CB 4.34Å; I332-V743 PolarHBondContact N-O 3.29Å; I332-V743 PolarHBondContact O-N 3.29Å; I332-A745 HydrophobicContact CD1-CB 3.96Å; I332-A745 HydrophobicContact CG1-CB 4.32Å
333V87.7Confident86.3Confident14 Ų1440.9 Ų40.99%0.08521%0.213CC..EExtended strand (participates in β ladder)trans-88128.1176.8-161.80000110.1T323 M326 A331 S335 V339 M742T323-V333 HydrophobicContact CG2-CB 3.89Å; T323-V333 HydrophobicContact CG2-CG2 4.39Å; M326-V333 HydrophobicContact CB-CG2 4.15Å; M326-V333 HydrophobicContact SD-CG2 3.51Å; M326-V333 VanDerWaalsContact SD-CG2 3.51Å; A331-V333 PolarHBondContact O-N 3.41Å; V333-S335 WeakPolarHBondContact CG1-O 3.43Å; V333-V339 HydrophobicContact CB-CG2 4.22Å; V333-V339 HydrophobicContact CG1-CG2 3.93Å; V333-V339 HydrophobicContact CG2-CG2 4.04Å; V333-M742 HydrophobicContact CG2-CE 3.7Å
334R82.9Confident86.6Confident89 Ų8939.8 Ų39.834%0.33621%0.207SC..SBendtrans-90.6-32.8178.2-66.8-172.856.8148.8-1.1112.5S114 K737 S738 A740 D741S114-R334 PolarHBondContact OG-NH2 3.11Å; R334-K737 VanDerWaalsContact CD-O 3.23Å; R334-K737 WeakPolarHBondContact CD-O 3.38Å; R334-K737 PolarHBondContact NH1-O 3.38Å; R334-S738 PolarHBondContact NH1-OG 3.21Å; R334-A740 WeakPolarHBondContact CD-O 3.5Å; R334-D741 WeakPolarHBondContact CB-O 3.08Å; R334-D741 PolarHBondContact N-O 3.09Å
335S77.6Confident87.1Confident39 Ų3930.6 Ų30.627%0.27317%0.172SC..SBendtrans-114.4118.2-180175.90000110.4V333 P337 S338V333-S335 WeakPolarHBondContact CG1-O 3.43Å; S335-P337 WeakPolarHBondContact OG-CD 3.4Å; S335-S338 WeakPolarHBondContact CB-OG 3.39Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 3.32Å; S335-S338 VanDerWaalsContact O-N 3.12Å; S335-S338 PolarHBondContact OG-OG 3.32Å
336L80.4Confident87.4Confident40 Ų4027.9 Ų27.921%0.20916%0.163CC..THydrogen-bonded Turntrans-57.5-43.4-175.7-67.3178.1000113.2Q108 L319 A320 T323 S338 V339Q108-L336 HydrophobicContact CG-CD1 4.47Å; L319-L336 HydrophobicContact CB-CB 4.14Å; L319-L336 HydrophobicContact CD1-CB 4.42Å; A320-L336 HydrophobicContact CB-CD2 4.39Å; T323-L336 VanDerWaalsContact OG1-CD2 3.31Å; T323-L336 WeakPolarHBondContact OG1-CD2 3.48Å; L336-S338 PolarHBondContact O-N 3.1Å; L336-V339 WeakPolarHBondContact O-CB 3.21Å; L336-V339 WeakPolarHBondContact O-CG2 3.41Å; L336-V339 PolarHBondContact O-N 3.4Å
337P81.1Confident87.8Confident24 Ų2427.8 Ų27.816%0.15616%0.163CC..THydrogen-bonded Turntrans-60.3-28.9177.1-26.837.5000114.3T247 S335 V339 E340 T341T247-P337 HydrophobicContact CG2-CB 3.53Å; S335-P337 WeakPolarHBondContact OG-CD 3.4Å; P337-V339 PolarHBondContact O-N 2.71Å; P337-V339 VanDerWaalsContact O-N 3.15Å; P337-E340 PolarHBondContact O-N 3.04Å; P337-T341 PolarHBondContact O-N 3.32Å; P337-T341 PolarHBondContact O-OG1 2.91Å
338S86.3Confident88.3Confident3 Ų325.6 Ų25.62%0.02115%0.145CC..Hα-helixtrans-66.5-18.8-176.6-49.20000113.2S335 L336 E340 T341 L342 D741S335-S338 WeakPolarHBondContact CB-OG 3.39Å; S335-S338 WeakPolarHBondContact O-CB 3.38Å; S335-S338 PolarHBondContact O-N 3.32Å; S335-S338 VanDerWaalsContact O-N 3.12Å; S335-S338 PolarHBondContact OG-OG 3.32Å; L336-S338 PolarHBondContact O-N 3.1Å; S338-E340 VanDerWaalsContact C-N 3.27Å; S338-E340 PolarHBondContact O-N 3.5Å; S338-T341 PolarHBondContact O-N 2.98Å; S338-L342 PolarHBondContact O-N 3.36Å; S338-D741 WeakPolarHBondContact OG-CB 3.3Å; S338-D741 PolarHBondContact OG-OD1 2.93Å; S338-D741 VanDerWaalsContact OG-OD1 3.12Å
339V87.1Confident88.7Confident0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-56.4-40.9169.6172.90000111.5L319 T323 M326 V333 L336 P337 G759 I762L319-V339 HydrophobicContact CD2-CB 4.08Å; L319-V339 HydrophobicContact CD2-CG1 4.19Å; T323-V339 WeakPolarHBondContact OG1-CG2 3.37Å; M326-V339 HydrophobicContact CE-CB 4.29Å; M326-V339 HydrophobicContact CE-CG1 3.62Å; M326-V339 HydrophobicContact CE-CG2 4.5Å; M326-V339 HydrophobicContact SD-CG1 4.25Å; M326-V339 HydrophobicContact SD-CG2 4.14Å; V333-V339 HydrophobicContact CB-CG2 4.22Å; V333-V339 HydrophobicContact CG1-CG2 3.93Å; V333-V339 HydrophobicContact CG2-CG2 4.04Å; L336-V339 WeakPolarHBondContact O-CB 3.21Å; L336-V339 WeakPolarHBondContact O-CG2 3.41Å; L336-V339 PolarHBondContact O-N 3.4Å; P337-V339 PolarHBondContact O-N 2.71Å; P337-V339 VanDerWaalsContact O-N 3.15Å; V339-G759 WeakPolarHBondContact O-CA 3.3Å; V339-I762 HydrophobicContact CG1-CB 4.35Å; V339-I762 HydrophobicContact CG1-CD1 3.27Å; V339-I762 HydrophobicContact CG1-CG1 4.39Å; V339-I762 HydrophobicContact CG1-CG2 4.09Å
340E85.9Confident89Confident0 Ų018.1 Ų18.10%010%0.096CC..Hα-helixtrans-75.1-48178.6-174.6-91.2159.500111.6L249 P337 S338 L342 G343 C344 Y763 M766 R831L249-E340 HydrophobicContact CB-CG 3.98Å; L249-E340 WeakPolarHBondContact CB-OE2 3.5Å; L249-E340 HydrophobicContact CD2-CB 4.4Å; L249-E340 HydrophobicContact CD2-CG 4.23Å; L249-E340 PolarHBondContact N-OE2 3.48Å; P337-E340 PolarHBondContact O-N 3.04Å; S338-E340 VanDerWaalsContact C-N 3.27Å; S338-E340 PolarHBondContact O-N 3.5Å; E340-L342 PolarHBondContact O-N 3.47Å; E340-L342 VanDerWaalsContact O-N 3.1Å; E340-G343 PolarHBondContact O-N 2.88Å; E340-C344 PolarHBondContact OE1-SG 3.41Å; E340-Y763 HydrophobicContact CG-CD2 3.81Å; E340-Y763 VanDerWaalsContact OE1-CD2 3.24Å; E340-Y763 WeakPolarHBondContact OE1-CD2 3.39Å; E340-M766 HydrophobicContact CB-CE 3.78Å; E340-M766 HydrophobicContact CG-CE 3.51Å; E340-R831 IonicContact OE1-NH2 3.69Å; E340-R831 PolarHBondContact OE1-NH2 3.06Å; E340-R831 VanDerWaalsContact OE1-NH2 3.12Å
341T88.1Confident88.9Confident1 Ų115 Ų151%0.0068%0.08CC..Hα-helixtrans-53.4-36.4-179.6-47.10000110.3P337 S338 G343 C344 T345 V706 E724 I725P337-T341 PolarHBondContact O-N 3.32Å; P337-T341 PolarHBondContact O-OG1 2.91Å; S338-T341 PolarHBondContact O-N 2.98Å; T341-G343 PolarHBondContact O-N 3.22Å; T341-C344 WeakPolarHBondContact O-CA 3.46Å; T341-C344 PolarHBondContact O-N 2.91Å; T341-T345 PolarHBondContact O-N 2.96Å; T341-V706 HydrophobicContact CG2-CG1 3.9Å; T341-E724 HydrophobicContact CG2-CB 3.78Å; T341-I725 HydrophobicContact CG2-CD1 3.86Å; T341-I725 HydrophobicContact CG2-CG1 3.62Å
342L89.9Confident88.6Confident1 Ų115.1 Ų15.11%0.0058%0.08CC..Hα-helixtrans-57.1-36.5176.5-119.5111.1000113.5S338 E340 C344 T345 I725 M742 A755 V756S338-L342 PolarHBondContact O-N 3.36Å; E340-L342 PolarHBondContact O-N 3.47Å; E340-L342 VanDerWaalsContact O-N 3.1Å; L342-C344 PolarHBondContact O-N 2.92Å; L342-T345 WeakPolarHBondContact CA-OG1 3.33Å; L342-T345 WeakPolarHBondContact O-CB 3.2Å; L342-T345 PolarHBondContact O-N 3.09Å; L342-T345 PolarHBondContact O-OG1 3.48Å; L342-I725 HydrophobicContact CB-CD1 3.92Å; L342-I725 HydrophobicContact CD1-CD1 3.78Å; L342-I725 HydrophobicContact CD1-CG2 3.55Å; L342-I725 HydrophobicContact CG-CD1 3.7Å; L342-I725 HydrophobicContact CG-CG2 4.4Å; L342-M742 HydrophobicContact CD1-CE 3.24Å; L342-M742 HydrophobicContact CD1-SD 4.05Å; L342-M742 HydrophobicContact CD2-CE 3.74Å; L342-M742 HydrophobicContact CD2-SD 4.33Å; L342-M742 HydrophobicContact CG-CE 4.16Å; L342-A755 HydrophobicContact CD2-CB 3.35Å; L342-V756 HydrophobicContact CD2-CG2 3.9Å; L342-V756 HydrophobicContact CG-CG2 4.5Å
343G87.6Confident88Confident4 Ų411.2 Ų11.24%0.0416%0.06CC..Hα-helixtrans-66-27.1176.600000113.4E340 T341 R760E340-G343 PolarHBondContact O-N 2.88Å; T341-G343 PolarHBondContact O-N 3.22Å; G343-R760 VanDerWaalsContact O-CG 3.23Å; G343-R760 WeakPolarHBondContact O-CG 3.2Å; G343-R760 PolarHBondContact O-NE 2.99Å
344C90.6Very high87.5Confident2 Ų210.7 Ų10.71%0.0146%0.057CC..THydrogen-bonded Turntrans-90.5-2.2179.5-60.10000113.4E340 T341 L342 S346 V706 R831E340-C344 PolarHBondContact OE1-SG 3.41Å; T341-C344 WeakPolarHBondContact O-CA 3.46Å; T341-C344 PolarHBondContact O-N 2.91Å; L342-C344 PolarHBondContact O-N 2.92Å; C344-S346 PolarHBondContact O-N 2.8Å; C344-V706 HydrophobicContact CB-CG1 4.46Å; C344-V706 HydrophobicContact CB-CG2 3.94Å; C344-V706 WeakPolarHBondContact O-CB 3.3Å; C344-R831 PolarHBondContact SG-NE 3.4Å; C344-R831 VanDerWaalsContact SG-NE 3.43Å
345T94.1Very high87.3Confident0 Ų06.4 Ų6.40%04%0.041CC..  trans-52.7123-178.3-530000111.5T341 L342 I348 I628 A708 I725 P830T341-T345 PolarHBondContact O-N 2.96Å; L342-T345 WeakPolarHBondContact CA-OG1 3.33Å; L342-T345 WeakPolarHBondContact O-CB 3.2Å; L342-T345 PolarHBondContact O-N 3.09Å; L342-T345 PolarHBondContact O-OG1 3.48Å; T345-I348 HydrophobicContact CG2-CG1 3.79Å; T345-I628 WeakPolarHBondContact O-CG1 3.1Å; T345-A708 HydrophobicContact CG2-CB 3.69Å; T345-I725 WeakPolarHBondContact OG1-CD1 3.42Å; T345-P830 WeakPolarHBondContact O-CG 3.32Å
346S94.6Very high87.7Confident12 Ų124.6 Ų4.68%0.0843%0.028CC..  trans-109.4-33.6-178.561.70000112.3C344 I628 R629 E705 V706C344-S346 PolarHBondContact O-N 2.8Å; S346-I628 WeakPolarHBondContact O-CA 3.45Å; S346-R629 PolarHBondContact O-N 3.31Å; S346-E705 VanDerWaalsContact CB-OE2 3.25Å; S346-E705 WeakPolarHBondContact CB-OE2 3.4Å; S346-E705 WeakPolarHBondContact OG-CA 3.35Å; S346-E705 WeakPolarHBondContact OG-CB 3.23Å; S346-E705 PolarHBondContact OG-OE2 3.36Å; S346-V706 PolarHBondContact N-O 3.04Å; S346-V706 PolarHBondContact OG-N 2.9Å; S346-V706 PolarHBondContact OG-O 3.3Å
347V96.2Very high87.9Confident0 Ų02.7 Ų2.70%02%0.018CC..EExtended strand (participates in β ladder)trans-131.5130.6179.3-174.10000109.4R629 I631 L700 E705 V706 S707 A708V347-R629 CarbonylContact C-O 3.59Å; V347-R629 VanDerWaalsContact CA-O 3.29Å; V347-R629 WeakPolarHBondContact CA-O 3.36Å; V347-R629 HydrophobicContact CG2-CB 4.33Å; V347-I631 HydrophobicContact CG1-CD1 3.6Å; V347-I631 HydrophobicContact CG1-CG1 3.9Å; V347-L700 HydrophobicContact CB-CD1 4.38Å; V347-L700 HydrophobicContact CG1-CD1 3.89Å; V347-L700 HydrophobicContact CG2-CD2 4.4Å; V347-E705 HydrophobicContact CG2-CB 4.11Å; V347-E705 HydrophobicContact CG2-CG 4.26Å; V347-V706 PolarHBondContact N-O 3.34Å; V347-S707 WeakPolarHBondContact O-CA 3.34Å; V347-A708 PolarHBondContact O-N 3.37Å
348I96.4Very high88Confident0 Ų02.3 Ų2.30%02%0.016CC..EExtended strand (participates in β ladder)trans-108.4107.3170.2-60.7171.9000107.8T345 I628 R629 V630 I631 A708 T710 F749 I752T345-I348 HydrophobicContact CG2-CG1 3.79Å; I348-I628 HydrophobicContact CD1-CG2 3.81Å; I348-I628 HydrophobicContact CG1-CG2 3.8Å; I348-R629 PolarHBondContact N-O 2.92Å; I348-V630 CarbonylContact O-C 3.51Å; I348-V630 WeakPolarHBondContact O-CA 3.45Å; I348-I631 PolarHBondContact O-N 3.25Å; I348-A708 CarbonylContact C-O 3Å; I348-A708 WeakPolarHBondContact CA-O 3.08Å; I348-A708 HydrophobicContact CG1-CB 4.29Å; I348-T710 HydrophobicContact CG2-CG2 4.24Å; I348-F749 HydrophobicContact CD1-CZ 4.41Å; I348-F749 HydrophobicContact CG2-CE2 4.02Å; I348-F749 HydrophobicContact CG2-CZ 4.13Å; I348-I752 HydrophobicContact CD1-CG2 4.02Å
349C95.9Very high87.6Confident0 Ų04.3 Ų4.30%03%0.026CC..EExtended strand (participates in β ladder)trans-85.3118.3167.4-67.70000108.3I631 I633 A708 M709 T710C349-I631 CarbonylContact C-O 3.5Å; C349-I631 WeakPolarHBondContact CA-O 3.16Å; C349-I633 HydrophobicContact CB-CD1 3.75Å; C349-A708 PolarHBondContact N-O 2.84Å; C349-M709 HydrophobicContact CB-SD 3.46Å; C349-M709 WeakPolarHBondContact CB-SD 3.21Å; C349-M709 CarbonylContact O-C 3.26Å; C349-M709 VanDerWaalsContact O-CA 3.29Å; C349-M709 WeakPolarHBondContact O-CA 3.36Å; C349-T710 PolarHBondContact O-N 3.44Å
350S92.9Very high87.5Confident0 Ų06.4 Ų6.40%04%0.036CC..EExtended strand (participates in β ladder)trans-125.4131.1-173.5-168.70000112.5T355 I631 M632 I633 T710S350-T355 WeakPolarHBondContact OG-CG2 3.47Å; S350-I631 PolarHBondContact N-O 3.07Å; S350-M632 WeakPolarHBondContact O-CA 3.43Å; S350-I633 PolarHBondContact O-N 3.22Å; S350-T710 WeakPolarHBondContact CA-OG1 3.21Å; S350-T710 WeakPolarHBondContact CB-OG1 3.5Å; S350-T710 PolarHBondContact OG-OG1 3.06Å
351D87.9Confident87.6Confident4 Ų47.7 Ų7.72%0.0214%0.042CC..EExtended strand (participates in β ladder)trans-63.8148.5167.8-16476.1000111.2T353 T355 L356 I633 K693 T710D351-T353 PolarHBondContact OD2-N 3.07Å; D351-T355 WeakPolarHBondContact O-CB 3.47Å; D351-L356 WeakPolarHBondContact O-CG 3.36Å; D351-I633 VanDerWaalsContact CA-O 3.32Å; D351-I633 WeakPolarHBondContact CA-O 3.48Å; D351-K693 IonicContact OD1-NZ 3.1Å; D351-K693 PolarHBondContact OD1-NZ 3.39Å; D351-T710 PolarHBondContact N-O 3.02Å; D351-T710 PolarHBondContact N-OG1 3.01Å
352K86.1Confident87.8Confident2 Ų27.8 Ų7.81%0.0094%0.043CC..Iπ-helixtrans-78.7-54177.2179.6-142.660119.90111.5G354 L356 T357 D610 M632 I633 T634 D636 I644K352-G354 PolarHBondContact O-N 2.78Å; K352-L356 PolarHBondContact O-N 2.79Å; K352-T357 HydrophobicContact CD-CG2 4.29Å; K352-T357 HydrophobicContact CG-CG2 3.78Å; K352-T357 PolarHBondContact O-N 2.67Å; K352-T357 VanDerWaalsContact O-N 3.07Å; K352-T357 PolarHBondContact O-OG1 3.1Å; K352-D610 IonicContact NZ-OD2 3.65Å; K352-D610 PolarHBondContact NZ-OD2 3.06Å; K352-D610 VanDerWaalsContact NZ-OD2 3.1Å; K352-M632 HydrophobicContact CB-CG 4.23Å; K352-M632 HydrophobicContact CB-SD 4.07Å; K352-M632 HydrophobicContact CG-SD 4.16Å; K352-I633 PolarHBondContact N-O 2.92Å; K352-T634 WeakPolarHBondContact CB-OG1 3.37Å; K352-D636 WeakPolarHBondContact CD-OD2 3.47Å; K352-D636 WeakPolarHBondContact CE-OD2 3.13Å; K352-D636 IonicContact NZ-OD2 2.75Å; K352-D636 PolarHBondContact NZ-OD2 3.12Å; K352-I644 HydrophobicContact CD-CD1 3.58Å; K352-I644 HydrophobicContact CG-CD1 4.23Å
353T78.5Confident88Confident1 Ų17.9 Ų7.91%0.0064%0.043CC..Iπ-helixtrans-74.6126.7-166.1-60.20000108.6E183 D351 T355 T357 N359E183-T353 PolarHBondContact OE1-OG1 2.46Å; E183-T353 VanDerWaalsContact OE1-OG1 3.11Å; D351-T353 PolarHBondContact OD2-N 3.07Å; T353-T355 PolarHBondContact O-N 2.89Å; T353-T357 WeakPolarHBondContact CA-OG1 3.25Å; T353-N359 HydrophobicContact CG2-CB 4.17Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.39Å
354G77.9Confident88.2Confident2 Ų29 Ų92%0.0215%0.051CC..Iπ-helixtrans76-24.6179.900000115.6K352 T357 R613K352-G354 PolarHBondContact O-N 2.78Å; G354-T357 CarbonylContact C-O 3.52Å; G354-T357 VanDerWaalsContact C-O 3.26Å; G354-T357 WeakPolarHBondContact CA-O 3.35Å; G354-T357 PolarHBondContact N-OG1 3.33Å; G354-R613 PolarHBondContact O-NH2 3.01Å
355T79.1Confident88.4Confident0 Ų011.8 Ų11.80%06%0.061CC..Iπ-helixtrans-93.9-73.2177.3-48.10000112.3S350 D351 T353 T357 R613 T710 M729S350-T355 WeakPolarHBondContact OG-CG2 3.47Å; D351-T355 WeakPolarHBondContact O-CB 3.47Å; T353-T355 PolarHBondContact O-N 2.89Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.05Å; T355-R613 WeakPolarHBondContact O-CD 3.33Å; T355-R613 PolarHBondContact O-NE 2.84Å; T355-R613 VanDerWaalsContact O-NE 3.12Å; T355-T710 WeakPolarHBondContact CG2-OG1 3.37Å; T355-M729 HydrophobicContact CG2-CE 4.13Å; T355-M729 HydrophobicContact CG2-SD 3.57Å; T355-M729 VanDerWaalsContact CG2-SD 3.57Å; T355-M729 WeakPolarHBondContact OG1-CG 3.35Å; T355-M729 PolarHBondContact OG1-SD 3.35Å; T355-M729 VanDerWaalsContact OG1-SD 3.37Å
356L85.8Confident88.5Confident0 Ų011.9 Ų11.90%06%0.061CC..Iπ-helixtrans-74.7-21.7177.9-61.7172.9000112.5D351 K352 P612 R613 V616 M632 I648 F749D351-L356 WeakPolarHBondContact O-CG 3.36Å; K352-L356 PolarHBondContact O-N 2.79Å; L356-P612 WeakPolarHBondContact O-CA 3.33Å; L356-R613 PolarHBondContact O-N 3.38Å; L356-V616 HydrophobicContact CD2-CG1 3.73Å; L356-V616 HydrophobicContact CD2-CG2 4.46Å; L356-M632 HydrophobicContact CD1-CB 4.36Å; L356-M632 HydrophobicContact CD1-CE 3.54Å; L356-M632 HydrophobicContact CD1-CG 4Å; L356-I648 HydrophobicContact CB-CD1 4.46Å; L356-I648 HydrophobicContact CD1-CD1 3.89Å; L356-I648 HydrophobicContact CD2-CD1 4.43Å; L356-F749 HydrophobicContact CD2-CD2 3.64Å; L356-F749 HydrophobicContact CD2-CE2 3.88Å; L356-F749 HydrophobicContact CD2-CG 4.18Å
357T84.9Confident88.6Confident0 Ų011.4 Ų11.40%06%0.058CC..BIsolated β-bridgetrans-114.7167179.759.20000111K352 T353 G354 T355 N359 D610 P611 R613K352-T357 HydrophobicContact CD-CG2 4.29Å; K352-T357 HydrophobicContact CG-CG2 3.78Å; K352-T357 PolarHBondContact O-N 2.67Å; K352-T357 VanDerWaalsContact O-N 3.07Å; K352-T357 PolarHBondContact O-OG1 3.1Å; T353-T357 WeakPolarHBondContact CA-OG1 3.25Å; G354-T357 CarbonylContact C-O 3.52Å; G354-T357 VanDerWaalsContact C-O 3.26Å; G354-T357 WeakPolarHBondContact CA-O 3.35Å; G354-T357 PolarHBondContact N-OG1 3.33Å; T355-T357 VanDerWaalsContact C-N 3.26Å; T355-T357 PolarHBondContact O-N 3.05Å; T357-N359 VanDerWaalsContact C-N 3.29Å; T357-N359 PolarHBondContact O-N 3.18Å; T357-D610 WeakPolarHBondContact CB-OD1 3.4Å; T357-D610 WeakPolarHBondContact CB-OD2 3.19Å; T357-D610 PolarHBondContact OG1-OD2 3.31Å; T357-P611 VanDerWaalsContact CA-O 3.3Å; T357-P611 WeakPolarHBondContact CA-O 3.41Å; T357-P611 WeakPolarHBondContact CB-O 3.37Å; T357-R613 PolarHBondContact O-NE 3.27Å; T357-R613 VanDerWaalsContact O-NE 3.16Å
358T81.3Confident88.5Confident16 Ų1611.9 Ų11.910%0.0986%0.06CC..  trans-77.8-13.1179.960.80000113.3Q360 S387 P611 R613T358-Q360 WeakPolarHBondContact O-CG 3.35Å; T358-Q360 PolarHBondContact O-N 3.03Å; T358-Q360 PolarHBondContact OG1-N 2.73Å; T358-S387 PolarHBondContact OG1-O 3.37Å; T358-S387 VanDerWaalsContact OG1-O 3.08Å; T358-P611 PolarHBondContact N-O 3.32Å; T358-R613 HydrophobicContact CG2-CG 4.04Å
359N79Confident88.3Confident45 Ų4512.1 Ų12.124%0.2416%0.061CC..SBendtrans54.427.8-166.2-161.95.5000112S184 T353 T357 D610S184-N359 PolarHBondContact OG-OD1 3.11Å; T353-N359 HydrophobicContact CG2-CB 4.17Å; T353-N359 WeakPolarHBondContact CG2-OD1 3.39Å; T357-N359 VanDerWaalsContact C-N 3.29Å; T357-N359 PolarHBondContact O-N 3.18Å; N359-D610 WeakPolarHBondContact CA-OD1 3.32Å; N359-D610 PolarHBondContact N-OD1 3.49Å
360Q85.2Confident87.9Confident44 Ų4414.1 Ų14.121%0.2068%0.075CC..  trans-123.995.5-179.5-62.6-169.58.500109.5T358 S362 Y389 D610 P611T358-Q360 WeakPolarHBondContact O-CG 3.35Å; T358-Q360 PolarHBondContact O-N 3.03Å; T358-Q360 PolarHBondContact OG1-N 2.73Å; Q360-S362 PolarHBondContact O-N 3.37Å; Q360-S362 VanDerWaalsContact O-N 3.12Å; Q360-S362 PolarHBondContact O-OG 2.75Å; Q360-Y389 HydrophobicContact CB-CD2 4.03Å; Q360-Y389 HydrophobicContact CB-CE1 4.46Å; Q360-Y389 HydrophobicContact CB-CE2 3.84Å; Q360-Y389 HydrophobicContact CB-CG 4.4Å; Q360-Y389 HydrophobicContact CG-CD2 3.79Å; Q360-Y389 HydrophobicContact CG-CE2 3.7Å; Q360-D610 PolarHBondContact N-OD1 3.29Å; Q360-P611 VanDerWaalsContact O-CD 3.22Å; Q360-P611 WeakPolarHBondContact O-CD 3.49Å
361M88.7Confident87.4Confident27 Ų2720 Ų2013%0.13310%0.101CC..  trans-54121179.1-168.367.256.900109.7Y389 A440 A444 M608M361-Y389 PolarHBondContact N-OH 3.31Å; M361-Y389 WeakPolarHBondContact O-CE1 3.45Å; M361-A440 HydrophobicContact CB-CB 4.01Å; M361-A444 HydrophobicContact CB-CB 4.19Å; M361-A444 HydrophobicContact CG-CB 3.97Å; M361-A444 WeakPolarHBondContact O-CB 3.5Å; M361-M608 HydrophobicContact CG-CB 4.2Å; M361-M608 HydrophobicContact CG-CG 3.96Å; M361-M608 HydrophobicContact CG-SD 3.69Å; M361-M608 HydrophobicContact SD-CB 4.13Å; M361-M608 HydrophobicContact SD-CG 3.74Å; M361-M608 HydrophobicContact SD-SD 4.16Å
362S91.6Very high86.6Confident3 Ų321.9 Ų21.92%0.02112%0.117CC..EExtended strand (participates in β ladder)trans-130.4135.1-174.6-66.80000109.6Q360 C364 S387 M608 L609Q360-S362 PolarHBondContact O-N 3.37Å; Q360-S362 VanDerWaalsContact O-N 3.12Å; Q360-S362 PolarHBondContact O-OG 2.75Å; S362-C364 PolarHBondContact O-N 3.33Å; S362-C364 PolarHBondContact O-SG 3.17Å; S362-S387 VanDerWaalsContact OG-C 3.29Å; S362-S387 PolarHBondContact OG-O 3.16Å; S362-M608 CarbonylContact O-C 3.6Å; S362-M608 WeakPolarHBondContact O-CA 3.37Å; S362-M608 VanDerWaalsContact O-CB 3.31Å; S362-M608 WeakPolarHBondContact O-CB 3.09Å; S362-L609 PolarHBondContact N-O 3.46Å; S362-L609 PolarHBondContact O-N 2.86Å
363V94.5Very high85.8Confident3 Ų325.1 Ų25.12%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-73120.2170.7-178.30000107.9I384 A444 L445 L448 V606 M608V363-I384 HydrophobicContact CG1-CD1 4.17Å; V363-I384 WeakPolarHBondContact O-CB 3.34Å; V363-A444 HydrophobicContact CG2-CB 4.28Å; V363-L445 HydrophobicContact CG2-CD2 4.23Å; V363-L448 HydrophobicContact CB-CB 4.25Å; V363-L448 HydrophobicContact CB-CD1 4.17Å; V363-L448 HydrophobicContact CB-CD2 4.34Å; V363-L448 HydrophobicContact CB-CG 4.48Å; V363-L448 HydrophobicContact CG1-CD1 4.04Å; V363-L448 HydrophobicContact CG1-CD2 4.05Å; V363-L448 HydrophobicContact CG2-CB 4.06Å; V363-L448 HydrophobicContact CG2-CD2 4.16Å; V363-V606 HydrophobicContact CG1-CB 4.07Å; V363-V606 HydrophobicContact CG1-CG1 4.45Å; V363-M608 HydrophobicContact CG2-CB 4.14Å; V363-M608 HydrophobicContact CG2-CE 4.24Å
364C91.8Very high85.1Confident29 Ų2929.8 Ų29.820%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-106.3-29.5-178.3-57.70000112S362 I384 L568 G607S362-C364 PolarHBondContact O-N 3.33Å; S362-C364 PolarHBondContact O-SG 3.17Å; C364-I384 PolarHBondContact O-N 2.99Å; C364-L568 HydrophobicContact CB-CD2 4.35Å; C364-G607 PolarHBondContact N-O 2.77Å
365R94.3Very high84.8Confident60 Ų6039.1 Ų39.123%0.22620%0.199CC..EExtended strand (participates in β ladder)trans-137.9153.2177-64.4-157.3-176.9-103.8-10.1112F382 E383 Y561 D566 L568 G607R365-F382 VanDerWaalsContact CA-O 3.28Å; R365-F382 WeakPolarHBondContact CA-O 3.35Å; R365-E383 IonicContact CZ-OE1 3.99Å; R365-E383 VanDerWaalsContact NH1-CG 3.28Å; R365-E383 IonicContact NH1-OE1 2.63Å; R365-E383 PolarHBondContact NH1-OE1 3.15Å; R365-E383 IonicContact NH2-OE1 3.64Å; R365-E383 PolarHBondContact NH2-OE1 3.21Å; R365-Y561 HydrophobicContact CB-CD2 4.25Å; R365-Y561 HydrophobicContact CB-CE1 4.37Å; R365-Y561 HydrophobicContact CB-CE2 3.47Å; R365-Y561 VanDerWaalsContact CB-CE2 3.47Å; R365-D566 WeakPolarHBondContact CD-OD2 3.42Å; R365-D566 IonicContact CZ-OD2 3.33Å; R365-D566 IonicContact NE-OD2 2.69Å; R365-D566 PolarHBondContact NE-OD2 3.45Å; R365-D566 IonicContact NH2-OD2 2.87Å; R365-L568 HydrophobicContact CB-CD1 3.83Å; R365-L568 HydrophobicContact CG-CD1 4.01Å; R365-G607 PolarHBondContact N-O 3.1Å; R365-G607 PolarHBondContact O-N 3.04Å
366M96.1Very high84.6Confident2 Ų242.1 Ų42.11%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-145.5161.5166.366.3-174.6171.300110.4F382 I384 V395 L410 L448 M452 Y561 V605 V606M366-F382 HydrophobicContact CE-CB 3.75Å; M366-F382 HydrophobicContact CE-CD2 4.26Å; M366-F382 HydrophobicContact CE-CG 3.93Å; M366-F382 HydrophobicContact CG-CB 3.75Å; M366-F382 HydrophobicContact CG-CD2 4.14Å; M366-F382 HydrophobicContact CG-CG 4.31Å; M366-F382 PolarHBondContact N-O 3.48Å; M366-F382 PolarHBondContact O-N 3.39Å; M366-I384 HydrophobicContact CB-CD1 4.36Å; M366-I384 HydrophobicContact CE-CD1 4.42Å; M366-I384 HydrophobicContact CG-CD1 3.94Å; M366-I384 HydrophobicContact SD-CD1 4.35Å; M366-V395 HydrophobicContact CE-CG1 3.68Å; M366-V395 HydrophobicContact CE-CG2 4.5Å; M366-L410 HydrophobicContact CE-CD1 3.79Å; M366-L410 HydrophobicContact CE-CD2 3.51Å; M366-L410 HydrophobicContact CE-CG 4.29Å; M366-L410 HydrophobicContact CG-CD2 4.45Å; M366-L410 HydrophobicContact SD-CD2 3.72Å; M366-L448 HydrophobicContact SD-CD1 4.4Å; M366-M452 HydrophobicContact CE-CE 4.12Å; M366-M452 HydrophobicContact CE-CG 4.44Å; M366-M452 HydrophobicContact CE-SD 4.36Å; M366-M452 HydrophobicContact SD-CE 4.25Å; M366-M452 HydrophobicContact SD-SD 4.19Å; M366-Y561 PolarHBondContact O-OH 2.84Å; M366-V605 CarbonylContact C-O 3.57Å; M366-V605 WeakPolarHBondContact CA-O 3.16Å; M366-V605 WeakPolarHBondContact CB-O 3.4Å; M366-V606 HydrophobicContact CB-CG1 3.98Å
367F95.7Very high84.3Confident1 Ų143.6 Ų43.60%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-145.1150.4172.473.7-104.4000112.9V379 H380 I554 H557 V558 Y561 F602 G604 V605F367-V379 HydrophobicContact CB-CG1 3.66Å; F367-V379 HydrophobicContact CD2-CG1 3.52Å; F367-V379 HydrophobicContact CE2-CG1 4.42Å; F367-V379 HydrophobicContact CG-CG1 3.86Å; F367-H380 WeakPolarHBondContact CA-O 3.49Å; F367-H380 WeakPolarHBondContact CB-O 3.37Å; F367-I554 HydrophobicContact CE2-CG2 4.37Å; F367-I554 HydrophobicContact CZ-CG2 4.12Å; F367-H557 HydrophobicContact CD1-CB 4.3Å; F367-H557 HydrophobicContact CE1-CB 3.72Å; F367-H557 HydrophobicContact CE2-CB 4.45Å; F367-H557 HydrophobicContact CZ-CB 3.81Å; F367-V558 HydrophobicContact CE1-CG2 4.36Å; F367-V558 HydrophobicContact CZ-CG2 4.17Å; F367-Y561 HydrophobicContact CD1-CD2 4.4Å; F367-Y561 AromaticContact CD1-CE2 3.83Å; F367-Y561 HydrophobicContact CD1-CE2 3.83Å; F367-Y561 HydrophobicContact CE1-CE2 4.47Å; F367-F602 HydrophobicContact CE2-CE1 4.48Å; F367-F602 HydrophobicContact CE2-CZ 4.01Å; F367-G604 VanDerWaalsContact O-CA 3.23Å; F367-G604 WeakPolarHBondContact O-CA 3.28Å; F367-V605 HydrophobicContact CD1-CB 3.9Å; F367-V605 HydrophobicContact CD1-CG1 4.34Å; F367-V605 HydrophobicContact CE1-CB 3.43Å; F367-V605 VanDerWaalsContact CE1-CB 3.43Å; F367-V605 HydrophobicContact CE1-CG1 3.78Å; F367-V605 HydrophobicContact CE1-CG2 3.86Å; F367-V605 HydrophobicContact CE2-CB 4.2Å; F367-V605 HydrophobicContact CE2-CG2 4.14Å; F367-V605 HydrophobicContact CG-CB 4.49Å; F367-V605 HydrophobicContact CZ-CB 3.59Å; F367-V605 HydrophobicContact CZ-CG1 4.32Å; F367-V605 HydrophobicContact CZ-CG2 3.52Å; F367-V605 PolarHBondContact N-O 2.79Å; F367-V605 PolarHBondContact O-N 2.95Å
368I95.2Very high84.4Confident11 Ų1148.6 Ų48.66%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-137.3158.8172.868.4-176.8000109.2V379 H380 F382 L410 V413I368-V379 WeakPolarHBondContact O-CA 3.37Å; I368-V379 WeakPolarHBondContact O-CG1 3.4Å; I368-H380 HydrophobicContact CG1-CB 4.47Å; I368-H380 PolarHBondContact N-O 3.02Å; I368-H380 PolarHBondContact O-N 3.44Å; I368-F382 HydrophobicContact CD1-CE2 4.15Å; I368-F382 HydrophobicContact CD1-CZ 4.48Å; I368-F382 HydrophobicContact CG1-CE2 4.02Å; I368-L410 HydrophobicContact CD1-CD2 4.08Å; I368-L410 HydrophobicContact CD1-CG 3.98Å; I368-L410 HydrophobicContact CG2-CD2 4.04Å; I368-V413 HydrophobicContact CG2-CG2 3.97Å
369F92Very high84.9Confident4 Ų448.8 Ų48.82%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-75.3136.6170.5-81.3-78.9000111.5P377 V379 V537 I539 L550 I554 F602F369-P377 HydrophobicContact CD1-CB 4.37Å; F369-P377 HydrophobicContact CE1-CB 3.71Å; F369-V379 HydrophobicContact CD1-CG2 3.75Å; F369-V379 HydrophobicContact CE1-CG2 3.57Å; F369-V379 HydrophobicContact CG-CG2 4.46Å; F369-V379 HydrophobicContact CZ-CG2 4.19Å; F369-V537 HydrophobicContact CB-CG1 4.49Å; F369-V537 HydrophobicContact CD2-CG1 3.53Å; F369-V537 HydrophobicContact CE2-CG1 4Å; F369-V537 HydrophobicContact CG-CG1 4.2Å; F369-I539 HydrophobicContact CB-CD1 4.12Å; F369-I539 HydrophobicContact CB-CG1 3.84Å; F369-L550 HydrophobicContact CD1-CD2 4.4Å; F369-L550 HydrophobicContact CE1-CD2 3.82Å; F369-L550 HydrophobicContact CZ-CD2 4.05Å; F369-I554 HydrophobicContact CE2-CD1 3.79Å; F369-I554 HydrophobicContact CE2-CG1 3.46Å; F369-I554 VanDerWaalsContact CE2-CG1 3.46Å; F369-I554 HydrophobicContact CZ-CD1 4.36Å; F369-I554 HydrophobicContact CZ-CG1 3.73Å; F369-F602 HydrophobicContact CD2-CD1 4.34Å; F369-F602 HydrophobicContact CD2-CE1 4.08Å; F369-F602 HydrophobicContact CE2-CD1 4.33Å; F369-F602 HydrophobicContact CE2-CE1 4.02Å
370S87Confident85.6Confident43 Ų4348.8 Ų48.830%0.30126%0.257SS..EExtended strand (participates in β ladder)trans-97.8-32.3168.261.60000112.9E378 H380 I539S370-E378 PolarHBondContact N-O 3.47Å; S370-E378 PolarHBondContact OG-O 3.43Å; S370-H380 WeakPolarHBondContact CB-CD2 3.46Å; S370-H380 WeakPolarHBondContact CB-NE2 3.4Å; S370-H380 PolarHBondContact OG-CD2 2.86Å; S370-H380 PolarHBondContact OG-NE2 3.21Å; S370-I539 VanDerWaalsContact C-CG2 3.49Å; S370-I539 WeakPolarHBondContact O-CG2 3.2Å
371K82.1Confident86Confident122 Ų12249 Ų4953%0.5326%0.258SS..EExtended strand (participates in β ladder)trans-145.1132.4-176.3-154.2175.5-179-176.10112E378K371-E378 HydrophobicContact CB-CB 4.09Å; K371-E378 PolarHBondContact N-O 3.44Å; K371-E378 PolarHBondContact O-N 3.12Å
372A70.6Confident86.4Confident45 Ų4547.8 Ų47.837%0.37225%0.252SS..  trans-91.4102.4165.600000108.1I539 V544A372-I539 HydrophobicContact CB-CD1 3.14Å; A372-I539 VanDerWaalsContact N-CD1 3.27Å; A372-V544 HydrophobicContact CB-CG2 4.19Å
373D69.7Low86.5Confident70 Ų7051.7 Ų51.737%0.37427%0.27SS..  trans-118.8123.9155.8-172.7-19.5000106.3K375 A376 P377D373-K375 PolarHBondContact O-N 2.94Å; D373-K375 VanDerWaalsContact O-N 3.11Å; D373-K375 PolarHBondContact OD1-N 3.32Å; D373-A376 CarbonylContact O-C 3.56Å; D373-A376 PolarHBondContact O-N 3.09Å; D373-P377 VanDerWaalsContact O-CD 3.31Å; D373-P377 WeakPolarHBondContact O-CD 3.46Å; D373-P377 WeakPolarHBondContact O-CG 3.47Å; D373-P377 VanDerWaalsContact O-N 3.11Å
374D64.9Low86.5Confident98 Ų9852.1 Ų52.152%0.52427%0.272SS..SBendtrans-61.5-18.5178.4-78.7-39.2000112.2T547D374-T547 WeakPolarHBondContact OD1-CG2 3.45Å; D374-T547 PolarHBondContact OD1-OG1 3.36Å
375K71.6Confident86.6Confident198 Ų19853.7 Ų53.786%0.86128%0.28SS*.SBendtrans-93.2-28.6176.8-63.5-175.2-179.5-179.60113.8D373D373-K375 PolarHBondContact O-N 2.94Å; D373-K375 VanDerWaalsContact O-N 3.11Å; D373-K375 PolarHBondContact OD1-N 3.32Å
376A75.3Confident86.2Confident64 Ų6452.5 Ų52.553%0.52929%0.287SS..SBendtrans-153.576.2-176.400000110.9D373 E378D373-A376 CarbonylContact O-C 3.56Å; D373-A376 PolarHBondContact O-N 3.09Å; A376-E378 PolarHBondContact O-N 2.93Å
377P79Confident85.6Confident30 Ų3054.2 Ų54.220%0.19530%0.299CS..  trans-60.7136.6175.5-16.928.9000110.7F369 D373 L550F369-P377 HydrophobicContact CD1-CB 4.37Å; F369-P377 HydrophobicContact CE1-CB 3.71Å; D373-P377 VanDerWaalsContact O-CD 3.31Å; D373-P377 WeakPolarHBondContact O-CD 3.46Å; D373-P377 WeakPolarHBondContact O-CG 3.47Å; D373-P377 VanDerWaalsContact O-N 3.11Å; P377-L550 HydrophobicContact CB-CD2 3.69Å; P377-L550 HydrophobicContact CG-CD2 3.81Å
378E86.9Confident85.1Confident106 Ų10659.8 Ų59.850%0.49532%0.324SS..EExtended strand (participates in β ladder)trans-113.7130.1-180-164.9175.4-172.800110.6S370 K371 A376S370-E378 PolarHBondContact N-O 3.47Å; S370-E378 PolarHBondContact OG-O 3.43Å; K371-E378 HydrophobicContact CB-CB 4.09Å; K371-E378 PolarHBondContact N-O 3.44Å; K371-E378 PolarHBondContact O-N 3.12Å; A376-E378 PolarHBondContact O-N 2.93Å
379V91.1Very high84.9Confident20 Ų2059.6 Ų59.612%0.12132%0.322CS..EExtended strand (participates in β ladder)trans-121.3129.6-174.5-179.40000108.9F367 I368 F369F367-V379 HydrophobicContact CB-CG1 3.66Å; F367-V379 HydrophobicContact CD2-CG1 3.52Å; F367-V379 HydrophobicContact CE2-CG1 4.42Å; F367-V379 HydrophobicContact CG-CG1 3.86Å; I368-V379 WeakPolarHBondContact O-CA 3.37Å; I368-V379 WeakPolarHBondContact O-CG1 3.4Å; F369-V379 HydrophobicContact CD1-CG2 3.75Å; F369-V379 HydrophobicContact CE1-CG2 3.57Å; F369-V379 HydrophobicContact CG-CG2 4.46Å; F369-V379 HydrophobicContact CZ-CG2 4.19Å
380H94.2Very high84.8Confident44 Ų4460.1 Ų60.120%0.20433%0.327CS..EExtended strand (participates in β ladder)trans-88.6120.8171.7-78.7-142.5000109.4F367 I368 S370 F382 L397 Y407F367-H380 WeakPolarHBondContact CA-O 3.49Å; F367-H380 WeakPolarHBondContact CB-O 3.37Å; I368-H380 HydrophobicContact CG1-CB 4.47Å; I368-H380 PolarHBondContact N-O 3.02Å; I368-H380 PolarHBondContact O-N 3.44Å; S370-H380 WeakPolarHBondContact CB-CD2 3.46Å; S370-H380 WeakPolarHBondContact CB-NE2 3.4Å; S370-H380 PolarHBondContact OG-CD2 2.86Å; S370-H380 PolarHBondContact OG-NE2 3.21Å; H380-F382 HydrophobicContact CB-CD2 4.42Å; H380-F382 HydrophobicContact CB-CE2 3.57Å; H380-F382 HydrophobicContact CB-CZ 3.79Å; H380-L397 HydrophobicContact CB-CD1 4.09Å; H380-L397 WeakPolarHBondContact ND1-CD2 3.44Å; H380-Y407 AromaticContact ND1-CE1 3.74Å
381H94.4Very high84.9Confident50 Ų5058.8 Ų58.823%0.23132%0.317CS..EExtended strand (participates in β ladder)trans-98.2121.8174.5-71.1-83.7000110.3L397 H557 Y561H381-L397 VanDerWaalsContact O-CD1 3.22Å; H381-L397 WeakPolarHBondContact O-CD1 3.39Å; H381-H557 AromaticContact CE1-CE1 3.75Å; H381-H557 AromaticContact CE1-CG 3.84Å; H381-H557 AromaticContact CE1-ND1 3.31Å; H381-H557 PolarHBondContact CE1-ND1 2.99Å; H381-H557 VanDerWaalsContact CE1-ND1 3.31Å; H381-H557 AromaticContact NE2-CE1 3.19Å; H381-H557 PolarHBondContact NE2-CE1 3.42Å; H381-H557 AromaticContact NE2-CG 4Å; H381-H557 AromaticContact NE2-ND1 3.25Å; H381-H557 PolarHBondContact NE2-ND1 2.87Å; H381-H557 AromaticContact NE2-NE2 3.92Å; H381-Y561 AromaticContact ND1-CE1 3.78Å; H381-Y561 AromaticContact ND1-CZ 3.62Å; H381-Y561 PolarHBondContact ND1-OH 2.84Å
382F96.2Very high85.1Confident0 Ų059.2 Ų59.20%032%0.322CS..EExtended strand (participates in β ladder)trans-108143.2177.5-57.1-92.3000110.8R365 M366 I368 H380 V395 F396 L397 V402 Y407 L410R365-F382 VanDerWaalsContact CA-O 3.28Å; R365-F382 WeakPolarHBondContact CA-O 3.35Å; M366-F382 HydrophobicContact CE-CB 3.75Å; M366-F382 HydrophobicContact CE-CD2 4.26Å; M366-F382 HydrophobicContact CE-CG 3.93Å; M366-F382 HydrophobicContact CG-CB 3.75Å; M366-F382 HydrophobicContact CG-CD2 4.14Å; M366-F382 HydrophobicContact CG-CG 4.31Å; M366-F382 PolarHBondContact N-O 3.48Å; M366-F382 PolarHBondContact O-N 3.39Å; I368-F382 HydrophobicContact CD1-CE2 4.15Å; I368-F382 HydrophobicContact CD1-CZ 4.48Å; I368-F382 HydrophobicContact CG1-CE2 4.02Å; H380-F382 HydrophobicContact CB-CD2 4.42Å; H380-F382 HydrophobicContact CB-CE2 3.57Å; H380-F382 HydrophobicContact CB-CZ 3.79Å; F382-V395 HydrophobicContact CB-CG1 3.97Å; F382-V395 HydrophobicContact CD1-CG1 3.92Å; F382-V395 HydrophobicContact CG-CG1 4.29Å; F382-F396 CarbonylContact C-O 3.46Å; F382-F396 WeakPolarHBondContact CA-O 2.77Å; F382-L397 HydrophobicContact CD1-CB 3.97Å; F382-L397 HydrophobicContact CD1-CD1 4.28Å; F382-L397 HydrophobicContact CE1-CB 3.99Å; F382-L397 HydrophobicContact CE1-CD1 4.14Å; F382-L397 HydrophobicContact CE1-CD2 4.12Å; F382-L397 HydrophobicContact CE1-CG 4.31Å; F382-L397 HydrophobicContact CZ-CD1 4.45Å; F382-V402 HydrophobicContact CD1-CG2 4.05Å; F382-V402 HydrophobicContact CE1-CG2 4.08Å; F382-Y407 HydrophobicContact CE1-CD2 4.37Å; F382-Y407 HydrophobicContact CE1-CE2 4.26Å; F382-Y407 HydrophobicContact CZ-CD1 4.09Å; F382-Y407 HydrophobicContact CZ-CD2 4.44Å; F382-Y407 HydrophobicContact CZ-CE1 4.24Å; F382-Y407 HydrophobicContact CZ-CG 4.2Å; F382-L410 HydrophobicContact CD1-CD1 4.18Å; F382-L410 HydrophobicContact CD2-CD1 4.43Å; F382-L410 HydrophobicContact CD2-CD2 4.16Å; F382-L410 HydrophobicContact CE1-CD1 3.81Å; F382-L410 HydrophobicContact CE2-CD1 4.09Å; F382-L410 HydrophobicContact CE2-CD2 3.99Å; F382-L410 HydrophobicContact CE2-CG 4.23Å; F382-L410 HydrophobicContact CG-CD1 4.48Å; F382-L410 HydrophobicContact CZ-CD1 3.75Å; F382-L410 HydrophobicContact CZ-CD2 4.46Å; F382-L410 HydrophobicContact CZ-CG 4.22Å
383E94.8Very high86Confident85 Ų8558.3 Ų58.340%0.39732%0.317SS..EExtended strand (participates in β ladder)trans-108.4138172.1-67.7179.6179.600109.4R365 V395 F396R365-E383 IonicContact CZ-OE1 3.99Å; R365-E383 VanDerWaalsContact NH1-CG 3.28Å; R365-E383 IonicContact NH1-OE1 2.63Å; R365-E383 PolarHBondContact NH1-OE1 3.15Å; R365-E383 IonicContact NH2-OE1 3.64Å; R365-E383 PolarHBondContact NH2-OE1 3.21Å; E383-V395 CarbonylContact O-C 3.58Å; E383-V395 WeakPolarHBondContact O-CA 3.37Å; E383-F396 HydrophobicContact CB-CB 4.37Å; E383-F396 PolarHBondContact N-O 2.84Å; E383-F396 PolarHBondContact O-N 3.2Å
384I94.6Very high87.2Confident13 Ų1358.6 Ų58.67%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-119.9129.7-178-57.988.9000108.8V363 C364 M366 E394 V395 L448 K451V363-I384 HydrophobicContact CG1-CD1 4.17Å; V363-I384 WeakPolarHBondContact O-CB 3.34Å; C364-I384 PolarHBondContact O-N 2.99Å; M366-I384 HydrophobicContact CB-CD1 4.36Å; M366-I384 HydrophobicContact CE-CD1 4.42Å; M366-I384 HydrophobicContact CG-CD1 3.94Å; M366-I384 HydrophobicContact SD-CD1 4.35Å; I384-E394 WeakPolarHBondContact CA-O 3.43Å; I384-V395 HydrophobicContact CG1-CG2 4.26Å; I384-L448 HydrophobicContact CD1-CD1 4.34Å; I384-L448 HydrophobicContact CG1-CD1 3.86Å; I384-L448 HydrophobicContact CG2-CD1 4.32Å; I384-K451 HydrophobicContact CG2-CD 3.76Å
385T92.3Very high88.6Confident61 Ų6154.1 Ų54.137%0.37429%0.292SS..  trans-91.3167176.863.80000112.7E394 F396 K451T385-E394 PolarHBondContact N-O 3.19Å; T385-E394 PolarHBondContact OG1-N 3.44Å; T385-E394 PolarHBondContact OG1-O 2.88Å; T385-F396 HydrophobicContact CG2-CD2 3.98Å; T385-F396 HydrophobicContact CG2-CE2 3.57Å; T385-K451 WeakPolarHBondContact O-CE 3.46Å; T385-K451 PolarHBondContact O-NZ 2.95Å
386G87.2Confident89.8Confident35 Ų3547 Ų4736%0.36126%0.261SS..  trans90.5118.5-177.700000112.3K451G386-K451 PolarHBondContact O-NZ 2.95Å
387S82.3Confident90.8Very high38 Ų3844.8 Ų44.827%0.26624%0.24SC..SBendtrans-100.19-174.350.20000114.3T358 S362 P611T358-S387 PolarHBondContact OG1-O 3.37Å; T358-S387 VanDerWaalsContact OG1-O 3.08Å; S362-S387 VanDerWaalsContact OG-C 3.29Å; S362-S387 PolarHBondContact OG-O 3.16Å; S387-P611 VanDerWaalsContact CB-CG 3.47Å; S387-P611 WeakPolarHBondContact O-CG 3.21Å
388K86.6Confident91.4Very high119 Ų11950.5 Ų50.552%0.51727%0.269SS..SBendtrans-125.7167.1-175.8-65-175.9-177-179.20110.7A390K388-A390 HydrophobicContact CB-CB 4.39Å; K388-A390 PolarHBondContact O-N 2.85Å
389Y90.2Very high91.5Very high6 Ų648.3 Ų48.32%0.02428%0.275CS..SBendtrans-70.3-7.7170.9-64.4-49.9000113.7Q360 M361 K436 A440 T443 C447Q360-Y389 HydrophobicContact CB-CD2 4.03Å; Q360-Y389 HydrophobicContact CB-CE1 4.46Å; Q360-Y389 HydrophobicContact CB-CE2 3.84Å; Q360-Y389 HydrophobicContact CB-CG 4.4Å; Q360-Y389 HydrophobicContact CG-CD2 3.79Å; Q360-Y389 HydrophobicContact CG-CE2 3.7Å; M361-Y389 PolarHBondContact N-OH 3.31Å; M361-Y389 WeakPolarHBondContact O-CE1 3.45Å; Y389-K436 HydrophobicContact CD2-CB 4.27Å; Y389-K436 HydrophobicContact CE2-CB 3.9Å; Y389-K436 HydrophobicContact CE2-CD 4.42Å; Y389-K436 HydrophobicContact CE2-CG 4.24Å; Y389-A440 WeakPolarHBondContact OH-CB 3.43Å; Y389-T443 HydrophobicContact CD1-CG2 3.6Å; Y389-T443 HydrophobicContact CE1-CG2 3.8Å; Y389-T443 HydrophobicContact CG-CG2 4.03Å; Y389-C447 PolarHBondContact O-SG 3.27Å
390A89.6Confident91.7Very high16 Ų1654.2 Ų54.213%0.13230%0.301CS..SBendtrans-56136.417200000110.3K388 E392 Y434 C447K388-A390 HydrophobicContact CB-CB 4.39Å; K388-A390 PolarHBondContact O-N 2.85Å; A390-E392 HydrophobicContact CB-CB 4.47Å; A390-E392 HydrophobicContact CB-CG 4.45Å; A390-E392 PolarHBondContact O-N 3.27Å; A390-Y434 HydrophobicContact CB-CD2 3.63Å; A390-Y434 HydrophobicContact CB-CE2 4.02Å; A390-Y434 HydrophobicContact CB-CG 4.45Å; A390-C447 PolarHBondContact O-SG 2.76Å; A390-C447 VanDerWaalsContact O-SG 3.36Å
391P88.5Confident91.7Very high14 Ų1458.3 Ų58.39%0.09132%0.319CS..SBendtrans-75.136.8-179.533.5-36.9000112.4Y434 E450 L467P391-Y434 HydrophobicContact CG-CE1 4.15Å; P391-E450 HydrophobicContact CB-CB 3.61Å; P391-E450 HydrophobicContact CB-CG 4.02Å; P391-L467 HydrophobicContact CG-CB 4.36Å; P391-L467 WeakPolarHBondContact CG-O 3.44Å
392E87.4Confident91.8Very high132 Ų13257.2 Ų57.262%0.61732%0.315SS*.  trans-114.3121.2-176.3-64.9174.5-163.400108.6A390 K451A390-E392 HydrophobicContact CB-CB 4.47Å; A390-E392 HydrophobicContact CB-CG 4.45Å; A390-E392 PolarHBondContact O-N 3.27Å; E392-K451 VanDerWaalsContact O-CE 3.28Å; E392-K451 WeakPolarHBondContact O-CE 3.43Å
393G89.9Confident91.7Very high26 Ų2661.7 Ų61.727%0.26834%0.336SS..  trans160.1163.6-176.600000111.3
394E93.3Very high91.7Very high75 Ų7557.9 Ų57.935%0.3532%0.319SS..  trans-132.3158.5-176.4-57-173157.900110.2I384 T385 F396 K401I384-E394 WeakPolarHBondContact CA-O 3.43Å; T385-E394 PolarHBondContact N-O 3.19Å; T385-E394 PolarHBondContact OG1-N 3.44Å; T385-E394 PolarHBondContact OG1-O 2.88Å; E394-F396 HydrophobicContact CB-CD2 4.48Å; E394-F396 HydrophobicContact CB-CE2 3.7Å; E394-F396 HydrophobicContact CB-CZ 4.18Å; E394-K401 WeakPolarHBondContact OE1-CE 3.45Å; E394-K401 IonicContact OE1-NZ 2.57Å; E394-K401 PolarHBondContact OE1-NZ 3.06Å; E394-K401 VanDerWaalsContact OE2-CD 3.28Å; E394-K401 WeakPolarHBondContact OE2-CD 3.38Å; E394-K401 WeakPolarHBondContact OE2-CE 3.29Å; E394-K401 IonicContact OE2-NZ 3.79Å
395V96.1Very high91.5Very high5 Ų558.4 Ų58.43%0.0333%0.327CS..EExtended strand (participates in β ladder)trans-109.2131179.9-176.60000109.3M366 F382 E383 I384 V402 M452M366-V395 HydrophobicContact CE-CG1 3.68Å; M366-V395 HydrophobicContact CE-CG2 4.5Å; F382-V395 HydrophobicContact CB-CG1 3.97Å; F382-V395 HydrophobicContact CD1-CG1 3.92Å; F382-V395 HydrophobicContact CG-CG1 4.29Å; E383-V395 CarbonylContact O-C 3.58Å; E383-V395 WeakPolarHBondContact O-CA 3.37Å; I384-V395 HydrophobicContact CG1-CG2 4.26Å; V395-V402 HydrophobicContact CG1-CG2 4.13Å; V395-V402 PolarHBondContact O-N 3.38Å; V395-M452 HydrophobicContact CG2-CG 4.23Å
396F96.6Very high91.5Very high47 Ų4761.7 Ų61.721%0.20634%0.339CS..EExtended strand (participates in β ladder)trans-119.6143.5-178.4-65.6-97.5000111.1F382 E383 T385 E394 Q400 K401F382-F396 CarbonylContact C-O 3.46Å; F382-F396 WeakPolarHBondContact CA-O 2.77Å; E383-F396 HydrophobicContact CB-CB 4.37Å; E383-F396 PolarHBondContact N-O 2.84Å; E383-F396 PolarHBondContact O-N 3.2Å; T385-F396 HydrophobicContact CG2-CD2 3.98Å; T385-F396 HydrophobicContact CG2-CE2 3.57Å; E394-F396 HydrophobicContact CB-CD2 4.48Å; E394-F396 HydrophobicContact CB-CE2 3.7Å; E394-F396 HydrophobicContact CB-CZ 4.18Å; F396-Q400 CarbonylContact C-O 3.47Å; F396-Q400 VanDerWaalsContact CA-O 3.22Å; F396-Q400 WeakPolarHBondContact CA-O 3.22Å; F396-K401 HydrophobicContact CD1-CB 4.2Å; F396-K401 HydrophobicContact CE1-CB 3.88Å; F396-K401 HydrophobicContact CZ-CB 4.4Å
397L95.5Very high91.8Very high19 Ų1962.7 Ų62.710%0.09933%0.332CS..EExtended strand (participates in β ladder)trans-124.8122.5168.6177.564.4000107.4H380 H381 F382 G399 Q400 V402 Y407H380-L397 HydrophobicContact CB-CD1 4.09Å; H380-L397 WeakPolarHBondContact ND1-CD2 3.44Å; H381-L397 VanDerWaalsContact O-CD1 3.22Å; H381-L397 WeakPolarHBondContact O-CD1 3.39Å; F382-L397 HydrophobicContact CD1-CB 3.97Å; F382-L397 HydrophobicContact CD1-CD1 4.28Å; F382-L397 HydrophobicContact CE1-CB 3.99Å; F382-L397 HydrophobicContact CE1-CD1 4.14Å; F382-L397 HydrophobicContact CE1-CD2 4.12Å; F382-L397 HydrophobicContact CE1-CG 4.31Å; F382-L397 HydrophobicContact CZ-CD1 4.45Å; L397-G399 PolarHBondContact O-N 3.43Å; L397-Q400 PolarHBondContact N-O 3.47Å; L397-Q400 PolarHBondContact O-N 3.23Å; L397-V402 HydrophobicContact CB-CG1 3.78Å; L397-V402 HydrophobicContact CB-CG2 4.06Å; L397-Y407 HydrophobicContact CD2-CE1 4.27Å; L397-Y407 WeakPolarHBondContact CD2-OH 3.46Å
398N91.6Very high92.2Very high149 Ų14963.9 Ų63.980%0.79734%0.335SS*.THydrogen-bonded Turntrans51.139.2-177.8-58.5-27.2000113.6Q400N398-Q400 VanDerWaalsContact C-N 3.26Å; N398-Q400 PolarHBondContact O-N 2.79Å
399G90.2Very high92.4Very high60 Ų6058.4 Ų58.462%0.61931%0.312SS*.THydrogen-bonded Turntrans77.9-1.7-179.400000115.5L397L397-G399 PolarHBondContact O-N 3.43Å
400Q94.7Very high92.6Very high144 Ų14458.1 Ų58.167%0.67331%0.311SS*.EExtended strand (participates in β ladder)trans-102.2135.2175.4-65.7-172.4-5.300111F396 L397 N398 V402F396-Q400 CarbonylContact C-O 3.47Å; F396-Q400 VanDerWaalsContact CA-O 3.22Å; F396-Q400 WeakPolarHBondContact CA-O 3.22Å; L397-Q400 PolarHBondContact N-O 3.47Å; L397-Q400 PolarHBondContact O-N 3.23Å; N398-Q400 VanDerWaalsContact C-N 3.26Å; N398-Q400 PolarHBondContact O-N 2.79Å; Q400-V402 PolarHBondContact O-N 3.22Å
401K94.9Very high92.8Very high131 Ų13157.8 Ų57.857%0.5731%0.308SS*.EExtended strand (participates in β ladder)trans-62.9130.6173.5-176.8-175.4-177.8169.90109.1E394 F396E394-K401 WeakPolarHBondContact OE1-CE 3.45Å; E394-K401 IonicContact OE1-NZ 2.57Å; E394-K401 PolarHBondContact OE1-NZ 3.06Å; E394-K401 VanDerWaalsContact OE2-CD 3.28Å; E394-K401 WeakPolarHBondContact OE2-CD 3.38Å; E394-K401 WeakPolarHBondContact OE2-CE 3.29Å; E394-K401 IonicContact OE2-NZ 3.79Å; F396-K401 HydrophobicContact CD1-CB 4.2Å; F396-K401 HydrophobicContact CE1-CB 3.88Å; F396-K401 HydrophobicContact CZ-CB 4.4Å
402V95.5Very high93Very high26 Ų2657.7 Ų57.716%0.15831%0.306CS..  trans-125.5150.6-179.9-68.40000111.4F382 V395 L397 Q400 Y407F382-V402 HydrophobicContact CD1-CG2 4.05Å; F382-V402 HydrophobicContact CE1-CG2 4.08Å; V395-V402 HydrophobicContact CG1-CG2 4.13Å; V395-V402 PolarHBondContact O-N 3.38Å; L397-V402 HydrophobicContact CB-CG1 3.78Å; L397-V402 HydrophobicContact CB-CG2 4.06Å; Q400-V402 PolarHBondContact O-N 3.22Å; V402-Y407 HydrophobicContact CB-CE2 4.18Å; V402-Y407 HydrophobicContact CG2-CE2 4.45Å
403E94.5Very high93.4Very high95 Ų9551.5 Ų51.544%0.44428%0.277SS..  trans-84.2115.2170.3-68.5-168.3161.600109.8G405 E406 K456E403-G405 PolarHBondContact O-N 3.11Å; E403-G405 VanDerWaalsContact O-N 3.12Å; E403-E406 HydrophobicContact CB-CG 4.08Å; E403-E406 PolarHBondContact O-N 3.47Å; E403-E406 VanDerWaalsContact O-N 3.1Å; E403-K456 IonicContact OE1-NZ 2.69Å; E403-K456 WeakPolarHBondContact OE2-CE 3.33Å; E403-K456 IonicContact OE2-NZ 3.93Å; E403-K456 PolarHBondContact OE2-NZ 3.21Å
404S93.5Very high93.7Very high4 Ų450.3 Ų50.33%0.02826%0.264CS..G310 helixtrans-61.7-26.4-175.2-62.10000113.1E406 Y407 L410 M452S404-E406 PolarHBondContact O-N 2.96Å; S404-Y407 PolarHBondContact O-N 3.25Å; S404-L410 WeakPolarHBondContact O-CB 3.17Å; S404-M452 WeakPolarHBondContact CB-O 3.5Å
405G91.6Very high93.8Very high24 Ų2446.9 Ų46.925%0.24725%0.249CC..G310 helixtrans-68.3-13.8178.100000115.1E403 Y407 V454E403-G405 PolarHBondContact O-N 3.11Å; E403-G405 VanDerWaalsContact O-N 3.12Å; G405-Y407 VanDerWaalsContact C-N 3.27Å; G405-V454 VanDerWaalsContact CA-O 3.23Å; G405-V454 WeakPolarHBondContact CA-O 3.47Å
406E92.2Very high93.8Very high131 Ų13146.7 Ų46.761%0.61225%0.247SC*.G310 helixtrans-78.6-12.7176.5-63.3-175157.900112.9E403 S404E403-E406 HydrophobicContact CB-CG 4.08Å; E403-E406 PolarHBondContact O-N 3.47Å; E403-E406 VanDerWaalsContact O-N 3.1Å; S404-E406 PolarHBondContact O-N 2.96Å
407Y93.2Very high93.9Very high56 Ų5644.4 Ų44.422%0.2224%0.238CC..  trans-110.9106.7-178.5-59.3-94.1000109.4H380 F382 L397 V402 S404 G405 G409 L410 V411H380-Y407 AromaticContact ND1-CE1 3.74Å; F382-Y407 HydrophobicContact CE1-CD2 4.37Å; F382-Y407 HydrophobicContact CE1-CE2 4.26Å; F382-Y407 HydrophobicContact CZ-CD1 4.09Å; F382-Y407 HydrophobicContact CZ-CD2 4.44Å; F382-Y407 HydrophobicContact CZ-CE1 4.24Å; F382-Y407 HydrophobicContact CZ-CG 4.2Å; L397-Y407 HydrophobicContact CD2-CE1 4.27Å; L397-Y407 WeakPolarHBondContact CD2-OH 3.46Å; V402-Y407 HydrophobicContact CB-CE2 4.18Å; V402-Y407 HydrophobicContact CG2-CE2 4.45Å; S404-Y407 PolarHBondContact O-N 3.25Å; G405-Y407 VanDerWaalsContact C-N 3.27Å; Y407-G409 PolarHBondContact O-N 2.67Å; Y407-G409 VanDerWaalsContact O-N 3.12Å; Y407-L410 HydrophobicContact CD2-CD1 4.14Å; Y407-L410 HydrophobicContact CG-CD1 4.25Å; Y407-L410 WeakPolarHBondContact O-CA 3.32Å; Y407-L410 WeakPolarHBondContact O-CB 3.4Å; Y407-L410 PolarHBondContact O-N 2.83Å; Y407-V411 PolarHBondContact O-N 3.44Å; Y407-V411 VanDerWaalsContact O-N 3.12Å
408D90Very high93.9Very high62 Ų6243.6 Ų43.633%0.33223%0.233SC..Hα-helixtrans-55.6-35.9-177.3-64.9-49.5000113.3L410 V411 E412 N541D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 2.8Å; D408-V411 WeakPolarHBondContact O-CB 3.5Å; D408-V411 PolarHBondContact O-N 3.32Å; D408-E412 PolarHBondContact O-N 3.3Å; D408-N541 WeakPolarHBondContact CB-OD1 3.45Å; D408-N541 PolarHBondContact OD1-OD1 3.06Å; D408-N541 PolarHBondContact OD2-ND2 2.87Å; D408-N541 PolarHBondContact OD2-OD1 2.81Å
409G91.4Very high94.1Very high4 Ų436.8 Ų36.84%0.04120%0.197CC..Hα-helixtrans-62.7-35.9174.600000112.7Y407 E412 V413Y407-G409 PolarHBondContact O-N 2.67Å; Y407-G409 VanDerWaalsContact O-N 3.12Å; G409-E412 PolarHBondContact O-N 3.01Å; G409-V413 VanDerWaalsContact O-CG2 3.31Å; G409-V413 WeakPolarHBondContact O-CG2 3.21Å; G409-V413 PolarHBondContact O-N 2.91Å
410L94.7Very high94.5Very high0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-71.2-33.7174.5-68.6-170.1000112.3M366 I368 F382 S404 Y407 D408 E412 V413 A414 M452M366-L410 HydrophobicContact CE-CD1 3.79Å; M366-L410 HydrophobicContact CE-CD2 3.51Å; M366-L410 HydrophobicContact CE-CG 4.29Å; M366-L410 HydrophobicContact CG-CD2 4.45Å; M366-L410 HydrophobicContact SD-CD2 3.72Å; I368-L410 HydrophobicContact CD1-CD2 4.08Å; I368-L410 HydrophobicContact CD1-CG 3.98Å; I368-L410 HydrophobicContact CG2-CD2 4.04Å; F382-L410 HydrophobicContact CD1-CD1 4.18Å; F382-L410 HydrophobicContact CD2-CD1 4.43Å; F382-L410 HydrophobicContact CD2-CD2 4.16Å; F382-L410 HydrophobicContact CE1-CD1 3.81Å; F382-L410 HydrophobicContact CE2-CD1 4.09Å; F382-L410 HydrophobicContact CE2-CD2 3.99Å; F382-L410 HydrophobicContact CE2-CG 4.23Å; F382-L410 HydrophobicContact CG-CD1 4.48Å; F382-L410 HydrophobicContact CZ-CD1 3.75Å; F382-L410 HydrophobicContact CZ-CD2 4.46Å; F382-L410 HydrophobicContact CZ-CG 4.22Å; S404-L410 WeakPolarHBondContact O-CB 3.17Å; Y407-L410 HydrophobicContact CD2-CD1 4.14Å; Y407-L410 HydrophobicContact CG-CD1 4.25Å; Y407-L410 WeakPolarHBondContact O-CA 3.32Å; Y407-L410 WeakPolarHBondContact O-CB 3.4Å; Y407-L410 PolarHBondContact O-N 2.83Å; D408-L410 VanDerWaalsContact C-N 3.3Å; D408-L410 PolarHBondContact O-N 2.8Å; L410-E412 VanDerWaalsContact C-N 3.32Å; L410-V413 PolarHBondContact O-N 3.41Å; L410-A414 WeakPolarHBondContact O-CB 3.24Å; L410-A414 PolarHBondContact O-N 3.27Å; L410-M452 HydrophobicContact CB-CE 3.64Å; L410-M452 HydrophobicContact CD1-CE 4.43Å; L410-M452 HydrophobicContact CD2-CE 4.11Å; L410-M452 HydrophobicContact CG-CE 4.27Å; L410-M452 WeakPolarHBondContact O-CE 3.4Å
411V94.1Very high94.5Very high10 Ų1027.5 Ų27.56%0.06114%0.138CC..Hα-helixtrans-59.8-45.7171.5-178.60000109.9Y407 D408 A414 N415 V454 Y455 P509Y407-V411 PolarHBondContact O-N 3.44Å; Y407-V411 VanDerWaalsContact O-N 3.12Å; D408-V411 WeakPolarHBondContact O-CB 3.5Å; D408-V411 PolarHBondContact O-N 3.32Å; V411-A414 PolarHBondContact O-N 3.31Å; V411-N415 PolarHBondContact O-N 3.19Å; V411-N415 PolarHBondContact O-ND2 2.8Å; V411-V454 HydrophobicContact CG1-CG2 4.43Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; V411-Y455 HydrophobicContact CG1-CE1 4.2Å; V411-Y455 HydrophobicContact CG1-CE2 4.42Å; V411-Y455 WeakPolarHBondContact CG1-OH 3.28Å; V411-P509 HydrophobicContact CG1-CG 4.42Å
412E93Very high94.4Very high12 Ų1225.7 Ų25.76%0.05613%0.134CC..Hα-helixtrans-68.2-40177.5-162.9170.5-148.800112D408 G409 L410 A414 N415 I416 T511 R538 T575 V603D408-E412 PolarHBondContact O-N 3.3Å; G409-E412 PolarHBondContact O-N 3.01Å; L410-E412 VanDerWaalsContact C-N 3.32Å; E412-A414 PolarHBondContact O-N 2.84Å; E412-N415 PolarHBondContact O-N 2.77Å; E412-I416 HydrophobicContact CG-CD1 4.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 3.45Å; E412-T511 PolarHBondContact OE1-OG1 2.95Å; E412-R538 IonicContact OE1-CZ 3.78Å; E412-R538 IonicContact OE1-NE 2.76Å; E412-R538 PolarHBondContact OE1-NE 2.84Å; E412-R538 IonicContact OE1-NH2 3.1Å; E412-R538 PolarHBondContact OE1-NH2 3.07Å; E412-R538 WeakPolarHBondContact OE2-CD 3.1Å; E412-R538 VanDerWaalsContact OE2-CG 3.28Å; E412-R538 WeakPolarHBondContact OE2-CG 3.35Å; E412-R538 IonicContact OE2-CZ 3.84Å; E412-R538 IonicContact OE2-NE 3.69Å; E412-R538 PolarHBondContact OE2-NE 2.93Å; E412-R538 IonicContact OE2-NH2 3.51Å; E412-T575 WeakPolarHBondContact OE1-CG2 3.42Å; E412-V603 HydrophobicContact CB-CG1 3.91Å; E412-V603 HydrophobicContact CG-CG1 4.03Å; E412-V603 HydrophobicContact CG-CG2 4.19Å
413V95.9Very high94.3Very high2 Ų225 Ų251%0.01213%0.131CC..Hα-helixtrans-54.9-49.4171.3163.50000111.3I368 G409 L410 N415 I416 C417 M452 L573 V603 V606I368-V413 HydrophobicContact CG2-CG2 3.97Å; G409-V413 VanDerWaalsContact O-CG2 3.31Å; G409-V413 WeakPolarHBondContact O-CG2 3.21Å; G409-V413 PolarHBondContact O-N 2.91Å; L410-V413 PolarHBondContact O-N 3.41Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 2.76Å; V413-I416 PolarHBondContact O-N 3Å; V413-C417 WeakPolarHBondContact O-CB 3.39Å; V413-C417 PolarHBondContact O-N 2.98Å; V413-C417 PolarHBondContact O-SG 2.7Å; V413-M452 HydrophobicContact CG1-CE 4.34Å; V413-L573 HydrophobicContact CB-CD1 4.33Å; V413-L573 HydrophobicContact CG1-CD1 3.73Å; V413-L573 HydrophobicContact CG2-CD1 4.22Å; V413-V603 HydrophobicContact CG2-CG1 3.89Å; V413-V606 HydrophobicContact CG1-CG1 4.42Å
414A96.3Very high94.3Very high0 Ų021.9 Ų21.90%012%0.121CC..Hα-helixtrans-62.3-39.6179.400000111.9L410 V411 E412 C417 A418 V449 M452 V454 I475L410-A414 WeakPolarHBondContact O-CB 3.24Å; L410-A414 PolarHBondContact O-N 3.27Å; V411-A414 PolarHBondContact O-N 3.31Å; E412-A414 PolarHBondContact O-N 2.84Å; A414-C417 PolarHBondContact O-N 3.26Å; A414-A418 WeakPolarHBondContact O-CB 3.29Å; A414-A418 PolarHBondContact O-N 2.92Å; A414-V449 HydrophobicContact CB-CG2 4.47Å; A414-V449 WeakPolarHBondContact O-CG2 3.34Å; A414-M452 HydrophobicContact CB-CE 4.06Å; A414-M452 HydrophobicContact CB-SD 4.25Å; A414-V454 HydrophobicContact CB-CB 4.42Å; A414-V454 HydrophobicContact CB-CG1 3.7Å; A414-V454 HydrophobicContact CB-CG2 3.78Å; A414-I475 HydrophobicContact CB-CD1 4.14Å
415N94.8Very high94.3Very high4 Ų422 Ų222%0.02112%0.121CC..Hα-helixtrans-62.5-44.1175.4-81.4-75.3000112.3V411 E412 V413 M419 Y455 I475 W479 F522V411-N415 PolarHBondContact O-N 3.19Å; V411-N415 PolarHBondContact O-ND2 2.8Å; E412-N415 PolarHBondContact O-N 2.77Å; V413-N415 VanDerWaalsContact C-N 3.32Å; V413-N415 PolarHBondContact O-N 2.76Å; N415-M419 WeakPolarHBondContact O-CB 3.3Å; N415-M419 WeakPolarHBondContact O-CG 3.49Å; N415-M419 PolarHBondContact O-N 3.46Å; N415-Y455 PolarHBondContact ND2-OH 3.22Å; N415-Y455 VanDerWaalsContact ND2-OH 3.12Å; N415-I475 WeakPolarHBondContact OD1-CG2 3.4Å; N415-W479 PolarHBondContact OD1-NE1 3.22Å; N415-F522 HydrophobicContact CB-CE2 3.87Å; N415-F522 HydrophobicContact CB-CZ 4.12Å
416I96.5Very high94.4Very high0 Ų024.1 Ų24.10%013%0.127CC..Hα-helixtrans-63-48176.3-64.4166.3000110.2E412 V413 A418 M419 C420 F522 L573 V603E412-I416 HydrophobicContact CG-CD1 4.39Å; E412-I416 WeakPolarHBondContact O-CG1 3.46Å; E412-I416 PolarHBondContact O-N 3.45Å; V413-I416 PolarHBondContact O-N 3Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 2.92Å; I416-M419 PolarHBondContact O-N 3.3Å; I416-C420 HydrophobicContact CG2-CB 4.3Å; I416-C420 WeakPolarHBondContact O-CA 3.13Å; I416-C420 WeakPolarHBondContact O-CB 3.39Å; I416-C420 PolarHBondContact O-N 3.31Å; I416-F522 HydrophobicContact CB-CB 4.39Å; I416-F522 HydrophobicContact CB-CG 4.44Å; I416-F522 HydrophobicContact CG1-CB 4Å; I416-F522 HydrophobicContact CG1-CD1 3.89Å; I416-F522 HydrophobicContact CG1-CD2 4.14Å; I416-F522 HydrophobicContact CG1-CE1 4.41Å; I416-F522 HydrophobicContact CG1-CG 3.75Å; I416-F522 HydrophobicContact CG2-CB 4.23Å; I416-L573 HydrophobicContact CD1-CB 4.1Å; I416-L573 HydrophobicContact CG2-CB 4.12Å; I416-L573 HydrophobicContact CG2-CD2 3.92Å; I416-L573 HydrophobicContact CG2-CG 4.44Å; I416-V603 HydrophobicContact CD1-CB 3.99Å; I416-V603 HydrophobicContact CD1-CG1 4.26Å; I416-V603 HydrophobicContact CD1-CG2 3.8Å
417C97.3Very high94.5Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-60.9-35.9-179.3-74.20000113.7V413 A414 N421 L445 V449V413-C417 WeakPolarHBondContact O-CB 3.39Å; V413-C417 PolarHBondContact O-N 2.98Å; V413-C417 PolarHBondContact O-SG 2.7Å; A414-C417 PolarHBondContact O-N 3.26Å; C417-N421 WeakPolarHBondContact O-CB 3.37Å; C417-N421 PolarHBondContact O-ND2 2.7Å; C417-N421 VanDerWaalsContact O-ND2 3.08Å; C417-L445 HydrophobicContact CB-CB 4.08Å; C417-V449 HydrophobicContact CB-CG2 3.58Å
418A96.6Very high94.3Very high1 Ų117.8 Ų17.81%0.00810%0.099CC..Hα-helixtrans-80.6-40.3-179.800000113.3A414 I416 V449 I475A414-A418 WeakPolarHBondContact O-CB 3.29Å; A414-A418 PolarHBondContact O-N 2.92Å; I416-A418 VanDerWaalsContact C-N 3.32Å; I416-A418 PolarHBondContact O-N 2.92Å; A418-V449 HydrophobicContact CB-CG1 4.25Å; A418-V449 HydrophobicContact CB-CG2 4.07Å; A418-I475 HydrophobicContact CB-CB 3.97Å; A418-I475 HydrophobicContact CB-CD1 3.97Å; A418-I475 HydrophobicContact CB-CG2 3.71Å
419M96Very high94.3Very high7 Ų720.8 Ų20.83%0.03411%0.111CC..Hα-helixtrans-91.3-39.3-172.7-66.3-55.5-5700113.2N415 I416 N421 I475 Q476 W479 K481 V496 L498 F522N415-M419 WeakPolarHBondContact O-CB 3.3Å; N415-M419 WeakPolarHBondContact O-CG 3.49Å; N415-M419 PolarHBondContact O-N 3.46Å; I416-M419 PolarHBondContact O-N 3.3Å; M419-N421 PolarHBondContact O-N 3.21Å; M419-I475 HydrophobicContact CG-CG2 4Å; M419-I475 HydrophobicContact SD-CG2 4.19Å; M419-Q476 HydrophobicContact SD-CB 4.21Å; M419-Q476 HydrophobicContact SD-CG 3.75Å; M419-W479 HydrophobicContact CE-CB 3.61Å; M419-W479 HydrophobicContact CE-CG 4.44Å; M419-W479 HydrophobicContact CG-CB 4.33Å; M419-W479 HydrophobicContact CG-CG 4.18Å; M419-W479 HydrophobicContact SD-CB 3.94Å; M419-W479 HydrophobicContact SD-CG 4.32Å; M419-K481 HydrophobicContact CE-CB 3.82Å; M419-V496 HydrophobicContact CB-CG2 4.35Å; M419-L498 HydrophobicContact CB-CD1 3.78Å; M419-L498 HydrophobicContact CB-CD2 4.36Å; M419-L498 HydrophobicContact CE-CD2 3.64Å; M419-L498 HydrophobicContact CG-CD1 4.07Å; M419-F522 HydrophobicContact CB-CD2 3.93Å; M419-F522 HydrophobicContact CB-CE2 4.31Å; M419-F522 HydrophobicContact CG-CD2 4.43Å; M419-F522 HydrophobicContact CG-CE2 4.32Å
420C96.9Very high94.1Very high0 Ų026.9 Ų26.90%015%0.148CC..SBendtrans-81.954.9176-165.70000109.6I416 V496 F522 K524I416-C420 HydrophobicContact CG2-CB 4.3Å; I416-C420 WeakPolarHBondContact O-CA 3.13Å; I416-C420 WeakPolarHBondContact O-CB 3.39Å; I416-C420 PolarHBondContact O-N 3.31Å; C420-V496 HydrophobicContact CB-CG1 4.45Å; C420-V496 HydrophobicContact CB-CG2 3.81Å; C420-F522 HydrophobicContact CB-CB 4.17Å; C420-K524 WeakPolarHBondContact O-CD 3.4Å; C420-K524 WeakPolarHBondContact O-CE 3.37Å; C420-K524 PolarHBondContact O-NZ 2.78Å
421N95.8Very high93.5Very high9 Ų933.1 Ų33.15%0.04818%0.175CC..  trans-150.5141.9-170.5-157.7-39.8000110C417 M419 S423 E442 C446 K481C417-N421 WeakPolarHBondContact O-CB 3.37Å; C417-N421 PolarHBondContact O-ND2 2.7Å; C417-N421 VanDerWaalsContact O-ND2 3.08Å; M419-N421 PolarHBondContact O-N 3.21Å; N421-S423 WeakPolarHBondContact OD1-CB 3.35Å; N421-S423 PolarHBondContact OD1-N 2.98Å; N421-E442 PolarHBondContact ND2-O 3.05Å; N421-E442 WeakPolarHBondContact OD1-CB 3.47Å; N421-E442 PolarHBondContact OD1-OE2 3.46Å; N421-C446 PolarHBondContact ND2-SG 2.87Å; N421-K481 PolarHBondContact O-NZ 3.11Å
422D92.6Very high93.2Very high93 Ų9339 Ų3950%0.49720%0.201SC..  trans-120.65.4176.9-61-36.5000111.9E442 K481 M494D422-E442 PolarHBondContact N-OE2 2.96Å; D422-E442 VanDerWaalsContact N-OE2 3.14Å; D422-K481 IonicContact OD1-NZ 2.66Å; D422-K481 PolarHBondContact OD1-NZ 2.86Å; D422-M494 WeakPolarHBondContact OD2-CE 3.33Å
423S93.6Very high92.9Very high12 Ų1241.4 Ų41.48%0.08422%0.217CC..  trans-105.5168.3179.2-58.20000111.9N421 V437 E439 E442 C446N421-S423 WeakPolarHBondContact OD1-CB 3.35Å; N421-S423 PolarHBondContact OD1-N 2.98Å; S423-V437 CarbonylContact C-O 3.28Å; S423-V437 WeakPolarHBondContact CA-O 2.96Å; S423-V437 WeakPolarHBondContact CB-O 3.49Å; S423-E439 PolarHBondContact OG-N 3.31Å; S423-E442 PolarHBondContact N-OE2 3.14Å; S423-E442 WeakPolarHBondContact OG-CB 3.38Å; S423-E442 PolarHBondContact OG-OE2 3.37Å; S423-C446 PolarHBondContact O-SG 3.17Å; S423-C446 VanDerWaalsContact O-SG 3.36Å
424A93.8Very high92.7Very high28 Ų2842.1 Ų42.123%0.23122%0.22CC..EExtended strand (participates in β ladder)trans-147.5174.1178.600000111.6V437 T443 M469A424-V437 HydrophobicContact CB-CB 4.26Å; A424-V437 PolarHBondContact N-O 3.45Å; A424-V437 PolarHBondContact O-N 3.46Å; A424-T443 PolarHBondContact O-OG1 2.98Å; A424-M469 HydrophobicContact CB-CE 3.9Å; A424-M469 HydrophobicContact CB-SD 4.12Å
425I94.5Very high92.4Very high6 Ų645 Ų453%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-112.2131.8170.6-59.2165.2000107.2Y434 T443 C446 C447 M469I425-Y434 HydrophobicContact CG2-CD1 3.83Å; I425-Y434 HydrophobicContact CG2-CG 4.3Å; I425-T443 HydrophobicContact CG1-CG2 3.67Å; I425-C446 HydrophobicContact CD1-CB 4.03Å; I425-C446 HydrophobicContact CG1-CB 4.15Å; I425-C447 HydrophobicContact CD1-CB 3.8Å; I425-M469 HydrophobicContact CB-SD 4.25Å; I425-M469 HydrophobicContact CG1-SD 4.47Å; I425-M469 PolarHBondContact N-SD 3.3Å; I425-M469 WeakPolarHBondContact O-CG 3.45Å
426D93.3Very high92.2Very high69 Ų6948.2 Ų48.237%0.36925%0.247SC..EExtended strand (participates in β ladder)trans-119.2147.7172.9-174.538.7000110.4Y434 E435 V437D426-Y434 CarbonylContact O-C 3.5Å; D426-Y434 WeakPolarHBondContact O-CA 3.4Å; D426-E435 PolarHBondContact N-O 3.36Å; D426-E435 PolarHBondContact O-N 3.03Å; D426-V437 HydrophobicContact CB-CG2 3.76Å
427Y93.7Very high91.9Very high23 Ų2351.9 Ų51.99%0.0927%0.269CS..EExtended strand (participates in β ladder)trans-98.9109.9175.5-178.7-103.9000109.5E429 Y434 K464Y427-E429 HydrophobicContact CD1-CG 3.99Å; Y427-E429 HydrophobicContact CE1-CG 4.11Å; Y427-E429 PolarHBondContact O-N 2.99Å; Y427-Y434 AromaticContact CD2-CD1 3.89Å; Y427-Y434 HydrophobicContact CD2-CD1 3.89Å; Y427-Y434 HydrophobicContact CD2-CD2 4.12Å; Y427-Y434 AromaticContact CD2-CE1 3.75Å; Y427-Y434 HydrophobicContact CD2-CE1 3.75Å; Y427-Y434 AromaticContact CD2-CE2 3.99Å; Y427-Y434 HydrophobicContact CD2-CE2 3.99Å; Y427-Y434 HydrophobicContact CD2-CG 4.09Å; Y427-Y434 AromaticContact CD2-CZ 3.81Å; Y427-Y434 HydrophobicContact CE2-CE2 4.28Å; Y427-Y434 HydrophobicContact CG-CD1 4.46Å; Y427-Y434 HydrophobicContact CG-CE1 4.26Å; Y427-K464 HydrophobicContact CD1-CB 4.06Å; Y427-K464 HydrophobicContact CD2-CB 4.07Å; Y427-K464 HydrophobicContact CE1-CB 3.95Å; Y427-K464 HydrophobicContact CE1-CD 4.25Å; Y427-K464 HydrophobicContact CE2-CB 3.96Å; Y427-K464 HydrophobicContact CE2-CD 3.71Å; Y427-K464 HydrophobicContact CE2-CG 4.47Å; Y427-K464 HydrophobicContact CG-CB 4.11Å; Y427-K464 VanDerWaalsContact OH-CD 3.28Å; Y427-K464 WeakPolarHBondContact OH-CD 3.46Å
428N90.3Very high91.4Very high32 Ų3254.3 Ų54.317%0.17129%0.294CS..EExtended strand (participates in β ladder)trans-77.3104.1177.1-171.2-44.8000109.6T430 K431 H432 V433 E435N428-T430 VanDerWaalsContact C-N 3.26Å; N428-T430 PolarHBondContact O-N 2.97Å; N428-T430 WeakPolarHBondContact OD1-CB 3.46Å; N428-T430 PolarHBondContact OD1-N 3.32Å; N428-K431 HydrophobicContact CB-CB 4.36Å; N428-K431 PolarHBondContact O-N 2.97Å; N428-K431 PolarHBondContact OD1-N 3.2Å; N428-H432 WeakPolarHBondContact O-CA 3.44Å; N428-H432 PolarHBondContact O-N 3.19Å; N428-V433 PolarHBondContact N-O 3.01Å; N428-V433 PolarHBondContact O-N 3.04Å; N428-E435 HydrophobicContact CB-CG 4.07Å; N428-E435 WeakPolarHBondContact CB-OE2 3.43Å; N428-E435 PolarHBondContact ND2-OE2 3.29Å
429E89Confident90.8Very high125 Ų12555.6 Ų55.658%0.58430%0.3SS*.THydrogen-bonded Turntrans-63-30.6-178.1-71.6-178.5-17800113Y427 H432Y427-E429 HydrophobicContact CD1-CG 3.99Å; Y427-E429 HydrophobicContact CE1-CG 4.11Å; Y427-E429 PolarHBondContact O-N 2.99Å; E429-H432 PolarHBondContact O-CE1 3.38Å; E429-H432 PolarHBondContact O-ND1 2.93Å
430T87.3Confident90.4Very high132 Ų13255.4 Ų55.481%0.8130%0.299SS*.THydrogen-bonded Turntrans-73.9-42-179.8-48.30000112N428N428-T430 VanDerWaalsContact C-N 3.26Å; N428-T430 PolarHBondContact O-N 2.97Å; N428-T430 WeakPolarHBondContact OD1-CB 3.46Å; N428-T430 PolarHBondContact OD1-N 3.32Å
431K81.7Confident90Very high130 Ų13056 Ų5657%0.56530%0.303SS*.THydrogen-bonded Turntrans-90.8-9.2180-62.3-176.7-170.7168.30113.6N428 V433 E435N428-K431 HydrophobicContact CB-CB 4.36Å; N428-K431 PolarHBondContact O-N 2.97Å; N428-K431 PolarHBondContact OD1-N 3.2Å; K431-V433 HydrophobicContact CB-CG2 3.69Å; K431-V433 HydrophobicContact CD-CG2 4.41Å; K431-V433 PolarHBondContact O-N 2.85Å; K431-E435 WeakPolarHBondContact CD-OE1 3.43Å; K431-E435 IonicContact NZ-OE1 2.92Å; K431-E435 PolarHBondContact NZ-OE1 2.84Å
432H87.6Confident89.9Confident133 Ų13356.2 Ų56.262%0.61630%0.304SS*.THydrogen-bonded Turntrans54.833.9-174.7-58.4-48.9000114.4N428 E429N428-H432 WeakPolarHBondContact O-CA 3.44Å; N428-H432 PolarHBondContact O-N 3.19Å; E429-H432 PolarHBondContact O-CE1 3.38Å; E429-H432 PolarHBondContact O-ND1 2.93Å
433V87.5Confident90Very high64 Ų6451.8 Ų51.839%0.38828%0.28SS..EExtended strand (participates in β ladder)trans-131154.4179.6-65.70000111.5N428 K431 E435N428-V433 PolarHBondContact N-O 3.01Å; N428-V433 PolarHBondContact O-N 3.04Å; K431-V433 HydrophobicContact CB-CG2 3.69Å; K431-V433 HydrophobicContact CD-CG2 4.41Å; K431-V433 PolarHBondContact O-N 2.85Å; V433-E435 HydrophobicContact CG2-CG 4.14Å
434Y91.4Very high90.1Very high17 Ų1751.3 Ų51.37%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-82.2123.2170.6-64.9-88.6000109.6A390 P391 I425 D426 Y427 K464A390-Y434 HydrophobicContact CB-CD2 3.63Å; A390-Y434 HydrophobicContact CB-CE2 4.02Å; A390-Y434 HydrophobicContact CB-CG 4.45Å; P391-Y434 HydrophobicContact CG-CE1 4.15Å; I425-Y434 HydrophobicContact CG2-CD1 3.83Å; I425-Y434 HydrophobicContact CG2-CG 4.3Å; D426-Y434 CarbonylContact O-C 3.5Å; D426-Y434 WeakPolarHBondContact O-CA 3.4Å; Y427-Y434 AromaticContact CD2-CD1 3.89Å; Y427-Y434 HydrophobicContact CD2-CD1 3.89Å; Y427-Y434 HydrophobicContact CD2-CD2 4.12Å; Y427-Y434 AromaticContact CD2-CE1 3.75Å; Y427-Y434 HydrophobicContact CD2-CE1 3.75Å; Y427-Y434 AromaticContact CD2-CE2 3.99Å; Y427-Y434 HydrophobicContact CD2-CE2 3.99Å; Y427-Y434 HydrophobicContact CD2-CG 4.09Å; Y427-Y434 AromaticContact CD2-CZ 3.81Å; Y427-Y434 HydrophobicContact CE2-CE2 4.28Å; Y427-Y434 HydrophobicContact CG-CD1 4.46Å; Y427-Y434 HydrophobicContact CG-CE1 4.26Å; Y434-K464 VanDerWaalsContact CE1-O 3.29Å; Y434-K464 WeakPolarHBondContact CE1-O 3.06Å; Y434-K464 PolarHBondContact OH-O 3.27Å
435E89.2Confident90.2Very high60 Ų6050 Ų5028%0.2827%0.265SS..EExtended strand (participates in β ladder)trans-108.7153.6-180-66.2-172.8144.200110.6D426 N428 K431 V433D426-E435 PolarHBondContact N-O 3.36Å; D426-E435 PolarHBondContact O-N 3.03Å; N428-E435 HydrophobicContact CB-CG 4.07Å; N428-E435 WeakPolarHBondContact CB-OE2 3.43Å; N428-E435 PolarHBondContact ND2-OE2 3.29Å; K431-E435 WeakPolarHBondContact CD-OE1 3.43Å; K431-E435 IonicContact NZ-OE1 2.92Å; K431-E435 PolarHBondContact NZ-OE1 2.84Å; V433-E435 HydrophobicContact CG2-CG 4.14Å
436K90.9Very high90.3Very high72 Ų7249.8 Ų49.831%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-77.8142.1174.563.3168.1-174.7164.70110.5S184 Y389 A440 T443S184-K436 PolarHBondContact O-NZ 3.1Å; Y389-K436 HydrophobicContact CD2-CB 4.27Å; Y389-K436 HydrophobicContact CE2-CB 3.9Å; Y389-K436 HydrophobicContact CE2-CD 4.42Å; Y389-K436 HydrophobicContact CE2-CG 4.24Å; K436-A440 HydrophobicContact CD-CB 4.17Å; K436-T443 HydrophobicContact CB-CG2 3.73Å; K436-T443 WeakPolarHBondContact CB-OG1 3.35Å
437V90.2Very high90.4Very high77 Ų7746.7 Ų46.747%0.46725%0.248SC..EExtended strand (participates in β ladder)trans-116.1110162.8-178.80000107.1S423 A424 D426S423-V437 CarbonylContact C-O 3.28Å; S423-V437 WeakPolarHBondContact CA-O 2.96Å; S423-V437 WeakPolarHBondContact CB-O 3.49Å; A424-V437 HydrophobicContact CB-CB 4.26Å; A424-V437 PolarHBondContact N-O 3.45Å; A424-V437 PolarHBondContact O-N 3.46Å; D426-V437 HydrophobicContact CB-CG2 3.76Å
438G87.4Confident90.6Very high50 Ų5045.7 Ų45.752%0.51524%0.244SC..SBendtrans101.3-142.8-175.500000113.8
439E85.1Confident90.9Very high29 Ų2944.2 Ų44.214%0.13624%0.237CC..  trans-85.8134.4-171.9-67.7-76.8-169.800111.5R174 S186 S423 T441 E442 T443R174-E439 IonicContact CZ-OE1 2.73Å; R174-E439 IonicContact NH1-OE1 2.98Å; R174-E439 PolarHBondContact NH1-OE1 3.09Å; S186-E439 WeakPolarHBondContact CB-OE1 3.28Å; S186-E439 PolarHBondContact OG-OE1 3.2Å; S186-E439 PolarHBondContact OG-OE2 3Å; S423-E439 PolarHBondContact OG-N 3.31Å; E439-T441 PolarHBondContact O-N 3.37Å; E439-E442 HydrophobicContact CB-CB 4.21Å; E439-E442 HydrophobicContact CB-CG 4.09Å; E439-E442 PolarHBondContact O-N 3.26Å; E439-T443 PolarHBondContact O-N 3.26Å; E439-T443 PolarHBondContact O-OG1 3.42Å
440A87.1Confident91.2Very high2 Ų238.3 Ų38.32%0.01721%0.209CC..Hα-helixtrans-55-40.9-179.500000112.6V185 M361 Y389 K436 E442 A444V185-A440 HydrophobicContact CG2-CB 4.41Å; M361-A440 HydrophobicContact CB-CB 4.01Å; Y389-A440 WeakPolarHBondContact OH-CB 3.43Å; K436-A440 HydrophobicContact CD-CB 4.17Å; A440-E442 VanDerWaalsContact C-N 3.28Å; A440-E442 PolarHBondContact O-N 3.31Å; A440-A444 WeakPolarHBondContact O-CB 3.33Å; A440-A444 PolarHBondContact O-N 3.43Å
441T89Confident91.6Very high12 Ų1232.9 Ų32.97%0.07417%0.174CC..Hα-helixtrans-60.5-36.6177.3-53.10000112.4E439 R569 L571 M608E439-T441 PolarHBondContact O-N 3.37Å; T441-R569 PolarHBondContact OG1-NH1 3.33Å; T441-R569 VanDerWaalsContact OG1-NH1 3.08Å; T441-L571 HydrophobicContact CG2-CD1 3.82Å; T441-M608 HydrophobicContact CG2-CE 4.06Å; T441-M608 HydrophobicContact CG2-SD 3.51Å; T441-M608 VanDerWaalsContact CG2-SD 3.51Å
442E93.6Very high92.3Very high15 Ų1527 Ų277%0.0715%0.149CC..Hα-helixtrans-85.9-38.1-176.9-67.6-160.515900112.2N421 D422 S423 E439 A440 A444 L445 C446 K524N421-E442 PolarHBondContact ND2-O 3.05Å; N421-E442 WeakPolarHBondContact OD1-CB 3.47Å; N421-E442 PolarHBondContact OD1-OE2 3.46Å; D422-E442 PolarHBondContact N-OE2 2.96Å; D422-E442 VanDerWaalsContact N-OE2 3.14Å; S423-E442 PolarHBondContact N-OE2 3.14Å; S423-E442 WeakPolarHBondContact OG-CB 3.38Å; S423-E442 PolarHBondContact OG-OE2 3.37Å; E439-E442 HydrophobicContact CB-CB 4.21Å; E439-E442 HydrophobicContact CB-CG 4.09Å; E439-E442 PolarHBondContact O-N 3.26Å; A440-E442 VanDerWaalsContact C-N 3.28Å; A440-E442 PolarHBondContact O-N 3.31Å; E442-A444 PolarHBondContact O-N 3.45Å; E442-L445 WeakPolarHBondContact O-CA 3.48Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 3.33Å; E442-C446 PolarHBondContact O-N 3.29Å; E442-C446 VanDerWaalsContact O-N 3.08Å; E442-K524 WeakPolarHBondContact OE1-CE 3.36Å; E442-K524 IonicContact OE1-NZ 3.2Å; E442-K524 PolarHBondContact OE1-NZ 3.39Å; E442-K524 IonicContact OE2-NZ 3.67Å
443T94.9Very high92.7Very high0 Ų022.5 Ų22.50%013%0.129CC..Hα-helixtrans-59-36.4170.6-55.10000111.3Y389 A424 I425 K436 E439 L445 C446 C447Y389-T443 HydrophobicContact CD1-CG2 3.6Å; Y389-T443 HydrophobicContact CE1-CG2 3.8Å; Y389-T443 HydrophobicContact CG-CG2 4.03Å; A424-T443 PolarHBondContact O-OG1 2.98Å; I425-T443 HydrophobicContact CG1-CG2 3.67Å; K436-T443 HydrophobicContact CB-CG2 3.73Å; K436-T443 WeakPolarHBondContact CB-OG1 3.35Å; E439-T443 PolarHBondContact O-N 3.26Å; E439-T443 PolarHBondContact O-OG1 3.42Å; T443-L445 PolarHBondContact O-N 3.34Å; T443-C446 WeakPolarHBondContact O-CB 3.48Å; T443-C446 PolarHBondContact O-N 3.36Å; T443-C447 WeakPolarHBondContact O-CB 3.49Å; T443-C447 PolarHBondContact O-N 3.36Å
444A94.6Very high93Very high1 Ų120 Ų201%0.00811%0.114CC..Hα-helixtrans-57.7-36.5172.700000112.5M361 V363 A440 E442 L448 M608M361-A444 HydrophobicContact CB-CB 4.19Å; M361-A444 HydrophobicContact CG-CB 3.97Å; M361-A444 WeakPolarHBondContact O-CB 3.5Å; V363-A444 HydrophobicContact CG2-CB 4.28Å; A440-A444 WeakPolarHBondContact O-CB 3.33Å; A440-A444 PolarHBondContact O-N 3.43Å; E442-A444 PolarHBondContact O-N 3.45Å; A444-L448 WeakPolarHBondContact O-CB 3.39Å; A444-L448 PolarHBondContact O-N 2.88Å; A444-M608 HydrophobicContact CB-SD 4.21Å
445L96.8Very high93Very high0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-72.6-39.6176.4-56.2179.1000111.6V363 C417 E442 T443 C447 L448 V449 K524 L571 V606 M608V363-L445 HydrophobicContact CG2-CD2 4.23Å; C417-L445 HydrophobicContact CB-CB 4.08Å; E442-L445 WeakPolarHBondContact O-CA 3.48Å; E442-L445 WeakPolarHBondContact O-CB 3.49Å; E442-L445 PolarHBondContact O-N 3.33Å; T443-L445 PolarHBondContact O-N 3.34Å; L445-C447 VanDerWaalsContact C-N 3.29Å; L445-C447 PolarHBondContact O-N 2.96Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.78Å; L445-V449 WeakPolarHBondContact O-CG2 3.3Å; L445-V449 PolarHBondContact O-N 3.01Å; L445-K524 HydrophobicContact CD1-CD 3.96Å; L445-L571 HydrophobicContact CD1-CD1 4.32Å; L445-V606 HydrophobicContact CD2-CG2 3.76Å; L445-M608 HydrophobicContact CD2-CE 3.71Å; L445-M608 HydrophobicContact CG-CE 4.37Å
446C96.1Very high93.1Very high2 Ų225.2 Ų25.21%0.01414%0.135CC..Hα-helixtrans-58.4-45.8172.5-61.80000110.5N421 S423 I425 E442 T443 L448 V449 E450 M469 N472N421-C446 PolarHBondContact ND2-SG 2.87Å; S423-C446 PolarHBondContact O-SG 3.17Å; S423-C446 VanDerWaalsContact O-SG 3.36Å; I425-C446 HydrophobicContact CD1-CB 4.03Å; I425-C446 HydrophobicContact CG1-CB 4.15Å; E442-C446 PolarHBondContact O-N 3.29Å; E442-C446 VanDerWaalsContact O-N 3.08Å; T443-C446 WeakPolarHBondContact O-CB 3.48Å; T443-C446 PolarHBondContact O-N 3.36Å; C446-L448 VanDerWaalsContact C-N 3.35Å; C446-L448 PolarHBondContact O-N 2.92Å; C446-V449 WeakPolarHBondContact O-CB 3.27Å; C446-V449 PolarHBondContact O-N 2.85Å; C446-E450 PolarHBondContact O-N 3.14Å; C446-E450 VanDerWaalsContact O-N 3.14Å; C446-M469 HydrophobicContact CB-SD 4.23Å; C446-N472 PolarHBondContact O-ND2 3.13Å
447C95.5Very high93.1Very high4 Ų422.9 Ų22.93%0.02713%0.127CC..Hα-helixtrans-63.3-41.2179-170.20000111.5Y389 A390 I425 T443 L445 V449 E450 K451Y389-C447 PolarHBondContact O-SG 3.27Å; A390-C447 PolarHBondContact O-SG 2.76Å; A390-C447 VanDerWaalsContact O-SG 3.36Å; I425-C447 HydrophobicContact CD1-CB 3.8Å; T443-C447 WeakPolarHBondContact O-CB 3.49Å; T443-C447 PolarHBondContact O-N 3.36Å; L445-C447 VanDerWaalsContact C-N 3.29Å; L445-C447 PolarHBondContact O-N 2.96Å; C447-V449 VanDerWaalsContact C-N 3.33Å; C447-V449 PolarHBondContact O-N 2.93Å; C447-E450 PolarHBondContact O-N 2.8Å; C447-K451 WeakPolarHBondContact O-CG 3.35Å; C447-K451 PolarHBondContact O-N 2.96Å; C447-K451 WeakPolarHBondContact SG-CE 3.39Å
448L96.8Very high93.2Very high2 Ų223.1 Ų23.11%0.0113%0.132CC..Hα-helixtrans-57.2-45.7173.6175.468.1000111.6V363 M366 I384 A444 L445 C446 E450 K451 M452 V606V363-L448 HydrophobicContact CB-CB 4.25Å; V363-L448 HydrophobicContact CB-CD1 4.17Å; V363-L448 HydrophobicContact CB-CD2 4.34Å; V363-L448 HydrophobicContact CB-CG 4.48Å; V363-L448 HydrophobicContact CG1-CD1 4.04Å; V363-L448 HydrophobicContact CG1-CD2 4.05Å; V363-L448 HydrophobicContact CG2-CB 4.06Å; V363-L448 HydrophobicContact CG2-CD2 4.16Å; M366-L448 HydrophobicContact SD-CD1 4.4Å; I384-L448 HydrophobicContact CD1-CD1 4.34Å; I384-L448 HydrophobicContact CG1-CD1 3.86Å; I384-L448 HydrophobicContact CG2-CD1 4.32Å; A444-L448 WeakPolarHBondContact O-CB 3.39Å; A444-L448 PolarHBondContact O-N 2.88Å; L445-L448 WeakPolarHBondContact O-CB 3.31Å; L445-L448 PolarHBondContact O-N 2.78Å; C446-L448 VanDerWaalsContact C-N 3.35Å; C446-L448 PolarHBondContact O-N 2.92Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.23Å; L448-K451 PolarHBondContact O-N 3.33Å; L448-K451 VanDerWaalsContact O-N 3.15Å; L448-M452 HydrophobicContact CD1-CG 3.97Å; L448-M452 HydrophobicContact CD1-SD 3.94Å; L448-M452 HydrophobicContact CD2-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 4.18Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.47Å; L448-M452 PolarHBondContact O-N 3.37Å; L448-V606 HydrophobicContact CD2-CG1 3.78Å
449V97.1Very high93.3Very high2 Ų223.4 Ų23.41%0.01212%0.119CC..Hα-helixtrans-60.3-42.1179170.40000111.2A414 C417 A418 L445 C446 C447 M452 N453 C471 I475A414-V449 HydrophobicContact CB-CG2 4.47Å; A414-V449 WeakPolarHBondContact O-CG2 3.34Å; C417-V449 HydrophobicContact CB-CG2 3.58Å; A418-V449 HydrophobicContact CB-CG1 4.25Å; A418-V449 HydrophobicContact CB-CG2 4.07Å; L445-V449 WeakPolarHBondContact O-CG2 3.3Å; L445-V449 PolarHBondContact O-N 3.01Å; C446-V449 WeakPolarHBondContact O-CB 3.27Å; C446-V449 PolarHBondContact O-N 2.85Å; C447-V449 VanDerWaalsContact C-N 3.33Å; C447-V449 PolarHBondContact O-N 2.93Å; V449-M452 PolarHBondContact O-N 2.77Å; V449-N453 PolarHBondContact O-N 3.19Å; V449-N453 VanDerWaalsContact O-N 3.12Å; V449-C471 HydrophobicContact CG1-CB 4.2Å; V449-I475 HydrophobicContact CG1-CD1 3.74Å
450E96.1Very high93.5Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-62.8-41.4175-64.5-53.7138.300112.1P391 C446 C447 L448 K459 M469 V470 C471 N472P391-E450 HydrophobicContact CB-CB 3.61Å; P391-E450 HydrophobicContact CB-CG 4.02Å; C446-E450 PolarHBondContact O-N 3.14Å; C446-E450 VanDerWaalsContact O-N 3.14Å; C447-E450 PolarHBondContact O-N 2.8Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-E450 PolarHBondContact O-N 3.23Å; E450-K459 PolarHBondContact O-NZ 3.48Å; E450-K459 IonicContact OE2-NZ 3.67Å; E450-M469 VanDerWaalsContact OE1-CA 3.29Å; E450-M469 WeakPolarHBondContact OE1-CA 3.46Å; E450-V470 PolarHBondContact OE1-N 3.02Å; E450-V470 WeakPolarHBondContact OE2-CG1 3.07Å; E450-C471 PolarHBondContact OE1-N 2.88Å; E450-C471 VanDerWaalsContact OE2-CB 3.27Å; E450-C471 WeakPolarHBondContact OE2-CB 3.5Å; E450-C471 PolarHBondContact OE2-N 3.43Å; E450-C471 PolarHBondContact OE2-SG 3.35Å; E450-C471 VanDerWaalsContact OE2-SG 3.41Å; E450-N472 PolarHBondContact OE1-N 3.32Å; E450-N472 PolarHBondContact OE1-ND2 3.06Å
451K95.2Very high93.5Very high18 Ų1830.9 Ų30.98%0.07819%0.188CC..Hα-helixtrans-68.7-37.9178.3-69173.2179.9-179.50112.7I384 T385 G386 E392 C447 L448I384-K451 HydrophobicContact CG2-CD 3.76Å; T385-K451 WeakPolarHBondContact O-CE 3.46Å; T385-K451 PolarHBondContact O-NZ 2.95Å; G386-K451 PolarHBondContact O-NZ 2.95Å; E392-K451 VanDerWaalsContact O-CE 3.28Å; E392-K451 WeakPolarHBondContact O-CE 3.43Å; C447-K451 WeakPolarHBondContact O-CG 3.35Å; C447-K451 PolarHBondContact O-N 2.96Å; C447-K451 WeakPolarHBondContact SG-CE 3.39Å; L448-K451 PolarHBondContact O-N 3.33Å; L448-K451 VanDerWaalsContact O-N 3.15Å
452M96Very high93.6Very high8 Ų833.3 Ų33.34%0.03920%0.201CC..Hα-helixtrans-69.6-39.9-179.8-70.8173.572.700112.3M366 V395 S404 L410 V413 A414 L448 V449 V454M366-M452 HydrophobicContact CE-CE 4.12Å; M366-M452 HydrophobicContact CE-CG 4.44Å; M366-M452 HydrophobicContact CE-SD 4.36Å; M366-M452 HydrophobicContact SD-CE 4.25Å; M366-M452 HydrophobicContact SD-SD 4.19Å; V395-M452 HydrophobicContact CG2-CG 4.23Å; S404-M452 WeakPolarHBondContact CB-O 3.5Å; L410-M452 HydrophobicContact CB-CE 3.64Å; L410-M452 HydrophobicContact CD1-CE 4.43Å; L410-M452 HydrophobicContact CD2-CE 4.11Å; L410-M452 HydrophobicContact CG-CE 4.27Å; L410-M452 WeakPolarHBondContact O-CE 3.4Å; V413-M452 HydrophobicContact CG1-CE 4.34Å; A414-M452 HydrophobicContact CB-CE 4.06Å; A414-M452 HydrophobicContact CB-SD 4.25Å; L448-M452 HydrophobicContact CD1-CG 3.97Å; L448-M452 HydrophobicContact CD1-SD 3.94Å; L448-M452 HydrophobicContact CD2-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 4.18Å; L448-M452 HydrophobicContact CG-SD 3.68Å; L448-M452 VanDerWaalsContact O-CG 3.27Å; L448-M452 WeakPolarHBondContact O-CG 3.47Å; L448-M452 PolarHBondContact O-N 3.37Å; V449-M452 PolarHBondContact O-N 2.77Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.9Å; M452-V454 HydrophobicContact CE-CG1 3.81Å; M452-V454 PolarHBondContact O-N 3.03Å
453N95.4Very high93.5Very high37 Ų3735.2 Ų35.220%0.19822%0.216CC..  trans43.451.2-178.6-167.99.7000113.3V449 Y455 K456 T457 C471V449-N453 PolarHBondContact O-N 3.19Å; V449-N453 VanDerWaalsContact O-N 3.12Å; N453-Y455 PolarHBondContact O-N 3.21Å; N453-K456 PolarHBondContact O-N 3.37Å; N453-K456 PolarHBondContact OD1-N 3.16Å; N453-T457 PolarHBondContact ND2-O 2.9Å; N453-T457 VanDerWaalsContact OD1-CB 3.31Å; N453-T457 WeakPolarHBondContact OD1-CB 3.34Å; N453-T457 PolarHBondContact OD1-N 2.89Å; N453-T457 PolarHBondContact OD1-OG1 3.22Å; N453-T457 VanDerWaalsContact OD1-OG1 3.1Å; N453-C471 PolarHBondContact OD1-SG 3.27Å
454V94.4Very high93.3Very high12 Ų1240.6 Ų40.67%0.07324%0.239CC..THydrogen-bonded Turntrans-60.8-20.9-168.6-62.30000114.5G405 V411 A414 M452G405-V454 VanDerWaalsContact CA-O 3.23Å; G405-V454 WeakPolarHBondContact CA-O 3.47Å; V411-V454 HydrophobicContact CG1-CG2 4.43Å; V411-V454 HydrophobicContact CG2-CB 4.2Å; A414-V454 HydrophobicContact CB-CB 4.42Å; A414-V454 HydrophobicContact CB-CG1 3.7Å; A414-V454 HydrophobicContact CB-CG2 3.78Å; M452-V454 VanDerWaalsContact C-N 3.28Å; M452-V454 HydrophobicContact CB-CG1 3.9Å; M452-V454 HydrophobicContact CE-CG1 3.81Å; M452-V454 PolarHBondContact O-N 3.03Å
455Y92Very high93.2Very high57 Ų5745.7 Ų45.722%0.22426%0.261CS..THydrogen-bonded Turntrans-102.512.3177.9-65.9-70.9000113.8V411 N415 N453 T457 Q474 I475 M478V411-Y455 HydrophobicContact CG1-CE1 4.2Å; V411-Y455 HydrophobicContact CG1-CE2 4.42Å; V411-Y455 WeakPolarHBondContact CG1-OH 3.28Å; N415-Y455 PolarHBondContact ND2-OH 3.22Å; N415-Y455 VanDerWaalsContact ND2-OH 3.12Å; N453-Y455 PolarHBondContact O-N 3.21Å; Y455-T457 PolarHBondContact O-N 3.3Å; Y455-Q474 VanDerWaalsContact CB-NE2 3.26Å; Y455-I475 HydrophobicContact CD2-CG1 4.17Å; Y455-I475 HydrophobicContact CE2-CD1 4.41Å; Y455-I475 HydrophobicContact CE2-CG1 3.95Å; Y455-M478 HydrophobicContact CD2-CE 3.97Å; Y455-M478 HydrophobicContact CE1-CE 4.37Å; Y455-M478 HydrophobicContact CE2-CE 3.26Å; Y455-M478 HydrophobicContact CE2-SD 4.35Å; Y455-M478 VanDerWaalsContact CZ-CE 3.5Å
456K92.2Very high92.8Very high129 Ų12949.9 Ų49.956%0.56128%0.283SS*.  trans51.842.9180-56.6-176.2-179.8-168.30112.6E403 N453 S458E403-K456 IonicContact OE1-NZ 2.69Å; E403-K456 WeakPolarHBondContact OE2-CE 3.33Å; E403-K456 IonicContact OE2-NZ 3.93Å; E403-K456 PolarHBondContact OE2-NZ 3.21Å; N453-K456 PolarHBondContact O-N 3.37Å; N453-K456 PolarHBondContact OD1-N 3.16Å; K456-S458 PolarHBondContact O-N 2.81Å
457T91Very high92.6Very high23 Ų2351.5 Ų51.514%0.14129%0.292CS..  trans-56.6130.4175.4-42.50000109.5N453 Y455 K459 V470 Q474N453-T457 PolarHBondContact ND2-O 2.9Å; N453-T457 VanDerWaalsContact OD1-CB 3.31Å; N453-T457 WeakPolarHBondContact OD1-CB 3.34Å; N453-T457 PolarHBondContact OD1-N 2.89Å; N453-T457 PolarHBondContact OD1-OG1 3.22Å; N453-T457 VanDerWaalsContact OD1-OG1 3.1Å; Y455-T457 PolarHBondContact O-N 3.3Å; T457-K459 PolarHBondContact O-N 3.19Å; T457-V470 HydrophobicContact CG2-CG2 3.92Å; T457-Q474 VanDerWaalsContact CB-OE1 3.29Å; T457-Q474 PolarHBondContact OG1-OE1 2.85Å
458S91.7Very high92.4Very high82 Ų8251.9 Ų51.957%0.57330%0.295SS*.  trans-68.1121.4175-174.90000109.7K456 S460K456-S458 PolarHBondContact O-N 2.81Å; S458-S460 PolarHBondContact OG-OG 2.91Å; S458-S460 VanDerWaalsContact OG-OG 3.1Å
459K89.9Confident92.3Very high56 Ų5652.3 Ų52.324%0.24330%0.297CS..  trans-100.1-7.6175.7-65.1-167.6-179.5-166.30113E450 T457 G461 L467 V470 C471E450-K459 PolarHBondContact O-NZ 3.48Å; E450-K459 IonicContact OE2-NZ 3.67Å; T457-K459 PolarHBondContact O-N 3.19Å; K459-G461 PolarHBondContact O-N 3.27Å; K459-L467 HydrophobicContact CB-CD2 3.72Å; K459-L467 HydrophobicContact CD-CD2 4.12Å; K459-L467 HydrophobicContact CG-CD2 4.09Å; K459-V470 HydrophobicContact CG-CG1 4.25Å; K459-C471 VanDerWaalsContact CE-SG 3.54Å
460S87.5Confident92.2Very high99 Ų9953.5 Ų53.569%0.69230%0.304SS*.THydrogen-bonded Turntrans-70.3130-17660.50000111.6S458 L462S458-S460 PolarHBondContact OG-OG 2.91Å; S458-S460 VanDerWaalsContact OG-OG 3.1Å; S460-L462 VanDerWaalsContact C-N 3.33Å
461G88Confident92.2Very high89 Ų8953.8 Ų53.892%0.91831%0.306SS*.THydrogen-bonded Turntrans84.11176.500000115.1K459K459-G461 PolarHBondContact O-N 3.27Å
462L90.6Very high92.2Very high64 Ų6453 Ų5334%0.33530%0.302SS..  trans-79.7146.5174-65.6179.9000111.2S460 D466 L467 V470S460-L462 VanDerWaalsContact C-N 3.33Å; L462-D466 HydrophobicContact CB-CB 4.12Å; L462-D466 HydrophobicContact CD2-CB 4.28Å; L462-L467 HydrophobicContact CB-CD2 3.98Å; L462-L467 HydrophobicContact CB-CG 3.98Å; L462-L467 HydrophobicContact CD1-CD2 4.21Å; L462-V470 HydrophobicContact CD1-CB 4.17Å; L462-V470 HydrophobicContact CD1-CG1 4.3Å; L462-V470 HydrophobicContact CD1-CG2 3.74Å
463S92.4Very high92.1Very high55 Ų5557.6 Ų57.639%0.38532%0.324SS..  trans-68.7159.9172.175.60000110.6K465 D466 L467S463-K465 PolarHBondContact O-N 3.33Å; S463-K465 PolarHBondContact OG-N 3.36Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.07Å; S463-D466 PolarHBondContact O-N 2.95Å; S463-D466 PolarHBondContact OG-N 3.42Å; S463-D466 VanDerWaalsContact OG-N 3.13Å; S463-D466 PolarHBondContact OG-OD2 3Å; S463-L467 WeakPolarHBondContact O-CG 3.19Å; S463-L467 PolarHBondContact O-N 3.28Å
464K90.7Very high92Very high113 Ų11358.6 Ų58.649%0.49133%0.327SS..Hα-helixtrans-55.8-35173.5-72.8-173.6175.4-1750112.2Y427 Y434 L467Y427-K464 HydrophobicContact CD1-CB 4.06Å; Y427-K464 HydrophobicContact CD2-CB 4.07Å; Y427-K464 HydrophobicContact CE1-CB 3.95Å; Y427-K464 HydrophobicContact CE1-CD 4.25Å; Y427-K464 HydrophobicContact CE2-CB 3.96Å; Y427-K464 HydrophobicContact CE2-CD 3.71Å; Y427-K464 HydrophobicContact CE2-CG 4.47Å; Y427-K464 HydrophobicContact CG-CB 4.11Å; Y427-K464 VanDerWaalsContact OH-CD 3.28Å; Y427-K464 WeakPolarHBondContact OH-CD 3.46Å; Y434-K464 VanDerWaalsContact CE1-O 3.29Å; Y434-K464 WeakPolarHBondContact CE1-O 3.06Å; Y434-K464 PolarHBondContact OH-O 3.27Å; K464-L467 PolarHBondContact O-N 3.29Å
465K91Very high92Very high108 Ų10858.1 Ų58.147%0.4732%0.324SS..Hα-helixtrans-63.8-46.4175.1-172.4176.6-176.7171.40111.8S463 L467 S468S463-K465 PolarHBondContact O-N 3.33Å; S463-K465 PolarHBondContact OG-N 3.36Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.48Å; K465-S468 VanDerWaalsContact O-CB 3.31Å; K465-S468 WeakPolarHBondContact O-CB 3.36Å; K465-S468 PolarHBondContact O-N 3.49Å; K465-S468 PolarHBondContact O-OG 2.83Å
466D89.6Confident92.1Very high87 Ų8758.9 Ų58.947%0.46533%0.329SS..Hα-helixtrans-69.8-32179.9-58.5-46.3000112.4L462 S463 S468L462-D466 HydrophobicContact CB-CB 4.12Å; L462-D466 HydrophobicContact CD2-CB 4.28Å; S463-D466 WeakPolarHBondContact CB-OD2 3.42Å; S463-D466 PolarHBondContact N-OD2 3.07Å; S463-D466 PolarHBondContact O-N 2.95Å; S463-D466 PolarHBondContact OG-N 3.42Å; S463-D466 VanDerWaalsContact OG-N 3.13Å; S463-D466 PolarHBondContact OG-OD2 3Å; D466-S468 PolarHBondContact O-N 3.3Å
467L92.4Very high92.1Very high37 Ų3754.7 Ų54.719%0.19432%0.319CS..Hα-helixtrans-63.9-19.7176.7-74.7172.3000113.7P391 K459 L462 S463 K464 K465 M469P391-L467 HydrophobicContact CG-CB 4.36Å; P391-L467 WeakPolarHBondContact CG-O 3.44Å; K459-L467 HydrophobicContact CB-CD2 3.72Å; K459-L467 HydrophobicContact CD-CD2 4.12Å; K459-L467 HydrophobicContact CG-CD2 4.09Å; L462-L467 HydrophobicContact CB-CD2 3.98Å; L462-L467 HydrophobicContact CB-CG 3.98Å; L462-L467 HydrophobicContact CD1-CD2 4.21Å; S463-L467 WeakPolarHBondContact O-CG 3.19Å; S463-L467 PolarHBondContact O-N 3.28Å; K464-L467 PolarHBondContact O-N 3.29Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.48Å; L467-M469 VanDerWaalsContact C-N 3.3Å; L467-M469 PolarHBondContact O-N 3.39Å
468S90.9Very high92Very high12 Ų1253.8 Ų53.88%0.08431%0.313CS..THydrogen-bonded Turntrans-58.4-37.7-176.2620000113.9K465 D466K465-S468 VanDerWaalsContact O-CB 3.31Å; K465-S468 WeakPolarHBondContact O-CB 3.36Å; K465-S468 PolarHBondContact O-N 3.49Å; K465-S468 PolarHBondContact O-OG 2.83Å; D466-S468 PolarHBondContact O-N 3.3Å
469M93.8Very high92Very high11 Ų1150.3 Ų50.35%0.05429%0.288CS..THydrogen-bonded Turntrans-140.613.8-167.7-71.6-70.4-71.400113.3A424 I425 C446 E450 L467 C471 N472 H473A424-M469 HydrophobicContact CB-CE 3.9Å; A424-M469 HydrophobicContact CB-SD 4.12Å; I425-M469 HydrophobicContact CB-SD 4.25Å; I425-M469 HydrophobicContact CG1-SD 4.47Å; I425-M469 PolarHBondContact N-SD 3.3Å; I425-M469 WeakPolarHBondContact O-CG 3.45Å; C446-M469 HydrophobicContact CB-SD 4.23Å; E450-M469 VanDerWaalsContact OE1-CA 3.29Å; E450-M469 WeakPolarHBondContact OE1-CA 3.46Å; L467-M469 VanDerWaalsContact C-N 3.3Å; L467-M469 PolarHBondContact O-N 3.39Å; M469-C471 PolarHBondContact O-N 2.89Å; M469-N472 HydrophobicContact CE-CB 3.8Å; M469-N472 PolarHBondContact O-N 3.27Å; M469-N472 HydrophobicContact SD-CB 4.27Å; M469-H473 WeakPolarHBondContact O-CB 3.4Å; M469-H473 PolarHBondContact O-N 3.46Å
470V95.4Very high92.1Very high27 Ų2751 Ų5116%0.16429%0.294CS..Hα-helixtrans-60.5-44.7-170.967.40000113.5E450 T457 K459 L462 Q474E450-V470 PolarHBondContact OE1-N 3.02Å; E450-V470 WeakPolarHBondContact OE2-CG1 3.07Å; T457-V470 HydrophobicContact CG2-CG2 3.92Å; K459-V470 HydrophobicContact CG-CG1 4.25Å; L462-V470 HydrophobicContact CD1-CB 4.17Å; L462-V470 HydrophobicContact CD1-CG1 4.3Å; L462-V470 HydrophobicContact CD1-CG2 3.74Å; V470-Q474 PolarHBondContact O-N 3.2Å
471C95.6Very high92.4Very high5 Ų549.7 Ų49.73%0.03428%0.276CS..Hα-helixtrans-71.1-38.9178.5-64.60000111.1V449 E450 N453 K459 M469 Q474 I475V449-C471 HydrophobicContact CG1-CB 4.2Å; E450-C471 PolarHBondContact OE1-N 2.88Å; E450-C471 VanDerWaalsContact OE2-CB 3.27Å; E450-C471 WeakPolarHBondContact OE2-CB 3.5Å; E450-C471 PolarHBondContact OE2-N 3.43Å; E450-C471 PolarHBondContact OE2-SG 3.35Å; E450-C471 VanDerWaalsContact OE2-SG 3.41Å; N453-C471 PolarHBondContact OD1-SG 3.27Å; K459-C471 VanDerWaalsContact CE-SG 3.54Å; M469-C471 PolarHBondContact O-N 2.89Å; C471-Q474 PolarHBondContact O-N 3.49Å; C471-I475 PolarHBondContact O-N 3.2Å; C471-I475 VanDerWaalsContact O-N 3.09Å
472N95.7Very high92.6Very high1 Ų148.4 Ų48.41%0.00525%0.246CC..Hα-helixtrans-60.4-47.2174-77.7-88.1000111.1C446 E450 M469 Q474 I475 Q476C446-N472 PolarHBondContact O-ND2 3.13Å; E450-N472 PolarHBondContact OE1-N 3.32Å; E450-N472 PolarHBondContact OE1-ND2 3.06Å; M469-N472 HydrophobicContact CE-CB 3.8Å; M469-N472 PolarHBondContact O-N 3.27Å; M469-N472 HydrophobicContact SD-CB 4.27Å; N472-Q474 VanDerWaalsContact C-N 3.31Å; N472-Q474 PolarHBondContact O-N 3.25Å; N472-I475 PolarHBondContact O-N 2.86Å; N472-I475 VanDerWaalsContact O-N 3.08Å; N472-Q476 WeakPolarHBondContact O-CB 3.42Å; N472-Q476 VanDerWaalsContact O-CG 3.29Å; N472-Q476 WeakPolarHBondContact O-CG 3.48Å; N472-Q476 PolarHBondContact O-N 3.1Å
473H94.6Very high92.7Very high106 Ų10647 Ų4749%0.49124%0.237SC..Hα-helixtrans-60.7-39.4176.8-71.4165000111.9M469 I475 Q476 A477M469-H473 WeakPolarHBondContact O-CB 3.4Å; M469-H473 PolarHBondContact O-N 3.46Å; H473-I475 VanDerWaalsContact C-N 3.31Å; H473-I475 PolarHBondContact O-N 2.93Å; H473-Q476 PolarHBondContact CD2-OE1 3.02Å; H473-Q476 PolarHBondContact O-N 3.41Å; H473-A477 WeakPolarHBondContact O-CB 3.43Å; H473-A477 PolarHBondContact O-N 2.88Å
474Q93.3Very high92.7Very high58 Ų5846.4 Ų46.427%0.27123%0.231SC..Hα-helixtrans-60.9-41.4174179.6170.6-16.400111.6Y455 T457 V470 C471 N472 A477 M478Y455-Q474 VanDerWaalsContact CB-NE2 3.26Å; T457-Q474 VanDerWaalsContact CB-OE1 3.29Å; T457-Q474 PolarHBondContact OG1-OE1 2.85Å; V470-Q474 PolarHBondContact O-N 3.2Å; C471-Q474 PolarHBondContact O-N 3.49Å; N472-Q474 VanDerWaalsContact C-N 3.31Å; N472-Q474 PolarHBondContact O-N 3.25Å; Q474-A477 PolarHBondContact O-N 3.48Å; Q474-M478 WeakPolarHBondContact O-CG 3.43Å
475I93.5Very high92.8Very high2 Ų241 Ų411%0.0121%0.208CC..Hα-helixtrans-66.7-47.8176.4-67.6176.7000111.3A414 N415 A418 M419 V449 Y455 C471 N472 H473 A477 M478A414-I475 HydrophobicContact CB-CD1 4.14Å; N415-I475 WeakPolarHBondContact OD1-CG2 3.4Å; A418-I475 HydrophobicContact CB-CB 3.97Å; A418-I475 HydrophobicContact CB-CD1 3.97Å; A418-I475 HydrophobicContact CB-CG2 3.71Å; M419-I475 HydrophobicContact CG-CG2 4Å; M419-I475 HydrophobicContact SD-CG2 4.19Å; V449-I475 HydrophobicContact CG1-CD1 3.74Å; Y455-I475 HydrophobicContact CD2-CG1 4.17Å; Y455-I475 HydrophobicContact CE2-CD1 4.41Å; Y455-I475 HydrophobicContact CE2-CG1 3.95Å; C471-I475 PolarHBondContact O-N 3.2Å; C471-I475 VanDerWaalsContact O-N 3.09Å; N472-I475 PolarHBondContact O-N 2.86Å; N472-I475 VanDerWaalsContact O-N 3.08Å; H473-I475 VanDerWaalsContact C-N 3.31Å; H473-I475 PolarHBondContact O-N 2.93Å; I475-A477 PolarHBondContact O-N 3.37Å; I475-M478 HydrophobicContact CB-CE 4.23Å; I475-M478 HydrophobicContact CG1-CE 4.02Å; I475-M478 HydrophobicContact CG2-CE 4.38Å; I475-M478 WeakPolarHBondContact O-CB 3.42Å; I475-M478 PolarHBondContact O-N 3.1Å
476Q93.4Very high92.6Very high72 Ų7239.5 Ų39.534%0.33620%0.203SC..Hα-helixtrans-60.8-29.4177.5-68.9170.7-3.800112.5M419 N472 H473 M478 K501M419-Q476 HydrophobicContact SD-CB 4.21Å; M419-Q476 HydrophobicContact SD-CG 3.75Å; N472-Q476 WeakPolarHBondContact O-CB 3.42Å; N472-Q476 VanDerWaalsContact O-CG 3.29Å; N472-Q476 WeakPolarHBondContact O-CG 3.48Å; N472-Q476 PolarHBondContact O-N 3.1Å; H473-Q476 PolarHBondContact CD2-OE1 3.02Å; H473-Q476 PolarHBondContact O-N 3.41Å; Q476-M478 PolarHBondContact O-N 3.49Å; Q476-K501 PolarHBondContact O-NZ 3.43Å
477A92.4Very high92.5Very high42 Ų4237.5 Ų37.535%0.34719%0.19SC..Hα-helixtrans-64.5-29173.700000112.5H473 Q474 I475 K501H473-A477 WeakPolarHBondContact O-CB 3.43Å; H473-A477 PolarHBondContact O-N 2.88Å; Q474-A477 PolarHBondContact O-N 3.48Å; I475-A477 PolarHBondContact O-N 3.37Å; A477-K501 VanDerWaalsContact O-CD 3.31Å; A477-K501 WeakPolarHBondContact O-CD 3.21Å; A477-K501 PolarHBondContact O-NZ 3.35Å
478M90.6Very high91.9Very high3 Ų335.9 Ų35.92%0.01518%0.181CC..Hα-helixtrans-81.4-25.9-177.8-59.1-172.7-71.800114.2Y455 Q474 I475 Q476 K501 F504Y455-M478 HydrophobicContact CD2-CE 3.97Å; Y455-M478 HydrophobicContact CE1-CE 4.37Å; Y455-M478 HydrophobicContact CE2-CE 3.26Å; Y455-M478 HydrophobicContact CE2-SD 4.35Å; Y455-M478 VanDerWaalsContact CZ-CE 3.5Å; Q474-M478 WeakPolarHBondContact O-CG 3.43Å; I475-M478 HydrophobicContact CB-CE 4.23Å; I475-M478 HydrophobicContact CG1-CE 4.02Å; I475-M478 HydrophobicContact CG2-CE 4.38Å; I475-M478 WeakPolarHBondContact O-CB 3.42Å; I475-M478 PolarHBondContact O-N 3.1Å; Q476-M478 PolarHBondContact O-N 3.49Å; M478-K501 WeakPolarHBondContact O-CB 3.46Å; M478-K501 PolarHBondContact O-N 3.25Å; M478-F504 HydrophobicContact CB-CB 4.02Å; M478-F504 HydrophobicContact CB-CD2 4.48Å; M478-F504 HydrophobicContact CB-CG 4.12Å; M478-F504 HydrophobicContact CG-CB 4.07Å; M478-F504 HydrophobicContact CG-CD1 3.83Å; M478-F504 HydrophobicContact CG-CD2 4.46Å; M478-F504 HydrophobicContact CG-CE1 4.38Å; M478-F504 HydrophobicContact CG-CG 3.87Å
479W91.1Very high90.8Very high9 Ų938.4 Ų38.43%0.03419%0.189CC..EExtended strand (participates in β ladder)trans-112.7145.9-174.5-63.297.6000111.6N415 M419 L498 V500 K501 V508 R520 F522N415-W479 PolarHBondContact OD1-NE1 3.22Å; M419-W479 HydrophobicContact CE-CB 3.61Å; M419-W479 HydrophobicContact CE-CG 4.44Å; M419-W479 HydrophobicContact CG-CB 4.33Å; M419-W479 HydrophobicContact CG-CG 4.18Å; M419-W479 HydrophobicContact SD-CB 3.94Å; M419-W479 HydrophobicContact SD-CG 4.32Å; W479-L498 HydrophobicContact CD2-CB 4.48Å; W479-L498 HydrophobicContact CD2-CD1 4.27Å; W479-L498 HydrophobicContact CE3-CB 3.71Å; W479-L498 HydrophobicContact CE3-CD1 4.18Å; W479-L498 HydrophobicContact CG-CD1 4.49Å; W479-L498 HydrophobicContact CZ3-CB 4.19Å; W479-V500 HydrophobicContact CD2-CG2 4.38Å; W479-V500 HydrophobicContact CE3-CG2 3.7Å; W479-V500 HydrophobicContact CH2-CG2 3.52Å; W479-V500 HydrophobicContact CZ2-CG2 4.19Å; W479-V500 HydrophobicContact CZ3-CB 4.37Å; W479-V500 HydrophobicContact CZ3-CG2 3.25Å; W479-K501 WeakPolarHBondContact O-CE 3.47Å; W479-K501 PolarHBondContact O-NZ 3.22Å; W479-V508 HydrophobicContact CH2-CG1 3.6Å; W479-V508 HydrophobicContact CZ2-CB 4.43Å; W479-V508 HydrophobicContact CZ2-CG1 3.45Å; W479-V508 VanDerWaalsContact CZ2-CG1 3.45Å; W479-V508 HydrophobicContact CZ2-CG2 4.06Å; W479-R520 HydrophobicContact CH2-CB 4.45Å; W479-R520 HydrophobicContact CH2-CG 4.03Å; W479-R520 HydrophobicContact CZ3-CB 4.14Å; W479-R520 HydrophobicContact CZ3-CG 3.97Å; W479-F522 AromaticContact CH2-CZ 3.79Å; W479-F522 HydrophobicContact CH2-CZ 3.79Å; W479-F522 HydrophobicContact CZ2-CE2 4.14Å; W479-F522 AromaticContact CZ2-CZ 3.6Å; W479-F522 HydrophobicContact CZ2-CZ 3.6Å; W479-F522 HydrophobicContact CZ3-CZ 4.41Å
480N91.1Very high89.9Confident72 Ų7242.9 Ų42.939%0.38521%0.213SC..EExtended strand (participates in β ladder)trans-97113.3162.6-161.236.9000108.5E482 L498 Q499 K501N480-E482 PolarHBondContact ND2-OE1 3.5Å; N480-E482 PolarHBondContact O-N 3.09Å; N480-L498 WeakPolarHBondContact O-CA 3.47Å; N480-Q499 PolarHBondContact N-O 3.3Å; N480-Q499 PolarHBondContact O-N 3.34Å; N480-K501 HydrophobicContact CB-CG 4.44Å
481K93.5Very high89.4Confident70 Ų7042 Ų4230%0.30421%0.207SC..EExtended strand (participates in β ladder)trans-83101.9173.9-177.4174.5171.5178.10108.2M419 N421 D422 T484 V496 L498M419-K481 HydrophobicContact CE-CB 3.82Å; N421-K481 PolarHBondContact O-NZ 3.11Å; D422-K481 IonicContact OD1-NZ 2.66Å; D422-K481 PolarHBondContact OD1-NZ 2.86Å; K481-T484 WeakPolarHBondContact CE-OG1 3.33Å; K481-T484 PolarHBondContact NZ-OG1 3.4Å; K481-V496 HydrophobicContact CD-CG1 4.3Å; K481-V496 HydrophobicContact CG-CB 4.49Å; K481-L498 HydrophobicContact CB-CD2 3.8Å; K481-L498 HydrophobicContact CG-CD2 4.01Å
482E92.6Very high89.1Confident62 Ų6246.2 Ų46.229%0.2923%0.225SC..EExtended strand (participates in β ladder)trans-73.6-47.8-177-67-83.4135.100110.7N480 Y497 K582N480-E482 PolarHBondContact ND2-OE1 3.5Å; N480-E482 PolarHBondContact O-N 3.09Å; E482-Y497 HydrophobicContact CB-CD1 4.13Å; E482-Y497 HydrophobicContact CG-CD1 4.12Å; E482-Y497 PolarHBondContact N-O 3.15Å; E482-K582 IonicContact OE2-NZ 3.12Å; E482-K582 PolarHBondContact OE2-NZ 3.4Å
483F92.4Very high88.9Confident34 Ų3446.2 Ų46.215%0.14923%0.225CC..EExtended strand (participates in β ladder)trans-161.4162.5177.452.5-92.9000111.4L485 Y497 K582 M585 L587F483-L485 HydrophobicContact CD2-CD2 4.02Å; F483-L485 HydrophobicContact CE2-CD2 3.98Å; F483-Y497 HydrophobicContact CE1-CD1 4.04Å; F483-Y497 HydrophobicContact CE1-CD2 4.39Å; F483-Y497 AromaticContact CE1-CG 3.83Å; F483-Y497 HydrophobicContact CE1-CG 3.83Å; F483-Y497 HydrophobicContact CE2-CD2 4.28Å; F483-Y497 HydrophobicContact CE2-CG 4.03Å; F483-Y497 HydrophobicContact CZ-CD1 4.13Å; F483-Y497 AromaticContact CZ-CD2 3.68Å; F483-Y497 HydrophobicContact CZ-CD2 3.68Å; F483-Y497 HydrophobicContact CZ-CE2 4.47Å; F483-Y497 AromaticContact CZ-CG 3.46Å; F483-Y497 HydrophobicContact CZ-CG 3.46Å; F483-Y497 VanDerWaalsContact CZ-CG 3.46Å; F483-Y497 PolarHBondContact O-N 3.48Å; F483-K582 HydrophobicContact CE1-CB 3.9Å; F483-K582 HydrophobicContact CZ-CB 4.25Å; F483-M585 HydrophobicContact CE2-CE 4.25Å; F483-M585 HydrophobicContact CE2-SD 4.14Å; F483-M585 HydrophobicContact CZ-CE 4.41Å; F483-M585 HydrophobicContact CZ-SD 3.71Å; F483-L587 HydrophobicContact CB-CD1 4.42Å; F483-L587 HydrophobicContact CD1-CD1 4Å; F483-L587 HydrophobicContact CD2-CD1 4.16Å; F483-L587 HydrophobicContact CD2-CD2 3.77Å; F483-L587 HydrophobicContact CE1-CD1 4.3Å; F483-L587 HydrophobicContact CE2-CD1 4.43Å; F483-L587 HydrophobicContact CE2-CD2 3.57Å; F483-L587 HydrophobicContact CG-CD1 3.93Å; F483-L587 HydrophobicContact CG-CD2 4.39Å; F483-L587 HydrophobicContact CZ-CD1 4.5Å; F483-L587 HydrophobicContact CZ-CD2 4.05Å
484T93.1Very high88.9Confident43 Ų4341.5 Ų41.526%0.26420%0.203SC..EExtended strand (participates in β ladder)trans-107.9129.8173.5-55.30000108.9K481 E486 M494 S495 V496K481-T484 WeakPolarHBondContact CE-OG1 3.33Å; K481-T484 PolarHBondContact NZ-OG1 3.4Å; T484-E486 PolarHBondContact O-N 2.83Å; T484-M494 HydrophobicContact CG2-CG 4.01Å; T484-M494 HydrophobicContact CG2-SD 4.31Å; T484-S495 CarbonylContact C-O 3.56Å; T484-S495 WeakPolarHBondContact CA-O 3.43Å; T484-S495 WeakPolarHBondContact CG2-O 3.34Å; T484-V496 HydrophobicContact CG2-CG1 3.95Å
485L92.3Very high89Confident1 Ų138.7 Ų38.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-82.496.7158.9-55-171.5000106.7F483 R491 S495 M521 M585 L587 F593 Y596F483-L485 HydrophobicContact CD2-CD2 4.02Å; F483-L485 HydrophobicContact CE2-CD2 3.98Å; L485-R491 PolarHBondContact O-NH2 3.08Å; L485-S495 WeakPolarHBondContact CB-OG 3.44Å; L485-S495 WeakPolarHBondContact CD1-OG 3.47Å; L485-S495 PolarHBondContact N-O 2.87Å; L485-S495 PolarHBondContact O-N 3.47Å; L485-S495 VanDerWaalsContact O-N 3.09Å; L485-M521 HydrophobicContact CD1-SD 4.17Å; L485-M585 HydrophobicContact CD1-CE 4.16Å; L485-L587 HydrophobicContact CD2-CD2 3.82Å; L485-F593 HydrophobicContact CB-CB 4.41Å; L485-F593 HydrophobicContact CB-CD2 3.82Å; L485-F593 HydrophobicContact CB-CE2 4.23Å; L485-F593 HydrophobicContact CB-CG 4.06Å; L485-F593 HydrophobicContact CD1-CB 4.15Å; L485-F593 HydrophobicContact CD1-CD1 4.4Å; L485-F593 HydrophobicContact CD1-CG 4.21Å; L485-F593 HydrophobicContact CD2-CD1 3.92Å; L485-F593 HydrophobicContact CD2-CD2 4.35Å; L485-F593 HydrophobicContact CD2-CE1 3.9Å; L485-F593 HydrophobicContact CD2-CE2 4.33Å; L485-F593 HydrophobicContact CD2-CG 4.16Å; L485-F593 HydrophobicContact CD2-CZ 4.11Å; L485-F593 HydrophobicContact CG-CG 4.38Å; L485-Y596 HydrophobicContact CD1-CD2 4.11Å
486E87.5Confident89.2Confident76 Ų7638.6 Ų38.636%0.35519%0.19SC..EExtended strand (participates in β ladder)trans-55.1154.5-175.164.3-178.8142.300111.8T171 T484 S488 R491 F593T171-E486 WeakPolarHBondContact CB-OE1 3.47Å; T171-E486 HydrophobicContact CG2-CG 3.88Å; T171-E486 PolarHBondContact OG1-OE1 2.93Å; T484-E486 PolarHBondContact O-N 2.83Å; E486-S488 PolarHBondContact O-N 2.94Å; E486-S488 VanDerWaalsContact O-N 3.16Å; E486-R491 PolarHBondContact O-NH1 3.12Å; E486-R491 PolarHBondContact O-NH2 3.4Å; E486-F593 HydrophobicContact CG-CE2 4.16Å
487F88.3Confident89.3Confident45 Ų4535.5 Ų35.520%0.19718%0.175CC..EExtended strand (participates in β ladder)trans-57.7124.1178.4-179.8-83.6000110.5T172 I188 R489 K492 S493 M494T172-F487 WeakPolarHBondContact CG2-O 3.4Å; I188-F487 HydrophobicContact CD1-CD1 3.71Å; I188-F487 HydrophobicContact CD1-CE1 3.21Å; I188-F487 HydrophobicContact CD1-CZ 4.09Å; F487-R489 HydrophobicContact CE1-CG 4.44Å; F487-K492 HydrophobicContact CE2-CB 4.44Å; F487-K492 HydrophobicContact CZ-CB 4.28Å; F487-S493 WeakPolarHBondContact CA-O 3.46Å; F487-M494 HydrophobicContact CB-CB 4.24Å; F487-M494 HydrophobicContact CB-CE 4.39Å
488S79.2Confident89.3Confident2 Ų233.5 Ų33.51%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-118.4152167.979.60000110.7E486 D490 R491 K492E486-S488 PolarHBondContact O-N 2.94Å; E486-S488 VanDerWaalsContact O-N 3.16Å; S488-D490 WeakPolarHBondContact CB-OD1 3.38Å; S488-D490 PolarHBondContact OG-OD1 2.9Å; S488-R491 WeakPolarHBondContact OG-CG 3.49Å; S488-R491 PolarHBondContact OG-NH1 3.07Å; S488-K492 WeakPolarHBondContact O-CA 3.4Å; S488-K492 PolarHBondContact O-N 2.97Å
489R68.5Low89.3Confident65 Ų6537.1 Ų37.125%0.24518%0.175CC..THydrogen-bonded Turntrans-74.4-36.2-169.3-67.9173.5-80.3-176.5-4.4113.5T172 I188 K189 F190 F487 R491 K492T172-R489 HydrophobicContact CG2-CG 4.39Å; I188-R489 HydrophobicContact CB-CG 4.46Å; I188-R489 HydrophobicContact CD1-CG 4.24Å; I188-R489 VanDerWaalsContact CG2-CD 3.45Å; I188-R489 HydrophobicContact CG2-CG 3.68Å; K189-R489 PolarHBondContact O-NH1 3.41Å; F190-R489 VanDerWaalsContact CA-NH1 3.29Å; F190-R489 HydrophobicContact CE1-CB 4.43Å; F190-R489 HydrophobicContact CE1-CG 4.4Å; F190-R489 HydrophobicContact CZ-CG 4.26Å; F487-R489 HydrophobicContact CE1-CG 4.44Å; R489-R491 VanDerWaalsContact C-N 3.26Å; R489-R491 PolarHBondContact O-N 3.42Å; R489-K492 VanDerWaalsContact O-CG 3.27Å; R489-K492 WeakPolarHBondContact O-CG 3.46Å; R489-K492 PolarHBondContact O-N 3.22Å
490D74.6Confident89.1Confident105 Ų10537.9 Ų37.956%0.56118%0.181SC*.THydrogen-bonded Turntrans-58-39.4178.854.6-58.8000111.5S488S488-D490 WeakPolarHBondContact CB-OD1 3.38Å; S488-D490 PolarHBondContact OG-OD1 2.9Å
491R85.1Confident88.9Confident8 Ų837.9 Ų37.93%0.0318%0.177CC..THydrogen-bonded Turntrans-101.9-13.2-179.972.8-170.2-153.2-842.5115.1L485 E486 S488 R489 S493 R533 V594 E597L485-R491 PolarHBondContact O-NH2 3.08Å; E486-R491 PolarHBondContact O-NH1 3.12Å; E486-R491 PolarHBondContact O-NH2 3.4Å; S488-R491 WeakPolarHBondContact OG-CG 3.49Å; S488-R491 PolarHBondContact OG-NH1 3.07Å; R489-R491 VanDerWaalsContact C-N 3.26Å; R489-R491 PolarHBondContact O-N 3.42Å; R491-S493 WeakPolarHBondContact CG-OG 3.23Å; R491-S493 PolarHBondContact NE-O 3.36Å; R491-S493 PolarHBondContact NH2-O 3.09Å; R491-S493 PolarHBondContact O-N 3.07Å; R491-S493 VanDerWaalsContact O-N 3.16Å; R491-S493 PolarHBondContact O-OG 3.44Å; R491-R533 PolarHBondContact O-NH2 2.94Å; R491-R533 VanDerWaalsContact O-NH2 3.09Å; R491-V594 HydrophobicContact CB-CB 4.15Å; R491-V594 HydrophobicContact CB-CG2 4.02Å; R491-E597 WeakPolarHBondContact CD-OE2 3.19Å; R491-E597 IonicContact CZ-OE1 3.68Å; R491-E597 IonicContact NE-OE1 3.66Å; R491-E597 PolarHBondContact NE-OE1 2.99Å; R491-E597 IonicContact NE-OE2 2.73Å; R491-E597 PolarHBondContact NE-OE2 2.88Å; R491-E597 IonicContact NH2-OE1 2.75Å; R491-E597 PolarHBondContact NH2-OE1 2.78Å
492K87.8Confident88.4Confident95 Ų9540.2 Ų40.241%0.41320%0.2SC..THydrogen-bonded Turntrans48.537.3-177.4-56.6-175.5-172.1171.70114F487 S488 R489 G525 A526 E528F487-K492 HydrophobicContact CE2-CB 4.44Å; F487-K492 HydrophobicContact CZ-CB 4.28Å; S488-K492 WeakPolarHBondContact O-CA 3.4Å; S488-K492 PolarHBondContact O-N 2.97Å; R489-K492 VanDerWaalsContact O-CG 3.27Å; R489-K492 WeakPolarHBondContact O-CG 3.46Å; R489-K492 PolarHBondContact O-N 3.22Å; K492-G525 VanDerWaalsContact O-CA 3.27Å; K492-G525 WeakPolarHBondContact O-CA 3.47Å; K492-A526 HydrophobicContact CB-CB 3.76Å; K492-A526 HydrophobicContact CD-CB 4.01Å; K492-A526 PolarHBondContact O-N 2.86Å; K492-E528 IonicContact NZ-OE1 3.82Å; K492-E528 PolarHBondContact NZ-OE1 3.13Å
493S92.4Very high87.9Confident0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-143.5160.1178.951.50000111.1F487 R491 K524 R533 E597F487-S493 WeakPolarHBondContact CA-O 3.46Å; R491-S493 WeakPolarHBondContact CG-OG 3.23Å; R491-S493 PolarHBondContact NE-O 3.36Å; R491-S493 PolarHBondContact NH2-O 3.09Å; R491-S493 PolarHBondContact O-N 3.07Å; R491-S493 VanDerWaalsContact O-N 3.16Å; R491-S493 PolarHBondContact O-OG 3.44Å; S493-K524 CarbonylContact C-O 3.57Å; S493-K524 VanDerWaalsContact CA-O 3.26Å; S493-K524 WeakPolarHBondContact CA-O 3.49Å; S493-K524 WeakPolarHBondContact CB-O 3.17Å; S493-R533 PolarHBondContact OG-NH1 3.33Å; S493-R533 PolarHBondContact OG-NH2 3.33Å; S493-E597 PolarHBondContact OG-OE2 2.82Å
494M94.1Very high87.3Confident7 Ų742.5 Ų42.53%0.03422%0.224CC..EExtended strand (participates in β ladder)trans-124148.3170.7171.9-169.2-8200107.3D422 T484 F487 V523 K524D422-M494 WeakPolarHBondContact OD2-CE 3.33Å; T484-M494 HydrophobicContact CG2-CG 4.01Å; T484-M494 HydrophobicContact CG2-SD 4.31Å; F487-M494 HydrophobicContact CB-CB 4.24Å; F487-M494 HydrophobicContact CB-CE 4.39Å; M494-V523 WeakPolarHBondContact O-CA 3.32Å; M494-K524 HydrophobicContact CB-CG 4.39Å; M494-K524 PolarHBondContact N-O 3.34Å; M494-K524 PolarHBondContact O-N 3.45Å; M494-K524 VanDerWaalsContact SD-CE 3.53Å
495S96.4Very high86.4Confident0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-141.2162.4170.877.70000112.9T484 L485 M521 F522 E597T484-S495 CarbonylContact C-O 3.56Å; T484-S495 WeakPolarHBondContact CA-O 3.43Å; T484-S495 WeakPolarHBondContact CG2-O 3.34Å; L485-S495 WeakPolarHBondContact CB-OG 3.44Å; L485-S495 WeakPolarHBondContact CD1-OG 3.47Å; L485-S495 PolarHBondContact N-O 2.87Å; L485-S495 PolarHBondContact O-N 3.47Å; L485-S495 VanDerWaalsContact O-N 3.09Å; S495-M521 PolarHBondContact OG-SD 3Å; S495-F522 CarbonylContact C-O 3.55Å; S495-F522 WeakPolarHBondContact CA-O 3.37Å; S495-F522 WeakPolarHBondContact CB-O 3.24Å; S495-E597 WeakPolarHBondContact CB-OE1 3.28Å; S495-E597 PolarHBondContact OG-OE1 2.98Å
496V96.5Very high85.4Confident0 Ų047.5 Ų47.50%026%0.263CS..EExtended strand (participates in β ladder)trans-130.7134176.8-66.70000110M419 C420 K481 T484 L498 M521 F522M419-V496 HydrophobicContact CB-CG2 4.35Å; C420-V496 HydrophobicContact CB-CG1 4.45Å; C420-V496 HydrophobicContact CB-CG2 3.81Å; K481-V496 HydrophobicContact CD-CG1 4.3Å; K481-V496 HydrophobicContact CG-CB 4.49Å; T484-V496 HydrophobicContact CG2-CG1 3.95Å; V496-L498 HydrophobicContact CB-CD2 4.13Å; V496-L498 HydrophobicContact CB-CG 4.46Å; V496-L498 HydrophobicContact CG2-CD1 3.98Å; V496-L498 HydrophobicContact CG2-CD2 3.88Å; V496-L498 HydrophobicContact CG2-CG 3.93Å; V496-M521 CarbonylContact O-C 3.57Å; V496-M521 VanDerWaalsContact O-CA 3.22Å; V496-M521 WeakPolarHBondContact O-CA 3.31Å; V496-M521 WeakPolarHBondContact O-CG 3.23Å; V496-F522 HydrophobicContact CG2-CB 3.9Å; V496-F522 PolarHBondContact N-O 2.9Å; V496-F522 PolarHBondContact O-N 3.01Å
497Y95.5Very high84.5Confident6 Ų649.9 Ų49.92%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-91123.9175-168.8-77.3000109.5E482 F483 P519 M521 P579 V580 M585E482-Y497 HydrophobicContact CB-CD1 4.13Å; E482-Y497 HydrophobicContact CG-CD1 4.12Å; E482-Y497 PolarHBondContact N-O 3.15Å; F483-Y497 HydrophobicContact CE1-CD1 4.04Å; F483-Y497 HydrophobicContact CE1-CD2 4.39Å; F483-Y497 AromaticContact CE1-CG 3.83Å; F483-Y497 HydrophobicContact CE1-CG 3.83Å; F483-Y497 HydrophobicContact CE2-CD2 4.28Å; F483-Y497 HydrophobicContact CE2-CG 4.03Å; F483-Y497 HydrophobicContact CZ-CD1 4.13Å; F483-Y497 AromaticContact CZ-CD2 3.68Å; F483-Y497 HydrophobicContact CZ-CD2 3.68Å; F483-Y497 HydrophobicContact CZ-CE2 4.47Å; F483-Y497 AromaticContact CZ-CG 3.46Å; F483-Y497 HydrophobicContact CZ-CG 3.46Å; F483-Y497 VanDerWaalsContact CZ-CG 3.46Å; F483-Y497 PolarHBondContact O-N 3.48Å; Y497-P519 HydrophobicContact CE1-CB 3.56Å; Y497-P519 HydrophobicContact CE1-CG 4.49Å; Y497-P519 HydrophobicContact CE2-CB 4.27Å; Y497-P519 VanDerWaalsContact CZ-CB 3.41Å; Y497-P519 WeakPolarHBondContact OH-CB 3.49Å; Y497-P519 WeakPolarHBondContact OH-CG 3.27Å; Y497-M521 HydrophobicContact CD2-CE 4.12Å; Y497-P579 HydrophobicContact CD2-CB 4.24Å; Y497-P579 HydrophobicContact CD2-CG 4.3Å; Y497-P579 HydrophobicContact CE2-CB 3.85Å; Y497-P579 HydrophobicContact CE2-CG 3.72Å; Y497-V580 WeakPolarHBondContact CE2-O 3.44Å; Y497-M585 HydrophobicContact CD2-SD 4.08Å; Y497-M585 HydrophobicContact CE2-SD 4.19Å
498L93.5Very high83.5Confident0 Ų048.7 Ų48.70%027%0.269CS..EExtended strand (participates in β ladder)trans-127.7145.2-169.4-53.9176.6000111.4M419 W479 N480 K481 V496 P519 R520 F522M419-L498 HydrophobicContact CB-CD1 3.78Å; M419-L498 HydrophobicContact CB-CD2 4.36Å; M419-L498 HydrophobicContact CE-CD2 3.64Å; M419-L498 HydrophobicContact CG-CD1 4.07Å; W479-L498 HydrophobicContact CD2-CB 4.48Å; W479-L498 HydrophobicContact CD2-CD1 4.27Å; W479-L498 HydrophobicContact CE3-CB 3.71Å; W479-L498 HydrophobicContact CE3-CD1 4.18Å; W479-L498 HydrophobicContact CG-CD1 4.49Å; W479-L498 HydrophobicContact CZ3-CB 4.19Å; N480-L498 WeakPolarHBondContact O-CA 3.47Å; K481-L498 HydrophobicContact CB-CD2 3.8Å; K481-L498 HydrophobicContact CG-CD2 4.01Å; V496-L498 HydrophobicContact CB-CD2 4.13Å; V496-L498 HydrophobicContact CB-CG 4.46Å; V496-L498 HydrophobicContact CG2-CD1 3.98Å; V496-L498 HydrophobicContact CG2-CD2 3.88Å; V496-L498 HydrophobicContact CG2-CG 3.93Å; L498-P519 CarbonylContact O-C 3.55Å; L498-P519 VanDerWaalsContact O-CA 3.28Å; L498-P519 WeakPolarHBondContact O-CA 3.44Å; L498-R520 PolarHBondContact N-O 3.49Å; L498-R520 PolarHBondContact O-N 3.14Å; L498-F522 HydrophobicContact CD1-CB 4.38Å; L498-F522 HydrophobicContact CD1-CD1 4.47Å; L498-F522 HydrophobicContact CD1-CD2 3.14Å; L498-F522 HydrophobicContact CD1-CE2 3.29Å; L498-F522 HydrophobicContact CD1-CG 3.77Å; L498-F522 HydrophobicContact CD1-CZ 4.06Å
499Q89.9Confident82.7Confident79 Ų7950.2 Ų50.237%0.36928%0.279SS..EExtended strand (participates in β ladder)trans-119.1137.3162.6-87.2178.4-24.100110.1N480 K501 P519N480-Q499 PolarHBondContact N-O 3.3Å; N480-Q499 PolarHBondContact O-N 3.34Å; Q499-K501 PolarHBondContact O-N 3.12Å; Q499-P519 HydrophobicContact CG-CB 4.04Å
500V87.2Confident82.5Confident26 Ų2651.1 Ų51.116%0.15829%0.288CS..EExtended strand (participates in β ladder)trans-64.8131.5170.9161.50000109.1W479 A505 V508W479-V500 HydrophobicContact CD2-CG2 4.38Å; W479-V500 HydrophobicContact CE3-CG2 3.7Å; W479-V500 HydrophobicContact CH2-CG2 3.52Å; W479-V500 HydrophobicContact CZ2-CG2 4.19Å; W479-V500 HydrophobicContact CZ3-CB 4.37Å; W479-V500 HydrophobicContact CZ3-CG2 3.25Å; V500-A505 HydrophobicContact CG1-CB 4.1Å; V500-V508 HydrophobicContact CG1-CG2 4.38Å; V500-V508 HydrophobicContact CG2-CB 4.07Å; V500-V508 HydrophobicContact CG2-CG1 3.95Å; V500-V508 HydrophobicContact CG2-CG2 3.9Å
501K87.6Confident81.9Confident71 Ų7146.5 Ų46.531%0.30926%0.264SS..  trans-70.7136171.2-67.2-172.4-164.2147.20109.4Q476 A477 M478 W479 N480 Q499 A503 F504 A505Q476-K501 PolarHBondContact O-NZ 3.43Å; A477-K501 VanDerWaalsContact O-CD 3.31Å; A477-K501 WeakPolarHBondContact O-CD 3.21Å; A477-K501 PolarHBondContact O-NZ 3.35Å; M478-K501 WeakPolarHBondContact O-CB 3.46Å; M478-K501 PolarHBondContact O-N 3.25Å; W479-K501 WeakPolarHBondContact O-CE 3.47Å; W479-K501 PolarHBondContact O-NZ 3.22Å; N480-K501 HydrophobicContact CB-CG 4.44Å; Q499-K501 PolarHBondContact O-N 3.12Å; K501-A503 PolarHBondContact O-N 3.12Å; K501-F504 HydrophobicContact CB-CD2 4.16Å; K501-F504 PolarHBondContact O-N 3.27Å; K501-A505 PolarHBondContact O-N 2.89Å
502P81.7Confident80.5Confident120 Ų12047 Ų4778%0.77927%0.27SS*.G310 helixtrans-53-37.5-174-27.733.2000114.2F504 A505P502-F504 PolarHBondContact O-N 2.88Å; P502-F504 VanDerWaalsContact O-N 3.13Å; P502-A505 WeakPolarHBondContact O-CB 3.48Å; P502-A505 PolarHBondContact O-N 3.28Å
503A82.2Confident78.8Confident83 Ų8346.4 Ų46.469%0.68629%0.29SS*.G310 helixtrans-62.5-18.6179.200000114.4K501K501-A503 PolarHBondContact O-N 3.12Å
504F81.1Confident76.5Confident60 Ų6049.5 Ų49.526%0.26331%0.312SS..G310 helixtrans-117.17.2-176.3-61.2-80.1000113M478 K501 P502 S506 K507 V508M478-F504 HydrophobicContact CB-CB 4.02Å; M478-F504 HydrophobicContact CB-CD2 4.48Å; M478-F504 HydrophobicContact CB-CG 4.12Å; M478-F504 HydrophobicContact CG-CB 4.07Å; M478-F504 HydrophobicContact CG-CD1 3.83Å; M478-F504 HydrophobicContact CG-CD2 4.46Å; M478-F504 HydrophobicContact CG-CE1 4.38Å; M478-F504 HydrophobicContact CG-CG 3.87Å; K501-F504 HydrophobicContact CB-CD2 4.16Å; K501-F504 PolarHBondContact O-N 3.27Å; P502-F504 PolarHBondContact O-N 2.88Å; P502-F504 VanDerWaalsContact O-N 3.13Å; F504-S506 PolarHBondContact O-N 3.44Å; F504-S506 VanDerWaalsContact O-N 3.13Å; F504-K507 HydrophobicContact CD1-CD 4.3Å; F504-K507 PolarHBondContact O-N 3.48Å; F504-V508 PolarHBondContact O-N 2.98Å
505A73.2Confident74.3Confident34 Ų3452.8 Ų52.828%0.28135%0.348SS..THydrogen-bonded Turntrans-54.4-33.9-178.900000114V500 K501 P502 T517V500-A505 HydrophobicContact CG1-CB 4.1Å; K501-A505 PolarHBondContact O-N 2.89Å; P502-A505 WeakPolarHBondContact O-CB 3.48Å; P502-A505 PolarHBondContact O-N 3.28Å; A505-T517 HydrophobicContact CB-CG2 4.13Å
506S71Confident72.2Confident115 Ų11559.8 Ų59.880%0.80438%0.38SS*.THydrogen-bonded Turntrans-77.9-17.1177.157.40000114.6F504F504-S506 PolarHBondContact O-N 3.44Å; F504-S506 VanDerWaalsContact O-N 3.13Å
507K68.2Low70.6Confident126 Ų12664.3 Ų64.355%0.54841%0.408SS..THydrogen-bonded Turntrans-96.1-14.9-178.1-67.7-166.3-179.1-1790113.5F504F504-K507 HydrophobicContact CD1-CD 4.3Å; F504-K507 PolarHBondContact O-N 3.48Å
508V67.7Low69.7Low20 Ų2065.3 Ų65.312%0.12142%0.42CS..SBendtrans-89.8120.1176.81790000108.3W479 V500 F504 N510W479-V508 HydrophobicContact CH2-CG1 3.6Å; W479-V508 HydrophobicContact CZ2-CB 4.43Å; W479-V508 HydrophobicContact CZ2-CG1 3.45Å; W479-V508 VanDerWaalsContact CZ2-CG1 3.45Å; W479-V508 HydrophobicContact CZ2-CG2 4.06Å; V500-V508 HydrophobicContact CG1-CG2 4.38Å; V500-V508 HydrophobicContact CG2-CB 4.07Å; V500-V508 HydrophobicContact CG2-CG1 3.95Å; V500-V508 HydrophobicContact CG2-CG2 3.9Å; F504-V508 PolarHBondContact O-N 2.98Å; V508-N510 PolarHBondContact O-N 3.25Å
509P63.1Low69.4Low35 Ų3566.9 Ų66.923%0.22743%0.43CS..  trans-58.5130.5-177.9-3.15.3000110.6V411 T511V411-P509 HydrophobicContact CG1-CG 4.42Å; P509-T511 VanDerWaalsContact C-N 3.29Å; P509-T511 HydrophobicContact CB-CG2 4.05Å; P509-T511 PolarHBondContact O-N 3.23Å
510N63.9Low69.5Low83 Ų8363.8 Ų63.844%0.44442%0.415SS..  trans-78.480.8-179.5-167.43.1000110.8V508 S514 G515V508-N510 PolarHBondContact O-N 3.25Å; N510-S514 PolarHBondContact ND2-O 3.45Å; N510-S514 PolarHBondContact OD1-O 2.81Å; N510-G515 WeakPolarHBondContact ND2-CA 3.37Å
511T62.4Low69.8Low8 Ų862.6 Ų62.65%0.04941%0.408CS..THydrogen-bonded Turntrans-87-0.2-175.161.50000114.3E412 P509 R520 R538E412-T511 PolarHBondContact OE1-OG1 2.95Å; P509-T511 VanDerWaalsContact C-N 3.29Å; P509-T511 HydrophobicContact CB-CG2 4.05Å; P509-T511 PolarHBondContact O-N 3.23Å; T511-R520 PolarHBondContact OG1-NH1 3.45Å; T511-R520 PolarHBondContact OG1-NH2 3.2Å; T511-R538 PolarHBondContact O-NH1 2.91Å; T511-R538 PolarHBondContact OG1-NH2 3.5Å
512A55Low70.3Confident19 Ų1959.4 Ų59.416%0.15739%0.394CS..THydrogen-bonded Turntrans-83.9-11.8-17600000113.8S514A512-S514 PolarHBondContact O-N 3.44Å
513G51.7Low71Confident82 Ų8253.7 Ų53.785%0.84536%0.357SS*.SBendtrans72.9-26.4-177.100000114.5
514S44.4Very low71.8Confident66 Ų6650.3 Ų50.346%0.46233%0.327SS..SBendtrans-87.9132.9164.651.70000109.4N510 A512 E516N510-S514 PolarHBondContact ND2-O 3.45Å; N510-S514 PolarHBondContact OD1-O 2.81Å; A512-S514 PolarHBondContact O-N 3.44Å; S514-E516 PolarHBondContact O-N 2.69Å
515G49Very low72.4Confident75 Ų7547.6 Ų47.677%0.77332%0.316SS*.SBendtrans-59.612.4-178.300000117.3N510N510-G515 WeakPolarHBondContact ND2-CA 3.37Å
516E51.3Low73.2Confident147 Ų14747 Ų4769%0.68731%0.311SS*.  trans-100.4127.9-175.1-70.9-175.8163.200112.2S514 G518S514-E516 PolarHBondContact O-N 2.69Å; E516-G518 PolarHBondContact O-N 2.92Å
517T63.1Low74.1Confident96 Ų9642.4 Ų42.459%0.58928%0.279SS*.  trans-74.963.5168.951.10000110.4A505A505-T517 HydrophobicContact CB-CG2 4.13Å
518G76.3Confident75Confident26 Ų2642 Ų4227%0.26828%0.279SS..  trans-73.5171.3177.300000113.2E516E516-G518 PolarHBondContact O-N 2.92Å
519P88Confident75.8Confident34 Ų3442 Ų4222%0.22128%0.282CS..  trans-60.2154.4169.927.9-34.1000111.1Y497 L498 Q499 P579Y497-P519 HydrophobicContact CE1-CB 3.56Å; Y497-P519 HydrophobicContact CE1-CG 4.49Å; Y497-P519 HydrophobicContact CE2-CB 4.27Å; Y497-P519 VanDerWaalsContact CZ-CB 3.41Å; Y497-P519 WeakPolarHBondContact OH-CB 3.49Å; Y497-P519 WeakPolarHBondContact OH-CG 3.27Å; L498-P519 CarbonylContact O-C 3.55Å; L498-P519 VanDerWaalsContact O-CA 3.28Å; L498-P519 WeakPolarHBondContact O-CA 3.44Å; Q499-P519 HydrophobicContact CG-CB 4.04Å; P519-P579 HydrophobicContact CB-CG 4.02Å; P519-P579 HydrophobicContact CG-CG 4.08Å; P519-P579 WeakPolarHBondContact O-CD 3.38Å
520R91.1Very high77.3Confident14 Ų1440.3 Ų40.35%0.05327%0.272CS..EExtended strand (participates in β ladder)trans-129154.8178.4-65-80.3-178.7151.910.8109.2W479 L498 T511 F522 D577W479-R520 HydrophobicContact CH2-CB 4.45Å; W479-R520 HydrophobicContact CH2-CG 4.03Å; W479-R520 HydrophobicContact CZ3-CB 4.14Å; W479-R520 HydrophobicContact CZ3-CG 3.97Å; L498-R520 PolarHBondContact N-O 3.49Å; L498-R520 PolarHBondContact O-N 3.14Å; T511-R520 PolarHBondContact OG1-NH1 3.45Å; T511-R520 PolarHBondContact OG1-NH2 3.2Å; R520-F522 HydrophobicContact CB-CE1 4.27Å; R520-D577 IonicContact CZ-OD1 3.97Å; R520-D577 IonicContact NH1-OD1 3.65Å; R520-D577 PolarHBondContact NH1-OD1 3.5Å
521M94.6Very high78.7Confident1 Ų136.5 Ų36.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-123.6115.2168-161-173.7-59.100110.1L485 S495 V496 Y497 T575 C576 P579 M585 E597L485-M521 HydrophobicContact CD1-SD 4.17Å; S495-M521 PolarHBondContact OG-SD 3Å; V496-M521 CarbonylContact O-C 3.57Å; V496-M521 VanDerWaalsContact O-CA 3.22Å; V496-M521 WeakPolarHBondContact O-CA 3.31Å; V496-M521 WeakPolarHBondContact O-CG 3.23Å; Y497-M521 HydrophobicContact CD2-CE 4.12Å; M521-T575 CarbonylContact O-C 3.46Å; M521-T575 VanDerWaalsContact O-CA 3.27Å; M521-T575 WeakPolarHBondContact O-CA 3.35Å; M521-T575 PolarHBondContact O-OG1 3.4Å; M521-C576 HydrophobicContact CB-CB 3.77Å; M521-C576 PolarHBondContact N-O 3.42Å; M521-C576 VanDerWaalsContact N-O 3.12Å; M521-C576 PolarHBondContact O-N 3.46Å; M521-P579 HydrophobicContact CB-CB 4.12Å; M521-P579 HydrophobicContact CE-CB 3.79Å; M521-M585 HydrophobicContact CE-CE 3.68Å; M521-E597 HydrophobicContact SD-CG 4.2Å
522F97Very high80Confident4 Ų441.6 Ų41.62%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-88.7137.2174.4-66.4-19.7000109.9N415 I416 M419 C420 W479 S495 V496 L498 R520 T575N415-F522 HydrophobicContact CB-CE2 3.87Å; N415-F522 HydrophobicContact CB-CZ 4.12Å; I416-F522 HydrophobicContact CB-CB 4.39Å; I416-F522 HydrophobicContact CB-CG 4.44Å; I416-F522 HydrophobicContact CG1-CB 4Å; I416-F522 HydrophobicContact CG1-CD1 3.89Å; I416-F522 HydrophobicContact CG1-CD2 4.14Å; I416-F522 HydrophobicContact CG1-CE1 4.41Å; I416-F522 HydrophobicContact CG1-CG 3.75Å; I416-F522 HydrophobicContact CG2-CB 4.23Å; M419-F522 HydrophobicContact CB-CD2 3.93Å; M419-F522 HydrophobicContact CB-CE2 4.31Å; M419-F522 HydrophobicContact CG-CD2 4.43Å; M419-F522 HydrophobicContact CG-CE2 4.32Å; C420-F522 HydrophobicContact CB-CB 4.17Å; W479-F522 AromaticContact CH2-CZ 3.79Å; W479-F522 HydrophobicContact CH2-CZ 3.79Å; W479-F522 HydrophobicContact CZ2-CE2 4.14Å; W479-F522 AromaticContact CZ2-CZ 3.6Å; W479-F522 HydrophobicContact CZ2-CZ 3.6Å; W479-F522 HydrophobicContact CZ3-CZ 4.41Å; S495-F522 CarbonylContact C-O 3.55Å; S495-F522 WeakPolarHBondContact CA-O 3.37Å; S495-F522 WeakPolarHBondContact CB-O 3.24Å; V496-F522 HydrophobicContact CG2-CB 3.9Å; V496-F522 PolarHBondContact N-O 2.9Å; V496-F522 PolarHBondContact O-N 3.01Å; L498-F522 HydrophobicContact CD1-CB 4.38Å; L498-F522 HydrophobicContact CD1-CD1 4.47Å; L498-F522 HydrophobicContact CD1-CD2 3.14Å; L498-F522 HydrophobicContact CD1-CE2 3.29Å; L498-F522 HydrophobicContact CD1-CG 3.77Å; L498-F522 HydrophobicContact CD1-CZ 4.06Å; R520-F522 HydrophobicContact CB-CE1 4.27Å; F522-T575 WeakPolarHBondContact CD1-OG1 3.14Å
523V97.6Very high82Confident0 Ų041.4 Ų41.40%027%0.273CS..EExtended strand (participates in β ladder)trans-128.6134.6-172.7-172.30000109.3M494 V530 A574 L600M494-V523 WeakPolarHBondContact O-CA 3.32Å; V523-V530 HydrophobicContact CG1-CG2 4.49Å; V523-A574 HydrophobicContact CB-CB 4.39Å; V523-A574 PolarHBondContact N-O 3.29Å; V523-A574 PolarHBondContact O-N 3.12Å; V523-A574 VanDerWaalsContact O-O 3.13Å; V523-L600 HydrophobicContact CB-CD1 4.45Å; V523-L600 HydrophobicContact CG1-CD1 4.24Å; V523-L600 HydrophobicContact CG2-CD1 4.2Å; V523-L600 HydrophobicContact CG2-CD2 3.88Å
524K97.3Very high84.1Confident11 Ų1138 Ų385%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-129.4146.416774-177.4179.5-168.50110.4C420 E442 L445 S493 M494 A572 L573C420-K524 WeakPolarHBondContact O-CD 3.4Å; C420-K524 WeakPolarHBondContact O-CE 3.37Å; C420-K524 PolarHBondContact O-NZ 2.78Å; E442-K524 WeakPolarHBondContact OE1-CE 3.36Å; E442-K524 IonicContact OE1-NZ 3.2Å; E442-K524 PolarHBondContact OE1-NZ 3.39Å; E442-K524 IonicContact OE2-NZ 3.67Å; L445-K524 HydrophobicContact CD1-CD 3.96Å; S493-K524 CarbonylContact C-O 3.57Å; S493-K524 VanDerWaalsContact CA-O 3.26Å; S493-K524 WeakPolarHBondContact CA-O 3.49Å; S493-K524 WeakPolarHBondContact CB-O 3.17Å; M494-K524 HydrophobicContact CB-CG 4.39Å; M494-K524 PolarHBondContact N-O 3.34Å; M494-K524 PolarHBondContact O-N 3.45Å; M494-K524 VanDerWaalsContact SD-CE 3.53Å; K524-A572 WeakPolarHBondContact CA-O 3.27Å; K524-L573 HydrophobicContact CB-CD2 3.79Å
525G93.8Very high86.5Confident3 Ų337.6 Ų37.63%0.03123%0.231CC..EExtended strand (participates in β ladder)trans177.7-171.7177.400000115K492 L571 A572K492-G525 VanDerWaalsContact O-CA 3.27Å; K492-G525 WeakPolarHBondContact O-CA 3.47Å; G525-L571 WeakPolarHBondContact O-CD2 3.31Å; G525-A572 PolarHBondContact N-O 3.24Å; G525-A572 VanDerWaalsContact N-O 3.12Å; G525-A572 PolarHBondContact O-N 3.02Å
526A89.8Confident88.7Confident23 Ų2336.6 Ų36.619%0.1921%0.206CC..  trans-58.8131.817400000110K492 E528 G529 V530K492-A526 HydrophobicContact CB-CB 3.76Å; K492-A526 HydrophobicContact CD-CB 4.01Å; K492-A526 PolarHBondContact O-N 2.86Å; A526-E528 VanDerWaalsContact C-N 3.34Å; A526-E528 HydrophobicContact CB-CG 4.34Å; A526-E528 PolarHBondContact O-N 3.33Å; A526-G529 PolarHBondContact O-N 3.02Å; A526-V530 WeakPolarHBondContact O-CG2 3.38Å; A526-V530 PolarHBondContact O-N 3.41Å
527P91.7Very high90.7Very high18 Ų1829.6 Ų29.612%0.11717%0.173CC..Hα-helixtrans-53.7-46.4-175.1-29.135.2000113.9G529 V530 L531 V558 C570 A572P527-G529 PolarHBondContact O-N 3.49Å; P527-V530 PolarHBondContact O-N 3.35Å; P527-L531 HydrophobicContact CB-CD1 4.35Å; P527-L531 WeakPolarHBondContact O-CB 3.34Å; P527-L531 WeakPolarHBondContact O-CD1 3.42Å; P527-L531 WeakPolarHBondContact O-CG 3.39Å; P527-L531 PolarHBondContact O-N 3.03Å; P527-V558 HydrophobicContact CB-CG1 3.86Å; P527-V558 HydrophobicContact CB-CG2 4.11Å; P527-V558 HydrophobicContact CG-CG1 3.81Å; P527-V558 HydrophobicContact CG-CG2 4.36Å; P527-C570 WeakPolarHBondContact CD-O 3.44Å; P527-C570 HydrophobicContact CG-CB 3.9Å; P527-A572 HydrophobicContact CB-CB 4.22Å; P527-A572 HydrophobicContact CG-CB 4.38Å
528E86.1Confident92.1Very high118 Ų11825.2 Ų25.255%0.55115%0.146SC*.Hα-helixtrans-52.3-54.6177.662.1-168-174.800112.3K492 A526 V530 D532K492-E528 IonicContact NZ-OE1 3.82Å; K492-E528 PolarHBondContact NZ-OE1 3.13Å; A526-E528 VanDerWaalsContact C-N 3.34Å; A526-E528 HydrophobicContact CB-CG 4.34Å; A526-E528 PolarHBondContact O-N 3.33Å; E528-V530 PolarHBondContact O-N 2.95Å; E528-D532 PolarHBondContact O-N 2.96Å
529G84.6Confident92.7Very high19 Ų1925 Ų2520%0.19614%0.138CC..Hα-helixtrans-75.3-28.9-173.100000113.5A526 P527 R533A526-G529 PolarHBondContact O-N 3.02Å; P527-G529 PolarHBondContact O-N 3.49Å; G529-R533 PolarHBondContact O-NE 3.42Å; G529-R533 PolarHBondContact O-NH2 3.15Å; G529-R533 VanDerWaalsContact O-NH2 3.14Å
530V94.4Very high92.6Very high0 Ų024.6 Ų24.60%014%0.14CC..Hα-helixtrans-77.2-43.7175.8176.70000110.3V523 A526 P527 E528 D532 R533 C534 A572 A574 L600V523-V530 HydrophobicContact CG1-CG2 4.49Å; A526-V530 WeakPolarHBondContact O-CG2 3.38Å; A526-V530 PolarHBondContact O-N 3.41Å; P527-V530 PolarHBondContact O-N 3.35Å; E528-V530 PolarHBondContact O-N 2.95Å; V530-D532 VanDerWaalsContact C-N 3.3Å; V530-D532 PolarHBondContact O-N 3.44Å; V530-R533 PolarHBondContact O-N 3.47Å; V530-C534 PolarHBondContact O-N 3.45Å; V530-C534 PolarHBondContact O-SG 2.74Å; V530-A572 HydrophobicContact CB-CB 4.11Å; V530-A572 HydrophobicContact CG1-CB 4.22Å; V530-A574 HydrophobicContact CG1-CB 3.73Å; V530-L600 HydrophobicContact CG1-CD1 4.36Å
531L93.1Very high92.1Very high3 Ų327.5 Ų27.52%0.01616%0.157CC..Hα-helixtrans-65.4-31.2-178-71.2170.2000113.3P527 R533 C534 M546 I554 V555 F602P527-L531 HydrophobicContact CB-CD1 4.35Å; P527-L531 WeakPolarHBondContact O-CB 3.34Å; P527-L531 WeakPolarHBondContact O-CD1 3.42Å; P527-L531 WeakPolarHBondContact O-CG 3.39Å; P527-L531 PolarHBondContact O-N 3.03Å; L531-R533 PolarHBondContact O-N 2.79Å; L531-C534 PolarHBondContact O-N 3.33Å; L531-M546 HydrophobicContact CD2-CE 4.33Å; L531-I554 HydrophobicContact CD1-CB 4.39Å; L531-I554 HydrophobicContact CD1-CG2 3.68Å; L531-I554 HydrophobicContact CD2-CD1 3.82Å; L531-I554 HydrophobicContact CD2-CG2 3.92Å; L531-I554 HydrophobicContact CG-CG2 4.43Å; L531-V555 HydrophobicContact CD1-CG2 4.2Å; L531-F602 HydrophobicContact CD2-CD2 3.51Å; L531-F602 HydrophobicContact CD2-CE2 3.91Å; L531-F602 HydrophobicContact CD2-CG 4.15Å
532D90.9Very high91.7Very high114 Ų11435 Ų3561%0.6119%0.189SC*.THydrogen-bonded Turntrans-65.3-21174.1-74.3-15.8000113.4E528 V530 K551E528-D532 PolarHBondContact O-N 2.96Å; V530-D532 VanDerWaalsContact C-N 3.3Å; V530-D532 PolarHBondContact O-N 3.44Å; D532-K551 IonicContact OD1-NZ 3.01Å; D532-K551 PolarHBondContact OD1-NZ 3.42Å
533R95.3Very high91.3Very high16 Ų1638.8 Ų38.86%0.0621%0.206CC..THydrogen-bonded Turntrans-102.3-0.3178.3-66.1175.6-71167.4-4.2113.1R491 S493 G529 V530 L531 E597 N599 L600R491-R533 PolarHBondContact O-NH2 2.94Å; R491-R533 VanDerWaalsContact O-NH2 3.09Å; S493-R533 PolarHBondContact OG-NH1 3.33Å; S493-R533 PolarHBondContact OG-NH2 3.33Å; G529-R533 PolarHBondContact O-NE 3.42Å; G529-R533 PolarHBondContact O-NH2 3.15Å; G529-R533 VanDerWaalsContact O-NH2 3.14Å; V530-R533 PolarHBondContact O-N 3.47Å; L531-R533 PolarHBondContact O-N 2.79Å; R533-E597 WeakPolarHBondContact CB-O 3.48Å; R533-E597 WeakPolarHBondContact CD-O 3.47Å; R533-E597 IonicContact CZ-OE2 3.39Å; R533-E597 IonicContact NH1-OE2 2.64Å; R533-E597 PolarHBondContact NH1-OE2 3.41Å; R533-E597 IonicContact NH2-OE2 3.02Å; R533-N599 PolarHBondContact O-N 3.11Å; R533-L600 HydrophobicContact CB-CD1 3.98Å; R533-L600 HydrophobicContact CB-CG 4.36Å; R533-L600 WeakPolarHBondContact O-CB 3.28Å; R533-L600 PolarHBondContact O-N 3.12Å
534C96.3Very high90.9Very high9 Ų940.5 Ų40.56%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-86.7118174.8-69.50000110.9V530 L531 M546 L600 F602V530-C534 PolarHBondContact O-N 3.45Å; V530-C534 PolarHBondContact O-SG 2.74Å; L531-C534 PolarHBondContact O-N 3.33Å; C534-M546 HydrophobicContact CB-CE 3.79Å; C534-L600 CarbonylContact C-O 3.56Å; C534-L600 VanDerWaalsContact CA-O 3.24Å; C534-L600 WeakPolarHBondContact CA-O 3.4Å; C534-F602 HydrophobicContact CB-CB 4.29Å
535T95.3Very high90.7Very high58 Ų5844 Ų4436%0.35624%0.24SC..EExtended strand (participates in β ladder)trans-100.6-11.2171.852.50000112.4M546 N599 L600T535-M546 WeakPolarHBondContact O-CB 3.31Å; T535-M546 PolarHBondContact O-N 3.28Å; T535-N599 WeakPolarHBondContact OG1-CA 3.45Å; T535-L600 PolarHBondContact N-O 3.44Å
536F94.8Very high90.6Very high55 Ų5545.3 Ų45.324%0.24125%0.246CC..EExtended strand (participates in β ladder)trans-132.3164.3178.6-56.1-79.7000112K543 V544 L600 T601 F602F536-K543 HydrophobicContact CB-CD 3.94Å; F536-K543 HydrophobicContact CB-CG 3.62Å; F536-K543 HydrophobicContact CD1-CD 3.93Å; F536-K543 HydrophobicContact CD1-CG 3.84Å; F536-K543 HydrophobicContact CD2-CD 3.98Å; F536-K543 HydrophobicContact CE1-CD 4.46Å; F536-K543 HydrophobicContact CG-CD 3.67Å; F536-K543 HydrophobicContact CG-CG 3.75Å; F536-V544 CarbonylContact C-O 3.56Å; F536-V544 WeakPolarHBondContact CA-O 3.27Å; F536-V544 WeakPolarHBondContact CB-O 3.48Å; F536-L600 PolarHBondContact N-O 3.37Å; F536-L600 VanDerWaalsContact N-O 3.1Å; F536-T601 HydrophobicContact CB-CG2 3.99Å; F536-T601 WeakPolarHBondContact CB-OG1 3.41Å; F536-T601 WeakPolarHBondContact O-CA 3.35Å; F536-F602 PolarHBondContact O-N 2.69Å
537V93.9Very high90.7Very high0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-126.5140.7172175.40000108.8F369 I539 V544 M546 L550 F602F369-V537 HydrophobicContact CB-CG1 4.49Å; F369-V537 HydrophobicContact CD2-CG1 3.53Å; F369-V537 HydrophobicContact CE2-CG1 4Å; F369-V537 HydrophobicContact CG-CG1 4.2Å; V537-I539 HydrophobicContact CG1-CD1 4.4Å; V537-I539 HydrophobicContact CG1-CG1 4.01Å; V537-V544 HydrophobicContact CB-CG2 4.02Å; V537-V544 PolarHBondContact N-O 3.13Å; V537-V544 WeakPolarHBondContact O-CG2 3.29Å; V537-V544 PolarHBondContact O-N 3.46Å; V537-M546 HydrophobicContact CG2-CB 4.27Å; V537-M546 HydrophobicContact CG2-CE 3.28Å; V537-M546 HydrophobicContact CG2-CG 4.46Å; V537-M546 HydrophobicContact CG2-SD 3.36Å; V537-M546 WeakPolarHBondContact CG2-SD 3.48Å; V537-L550 HydrophobicContact CG2-CD1 4.47Å; V537-F602 CarbonylContact C-O 3.53Å; V537-F602 HydrophobicContact CG1-CD1 4.27Å; V537-F602 HydrophobicContact CG2-CB 4.4Å
538R92.5Very high90.7Very high4 Ų450.1 Ų50.12%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-88.6130.9172-171.473.468.1-146.9-2110.3E412 T511 G540 T575 D577 T601 F602 V603E412-R538 IonicContact OE1-CZ 3.78Å; E412-R538 IonicContact OE1-NE 2.76Å; E412-R538 PolarHBondContact OE1-NE 2.84Å; E412-R538 IonicContact OE1-NH2 3.1Å; E412-R538 PolarHBondContact OE1-NH2 3.07Å; E412-R538 WeakPolarHBondContact OE2-CD 3.1Å; E412-R538 VanDerWaalsContact OE2-CG 3.28Å; E412-R538 WeakPolarHBondContact OE2-CG 3.35Å; E412-R538 IonicContact OE2-CZ 3.84Å; E412-R538 IonicContact OE2-NE 3.69Å; E412-R538 PolarHBondContact OE2-NE 2.93Å; E412-R538 IonicContact OE2-NH2 3.51Å; T511-R538 PolarHBondContact O-NH1 2.91Å; T511-R538 PolarHBondContact OG1-NH2 3.5Å; R538-G540 VanDerWaalsContact CD-O 3.32Å; R538-G540 WeakPolarHBondContact CD-O 3.47Å; R538-G540 VanDerWaalsContact CG-O 3.25Å; R538-G540 WeakPolarHBondContact CG-O 3.5Å; R538-T575 VanDerWaalsContact NH2-CG2 3.27Å; R538-D577 IonicContact CZ-OD1 2.98Å; R538-D577 IonicContact NH1-OD1 2.75Å; R538-D577 IonicContact NH1-OD2 2.72Å; R538-D577 IonicContact NH2-OD1 3.48Å; R538-D577 PolarHBondContact NH2-OD1 3.16Å; R538-D577 IonicContact NH2-OD2 3.76Å; R538-T601 HydrophobicContact CB-CG2 4.01Å; R538-F602 WeakPolarHBondContact CB-O 3.14Å; R538-F602 PolarHBondContact N-O 2.88Å; R538-V603 HydrophobicContact CB-CG2 4.29Å
539I89.6Confident90.8Very high20 Ų2047.3 Ų47.310%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-135.4104.9174.4-54.2-171.5000108.5F369 S370 A372 V537 N541 K542 V544F369-I539 HydrophobicContact CB-CD1 4.12Å; F369-I539 HydrophobicContact CB-CG1 3.84Å; S370-I539 VanDerWaalsContact C-CG2 3.49Å; S370-I539 WeakPolarHBondContact O-CG2 3.2Å; A372-I539 HydrophobicContact CB-CD1 3.14Å; A372-I539 VanDerWaalsContact N-CD1 3.27Å; V537-I539 HydrophobicContact CG1-CD1 4.4Å; V537-I539 HydrophobicContact CG1-CG1 4.01Å; I539-N541 PolarHBondContact O-N 3.22Å; I539-K542 PolarHBondContact N-O 2.86Å; I539-K542 PolarHBondContact O-N 3.44Å; I539-V544 HydrophobicContact CD1-CG2 3.73Å; I539-V544 HydrophobicContact CG1-CG2 4.06Å
540G85.1Confident91.1Very high27 Ų2746.5 Ų46.528%0.27826%0.258SS..THydrogen-bonded Turntrans52.5-120.3-163.100000110.2R538R538-G540 VanDerWaalsContact CD-O 3.32Å; R538-G540 WeakPolarHBondContact CD-O 3.47Å; R538-G540 VanDerWaalsContact CG-O 3.25Å; R538-G540 WeakPolarHBondContact CG-O 3.5Å
541N80.8Confident91Very high75 Ų7549.6 Ų49.640%0.40127%0.271SS..THydrogen-bonded Turntrans-89.2-6.5179.3-58.5-36000114.4D408 I539D408-N541 WeakPolarHBondContact CB-OD1 3.45Å; D408-N541 PolarHBondContact OD1-OD1 3.06Å; D408-N541 PolarHBondContact OD2-ND2 2.87Å; D408-N541 PolarHBondContact OD2-OD1 2.81Å; I539-N541 PolarHBondContact O-N 3.22Å
542K85.8Confident90.9Very high158 Ų15852.3 Ų52.369%0.68729%0.294SS*.EExtended strand (participates in β ladder)trans-95.9141.7-171.2-64.9-178.3-178.8177.30111.2I539I539-K542 PolarHBondContact N-O 2.86Å; I539-K542 PolarHBondContact O-N 3.44Å
543K88.2Confident90.9Very high84 Ų8448.9 Ų48.937%0.36527%0.274SS..EExtended strand (participates in β ladder)trans-96121.8168.8-170175.885.3173.50109F536 D577 T601F536-K543 HydrophobicContact CB-CD 3.94Å; F536-K543 HydrophobicContact CB-CG 3.62Å; F536-K543 HydrophobicContact CD1-CD 3.93Å; F536-K543 HydrophobicContact CD1-CG 3.84Å; F536-K543 HydrophobicContact CD2-CD 3.98Å; F536-K543 HydrophobicContact CE1-CD 4.46Å; F536-K543 HydrophobicContact CG-CD 3.67Å; F536-K543 HydrophobicContact CG-CG 3.75Å; K543-D577 WeakPolarHBondContact CD-OD2 3.38Å; K543-T601 HydrophobicContact CG-CG2 4.17Å
544V90.8Very high90.8Very high35 Ų3548.1 Ų48.121%0.21227%0.271CS..EExtended strand (participates in β ladder)trans-119.4150.4175.1-61.30000110.6A372 F536 V537 I539A372-V544 HydrophobicContact CB-CG2 4.19Å; F536-V544 CarbonylContact C-O 3.56Å; F536-V544 WeakPolarHBondContact CA-O 3.27Å; F536-V544 WeakPolarHBondContact CB-O 3.48Å; V537-V544 HydrophobicContact CB-CG2 4.02Å; V537-V544 PolarHBondContact N-O 3.13Å; V537-V544 WeakPolarHBondContact O-CG2 3.29Å; V537-V544 PolarHBondContact O-N 3.46Å; I539-V544 HydrophobicContact CD1-CG2 3.73Å; I539-V544 HydrophobicContact CG1-CG2 4.06Å
545P92.7Very high90.6Very high86 Ų8651.3 Ų51.356%0.55829%0.291SS*.EExtended strand (participates in β ladder)trans-59.6141.6175-2334.3000112.3T547P545-T547 PolarHBondContact O-N 3.05Å
546M92Very high90.4Very high30 Ų3054.4 Ų54.415%0.14830%0.299CS..  trans-74.4106.917317971.679.100109.4L531 C534 T535 V537 L550 K551 I554 F602L531-M546 HydrophobicContact CD2-CE 4.33Å; C534-M546 HydrophobicContact CB-CE 3.79Å; T535-M546 WeakPolarHBondContact O-CB 3.31Å; T535-M546 PolarHBondContact O-N 3.28Å; V537-M546 HydrophobicContact CG2-CB 4.27Å; V537-M546 HydrophobicContact CG2-CE 3.28Å; V537-M546 HydrophobicContact CG2-CG 4.46Å; V537-M546 HydrophobicContact CG2-SD 3.36Å; V537-M546 WeakPolarHBondContact CG2-SD 3.48Å; M546-L550 HydrophobicContact SD-CB 4.24Å; M546-K551 HydrophobicContact CG-CB 4.28Å; M546-K551 HydrophobicContact SD-CB 3.87Å; M546-I554 HydrophobicContact CE-CD1 3.83Å; M546-I554 HydrophobicContact SD-CD1 4.12Å; M546-F602 HydrophobicContact CE-CB 3.86Å; M546-F602 HydrophobicContact CE-CG 4.5Å
547T91.8Very high90.2Very high32 Ų3253.1 Ų53.120%0.19629%0.294CS..  trans-90.4154.6174.364.80000110.9D374 P545 P549 L550 K551D374-T547 WeakPolarHBondContact OD1-CG2 3.45Å; D374-T547 PolarHBondContact OD1-OG1 3.36Å; P545-T547 PolarHBondContact O-N 3.05Å; T547-P549 VanDerWaalsContact C-CD 3.47Å; T547-P549 VanDerWaalsContact C-N 3.33Å; T547-L550 PolarHBondContact O-N 2.66Å; T547-L550 VanDerWaalsContact O-N 3.13Å; T547-L550 WeakPolarHBondContact OG1-CG 3.48Å; T547-K551 PolarHBondContact O-N 3.28Å
548P90.3Very high90.1Very high109 Ų10954.3 Ų54.371%0.70830%0.301SS*.Hα-helixtrans-54-39.5176.6-24.132.5000114.5K551 A552P548-K551 PolarHBondContact O-N 3.1Å; P548-A552 WeakPolarHBondContact O-CB 3.18Å; P548-A552 PolarHBondContact O-N 3.36Å
549P89.5Confident89.8Confident59 Ų5956.2 Ų56.238%0.38332%0.318SS..Hα-helixtrans-60.1-45173.1-25.235.4000113.3T547 K551 A552 E553T547-P549 VanDerWaalsContact C-CD 3.47Å; T547-P549 VanDerWaalsContact C-N 3.33Å; P549-K551 PolarHBondContact O-N 2.9Å; P549-A552 PolarHBondContact O-N 3.17Å; P549-E553 PolarHBondContact O-N 3.13Å
550L90.9Very high89.7Confident2 Ų258.7 Ų58.71%0.0134%0.337CS..Hα-helixtrans-61.4-45.3177-70.5174.4000111.4F369 P377 V537 M546 T547 A552 E553 I554F369-L550 HydrophobicContact CD1-CD2 4.4Å; F369-L550 HydrophobicContact CE1-CD2 3.82Å; F369-L550 HydrophobicContact CZ-CD2 4.05Å; P377-L550 HydrophobicContact CB-CD2 3.69Å; P377-L550 HydrophobicContact CG-CD2 3.81Å; V537-L550 HydrophobicContact CG2-CD1 4.47Å; M546-L550 HydrophobicContact SD-CB 4.24Å; T547-L550 PolarHBondContact O-N 2.66Å; T547-L550 VanDerWaalsContact O-N 3.13Å; T547-L550 WeakPolarHBondContact OG1-CG 3.48Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 3.47Å; L550-E553 PolarHBondContact O-N 3.18Å; L550-I554 WeakPolarHBondContact O-CG1 3.45Å; L550-I554 PolarHBondContact O-N 3.05Å; L550-I554 VanDerWaalsContact O-N 3.14Å
551K91.9Very high89.8Confident65 Ų6557.8 Ų57.828%0.28333%0.325SS..Hα-helixtrans-61.7-42.7178-171.4173.1179.2175.10111.8D532 M546 T547 P548 P549 E553 I554 V555D532-K551 IonicContact OD1-NZ 3.01Å; D532-K551 PolarHBondContact OD1-NZ 3.42Å; M546-K551 HydrophobicContact CG-CB 4.28Å; M546-K551 HydrophobicContact SD-CB 3.87Å; T547-K551 PolarHBondContact O-N 3.28Å; P548-K551 PolarHBondContact O-N 3.1Å; P549-K551 PolarHBondContact O-N 2.9Å; K551-E553 VanDerWaalsContact C-N 3.34Å; K551-E553 PolarHBondContact O-N 3.42Å; K551-I554 PolarHBondContact O-N 3.23Å; K551-V555 WeakPolarHBondContact O-CG2 3.22Å; K551-V555 PolarHBondContact O-N 3.33Å; K551-V555 VanDerWaalsContact O-N 3.09Å
552A90.5Very high89.8Confident60 Ų6055.5 Ų55.550%0.49632%0.319SS..Hα-helixtrans-62.4-40.4177.900000112.1P548 P549 L550 V555 K556P548-A552 WeakPolarHBondContact O-CB 3.18Å; P548-A552 PolarHBondContact O-N 3.36Å; P549-A552 PolarHBondContact O-N 3.17Å; L550-A552 VanDerWaalsContact C-N 3.35Å; L550-A552 PolarHBondContact O-N 3.47Å; A552-V555 PolarHBondContact O-N 3.48Å; A552-K556 WeakPolarHBondContact O-CB 3.5Å; A552-K556 PolarHBondContact O-N 2.97Å
553E91.6Very high89.2Confident42 Ų4253.3 Ų53.320%0.19632%0.319CS..Hα-helixtrans-66-39.4178.2-158.261.2-159.700111.6P549 L550 K551 V555 K556 H557P549-E553 PolarHBondContact O-N 3.13Å; L550-E553 PolarHBondContact O-N 3.18Å; K551-E553 VanDerWaalsContact C-N 3.34Å; K551-E553 PolarHBondContact O-N 3.42Å; E553-V555 PolarHBondContact O-N 2.76Å; E553-K556 WeakPolarHBondContact O-CB 3.19Å; E553-K556 PolarHBondContact O-N 3.12Å; E553-K556 IonicContact OE1-NZ 3.33Å; E553-K556 PolarHBondContact OE1-NZ 3.22Å; E553-K556 IonicContact OE2-NZ 2.92Å; E553-K556 PolarHBondContact OE2-NZ 2.91Å; E553-H557 PolarHBondContact O-CD2 2.87Å; E553-H557 PolarHBondContact O-N 2.78Å; E553-H557 IonicContact OE1-NE2 3.55Å; E553-H557 PolarHBondContact OE1-NE2 3.31Å
554I92.6Very high88.5Confident0 Ų050.5 Ų50.50%031%0.314CS..Hα-helixtrans-59.7-50.1173.3-59.2164.1000110.6F367 F369 L531 M546 L550 K551 K556 H557 V558 F602F367-I554 HydrophobicContact CE2-CG2 4.37Å; F367-I554 HydrophobicContact CZ-CG2 4.12Å; F369-I554 HydrophobicContact CE2-CD1 3.79Å; F369-I554 HydrophobicContact CE2-CG1 3.46Å; F369-I554 VanDerWaalsContact CE2-CG1 3.46Å; F369-I554 HydrophobicContact CZ-CD1 4.36Å; F369-I554 HydrophobicContact CZ-CG1 3.73Å; L531-I554 HydrophobicContact CD1-CB 4.39Å; L531-I554 HydrophobicContact CD1-CG2 3.68Å; L531-I554 HydrophobicContact CD2-CD1 3.82Å; L531-I554 HydrophobicContact CD2-CG2 3.92Å; L531-I554 HydrophobicContact CG-CG2 4.43Å; M546-I554 HydrophobicContact CE-CD1 3.83Å; M546-I554 HydrophobicContact SD-CD1 4.12Å; L550-I554 WeakPolarHBondContact O-CG1 3.45Å; L550-I554 PolarHBondContact O-N 3.05Å; L550-I554 VanDerWaalsContact O-N 3.14Å; K551-I554 PolarHBondContact O-N 3.23Å; I554-K556 VanDerWaalsContact C-N 3.28Å; I554-K556 PolarHBondContact O-N 2.9Å; I554-H557 PolarHBondContact O-N 2.81Å; I554-V558 HydrophobicContact CG2-CG2 4.2Å; I554-V558 VanDerWaalsContact O-CG2 3.31Å; I554-V558 WeakPolarHBondContact O-CG2 3.49Å; I554-V558 PolarHBondContact O-N 3.11Å; I554-F602 HydrophobicContact CD1-CD1 3.72Å; I554-F602 HydrophobicContact CD1-CD2 4.33Å; I554-F602 HydrophobicContact CD1-CE1 3.78Å; I554-F602 HydrophobicContact CD1-CE2 4.37Å; I554-F602 HydrophobicContact CD1-CG 4Å; I554-F602 HydrophobicContact CD1-CZ 4.1Å; I554-F602 HydrophobicContact CG1-CD1 4.46Å; I554-F602 HydrophobicContact CG1-CE1 4.03Å; I554-F602 HydrophobicContact CG1-CZ 4.19Å; I554-F602 HydrophobicContact CG2-CE1 4.46Å; I554-F602 HydrophobicContact CG2-CE2 3.95Å; I554-F602 HydrophobicContact CG2-CZ 3.79Å
555V91.8Very high87.5Confident77 Ų7756.1 Ų56.147%0.46733%0.331SS..Hα-helixtrans-60.5-40.6-178.6172.10000110.9L531 K551 A552 E553 V558 A559L531-V555 HydrophobicContact CD1-CG2 4.2Å; K551-V555 WeakPolarHBondContact O-CG2 3.22Å; K551-V555 PolarHBondContact O-N 3.33Å; K551-V555 VanDerWaalsContact O-N 3.09Å; A552-V555 PolarHBondContact O-N 3.48Å; E553-V555 PolarHBondContact O-N 2.76Å; V555-V558 PolarHBondContact O-N 3.03Å; V555-A559 WeakPolarHBondContact O-CB 3.38Å; V555-A559 PolarHBondContact O-N 2.73Å
556K91.7Very high86.6Confident122 Ų12253.2 Ų53.253%0.5331%0.311SS..Hα-helixtrans-60.4-46.9175.2175.3-172.7165.2-156.40112.1A552 E553 I554 A559 S560A552-K556 WeakPolarHBondContact O-CB 3.5Å; A552-K556 PolarHBondContact O-N 2.97Å; E553-K556 WeakPolarHBondContact O-CB 3.19Å; E553-K556 PolarHBondContact O-N 3.12Å; E553-K556 IonicContact OE1-NZ 3.33Å; E553-K556 PolarHBondContact OE1-NZ 3.22Å; E553-K556 IonicContact OE2-NZ 2.92Å; E553-K556 PolarHBondContact OE2-NZ 2.91Å; I554-K556 VanDerWaalsContact C-N 3.28Å; I554-K556 PolarHBondContact O-N 2.9Å; K556-A559 PolarHBondContact O-N 3.02Å; K556-S560 PolarHBondContact O-N 3.2Å
557H91.3Very high86Confident29 Ų2952.2 Ų52.213%0.13431%0.306CS..Hα-helixtrans-68.2-38.4177.9-71.8-63.9000112.9F367 H381 E553 I554 A559 S560 Y561F367-H557 HydrophobicContact CD1-CB 4.3Å; F367-H557 HydrophobicContact CE1-CB 3.72Å; F367-H557 HydrophobicContact CE2-CB 4.45Å; F367-H557 HydrophobicContact CZ-CB 3.81Å; H381-H557 AromaticContact CE1-CE1 3.75Å; H381-H557 AromaticContact CE1-CG 3.84Å; H381-H557 AromaticContact CE1-ND1 3.31Å; H381-H557 PolarHBondContact CE1-ND1 2.99Å; H381-H557 VanDerWaalsContact CE1-ND1 3.31Å; H381-H557 AromaticContact NE2-CE1 3.19Å; H381-H557 PolarHBondContact NE2-CE1 3.42Å; H381-H557 AromaticContact NE2-CG 4Å; H381-H557 AromaticContact NE2-ND1 3.25Å; H381-H557 PolarHBondContact NE2-ND1 2.87Å; H381-H557 AromaticContact NE2-NE2 3.92Å; E553-H557 PolarHBondContact O-CD2 2.87Å; E553-H557 PolarHBondContact O-N 2.78Å; E553-H557 IonicContact OE1-NE2 3.55Å; E553-H557 PolarHBondContact OE1-NE2 3.31Å; I554-H557 PolarHBondContact O-N 2.81Å; H557-A559 VanDerWaalsContact C-N 3.33Å; H557-A559 PolarHBondContact O-N 3.44Å; H557-S560 WeakPolarHBondContact O-CB 3.39Å; H557-S560 PolarHBondContact O-N 3.12Å; H557-Y561 PolarHBondContact O-N 3.2Å
558V89.9Confident85.8Confident24 Ų2451.1 Ų51.115%0.14530%0.299CS..Hα-helixtrans-60.3-44.4172.9170.10000110.7F367 P527 I554 V555 Y561 G562 C570 V605F367-V558 HydrophobicContact CE1-CG2 4.36Å; F367-V558 HydrophobicContact CZ-CG2 4.17Å; P527-V558 HydrophobicContact CB-CG1 3.86Å; P527-V558 HydrophobicContact CB-CG2 4.11Å; P527-V558 HydrophobicContact CG-CG1 3.81Å; P527-V558 HydrophobicContact CG-CG2 4.36Å; I554-V558 HydrophobicContact CG2-CG2 4.2Å; I554-V558 VanDerWaalsContact O-CG2 3.31Å; I554-V558 WeakPolarHBondContact O-CG2 3.49Å; I554-V558 PolarHBondContact O-N 3.11Å; V555-V558 PolarHBondContact O-N 3.03Å; V558-Y561 PolarHBondContact O-N 3.09Å; V558-G562 PolarHBondContact O-N 2.84Å; V558-C570 HydrophobicContact CG1-CB 4.09Å; V558-V605 HydrophobicContact CG2-CG1 4.3Å; V558-V605 HydrophobicContact CG2-CG2 3.9Å
559A86.5Confident85.6Confident45 Ų4551.4 Ų51.437%0.37229%0.286SS..Hα-helixtrans-61.9-45.317500000111.1V555 K556 H557 Y561 G562 T563V555-A559 WeakPolarHBondContact O-CB 3.38Å; V555-A559 PolarHBondContact O-N 2.73Å; K556-A559 PolarHBondContact O-N 3.02Å; H557-A559 VanDerWaalsContact C-N 3.33Å; H557-A559 PolarHBondContact O-N 3.44Å; A559-Y561 VanDerWaalsContact C-N 3.28Å; A559-Y561 PolarHBondContact O-N 3.21Å; A559-G562 PolarHBondContact O-N 3.25Å; A559-T563 PolarHBondContact O-N 3.04Å; A559-T563 PolarHBondContact O-OG1 2.76Å
560S87.6Confident85.8Confident71 Ų7149.4 Ų49.450%0.49727%0.273SS..Hα-helixtrans-57.4-40176-174.90000112.9K556 H557 G564K556-S560 PolarHBondContact O-N 3.2Å; H557-S560 WeakPolarHBondContact O-CB 3.39Å; H557-S560 PolarHBondContact O-N 3.12Å; S560-G564 VanDerWaalsContact O-CA 3.22Å; S560-G564 WeakPolarHBondContact O-CA 3.38Å; S560-G564 PolarHBondContact O-N 2.83Å; S560-G564 VanDerWaalsContact O-N 3.08Å
561Y88.3Confident86Confident9 Ų950.3 Ų50.34%0.03528%0.278CS..Hα-helixtrans-70.5-44.6176.2-81.816.7000111.3R365 M366 F367 H381 H557 V558 A559 T567 L568 C570R365-Y561 HydrophobicContact CB-CD2 4.25Å; R365-Y561 HydrophobicContact CB-CE1 4.37Å; R365-Y561 HydrophobicContact CB-CE2 3.47Å; R365-Y561 VanDerWaalsContact CB-CE2 3.47Å; M366-Y561 PolarHBondContact O-OH 2.84Å; F367-Y561 HydrophobicContact CD1-CD2 4.4Å; F367-Y561 AromaticContact CD1-CE2 3.83Å; F367-Y561 HydrophobicContact CD1-CE2 3.83Å; F367-Y561 HydrophobicContact CE1-CE2 4.47Å; H381-Y561 AromaticContact ND1-CE1 3.78Å; H381-Y561 AromaticContact ND1-CZ 3.62Å; H381-Y561 PolarHBondContact ND1-OH 2.84Å; H557-Y561 PolarHBondContact O-N 3.2Å; V558-Y561 PolarHBondContact O-N 3.09Å; A559-Y561 VanDerWaalsContact C-N 3.28Å; A559-Y561 PolarHBondContact O-N 3.21Å; Y561-T567 CarbonylContact O-C 3.53Å; Y561-T567 WeakPolarHBondContact O-CA 3.49Å; Y561-T567 PolarHBondContact O-N 2.92Å; Y561-L568 HydrophobicContact CD2-CD1 3.95Å; Y561-L568 HydrophobicContact CE2-CD1 4.49Å; Y561-L568 HydrophobicContact CG-CD1 4.04Å; Y561-L568 PolarHBondContact O-N 3.49Å; Y561-C570 WeakPolarHBondContact CB-SG 3.34Å
562G79.6Confident86.2Confident26 Ų2647.2 Ų47.227%0.26827%0.265SS..Hα-helixtrans-79.7-29.9-173.300000115.9V558 A559 T567 L568V558-G562 PolarHBondContact O-N 2.84Å; A559-G562 PolarHBondContact O-N 3.25Å; G562-T567 WeakPolarHBondContact O-CA 3.31Å; G562-L568 WeakPolarHBondContact CA-O 3.29Å
563T74.2Confident86.6Confident112 Ų11244.3 Ų44.369%0.68724%0.241SC*.Hα-helixtrans-120.3-6.6-177.364.60000113.7A559A559-T563 PolarHBondContact O-N 3.04Å; A559-T563 PolarHBondContact O-OG1 2.76Å
564G72.3Confident86.8Confident25 Ų2542.3 Ų42.326%0.25823%0.232SC..SBendtrans-80.2-164.4175.700000112.7S560 D566 T567S560-G564 VanDerWaalsContact O-CA 3.22Å; S560-G564 WeakPolarHBondContact O-CA 3.38Å; S560-G564 PolarHBondContact O-N 2.83Å; S560-G564 VanDerWaalsContact O-N 3.08Å; G564-D566 PolarHBondContact O-N 3.34Å; G564-T567 VanDerWaalsContact O-CG2 3.25Å; G564-T567 WeakPolarHBondContact O-CG2 3.5Å; G564-T567 PolarHBondContact O-N 2.86Å
565R71.5Confident87Confident154 Ų15442.3 Ų42.358%0.58123%0.232SC*.THydrogen-bonded Turntrans-55-24.3-179.9-175.8176172.3155.32.7114E653R565-E653 IonicContact CZ-OE1 3.12Å; R565-E653 IonicContact CZ-OE2 2.73Å; R565-E653 VanDerWaalsContact NH1-CD 3.33Å; R565-E653 IonicContact NH1-OE1 2.88Å; R565-E653 PolarHBondContact NH1-OE1 2.76Å; R565-E653 IonicContact NH1-OE2 3.94Å; R565-E653 PolarHBondContact NH1-OE2 3.1Å; R565-E653 IonicContact NH2-OE1 3.47Å; R565-E653 PolarHBondContact NH2-OE1 2.9Å; R565-E653 IonicContact NH2-OE2 2.7Å
566D72.9Confident87.1Confident25 Ų2539 Ų3913%0.13421%0.212CC..THydrogen-bonded Turntrans-89.6-27-175.5-62-30.4000114.2R365 G564 L568 R647R365-D566 WeakPolarHBondContact CD-OD2 3.42Å; R365-D566 IonicContact CZ-OD2 3.33Å; R365-D566 IonicContact NE-OD2 2.69Å; R365-D566 PolarHBondContact NE-OD2 3.45Å; R365-D566 IonicContact NH2-OD2 2.87Å; G564-D566 PolarHBondContact O-N 3.34Å; D566-L568 VanDerWaalsContact C-N 3.27Å; D566-L568 HydrophobicContact CB-CD1 3.9Å; D566-L568 HydrophobicContact CB-CD2 3.91Å; D566-L568 HydrophobicContact CB-CG 3.57Å; D566-L568 WeakPolarHBondContact O-CD2 3.49Å; D566-L568 PolarHBondContact O-N 3.45Å; D566-R647 VanDerWaalsContact CA-NH2 3.35Å; D566-R647 PolarHBondContact O-NH1 3.2Å; D566-R647 IonicContact OD1-CZ 2.68Å; D566-R647 IonicContact OD1-NH2 3.63Å; D566-R647 PolarHBondContact OD1-NH2 3.48Å
567T78.9Confident86.9Confident9 Ų933.8 Ų33.86%0.05519%0.19CC..  trans39.351.9-17655.70000114.2Y561 G562 G564 A643Y561-T567 CarbonylContact O-C 3.53Å; Y561-T567 WeakPolarHBondContact O-CA 3.49Å; Y561-T567 PolarHBondContact O-N 2.92Å; G562-T567 WeakPolarHBondContact O-CA 3.31Å; G564-T567 VanDerWaalsContact O-CG2 3.25Å; G564-T567 WeakPolarHBondContact O-CG2 3.5Å; G564-T567 PolarHBondContact O-N 2.86Å; T567-A643 HydrophobicContact CG2-CB 3.41Å; T567-A643 VanDerWaalsContact CG2-CB 3.41Å; T567-A643 VanDerWaalsContact OG1-CB 3.29Å; T567-A643 WeakPolarHBondContact OG1-CB 3.45Å
568L87.3Confident86.8Confident8 Ų836.6 Ų36.64%0.04222%0.218CC..  trans-81.3144-175.2-53.9176000111.3C364 R365 Y561 G562 D566 C570 M608 L609C364-L568 HydrophobicContact CB-CD2 4.35Å; R365-L568 HydrophobicContact CB-CD1 3.83Å; R365-L568 HydrophobicContact CG-CD1 4.01Å; Y561-L568 HydrophobicContact CD2-CD1 3.95Å; Y561-L568 HydrophobicContact CE2-CD1 4.49Å; Y561-L568 HydrophobicContact CG-CD1 4.04Å; Y561-L568 PolarHBondContact O-N 3.49Å; G562-L568 WeakPolarHBondContact CA-O 3.29Å; D566-L568 VanDerWaalsContact C-N 3.27Å; D566-L568 HydrophobicContact CB-CD1 3.9Å; D566-L568 HydrophobicContact CB-CD2 3.91Å; D566-L568 HydrophobicContact CB-CG 3.57Å; D566-L568 WeakPolarHBondContact O-CD2 3.49Å; D566-L568 PolarHBondContact O-N 3.45Å; L568-C570 PolarHBondContact O-N 3.06Å; L568-M608 CarbonylContact C-O 3.55Å; L568-M608 WeakPolarHBondContact CA-O 3.39Å; L568-L609 HydrophobicContact CD2-CB 3.58Å; L568-L609 HydrophobicContact CD2-CD2 4.26Å
569R87.5Confident86.8Confident116 Ų11636.2 Ų36.244%0.43822%0.216SC..EExtended strand (participates in β ladder)trans-71.8109.5161.4-178.9175.6-177.4166.7-3.9109.1T441 M608T441-R569 PolarHBondContact OG1-NH1 3.33Å; T441-R569 VanDerWaalsContact OG1-NH1 3.08Å; R569-M608 HydrophobicContact CB-CG 3.91Å; R569-M608 HydrophobicContact CG-CG 4.35Å; R569-M608 PolarHBondContact N-O 3.4Å; R569-M608 WeakPolarHBondContact O-CG 3.44Å; R569-M608 PolarHBondContact O-N 2.97Å
570C92.1Very high87Confident17 Ų1736.8 Ų36.812%0.11522%0.215CC..EExtended strand (participates in β ladder)trans-88.5135.6178.8-62.70000112.4P527 V558 Y561 L568 V605 V606P527-C570 WeakPolarHBondContact CD-O 3.44Å; P527-C570 HydrophobicContact CG-CB 3.9Å; V558-C570 HydrophobicContact CG1-CB 4.09Å; Y561-C570 WeakPolarHBondContact CB-SG 3.34Å; L568-C570 PolarHBondContact O-N 3.06Å; C570-V605 HydrophobicContact CB-CG1 4Å; C570-V606 CarbonylContact C-O 3.45Å; C570-V606 WeakPolarHBondContact CA-O 3.32Å
571L95.5Very high87Confident20 Ų2037.8 Ų37.811%0.10521%0.214CC..EExtended strand (participates in β ladder)trans-119.4129164.7-77.9173.6000109.4T441 L445 G525 V605 V606 M608T441-L571 HydrophobicContact CG2-CD1 3.82Å; L445-L571 HydrophobicContact CD1-CD1 4.32Å; G525-L571 WeakPolarHBondContact O-CD2 3.31Å; L571-V605 WeakPolarHBondContact O-CA 3.41Å; L571-V606 HydrophobicContact CB-CG2 3.89Å; L571-V606 PolarHBondContact N-O 3.06Å; L571-V606 PolarHBondContact O-N 3.16Å; L571-M608 HydrophobicContact CD1-CE 3.77Å; L571-M608 HydrophobicContact CG-CE 4.44Å
572A97Very high87Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-84.1138.2169.100000109.9K524 G525 P527 V530 F602 V605K524-A572 WeakPolarHBondContact CA-O 3.27Å; G525-A572 PolarHBondContact N-O 3.24Å; G525-A572 VanDerWaalsContact N-O 3.12Å; G525-A572 PolarHBondContact O-N 3.02Å; P527-A572 HydrophobicContact CB-CB 4.22Å; P527-A572 HydrophobicContact CG-CB 4.38Å; V530-A572 HydrophobicContact CB-CB 4.11Å; V530-A572 HydrophobicContact CG1-CB 4.22Å; A572-F602 HydrophobicContact CB-CE2 4.37Å; A572-V605 HydrophobicContact CB-CG2 4.33Å
573L98.1Very high87.4Confident0 Ų045.1 Ų45.10%026%0.256CS..EExtended strand (participates in β ladder)trans-114.3128.1179-54.2179.4000108.4V413 I416 K524 V603 G604 V606V413-L573 HydrophobicContact CB-CD1 4.33Å; V413-L573 HydrophobicContact CG1-CD1 3.73Å; V413-L573 HydrophobicContact CG2-CD1 4.22Å; I416-L573 HydrophobicContact CD1-CB 4.1Å; I416-L573 HydrophobicContact CG2-CB 4.12Å; I416-L573 HydrophobicContact CG2-CD2 3.92Å; I416-L573 HydrophobicContact CG2-CG 4.44Å; K524-L573 HydrophobicContact CB-CD2 3.79Å; L573-V603 PolarHBondContact O-N 3.44Å; L573-G604 PolarHBondContact N-O 2.89Å; L573-G604 PolarHBondContact O-N 3.38Å; L573-V606 HydrophobicContact CD1-CG1 3.93Å
574A97.1Very high88.1Confident0 Ų046.3 Ų46.30%025%0.254CS..EExtended strand (participates in β ladder)trans-142.3166.1-178.700000111V523 V530 L600 T601V523-A574 HydrophobicContact CB-CB 4.39Å; V523-A574 PolarHBondContact N-O 3.29Å; V523-A574 PolarHBondContact O-N 3.12Å; V523-A574 VanDerWaalsContact O-O 3.13Å; V530-A574 HydrophobicContact CG1-CB 3.73Å; A574-L600 HydrophobicContact CB-CB 4.2Å; A574-L600 HydrophobicContact CB-CD1 4.36Å; A574-T601 CarbonylContact C-O 3.57Å; A574-T601 VanDerWaalsContact CA-O 3.24Å; A574-T601 WeakPolarHBondContact CA-O 3.19Å; A574-T601 WeakPolarHBondContact CB-O 3.14Å
575T95.6Very high89Confident0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-135141.2176.3-175.70000110.8E412 M521 F522 R538 D577 T601 V603E412-T575 WeakPolarHBondContact OE1-CG2 3.42Å; M521-T575 CarbonylContact O-C 3.46Å; M521-T575 VanDerWaalsContact O-CA 3.27Å; M521-T575 WeakPolarHBondContact O-CA 3.35Å; M521-T575 PolarHBondContact O-OG1 3.4Å; F522-T575 WeakPolarHBondContact CD1-OG1 3.14Å; R538-T575 VanDerWaalsContact NH2-CG2 3.27Å; T575-D577 WeakPolarHBondContact CG2-OD1 3.27Å; T575-T601 PolarHBondContact N-O 2.71Å; T575-T601 PolarHBondContact O-N 3.37Å; T575-V603 HydrophobicContact CG2-CG2 3.99Å
576C93.7Very high89.8Confident7 Ų741.2 Ų41.25%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-91.1110.8163.2-1650000107.7M521 A578 P579 L600M521-C576 HydrophobicContact CB-CB 3.77Å; M521-C576 PolarHBondContact N-O 3.42Å; M521-C576 VanDerWaalsContact N-O 3.12Å; M521-C576 PolarHBondContact O-N 3.46Å; C576-A578 VanDerWaalsContact C-N 3.29Å; C576-A578 PolarHBondContact O-N 2.74Å; C576-P579 HydrophobicContact CB-CB 4.45Å; C576-L600 HydrophobicContact CB-CD2 3.79Å
577D89Confident90.4Very high13 Ų1343.8 Ų43.87%0.0725%0.245CC..SBendtrans-71.1-25.3-176.5-66.1-43.1000113.3R520 R538 K543 T575 T601R520-D577 IonicContact CZ-OD1 3.97Å; R520-D577 IonicContact NH1-OD1 3.65Å; R520-D577 PolarHBondContact NH1-OD1 3.5Å; R538-D577 IonicContact CZ-OD1 2.98Å; R538-D577 IonicContact NH1-OD1 2.75Å; R538-D577 IonicContact NH1-OD2 2.72Å; R538-D577 IonicContact NH2-OD1 3.48Å; R538-D577 PolarHBondContact NH2-OD1 3.16Å; R538-D577 IonicContact NH2-OD2 3.76Å; K543-D577 WeakPolarHBondContact CD-OD2 3.38Å; T575-D577 WeakPolarHBondContact CG2-OD1 3.27Å; D577-T601 PolarHBondContact OD2-OG1 3.4Å
578A88.2Confident90.5Very high88 Ų8852.3 Ų52.373%0.72728%0.284SS*.SBendtrans-140.275.1-179.600000109.5C576C576-A578 VanDerWaalsContact C-N 3.29Å; C576-A578 PolarHBondContact O-N 2.74Å
579P90.5Very high90.2Very high15 Ų1554.2 Ų54.210%0.09730%0.295CS..PPolyproline II helixtrans-68.7155.7-178.531.6-35.4000111.4Y497 P519 M521 C576Y497-P579 HydrophobicContact CD2-CB 4.24Å; Y497-P579 HydrophobicContact CD2-CG 4.3Å; Y497-P579 HydrophobicContact CE2-CB 3.85Å; Y497-P579 HydrophobicContact CE2-CG 3.72Å; P519-P579 HydrophobicContact CB-CG 4.02Å; P519-P579 HydrophobicContact CG-CG 4.08Å; P519-P579 WeakPolarHBondContact O-CD 3.38Å; M521-P579 HydrophobicContact CB-CB 4.12Å; M521-P579 HydrophobicContact CE-CB 3.79Å; C576-P579 HydrophobicContact CB-CB 4.45Å
580V89.7Confident89.9Confident58 Ų5849.9 Ų49.935%0.35228%0.282SS..PPolyproline II helixtrans-59.3143.5173.6-166.20000109.4Y497 K582 Q584Y497-V580 WeakPolarHBondContact CE2-O 3.44Å; V580-K582 PolarHBondContact O-N 2.8Å; V580-Q584 HydrophobicContact CG1-CB 3.95Å
581N88.6Confident89.3Confident92 Ų9253.3 Ų53.349%0.49230%0.302SS..PPolyproline II helixtrans-58.4135.3-179.8-172.5-53.5000110.8A583 Q584N581-A583 PolarHBondContact O-N 2.93Å; N581-A583 PolarHBondContact OD1-N 2.71Å; N581-Q584 WeakPolarHBondContact O-CB 3.4Å; N581-Q584 PolarHBondContact O-N 2.79Å
582K87.3Confident88.9Confident97 Ų9755.4 Ų55.442%0.42231%0.311SS..G310 helixtrans-49.6-32.8179.867.4176.3178.41780114.9E482 F483 V580 Q584 M585E482-K582 IonicContact OE2-NZ 3.12Å; E482-K582 PolarHBondContact OE2-NZ 3.4Å; F483-K582 HydrophobicContact CE1-CB 3.9Å; F483-K582 HydrophobicContact CZ-CB 4.25Å; V580-K582 PolarHBondContact O-N 2.8Å; K582-Q584 PolarHBondContact O-N 3.44Å; K582-M585 PolarHBondContact O-N 2.94Å
583A87.8Confident88.6Confident91 Ų9155.7 Ų55.775%0.75231%0.312SS*.G310 helixtrans-68.4-16.2178.800000114N581N581-A583 PolarHBondContact O-N 2.93Å; N581-A583 PolarHBondContact OD1-N 2.71Å
584Q89.8Confident88.1Confident138 Ų13857.7 Ų57.765%0.64532%0.324SS*.G310 helixtrans-99.81.3178-60.8176.9-1100112.2V580 N581 K582V580-Q584 HydrophobicContact CG1-CB 3.95Å; N581-Q584 WeakPolarHBondContact O-CB 3.4Å; N581-Q584 PolarHBondContact O-N 2.79Å; K582-Q584 PolarHBondContact O-N 3.44Å
585M90.3Very high87.9Confident16 Ų1664.7 Ų64.78%0.07936%0.355CS..  trans-98.4126.5-179-56.318083.700109.2F483 L485 Y497 M521 K582 L587 Y596F483-M585 HydrophobicContact CE2-CE 4.25Å; F483-M585 HydrophobicContact CE2-SD 4.14Å; F483-M585 HydrophobicContact CZ-CE 4.41Å; F483-M585 HydrophobicContact CZ-SD 3.71Å; L485-M585 HydrophobicContact CD1-CE 4.16Å; Y497-M585 HydrophobicContact CD2-SD 4.08Å; Y497-M585 HydrophobicContact CE2-SD 4.19Å; M521-M585 HydrophobicContact CE-CE 3.68Å; K582-M585 PolarHBondContact O-N 2.94Å; M585-L587 HydrophobicContact CB-CD2 3.97Å; M585-Y596 HydrophobicContact CB-CE1 4.5Å; M585-Y596 HydrophobicContact CB-CE2 4.14Å; M585-Y596 HydrophobicContact CE-CD1 4.07Å; M585-Y596 HydrophobicContact CE-CD2 3.55Å; M585-Y596 HydrophobicContact CE-CE2 4.32Å; M585-Y596 HydrophobicContact CE-CG 3.43Å; M585-Y596 VanDerWaalsContact CE-CG 3.43Å; M585-Y596 HydrophobicContact CG-CD1 4.38Å; M585-Y596 HydrophobicContact CG-CE1 4.34Å
586D88.3Confident87.8Confident56 Ų5666 Ų6630%0.29936%0.36SS..  trans-90.6105.6169.4-179.9-4.2000107.6E588 D589 K592 Y596D586-E588 VanDerWaalsContact C-N 3.35Å; D586-E588 PolarHBondContact OD1-N 3.19Å; D586-E588 VanDerWaalsContact OD1-N 3.1Å; D586-D589 PolarHBondContact OD1-N 3.1Å; D586-K592 HydrophobicContact CB-CD 3.89Å; D586-K592 IonicContact OD2-NZ 2.78Å; D586-K592 PolarHBondContact OD2-NZ 3.17Å; D586-Y596 PolarHBondContact N-OH 2.79Å
587L86.8Confident87.8Confident78 Ų7865.7 Ų65.741%0.40836%0.358SS..SBendtrans-85.5-10.3-175.7-55.8-178.5000112.5F483 L485 M585F483-L587 HydrophobicContact CB-CD1 4.42Å; F483-L587 HydrophobicContact CD1-CD1 4Å; F483-L587 HydrophobicContact CD2-CD1 4.16Å; F483-L587 HydrophobicContact CD2-CD2 3.77Å; F483-L587 HydrophobicContact CE1-CD1 4.3Å; F483-L587 HydrophobicContact CE2-CD1 4.43Å; F483-L587 HydrophobicContact CE2-CD2 3.57Å; F483-L587 HydrophobicContact CG-CD1 3.93Å; F483-L587 HydrophobicContact CG-CD2 4.39Å; F483-L587 HydrophobicContact CZ-CD1 4.5Å; F483-L587 HydrophobicContact CZ-CD2 4.05Å; L485-L587 HydrophobicContact CD2-CD2 3.82Å; M585-L587 HydrophobicContact CB-CD2 3.97Å
588E80.1Confident88Confident188 Ų18868.6 Ų68.688%0.87937%0.371SS*.SBendtrans-85.1-28.5178.9-62.3-174.2174.600111.6D586D586-E588 VanDerWaalsContact C-N 3.35Å; D586-E588 PolarHBondContact OD1-N 3.19Å; D586-E588 VanDerWaalsContact OD1-N 3.1Å
589D81.2Confident88.3Confident49 Ų4969.4 Ų69.426%0.26236%0.363SS..  trans-98.994.9179.7-176.22.2000112.6D586 T591 K592 F593D586-D589 PolarHBondContact OD1-N 3.1Å; D589-T591 VanDerWaalsContact CG-OG1 3.28Å; D589-T591 PolarHBondContact O-N 3.33Å; D589-T591 VanDerWaalsContact O-N 3.11Å; D589-T591 WeakPolarHBondContact OD1-CB 3.29Å; D589-T591 PolarHBondContact OD1-N 3.44Å; D589-T591 PolarHBondContact OD1-OG1 2.85Å; D589-T591 PolarHBondContact OD2-OG1 3.45Å; D589-K592 HydrophobicContact CB-CD 4.06Å; D589-K592 HydrophobicContact CB-CG 4.36Å; D589-K592 WeakPolarHBondContact O-CB 3.31Å; D589-K592 PolarHBondContact O-N 2.98Å; D589-K592 WeakPolarHBondContact OD2-CE 3.27Å; D589-K592 IonicContact OD2-NZ 3.45Å; D589-F593 WeakPolarHBondContact O-CE1 3.43Å
590S80.4Confident88.5Confident24 Ų2468.7 Ų68.717%0.16836%0.358CS..G310 helixtrans-58.5-22.7178.162.20000115T171 K592 F593T171-S590 WeakPolarHBondContact CG2-OG 3.46Å; S590-K592 PolarHBondContact O-N 2.93Å; S590-F593 WeakPolarHBondContact O-CB 3.42Å; S590-F593 WeakPolarHBondContact O-CG 3.44Å; S590-F593 PolarHBondContact O-N 3.08Å; S590-F593 VanDerWaalsContact O-N 3.16Å
591T80.4Confident88.8Confident89 Ų8966 Ų6655%0.54634%0.342SS..G310 helixtrans-68.9-20178.272.80000112.4D589D589-T591 VanDerWaalsContact CG-OG1 3.28Å; D589-T591 PolarHBondContact O-N 3.33Å; D589-T591 VanDerWaalsContact O-N 3.11Å; D589-T591 WeakPolarHBondContact OD1-CB 3.29Å; D589-T591 PolarHBondContact OD1-N 3.44Å; D589-T591 PolarHBondContact OD1-OG1 2.85Å; D589-T591 PolarHBondContact OD2-OG1 3.45Å
592K87.1Confident89.2Confident64 Ų6461.6 Ų61.628%0.27832%0.318SS..G310 helixtrans-83-15.3176.4-66.9173.7-175.2162.20112.8D586 D589 S590 V594 K595 Y596D586-K592 HydrophobicContact CB-CD 3.89Å; D586-K592 IonicContact OD2-NZ 2.78Å; D586-K592 PolarHBondContact OD2-NZ 3.17Å; D589-K592 HydrophobicContact CB-CD 4.06Å; D589-K592 HydrophobicContact CB-CG 4.36Å; D589-K592 WeakPolarHBondContact O-CB 3.31Å; D589-K592 PolarHBondContact O-N 2.98Å; D589-K592 WeakPolarHBondContact OD2-CE 3.27Å; D589-K592 IonicContact OD2-NZ 3.45Å; S590-K592 PolarHBondContact O-N 2.93Å; K592-V594 PolarHBondContact O-N 3.15Å; K592-K595 WeakPolarHBondContact O-CB 3.33Å; K592-K595 PolarHBondContact O-N 2.9Å; K592-Y596 HydrophobicContact CB-CE2 3.87Å; K592-Y596 PolarHBondContact O-N 3.16Å
593F90.4Very high89.6Confident6 Ų657 Ų573%0.02630%0.299CS..Hα-helixtrans-60.5-34.4-174.1-63.6-3.3000112.4L485 E486 D589 S590 K595 Y596 E597L485-F593 HydrophobicContact CB-CB 4.41Å; L485-F593 HydrophobicContact CB-CD2 3.82Å; L485-F593 HydrophobicContact CB-CE2 4.23Å; L485-F593 HydrophobicContact CB-CG 4.06Å; L485-F593 HydrophobicContact CD1-CB 4.15Å; L485-F593 HydrophobicContact CD1-CD1 4.4Å; L485-F593 HydrophobicContact CD1-CG 4.21Å; L485-F593 HydrophobicContact CD2-CD1 3.92Å; L485-F593 HydrophobicContact CD2-CD2 4.35Å; L485-F593 HydrophobicContact CD2-CE1 3.9Å; L485-F593 HydrophobicContact CD2-CE2 4.33Å; L485-F593 HydrophobicContact CD2-CG 4.16Å; L485-F593 HydrophobicContact CD2-CZ 4.11Å; L485-F593 HydrophobicContact CG-CG 4.38Å; E486-F593 HydrophobicContact CG-CE2 4.16Å; D589-F593 WeakPolarHBondContact O-CE1 3.43Å; S590-F593 WeakPolarHBondContact O-CB 3.42Å; S590-F593 WeakPolarHBondContact O-CG 3.44Å; S590-F593 PolarHBondContact O-N 3.08Å; S590-F593 VanDerWaalsContact O-N 3.16Å; F593-K595 PolarHBondContact O-N 3.47Å; F593-Y596 HydrophobicContact CD1-CD2 4.13Å; F593-Y596 HydrophobicContact CD1-CE2 4.19Å; F593-Y596 WeakPolarHBondContact O-CB 3.38Å; F593-Y596 PolarHBondContact O-N 3.26Å; F593-Y596 VanDerWaalsContact O-N 3.07Å; F593-E597 PolarHBondContact O-N 3.29Å
594V88.4Confident90Very high43 Ų4352.7 Ų52.726%0.26126%0.263SS..Hα-helixtrans-59.9-30.5174.573.30000113R491 K592 Q598R491-V594 HydrophobicContact CB-CB 4.15Å; R491-V594 HydrophobicContact CB-CG2 4.02Å; K592-V594 PolarHBondContact O-N 3.15Å; V594-Q598 WeakPolarHBondContact O-CG 3.3Å; V594-Q598 PolarHBondContact O-NE2 2.86Å
595K91.6Very high90.3Very high147 Ų14746.2 Ų46.264%0.63923%0.232SC*.Hα-helixtrans-76.8-26.4178.1-60.6-179.9-179.8174.50112.1K592 F593 Q598K592-K595 WeakPolarHBondContact O-CB 3.33Å; K592-K595 PolarHBondContact O-N 2.9Å; F593-K595 PolarHBondContact O-N 3.47Å; K595-Q598 VanDerWaalsContact O-CG 3.26Å; K595-Q598 WeakPolarHBondContact O-CG 3.26Å
596Y93.3Very high90.6Very high27 Ų2745.4 Ų45.411%0.10623%0.229CC..Hα-helixtrans-80.2-32.3176.5-57-33.3000112.1L485 M585 D586 K592 F593 Q598L485-Y596 HydrophobicContact CD1-CD2 4.11Å; M585-Y596 HydrophobicContact CB-CE1 4.5Å; M585-Y596 HydrophobicContact CB-CE2 4.14Å; M585-Y596 HydrophobicContact CE-CD1 4.07Å; M585-Y596 HydrophobicContact CE-CD2 3.55Å; M585-Y596 HydrophobicContact CE-CE2 4.32Å; M585-Y596 HydrophobicContact CE-CG 3.43Å; M585-Y596 VanDerWaalsContact CE-CG 3.43Å; M585-Y596 HydrophobicContact CG-CD1 4.38Å; M585-Y596 HydrophobicContact CG-CE1 4.34Å; D586-Y596 PolarHBondContact N-OH 2.79Å; K592-Y596 HydrophobicContact CB-CE2 3.87Å; K592-Y596 PolarHBondContact O-N 3.16Å; F593-Y596 HydrophobicContact CD1-CD2 4.13Å; F593-Y596 HydrophobicContact CD1-CE2 4.19Å; F593-Y596 WeakPolarHBondContact O-CB 3.38Å; F593-Y596 PolarHBondContact O-N 3.26Å; F593-Y596 VanDerWaalsContact O-N 3.07Å; Y596-Q598 PolarHBondContact O-N 3.31Å; Y596-Q598 VanDerWaalsContact O-N 3.12Å
597E93.6Very high90.9Very high0 Ų042.8 Ų42.80%021%0.214CC..SBendtrans-85.550.7175.9-65.1173.6-176.700111.9R491 S493 S495 M521 R533 F593R491-E597 WeakPolarHBondContact CD-OE2 3.19Å; R491-E597 IonicContact CZ-OE1 3.68Å; R491-E597 IonicContact NE-OE1 3.66Å; R491-E597 PolarHBondContact NE-OE1 2.99Å; R491-E597 IonicContact NE-OE2 2.73Å; R491-E597 PolarHBondContact NE-OE2 2.88Å; R491-E597 IonicContact NH2-OE1 2.75Å; R491-E597 PolarHBondContact NH2-OE1 2.78Å; S493-E597 PolarHBondContact OG-OE2 2.82Å; S495-E597 WeakPolarHBondContact CB-OE1 3.28Å; S495-E597 PolarHBondContact OG-OE1 2.98Å; M521-E597 HydrophobicContact SD-CG 4.2Å; R533-E597 WeakPolarHBondContact CB-O 3.48Å; R533-E597 WeakPolarHBondContact CD-O 3.47Å; R533-E597 IonicContact CZ-OE2 3.39Å; R533-E597 IonicContact NH1-OE2 2.64Å; R533-E597 PolarHBondContact NH1-OE2 3.41Å; R533-E597 IonicContact NH2-OE2 3.02Å; F593-E597 PolarHBondContact O-N 3.29Å
598Q93.8Very high91.1Very high75 Ų7539 Ų3935%0.3520%0.195SC..  trans-114165.6179.3-65-67-26.300111.5V594 K595 Y596 L600V594-Q598 WeakPolarHBondContact O-CG 3.3Å; V594-Q598 PolarHBondContact O-NE2 2.86Å; K595-Q598 VanDerWaalsContact O-CG 3.26Å; K595-Q598 WeakPolarHBondContact O-CG 3.26Å; Y596-Q598 PolarHBondContact O-N 3.31Å; Y596-Q598 VanDerWaalsContact O-N 3.12Å; Q598-L600 VanDerWaalsContact C-N 3.26Å; Q598-L600 PolarHBondContact O-N 2.84Å
599N93.8Very high91.5Very high105 Ų10530.7 Ų30.756%0.56116%0.156SC*.SBendtrans53.642.5-179.3-65.4-44.3000113R533 T535R533-N599 PolarHBondContact O-N 3.11Å; T535-N599 WeakPolarHBondContact OG1-CA 3.45Å
600L96Very high91.5Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-76.1155.1-175.3-54.3178.9000111.4V523 V530 R533 C534 T535 F536 A574 C576 Q598V523-L600 HydrophobicContact CB-CD1 4.45Å; V523-L600 HydrophobicContact CG1-CD1 4.24Å; V523-L600 HydrophobicContact CG2-CD1 4.2Å; V523-L600 HydrophobicContact CG2-CD2 3.88Å; V530-L600 HydrophobicContact CG1-CD1 4.36Å; R533-L600 HydrophobicContact CB-CD1 3.98Å; R533-L600 HydrophobicContact CB-CG 4.36Å; R533-L600 WeakPolarHBondContact O-CB 3.28Å; R533-L600 PolarHBondContact O-N 3.12Å; C534-L600 CarbonylContact C-O 3.56Å; C534-L600 VanDerWaalsContact CA-O 3.24Å; C534-L600 WeakPolarHBondContact CA-O 3.4Å; T535-L600 PolarHBondContact N-O 3.44Å; F536-L600 PolarHBondContact N-O 3.37Å; F536-L600 VanDerWaalsContact N-O 3.1Å; A574-L600 HydrophobicContact CB-CB 4.2Å; A574-L600 HydrophobicContact CB-CD1 4.36Å; C576-L600 HydrophobicContact CB-CD2 3.79Å; Q598-L600 VanDerWaalsContact C-N 3.26Å; Q598-L600 PolarHBondContact O-N 2.84Å
601T95.6Very high91.5Very high0 Ų028.3 Ų28.30%014%0.142CC..EExtended strand (participates in β ladder)trans-106.1114169.1-57.60000108.3F536 R538 K543 A574 T575 D577F536-T601 HydrophobicContact CB-CG2 3.99Å; F536-T601 WeakPolarHBondContact CB-OG1 3.41Å; F536-T601 WeakPolarHBondContact O-CA 3.35Å; R538-T601 HydrophobicContact CB-CG2 4.01Å; K543-T601 HydrophobicContact CG-CG2 4.17Å; A574-T601 CarbonylContact C-O 3.57Å; A574-T601 VanDerWaalsContact CA-O 3.24Å; A574-T601 WeakPolarHBondContact CA-O 3.19Å; A574-T601 WeakPolarHBondContact CB-O 3.14Å; T575-T601 PolarHBondContact N-O 2.71Å; T575-T601 PolarHBondContact O-N 3.37Å; D577-T601 PolarHBondContact OD2-OG1 3.4Å
602F96.5Very high91.6Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-65.4132.4174.5172.7-95.5000110.4F367 F369 L531 C534 F536 V537 R538 M546 I554 A572 G604 V605F367-F602 HydrophobicContact CE2-CE1 4.48Å; F367-F602 HydrophobicContact CE2-CZ 4.01Å; F369-F602 HydrophobicContact CD2-CD1 4.34Å; F369-F602 HydrophobicContact CD2-CE1 4.08Å; F369-F602 HydrophobicContact CE2-CD1 4.33Å; F369-F602 HydrophobicContact CE2-CE1 4.02Å; L531-F602 HydrophobicContact CD2-CD2 3.51Å; L531-F602 HydrophobicContact CD2-CE2 3.91Å; L531-F602 HydrophobicContact CD2-CG 4.15Å; C534-F602 HydrophobicContact CB-CB 4.29Å; F536-F602 PolarHBondContact O-N 2.69Å; V537-F602 CarbonylContact C-O 3.53Å; V537-F602 HydrophobicContact CG1-CD1 4.27Å; V537-F602 HydrophobicContact CG2-CB 4.4Å; R538-F602 WeakPolarHBondContact CB-O 3.14Å; R538-F602 PolarHBondContact N-O 2.88Å; M546-F602 HydrophobicContact CE-CB 3.86Å; M546-F602 HydrophobicContact CE-CG 4.5Å; I554-F602 HydrophobicContact CD1-CD1 3.72Å; I554-F602 HydrophobicContact CD1-CD2 4.33Å; I554-F602 HydrophobicContact CD1-CE1 3.78Å; I554-F602 HydrophobicContact CD1-CE2 4.37Å; I554-F602 HydrophobicContact CD1-CG 4Å; I554-F602 HydrophobicContact CD1-CZ 4.1Å; I554-F602 HydrophobicContact CG1-CD1 4.46Å; I554-F602 HydrophobicContact CG1-CE1 4.03Å; I554-F602 HydrophobicContact CG1-CZ 4.19Å; I554-F602 HydrophobicContact CG2-CE1 4.46Å; I554-F602 HydrophobicContact CG2-CE2 3.95Å; I554-F602 HydrophobicContact CG2-CZ 3.79Å; A572-F602 HydrophobicContact CB-CE2 4.37Å; F602-G604 WeakPolarHBondContact CE2-O 3.43Å; F602-V605 HydrophobicContact CE2-CG2 3.8Å; F602-V605 HydrophobicContact CZ-CG2 3.84Å
603V95.9Very high91.2Very high2 Ų224.1 Ų24.11%0.01212%0.118CC..EExtended strand (participates in β ladder)trans-110.2-46.1-178.5-178.10000111.6E412 V413 I416 R538 L573 T575E412-V603 HydrophobicContact CB-CG1 3.91Å; E412-V603 HydrophobicContact CG-CG1 4.03Å; E412-V603 HydrophobicContact CG-CG2 4.19Å; V413-V603 HydrophobicContact CG2-CG1 3.89Å; I416-V603 HydrophobicContact CD1-CB 3.99Å; I416-V603 HydrophobicContact CD1-CG1 4.26Å; I416-V603 HydrophobicContact CD1-CG2 3.8Å; R538-V603 HydrophobicContact CB-CG2 4.29Å; L573-V603 PolarHBondContact O-N 3.44Å; T575-V603 HydrophobicContact CG2-CG2 3.99Å
604G96.2Very high90.6Very high0 Ų031.4 Ų31.40%015%0.154CC..EExtended strand (participates in β ladder)trans-179.5-178.3-178.500000113.3F367 L573 F602F367-G604 VanDerWaalsContact O-CA 3.23Å; F367-G604 WeakPolarHBondContact O-CA 3.28Å; L573-G604 PolarHBondContact N-O 2.89Å; L573-G604 PolarHBondContact O-N 3.38Å; F602-G604 WeakPolarHBondContact CE2-O 3.43Å
605V97Very high90.3Very high1 Ų132.6 Ų32.61%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-128.8140.8174.8169.20000109.5M366 F367 V558 C570 L571 A572 F602M366-V605 CarbonylContact C-O 3.57Å; M366-V605 WeakPolarHBondContact CA-O 3.16Å; M366-V605 WeakPolarHBondContact CB-O 3.4Å; F367-V605 HydrophobicContact CD1-CB 3.9Å; F367-V605 HydrophobicContact CD1-CG1 4.34Å; F367-V605 HydrophobicContact CE1-CB 3.43Å; F367-V605 VanDerWaalsContact CE1-CB 3.43Å; F367-V605 HydrophobicContact CE1-CG1 3.78Å; F367-V605 HydrophobicContact CE1-CG2 3.86Å; F367-V605 HydrophobicContact CE2-CB 4.2Å; F367-V605 HydrophobicContact CE2-CG2 4.14Å; F367-V605 HydrophobicContact CG-CB 4.49Å; F367-V605 HydrophobicContact CZ-CB 3.59Å; F367-V605 HydrophobicContact CZ-CG1 4.32Å; F367-V605 HydrophobicContact CZ-CG2 3.52Å; F367-V605 PolarHBondContact N-O 2.79Å; F367-V605 PolarHBondContact O-N 2.95Å; V558-V605 HydrophobicContact CG2-CG1 4.3Å; V558-V605 HydrophobicContact CG2-CG2 3.9Å; C570-V605 HydrophobicContact CB-CG1 4Å; L571-V605 WeakPolarHBondContact O-CA 3.41Å; A572-V605 HydrophobicContact CB-CG2 4.33Å; F602-V605 HydrophobicContact CE2-CG2 3.8Å; F602-V605 HydrophobicContact CZ-CG2 3.84Å
606V96.9Very high90.2Very high0 Ų025.6 Ų25.60%013%0.127CC..EExtended strand (participates in β ladder)trans-111.8136.2168.1-640000109.2V363 M366 V413 L445 L448 C570 L571 L573 M608V363-V606 HydrophobicContact CG1-CB 4.07Å; V363-V606 HydrophobicContact CG1-CG1 4.45Å; M366-V606 HydrophobicContact CB-CG1 3.98Å; V413-V606 HydrophobicContact CG1-CG1 4.42Å; L445-V606 HydrophobicContact CD2-CG2 3.76Å; L448-V606 HydrophobicContact CD2-CG1 3.78Å; C570-V606 CarbonylContact C-O 3.45Å; C570-V606 WeakPolarHBondContact CA-O 3.32Å; L571-V606 HydrophobicContact CB-CG2 3.89Å; L571-V606 PolarHBondContact N-O 3.06Å; L571-V606 PolarHBondContact O-N 3.16Å; L573-V606 HydrophobicContact CD1-CG1 3.93Å; V606-M608 HydrophobicContact CG2-CE 4.19Å
607G94.1Very high90Very high0 Ų029.3 Ų29.30%014%0.143CC..EExtended strand (participates in β ladder)trans-113.3119.1175.500000109.8C364 R365C364-G607 PolarHBondContact N-O 2.77Å; R365-G607 PolarHBondContact N-O 3.1Å; R365-G607 PolarHBondContact O-N 3.04Å
608M91.6Very high89.9Confident0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-120156.1-179.364.5-171.672.400112.2M361 S362 V363 T441 A444 L445 L568 R569 L571 V606M361-M608 HydrophobicContact CG-CB 4.2Å; M361-M608 HydrophobicContact CG-CG 3.96Å; M361-M608 HydrophobicContact CG-SD 3.69Å; M361-M608 HydrophobicContact SD-CB 4.13Å; M361-M608 HydrophobicContact SD-CG 3.74Å; M361-M608 HydrophobicContact SD-SD 4.16Å; S362-M608 CarbonylContact O-C 3.6Å; S362-M608 WeakPolarHBondContact O-CA 3.37Å; S362-M608 VanDerWaalsContact O-CB 3.31Å; S362-M608 WeakPolarHBondContact O-CB 3.09Å; V363-M608 HydrophobicContact CG2-CB 4.14Å; V363-M608 HydrophobicContact CG2-CE 4.24Å; T441-M608 HydrophobicContact CG2-CE 4.06Å; T441-M608 HydrophobicContact CG2-SD 3.51Å; T441-M608 VanDerWaalsContact CG2-SD 3.51Å; A444-M608 HydrophobicContact CB-SD 4.21Å; L445-M608 HydrophobicContact CD2-CE 3.71Å; L445-M608 HydrophobicContact CG-CE 4.37Å; L568-M608 CarbonylContact C-O 3.55Å; L568-M608 WeakPolarHBondContact CA-O 3.39Å; R569-M608 HydrophobicContact CB-CG 3.91Å; R569-M608 HydrophobicContact CG-CG 4.35Å; R569-M608 PolarHBondContact N-O 3.4Å; R569-M608 WeakPolarHBondContact O-CG 3.44Å; R569-M608 PolarHBondContact O-N 2.97Å; L571-M608 HydrophobicContact CD1-CE 3.77Å; L571-M608 HydrophobicContact CG-CE 4.44Å; V606-M608 HydrophobicContact CG2-CE 4.19Å
609L86.7Confident89.8Confident13 Ų1331 Ų317%0.06816%0.155CC..EExtended strand (participates in β ladder)trans-148.9156-173.8145.982.4000108S362 L568 P611 I644S362-L609 PolarHBondContact N-O 3.46Å; S362-L609 PolarHBondContact O-N 2.86Å; L568-L609 HydrophobicContact CD2-CB 3.58Å; L568-L609 HydrophobicContact CD2-CD2 4.26Å; L609-P611 HydrophobicContact CD2-CB 4.43Å; L609-P611 VanDerWaalsContact O-CD 3.25Å; L609-P611 WeakPolarHBondContact O-CD 3.43Å; L609-I644 HydrophobicContact CD1-CD1 4.38Å
610D81.7Confident89.8Confident14 Ų1426.2 Ų26.28%0.07513%0.13CC..  trans-85.898.4161.317824.5000109K352 T357 N359 Q360K352-D610 IonicContact NZ-OD2 3.65Å; K352-D610 PolarHBondContact NZ-OD2 3.06Å; K352-D610 VanDerWaalsContact NZ-OD2 3.1Å; T357-D610 WeakPolarHBondContact CB-OD1 3.4Å; T357-D610 WeakPolarHBondContact CB-OD2 3.19Å; T357-D610 PolarHBondContact OG1-OD2 3.31Å; N359-D610 WeakPolarHBondContact CA-OD1 3.32Å; N359-D610 PolarHBondContact N-OD1 3.49Å; Q360-D610 PolarHBondContact N-OD1 3.29Å
611P81.8Confident89.6Confident9 Ų928.5 Ų28.56%0.05815%0.148CC..PPolyproline II helixtrans-73.7146.7-165.630.2-33.9000111.5T357 T358 Q360 S387 L609T357-P611 VanDerWaalsContact CA-O 3.3Å; T357-P611 WeakPolarHBondContact CA-O 3.41Å; T357-P611 WeakPolarHBondContact CB-O 3.37Å; T358-P611 PolarHBondContact N-O 3.32Å; Q360-P611 VanDerWaalsContact O-CD 3.22Å; Q360-P611 WeakPolarHBondContact O-CD 3.49Å; S387-P611 VanDerWaalsContact CB-CG 3.47Å; S387-P611 WeakPolarHBondContact O-CG 3.21Å; L609-P611 HydrophobicContact CD2-CB 4.43Å; L609-P611 VanDerWaalsContact O-CD 3.25Å; L609-P611 WeakPolarHBondContact O-CD 3.43Å
612P81.6Confident89.4Confident29 Ų2932.4 Ų32.419%0.18816%0.163CC..BIsolated β-bridgetrans-65152.3171.428.8-33.5000110.9L356 I648L356-P612 WeakPolarHBondContact O-CA 3.33Å; P612-I648 HydrophobicContact CB-CG2 3.38Å; P612-I648 HydrophobicContact CG-CG2 4.12Å
613R79.3Confident89.3Confident36 Ų3632.4 Ų32.414%0.13616%0.163CC..PPolyproline II helixtrans-70.2139.7169.4-62.5174.4-174.6-98.73.2109.3G354 T355 L356 T357 T358 E615 V616 D747G354-R613 PolarHBondContact O-NH2 3.01Å; T355-R613 WeakPolarHBondContact O-CD 3.33Å; T355-R613 PolarHBondContact O-NE 2.84Å; T355-R613 VanDerWaalsContact O-NE 3.12Å; L356-R613 PolarHBondContact O-N 3.38Å; T357-R613 PolarHBondContact O-NE 3.27Å; T357-R613 VanDerWaalsContact O-NE 3.16Å; T358-R613 HydrophobicContact CG2-CG 4.04Å; R613-E615 VanDerWaalsContact C-N 3.31Å; R613-E615 HydrophobicContact CB-CG 4.49Å; R613-E615 PolarHBondContact O-N 2.86Å; R613-V616 HydrophobicContact CB-CG2 3.71Å; R613-V616 WeakPolarHBondContact O-CB 3.43Å; R613-V616 PolarHBondContact O-N 3.17Å; R613-D747 PolarHBondContact NE-O 2.87Å; R613-D747 PolarHBondContact NH1-O 3.06Å; R613-D747 PolarHBondContact NH2-O 3.28Å
614M76.2Confident89.1Confident158 Ų15838.4 Ų38.478%0.77819%0.186SC*.THydrogen-bonded Turntrans-65.1-38.7-171.7-68-175.168.800111.8V616M614-V616 VanDerWaalsContact C-N 3.26Å; M614-V616 PolarHBondContact O-N 3.36Å
615E83.1Confident88.9Confident69 Ų6944.7 Ų44.732%0.32221%0.213SC..Hα-helixtrans-71-14-17957.8-84.4-168.800114.7R613 F617 S619 N748R613-E615 VanDerWaalsContact C-N 3.31Å; R613-E615 HydrophobicContact CB-CG 4.49Å; R613-E615 PolarHBondContact O-N 2.86Å; E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 2.99Å; E615-S619 WeakPolarHBondContact O-CB 3.47Å; E615-S619 PolarHBondContact O-N 3.43Å; E615-S619 PolarHBondContact O-OG 2.93Å; E615-N748 WeakPolarHBondContact CG-OD1 3.37Å
616V88.6Confident88.6Confident0 Ų044.7 Ų44.70%021%0.213CC..Hα-helixtrans-66.7-36.2-179.9170.60000111.1L356 R613 M614 D618 S619 I620 I648 F749L356-V616 HydrophobicContact CD2-CG1 3.73Å; L356-V616 HydrophobicContact CD2-CG2 4.46Å; R613-V616 HydrophobicContact CB-CG2 3.71Å; R613-V616 WeakPolarHBondContact O-CB 3.43Å; R613-V616 PolarHBondContact O-N 3.17Å; M614-V616 VanDerWaalsContact C-N 3.26Å; M614-V616 PolarHBondContact O-N 3.36Å; V616-D618 PolarHBondContact O-N 3.29Å; V616-S619 WeakPolarHBondContact O-CB 3.46Å; V616-S619 PolarHBondContact O-N 3.25Å; V616-I620 HydrophobicContact CG1-CD1 3.62Å; V616-I620 HydrophobicContact CG1-CG1 4.11Å; V616-I620 WeakPolarHBondContact O-CG1 3.3Å; V616-I620 PolarHBondContact O-N 3.44Å; V616-I648 HydrophobicContact CG1-CB 3.97Å; V616-I648 HydrophobicContact CG1-CD1 4.21Å; V616-I648 HydrophobicContact CG1-CG2 4.16Å; V616-F749 HydrophobicContact CG2-CB 3.85Å; V616-F749 HydrophobicContact CG2-CG 4.48Å
617F89Confident88.4Confident104 Ų10446.7 Ų46.746%0.45623%0.233SC..Hα-helixtrans-59.8-50.8-179-174.9-88000111.8E615 S619 I620 A621 R647E615-F617 VanDerWaalsContact C-N 3.33Å; E615-F617 PolarHBondContact O-N 2.99Å; F617-S619 VanDerWaalsContact C-N 3.29Å; F617-S619 PolarHBondContact O-N 3.37Å; F617-I620 PolarHBondContact O-N 3.4Å; F617-A621 PolarHBondContact O-N 2.84Å; F617-A621 VanDerWaalsContact O-N 3.08Å; F617-R647 WeakPolarHBondContact CD2-O 3.11Å
618D91.6Very high88.5Confident110 Ų11047 Ų4759%0.58824%0.235SC*.Hα-helixtrans-65.1-36.3178.6-67.2-23.3000111.5V616 A621 R622V616-D618 PolarHBondContact O-N 3.29Å; D618-A621 WeakPolarHBondContact O-CB 3.49Å; D618-A621 PolarHBondContact O-N 3.17Å; D618-R622 WeakPolarHBondContact O-CG 3.3Å; D618-R622 PolarHBondContact O-N 2.7Å
619S93Very high88.7Confident1 Ų149.3 Ų49.31%0.00724%0.244CC..Hα-helixtrans-64.6-43.1177.4-57.70000112.1E615 V616 F617 A621 R622 C623 N750E615-S619 WeakPolarHBondContact O-CB 3.47Å; E615-S619 PolarHBondContact O-N 3.43Å; E615-S619 PolarHBondContact O-OG 2.93Å; V616-S619 WeakPolarHBondContact O-CB 3.46Å; V616-S619 PolarHBondContact O-N 3.25Å; F617-S619 VanDerWaalsContact C-N 3.29Å; F617-S619 PolarHBondContact O-N 3.37Å; S619-A621 VanDerWaalsContact C-N 3.32Å; S619-A621 PolarHBondContact O-N 3Å; S619-R622 PolarHBondContact O-N 3.21Å; S619-C623 PolarHBondContact O-N 3.44Å; S619-C623 PolarHBondContact O-SG 3.44Å; S619-C623 VanDerWaalsContact O-SG 3.37Å; S619-N750 WeakPolarHBondContact OG-CA 3.36Å; S619-N750 WeakPolarHBondContact OG-CB 3.48Å
620I93.4Very high89.1Confident5 Ų549.2 Ų49.23%0.02624%0.244CC..Hα-helixtrans-65.7-37176.3-69.9178.5000110.9V616 F617 C623 R624 V630 I648 I650 F749V616-I620 HydrophobicContact CG1-CD1 3.62Å; V616-I620 HydrophobicContact CG1-CG1 4.11Å; V616-I620 WeakPolarHBondContact O-CG1 3.3Å; V616-I620 PolarHBondContact O-N 3.44Å; F617-I620 PolarHBondContact O-N 3.4Å; I620-C623 PolarHBondContact O-N 3.41Å; I620-R624 PolarHBondContact O-N 3.28Å; I620-V630 HydrophobicContact CG1-CG2 4.5Å; I620-I648 HydrophobicContact CD1-CB 4.02Å; I620-I648 HydrophobicContact CD1-CD1 3.68Å; I620-I648 HydrophobicContact CD1-CG1 3.71Å; I620-I648 WeakPolarHBondContact CD1-O 3.39Å; I620-I650 HydrophobicContact CD1-CD1 4.27Å; I620-I650 HydrophobicContact CD1-CG1 3.74Å; I620-I650 HydrophobicContact CG2-CG1 4.42Å; I620-F749 HydrophobicContact CG1-CE1 4.23Å
621A92.1Very high89.8Confident48 Ų4848.6 Ų48.640%0.39724%0.24SC..Hα-helixtrans-62.9-42.217300000112F617 D618 S619 R624 K625F617-A621 PolarHBondContact O-N 2.84Å; F617-A621 VanDerWaalsContact O-N 3.08Å; D618-A621 WeakPolarHBondContact O-CB 3.49Å; D618-A621 PolarHBondContact O-N 3.17Å; S619-A621 VanDerWaalsContact C-N 3.32Å; S619-A621 PolarHBondContact O-N 3Å; A621-R624 PolarHBondContact O-N 3.31Å; A621-K625 PolarHBondContact O-N 3.17Å
622R92.2Very high90.4Very high81 Ų8148.1 Ų48.131%0.30624%0.238SC..Hα-helixtrans-62.4-45.6173.9-72.9-176.374.4-163.32.1112D618 S619 R624 K625 S626 V753 E757D618-R622 WeakPolarHBondContact O-CG 3.3Å; D618-R622 PolarHBondContact O-N 2.7Å; S619-R622 PolarHBondContact O-N 3.21Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R622-R624 PolarHBondContact O-N 3.24Å; R622-K625 PolarHBondContact O-N 3Å; R622-K625 VanDerWaalsContact O-N 3.15Å; R622-S626 PolarHBondContact O-N 3.27Å; R622-S626 PolarHBondContact O-OG 2.83Å; R622-V753 HydrophobicContact CB-CG1 4.02Å; R622-E757 IonicContact CZ-OE2 3.78Å; R622-E757 IonicContact NH2-OE2 3.9Å; R622-E757 PolarHBondContact NH2-OE2 2.81Å
623C94.3Very high90.9Very high1 Ų146.8 Ų46.81%0.00723%0.229CC..Hα-helixtrans-55.5-46.4174.6-71.10000111.5S619 I620 K625 S626 G627 I628 V630S619-C623 PolarHBondContact O-N 3.44Å; S619-C623 PolarHBondContact O-SG 3.44Å; S619-C623 VanDerWaalsContact O-SG 3.37Å; I620-C623 PolarHBondContact O-N 3.41Å; C623-K625 VanDerWaalsContact C-N 3.33Å; C623-K625 PolarHBondContact O-N 2.84Å; C623-S626 WeakPolarHBondContact CA-OG 3.49Å; C623-S626 CarbonylContact O-C 3.6Å; C623-S626 PolarHBondContact O-N 2.86Å; C623-S626 PolarHBondContact O-OG 3.33Å; C623-G627 PolarHBondContact O-N 3.46Å; C623-I628 CarbonylContact C-O 3.6Å; C623-I628 HydrophobicContact CB-CB 4.06Å; C623-I628 HydrophobicContact CB-CG2 4.42Å; C623-I628 WeakPolarHBondContact O-CA 3.33Å; C623-I628 PolarHBondContact O-N 3.08Å; C623-V630 HydrophobicContact CB-CG2 3.89Å
624R91.6Very high91.2Very high128 Ų12845 Ų4548%0.48322%0.222SC..Hα-helixtrans-61.6-41.6177.9-174.1179.2-68.71481.8111.9I620 A621 R622 S626 G627 G649 I650I620-R624 PolarHBondContact O-N 3.28Å; A621-R624 PolarHBondContact O-N 3.31Å; R622-R624 VanDerWaalsContact C-N 3.31Å; R622-R624 PolarHBondContact O-N 3.24Å; R624-S626 VanDerWaalsContact C-N 3.3Å; R624-S626 PolarHBondContact O-N 3.46Å; R624-G627 PolarHBondContact O-N 3.23Å; R624-G649 PolarHBondContact NH2-O 3.5Å; R624-I650 PolarHBondContact NH2-O 3.11Å
625K91Very high91.2Very high132 Ų13237.9 Ų37.957%0.57419%0.188SC*.Hα-helixtrans-64.4-34.7176.9-167.2-178.1177.3-167.50112.1A621 R622 C623 G627 E827A621-K625 PolarHBondContact O-N 3.17Å; R622-K625 PolarHBondContact O-N 3Å; R622-K625 VanDerWaalsContact O-N 3.15Å; C623-K625 VanDerWaalsContact C-N 3.33Å; C623-K625 PolarHBondContact O-N 2.84Å; K625-G627 VanDerWaalsContact C-N 3.27Å; K625-G627 PolarHBondContact O-N 2.92Å; K625-E827 WeakPolarHBondContact CE-OE1 3.31Å; K625-E827 IonicContact NZ-OE1 3.66Å; K625-E827 PolarHBondContact NZ-OE1 3.45Å
626S90.9Very high90.8Very high0 Ų036.1 Ų36.10%018%0.182CC..THydrogen-bonded Turntrans-86.410.6178.4680000114.3R622 C623 R624 I628 R760 M826 R828 P830R622-S626 PolarHBondContact O-N 3.27Å; R622-S626 PolarHBondContact O-OG 2.83Å; C623-S626 WeakPolarHBondContact CA-OG 3.49Å; C623-S626 CarbonylContact O-C 3.6Å; C623-S626 PolarHBondContact O-N 2.86Å; C623-S626 PolarHBondContact O-OG 3.33Å; R624-S626 VanDerWaalsContact C-N 3.3Å; R624-S626 PolarHBondContact O-N 3.46Å; S626-I628 VanDerWaalsContact C-N 3.32Å; S626-I628 PolarHBondContact O-N 3.13Å; S626-I628 VanDerWaalsContact OG-CD1 3.31Å; S626-I628 WeakPolarHBondContact OG-CD1 3.31Å; S626-I628 WeakPolarHBondContact OG-CG1 3.45Å; S626-R760 PolarHBondContact O-NH2 3.39Å; S626-M826 VanDerWaalsContact CA-O 3.22Å; S626-M826 WeakPolarHBondContact CA-O 3.18Å; S626-M826 WeakPolarHBondContact CB-O 3.48Å; S626-M826 PolarHBondContact N-O 3.28Å; S626-R828 VanDerWaalsContact O-O 3.12Å; S626-P830 WeakPolarHBondContact O-CD 3.18Å
627G93.2Very high90.3Very high42 Ų4238.8 Ų38.843%0.43320%0.196SC..THydrogen-bonded Turntrans72.317.518000000115.1C623 R624 K625 P830C623-G627 PolarHBondContact O-N 3.46Å; R624-G627 PolarHBondContact O-N 3.23Å; K625-G627 VanDerWaalsContact C-N 3.27Å; K625-G627 PolarHBondContact O-N 2.92Å; G627-P830 WeakPolarHBondContact O-CD 3.45Å
628I95.6Very high90Very high7 Ų736.4 Ų36.44%0.03619%0.185CC..  trans-95.7125-179.2-55.8174.2000109.7T345 S346 I348 C623 S626 V756 P830T345-I628 WeakPolarHBondContact O-CG1 3.1Å; S346-I628 WeakPolarHBondContact O-CA 3.45Å; I348-I628 HydrophobicContact CD1-CG2 3.81Å; I348-I628 HydrophobicContact CG1-CG2 3.8Å; C623-I628 CarbonylContact C-O 3.6Å; C623-I628 HydrophobicContact CB-CB 4.06Å; C623-I628 HydrophobicContact CB-CG2 4.42Å; C623-I628 WeakPolarHBondContact O-CA 3.33Å; C623-I628 PolarHBondContact O-N 3.08Å; S626-I628 VanDerWaalsContact C-N 3.32Å; S626-I628 PolarHBondContact O-N 3.13Å; S626-I628 VanDerWaalsContact OG-CD1 3.31Å; S626-I628 WeakPolarHBondContact OG-CD1 3.31Å; S626-I628 WeakPolarHBondContact OG-CG1 3.45Å; I628-V756 HydrophobicContact CD1-CG1 3.74Å; I628-P830 HydrophobicContact CG1-CG 4.14Å
629R95.3Very high89.5Confident49 Ų4933.7 Ų33.719%0.18518%0.178CC..EExtended strand (participates in β ladder)trans-84.9134.8177.1-177.8163.860.7120.7-8.4110.4S346 V347 I348 I631 C679 R680 A682 L700 E705S346-R629 PolarHBondContact O-N 3.31Å; V347-R629 CarbonylContact C-O 3.59Å; V347-R629 VanDerWaalsContact CA-O 3.29Å; V347-R629 WeakPolarHBondContact CA-O 3.36Å; V347-R629 HydrophobicContact CG2-CB 4.33Å; I348-R629 PolarHBondContact N-O 2.92Å; R629-I631 HydrophobicContact CG-CG1 4.37Å; R629-C679 PolarHBondContact NH1-O 2.77Å; R629-C679 PolarHBondContact NH2-O 3.29Å; R629-R680 VanDerWaalsContact CZ-O 3.25Å; R629-R680 VanDerWaalsContact NH1-C 3.3Å; R629-R680 PolarHBondContact NH1-O 2.83Å; R629-A682 PolarHBondContact NH1-O 3.42Å; R629-L700 VanDerWaalsContact NH2-CD2 3.32Å; R629-E705 IonicContact NH2-OE1 4Å
630V96Very high88.8Confident11 Ų1134.6 Ų34.67%0.06718%0.183CC..EExtended strand (participates in β ladder)trans-110127.8175.7-175.90000109.4I348 I620 C623 I650 F749I348-V630 CarbonylContact O-C 3.51Å; I348-V630 WeakPolarHBondContact O-CA 3.45Å; I620-V630 HydrophobicContact CG1-CG2 4.5Å; C623-V630 HydrophobicContact CB-CG2 3.89Å; V630-I650 HydrophobicContact CG1-CD1 4.05Å; V630-I650 HydrophobicContact CG1-CG1 4.4Å; V630-F749 HydrophobicContact CG1-CZ 4.33Å; V630-F749 HydrophobicContact CG2-CZ 4.45Å
631I96.5Very high88.4Confident0 Ų034.3 Ų34.30%018%0.182CC..EExtended strand (participates in β ladder)trans-118.8119.5177.9-53.5-178.4000108V347 I348 C349 S350 R629 I633 R683 F685 L700V347-I631 HydrophobicContact CG1-CD1 3.6Å; V347-I631 HydrophobicContact CG1-CG1 3.9Å; I348-I631 PolarHBondContact O-N 3.25Å; C349-I631 CarbonylContact C-O 3.5Å; C349-I631 WeakPolarHBondContact CA-O 3.16Å; S350-I631 PolarHBondContact N-O 3.07Å; R629-I631 HydrophobicContact CG-CG1 4.37Å; I631-I633 HydrophobicContact CG2-CG1 4.25Å; I631-R683 WeakPolarHBondContact CA-O 3.49Å; I631-F685 HydrophobicContact CG2-CD2 3.76Å; I631-F685 HydrophobicContact CG2-CE2 3.97Å; I631-L700 HydrophobicContact CD1-CD1 4.33Å
632M94.4Very high88.2Confident0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-81.3133.3171.2-176.4-174.8-69.700109.9S350 K352 L356 T634 I644 C645 I648 I650 R683 L684 F685S350-M632 WeakPolarHBondContact O-CA 3.43Å; K352-M632 HydrophobicContact CB-CG 4.23Å; K352-M632 HydrophobicContact CB-SD 4.07Å; K352-M632 HydrophobicContact CG-SD 4.16Å; L356-M632 HydrophobicContact CD1-CB 4.36Å; L356-M632 HydrophobicContact CD1-CE 3.54Å; L356-M632 HydrophobicContact CD1-CG 4Å; M632-T634 HydrophobicContact SD-CG2 4.5Å; M632-I644 HydrophobicContact CE-CB 4.29Å; M632-I644 HydrophobicContact CE-CG2 3.67Å; M632-C645 VanDerWaalsContact CE-SG 3.57Å; M632-I648 HydrophobicContact CE-CD1 3.39Å; M632-I648 HydrophobicContact CE-CG1 4.44Å; M632-I650 HydrophobicContact CB-CD1 3.84Å; M632-I650 HydrophobicContact CE-CD1 4.23Å; M632-R683 PolarHBondContact N-O 3.46Å; M632-L684 HydrophobicContact CB-CD1 4.01Å; M632-L684 HydrophobicContact CG-CD1 4.1Å; M632-L684 CarbonylContact O-C 3.57Å; M632-L684 VanDerWaalsContact O-CA 3.32Å; M632-L684 WeakPolarHBondContact O-CA 3.46Å; M632-L684 HydrophobicContact SD-CD1 4.05Å; M632-F685 PolarHBondContact O-N 2.98Å
633I92.2Very high87.8Confident0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-124.1124.4175.8-58.5-174000106.9C349 S350 D351 K352 I631 F685 V688 K693 I696 M709C349-I633 HydrophobicContact CB-CD1 3.75Å; S350-I633 PolarHBondContact O-N 3.22Å; D351-I633 VanDerWaalsContact CA-O 3.32Å; D351-I633 WeakPolarHBondContact CA-O 3.48Å; K352-I633 PolarHBondContact N-O 2.92Å; I631-I633 HydrophobicContact CG2-CG1 4.25Å; I633-F685 CarbonylContact C-O 3.56Å; I633-F685 WeakPolarHBondContact CA-O 3.09Å; I633-F685 HydrophobicContact CG1-CB 4.5Å; I633-F685 HydrophobicContact CG1-CD2 4.45Å; I633-V688 HydrophobicContact CG2-CB 4.38Å; I633-V688 HydrophobicContact CG2-CG2 3.59Å; I633-K693 HydrophobicContact CG2-CD 4.08Å; I633-K693 HydrophobicContact CG2-CG 3.82Å; I633-I696 HydrophobicContact CD1-CD1 4Å; I633-I696 HydrophobicContact CD1-CG2 4.23Å; I633-M709 HydrophobicContact CD1-CE 4.34Å; I633-M709 HydrophobicContact CD1-SD 4.19Å
634T85.6Confident87.4Confident0 Ų030.5 Ų30.50%016%0.161CC..  trans-150.3148.4-173.5-173.90000114.4K352 M632 D636 A641 L684 F685 A686 R687 V688K352-T634 WeakPolarHBondContact CB-OG1 3.37Å; M632-T634 HydrophobicContact SD-CG2 4.5Å; T634-D636 HydrophobicContact CG2-CB 4.03Å; T634-D636 PolarHBondContact O-N 3.07Å; T634-D636 PolarHBondContact OG1-N 2.88Å; T634-D636 VanDerWaalsContact OG1-N 3.15Å; T634-A641 HydrophobicContact CG2-CB 3.56Å; T634-L684 HydrophobicContact CG2-CD1 4.3Å; T634-F685 PolarHBondContact N-O 2.82Å; T634-A686 HydrophobicContact CG2-CB 4.38Å; T634-A686 CarbonylContact O-C 3.53Å; T634-A686 VanDerWaalsContact O-C 3.28Å; T634-A686 WeakPolarHBondContact O-CA 3.36Å; T634-R687 PolarHBondContact O-N 2.76Å; T634-V688 WeakPolarHBondContact O-CG2 3.3Å; T634-V688 PolarHBondContact O-N 3.25Å
635G75.8Confident87.3Confident7 Ų724.4 Ų24.47%0.07214%0.138CC..SBendtrans-72.3-10.2168.700000114.1Q202 R687Q202-G635 PolarHBondContact NE2-O 2.96Å; Q202-G635 PolarHBondContact OE1-O 2.87Å; G635-R687 WeakPolarHBondContact O-CD 3.22Å
636D74.8Confident87.2Confident33 Ų3321.1 Ų21.118%0.17612%0.122CC..SBendtrans-68.4165.4-178.7-105.9-31.7000112.8K352 T634 R687K352-D636 WeakPolarHBondContact CD-OD2 3.47Å; K352-D636 WeakPolarHBondContact CE-OD2 3.13Å; K352-D636 IonicContact NZ-OD2 2.75Å; K352-D636 PolarHBondContact NZ-OD2 3.12Å; T634-D636 HydrophobicContact CG2-CB 4.03Å; T634-D636 PolarHBondContact O-N 3.07Å; T634-D636 PolarHBondContact OG1-N 2.88Å; T634-D636 VanDerWaalsContact OG1-N 3.15Å; D636-R687 WeakPolarHBondContact O-CG 3.41Å; D636-R687 PolarHBondContact O-N 3.43Å
637N77Confident86.9Confident56 Ų5624.2 Ų24.230%0.29913%0.134SC..  trans-67.5153.4173.279.161.3000111.3A639 T640 A641N637-A639 VanDerWaalsContact C-N 3.33Å; N637-A639 PolarHBondContact O-N 3.14Å; N637-A639 PolarHBondContact OD1-N 3.23Å; N637-A639 VanDerWaalsContact OD1-N 3.07Å; N637-T640 PolarHBondContact ND2-OG1 3.15Å; N637-T640 PolarHBondContact O-N 3.02Å; N637-T640 WeakPolarHBondContact OD1-CB 3.46Å; N637-T640 PolarHBondContact OD1-N 3.42Å; N637-T640 PolarHBondContact OD1-OG1 3.1Å; N637-A641 WeakPolarHBondContact O-CB 3.22Å; N637-A641 PolarHBondContact O-N 2.98Å
638K83.9Confident86.7Confident54 Ų5422.3 Ų22.324%0.23511%0.114CC..Hα-helixtrans-56.7-42.9-175.4-166.5-179.6-170.3162.90113.4A641 E642 S661 T663 E666 A686K638-A641 PolarHBondContact O-N 2.65Å; K638-E642 WeakPolarHBondContact O-CB 3.3Å; K638-E642 WeakPolarHBondContact O-CG 3.33Å; K638-E642 PolarHBondContact O-N 2.95Å; K638-S661 WeakPolarHBondContact CE-O 3.43Å; K638-S661 WeakPolarHBondContact CE-OG 3.32Å; K638-S661 PolarHBondContact NZ-O 3.4Å; K638-T663 HydrophobicContact CB-CG2 3.88Å; K638-T663 HydrophobicContact CD-CG2 3.99Å; K638-T663 HydrophobicContact CG-CG2 4.24Å; K638-E666 VanDerWaalsContact NZ-CD 3.34Å; K638-E666 IonicContact NZ-OE1 2.69Å; K638-E666 PolarHBondContact NZ-OE1 2.88Å; K638-E666 VanDerWaalsContact NZ-OE1 3.12Å; K638-E666 IonicContact NZ-OE2 3.1Å; K638-E666 PolarHBondContact NZ-OE2 3.5Å; K638-A686 HydrophobicContact CB-CB 4.16Å; K638-A686 HydrophobicContact CG-CB 4.46Å
639A81.5Confident86.5Confident52 Ų5222.5 Ų22.543%0.4312%0.117SC..Hα-helixtrans-66.5-46.7-176.700000112.1N637 A641 E642 A643N637-A639 VanDerWaalsContact C-N 3.33Å; N637-A639 PolarHBondContact O-N 3.14Å; N637-A639 PolarHBondContact OD1-N 3.23Å; N637-A639 VanDerWaalsContact OD1-N 3.07Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 3.43Å; A639-E642 PolarHBondContact O-N 3.21Å; A639-A643 PolarHBondContact O-N 2.72Å
640T78.2Confident86.4Confident20 Ų2020.3 Ų20.312%0.12311%0.109CC..Hα-helixtrans-60.6-44.7175.1-60.80000110.8N637 E642 A643 I644N637-T640 PolarHBondContact ND2-OG1 3.15Å; N637-T640 PolarHBondContact O-N 3.02Å; N637-T640 WeakPolarHBondContact OD1-CB 3.46Å; N637-T640 PolarHBondContact OD1-N 3.42Å; N637-T640 PolarHBondContact OD1-OG1 3.1Å; T640-E642 PolarHBondContact O-N 2.66Å; T640-A643 PolarHBondContact O-N 3.15Å; T640-I644 HydrophobicContact CG2-CD1 4.13Å; T640-I644 WeakPolarHBondContact O-CG1 3.45Å; T640-I644 PolarHBondContact O-N 3.34Å
641A84.5Confident86.2Confident0 Ų019.9 Ų19.90%011%0.106CC..Hα-helixtrans-64-41.617900000112.3T634 N637 K638 A639 A643 I644 C645 L684 A686T634-A641 HydrophobicContact CG2-CB 3.56Å; N637-A641 WeakPolarHBondContact O-CB 3.22Å; N637-A641 PolarHBondContact O-N 2.98Å; K638-A641 PolarHBondContact O-N 2.65Å; A639-A641 VanDerWaalsContact C-N 3.33Å; A639-A641 PolarHBondContact O-N 3.43Å; A641-A643 PolarHBondContact O-N 3.42Å; A641-I644 PolarHBondContact O-N 3.39Å; A641-C645 WeakPolarHBondContact O-CB 3.38Å; A641-C645 PolarHBondContact O-N 3.37Å; A641-C645 PolarHBondContact O-SG 2.92Å; A641-C645 VanDerWaalsContact O-SG 3.42Å; A641-L684 HydrophobicContact CB-CD1 3.63Å; A641-L684 HydrophobicContact CB-CD2 3.83Å; A641-L684 HydrophobicContact CB-CG 4.3Å; A641-A686 HydrophobicContact CB-CB 4.13Å
642E88.1Confident85.9Confident37 Ų3723.1 Ų23.117%0.17313%0.129CC..Hα-helixtrans-61.5-41.8174.9-77-177.8178.100112.4K638 A639 T640 C645 R646 T657 S661 L684K638-E642 WeakPolarHBondContact O-CB 3.3Å; K638-E642 WeakPolarHBondContact O-CG 3.33Å; K638-E642 PolarHBondContact O-N 2.95Å; A639-E642 PolarHBondContact O-N 3.21Å; T640-E642 PolarHBondContact O-N 2.66Å; E642-C645 PolarHBondContact O-N 3.4Å; E642-R646 WeakPolarHBondContact O-CG 3.29Å; E642-R646 PolarHBondContact O-N 2.77Å; E642-T657 HydrophobicContact CG-CG2 4.16Å; E642-T657 WeakPolarHBondContact OE1-CB 3.32Å; E642-T657 PolarHBondContact OE1-OG1 3.39Å; E642-T657 VanDerWaalsContact OE1-OG1 3.14Å; E642-T657 PolarHBondContact OE2-OG1 3.15Å; E642-S661 WeakPolarHBondContact OE1-CB 3.33Å; E642-S661 PolarHBondContact OE1-OG 3.17Å; E642-L684 HydrophobicContact CB-CD2 4.23Å; E642-L684 HydrophobicContact CG-CD2 3.47Å; E642-L684 VanDerWaalsContact CG-CD2 3.47Å
643A83.6Confident85.3Confident11 Ų1128.3 Ų28.39%0.09115%0.153CC..Hα-helixtrans-65-39.9177.900000112.5T567 A639 T640 A641 R646 R647T567-A643 HydrophobicContact CG2-CB 3.41Å; T567-A643 VanDerWaalsContact CG2-CB 3.41Å; T567-A643 VanDerWaalsContact OG1-CB 3.29Å; T567-A643 WeakPolarHBondContact OG1-CB 3.45Å; A639-A643 PolarHBondContact O-N 2.72Å; T640-A643 PolarHBondContact O-N 3.15Å; A641-A643 PolarHBondContact O-N 3.42Å; A643-R646 PolarHBondContact O-N 3.16Å; A643-R647 PolarHBondContact O-N 2.89Å; A643-R647 VanDerWaalsContact O-N 3.1Å
644I85Confident85Confident1 Ų135.8 Ų35.81%0.00519%0.193CC..Hα-helixtrans-65.9-45.6174.4-63.6173.6000110.1K352 L609 M632 T640 A641 R646 R647 I648K352-I644 HydrophobicContact CD-CD1 3.58Å; K352-I644 HydrophobicContact CG-CD1 4.23Å; L609-I644 HydrophobicContact CD1-CD1 4.38Å; M632-I644 HydrophobicContact CE-CB 4.29Å; M632-I644 HydrophobicContact CE-CG2 3.67Å; T640-I644 HydrophobicContact CG2-CD1 4.13Å; T640-I644 WeakPolarHBondContact O-CG1 3.45Å; T640-I644 PolarHBondContact O-N 3.34Å; A641-I644 PolarHBondContact O-N 3.39Å; I644-R646 VanDerWaalsContact C-N 3.25Å; I644-R646 PolarHBondContact O-N 2.89Å; I644-R647 PolarHBondContact O-N 2.82Å; I644-I648 HydrophobicContact CG2-CG2 4.37Å; I644-I648 WeakPolarHBondContact O-CG1 3.12Å; I644-I648 PolarHBondContact O-N 2.88Å
645C90.3Very high85.1Confident0 Ų037.1 Ų37.10%020%0.2CC..Hα-helixtrans-55.2-38.7175.8-79.30000112.9M632 A641 E642 G649 I650 F651M632-C645 VanDerWaalsContact CE-SG 3.57Å; A641-C645 WeakPolarHBondContact O-CB 3.38Å; A641-C645 PolarHBondContact O-N 3.37Å; A641-C645 PolarHBondContact O-SG 2.92Å; A641-C645 VanDerWaalsContact O-SG 3.42Å; E642-C645 PolarHBondContact O-N 3.4Å; C645-G649 PolarHBondContact O-N 3.4Å; C645-I650 HydrophobicContact CB-CB 4.03Å; C645-I650 HydrophobicContact CB-CG2 4.33Å; C645-I650 PolarHBondContact O-N 3.48Å; C645-F651 HydrophobicContact CB-CD2 3.45Å; C645-F651 VanDerWaalsContact CB-CD2 3.45Å; C645-F651 HydrophobicContact CB-CE2 3.9Å; C645-F651 HydrophobicContact CB-CG 4.4Å; C645-F651 PolarHBondContact O-N 3.12Å
646R88.7Confident85.7Confident64 Ų6441.2 Ų41.224%0.24223%0.225CC..Hα-helixtrans-66.7-42.9174.2-70.4179.1-166.9-73.4-3112E642 A643 I644 I648 G649 F651 S652 E653 E655E642-R646 WeakPolarHBondContact O-CG 3.29Å; E642-R646 PolarHBondContact O-N 2.77Å; A643-R646 PolarHBondContact O-N 3.16Å; I644-R646 VanDerWaalsContact C-N 3.25Å; I644-R646 PolarHBondContact O-N 2.89Å; R646-I648 PolarHBondContact O-N 2.84Å; R646-G649 PolarHBondContact O-N 3.02Å; R646-F651 WeakPolarHBondContact CA-O 3.26Å; R646-F651 HydrophobicContact CG-CB 4.01Å; R646-S652 PolarHBondContact NH1-O 2.7Å; R646-E653 PolarHBondContact NH1-O 3.38Å; R646-E655 PolarHBondContact NH1-O 2.65Å; R646-E655 PolarHBondContact NH2-O 3.34Å
647R85Confident86.4Confident65 Ų6540.5 Ų40.525%0.24522%0.222CC..Hα-helixtrans-65.7-36.3-179.8-82.3176.3168169.2-10.1113.8D566 F617 A643 I644D566-R647 VanDerWaalsContact CA-NH2 3.35Å; D566-R647 PolarHBondContact O-NH1 3.2Å; D566-R647 IonicContact OD1-CZ 2.68Å; D566-R647 IonicContact OD1-NH2 3.63Å; D566-R647 PolarHBondContact OD1-NH2 3.48Å; F617-R647 WeakPolarHBondContact CD2-O 3.11Å; A643-R647 PolarHBondContact O-N 2.89Å; A643-R647 VanDerWaalsContact O-N 3.1Å; I644-R647 PolarHBondContact O-N 2.82Å
648I89.5Confident86.9Confident2 Ų244.1 Ų44.11%0.0125%0.246CC..THydrogen-bonded Turntrans-91-1.9179.570.3178.7000113L356 P612 V616 I620 M632 I644 R646 I650L356-I648 HydrophobicContact CB-CD1 4.46Å; L356-I648 HydrophobicContact CD1-CD1 3.89Å; L356-I648 HydrophobicContact CD2-CD1 4.43Å; P612-I648 HydrophobicContact CB-CG2 3.38Å; P612-I648 HydrophobicContact CG-CG2 4.12Å; V616-I648 HydrophobicContact CG1-CB 3.97Å; V616-I648 HydrophobicContact CG1-CD1 4.21Å; V616-I648 HydrophobicContact CG1-CG2 4.16Å; I620-I648 HydrophobicContact CD1-CB 4.02Å; I620-I648 HydrophobicContact CD1-CD1 3.68Å; I620-I648 HydrophobicContact CD1-CG1 3.71Å; I620-I648 WeakPolarHBondContact CD1-O 3.39Å; M632-I648 HydrophobicContact CE-CD1 3.39Å; M632-I648 HydrophobicContact CE-CG1 4.44Å; I644-I648 HydrophobicContact CG2-CG2 4.37Å; I644-I648 WeakPolarHBondContact O-CG1 3.12Å; I644-I648 PolarHBondContact O-N 2.88Å; R646-I648 PolarHBondContact O-N 2.84Å; I648-I650 HydrophobicContact CD1-CD1 3.75Å; I648-I650 HydrophobicContact CD1-CG1 4.03Å; I648-I650 HydrophobicContact CG1-CD1 4.25Å; I648-I650 HydrophobicContact CG1-CG1 4Å
649G90.6Very high87.2Confident11 Ų1142.2 Ų42.211%0.11324%0.242CC..THydrogen-bonded Turntrans86.911.2173.500000116R624 C645 R646 F651R624-G649 PolarHBondContact NH2-O 3.5Å; C645-G649 PolarHBondContact O-N 3.4Å; R646-G649 PolarHBondContact O-N 3.02Å; G649-F651 VanDerWaalsContact C-N 3.34Å
650I93.2Very high87.7Confident3 Ų342.6 Ų42.62%0.01523%0.234CC..SBendtrans-63.2-44.4170.2-69-178000110.4I620 R624 V630 M632 C645 I648 R683I620-I650 HydrophobicContact CD1-CD1 4.27Å; I620-I650 HydrophobicContact CD1-CG1 3.74Å; I620-I650 HydrophobicContact CG2-CG1 4.42Å; R624-I650 PolarHBondContact NH2-O 3.11Å; V630-I650 HydrophobicContact CG1-CD1 4.05Å; V630-I650 HydrophobicContact CG1-CG1 4.4Å; M632-I650 HydrophobicContact CB-CD1 3.84Å; M632-I650 HydrophobicContact CE-CD1 4.23Å; C645-I650 HydrophobicContact CB-CB 4.03Å; C645-I650 HydrophobicContact CB-CG2 4.33Å; C645-I650 PolarHBondContact O-N 3.48Å; I648-I650 HydrophobicContact CD1-CD1 3.75Å; I648-I650 HydrophobicContact CD1-CG1 4.03Å; I648-I650 HydrophobicContact CG1-CD1 4.25Å; I648-I650 HydrophobicContact CG1-CG1 4Å; I650-R683 HydrophobicContact CG2-CB 3.56Å; I650-R683 HydrophobicContact CG2-CG 4.41Å; I650-R683 PolarHBondContact O-NH1 2.89Å
651F92.4Very high88.5Confident1 Ų141.8 Ų41.80%0.00423%0.229CC..SBendtrans-108.1145167.9-64.6-53.6000109.4C645 R646 G649 E655 T657 K660 R683 L684C645-F651 HydrophobicContact CB-CD2 3.45Å; C645-F651 VanDerWaalsContact CB-CD2 3.45Å; C645-F651 HydrophobicContact CB-CE2 3.9Å; C645-F651 HydrophobicContact CB-CG 4.4Å; C645-F651 PolarHBondContact O-N 3.12Å; R646-F651 WeakPolarHBondContact CA-O 3.26Å; R646-F651 HydrophobicContact CG-CB 4.01Å; G649-F651 VanDerWaalsContact C-N 3.34Å; F651-E655 WeakPolarHBondContact CA-OE2 3.41Å; F651-T657 HydrophobicContact CD1-CG2 4.48Å; F651-T657 HydrophobicContact CD2-CG2 3.82Å; F651-T657 HydrophobicContact CE1-CG2 4.47Å; F651-T657 HydrophobicContact CE2-CG2 3.82Å; F651-T657 HydrophobicContact CG-CG2 4.18Å; F651-T657 HydrophobicContact CZ-CG2 4.17Å; F651-K660 HydrophobicContact CE1-CB 3.82Å; F651-K660 HydrophobicContact CE1-CD 4.16Å; F651-K660 HydrophobicContact CZ-CB 4.04Å; F651-R683 HydrophobicContact CE1-CB 3.81Å; F651-R683 HydrophobicContact CE1-CG 4.19Å; F651-R683 HydrophobicContact CZ-CB 3.84Å; F651-L684 HydrophobicContact CE2-CB 3.91Å; F651-L684 HydrophobicContact CE2-CD2 4.26Å; F651-L684 HydrophobicContact CZ-CB 4.12Å
652S88.5Confident89Confident69 Ų6942.6 Ų42.648%0.48323%0.233SC..  trans-69.5158.9166.4-54.50000110.5R646 D654 E655R646-S652 PolarHBondContact NH1-O 2.7Å; S652-D654 PolarHBondContact O-N 3.44Å; S652-D654 VanDerWaalsContact O-N 3.13Å; S652-E655 PolarHBondContact N-OE2 2.95Å; S652-E655 VanDerWaalsContact N-OE2 3.15Å; S652-E655 PolarHBondContact O-N 3.41Å; S652-E655 VanDerWaalsContact O-N 3.12Å
653E82.9Confident89Confident108 Ų10842 Ų4251%0.50523%0.232SC..THydrogen-bonded Turntrans-52.2-41.6-174.4-71.2-165-172.800113.2R565 R646R565-E653 IonicContact CZ-OE1 3.12Å; R565-E653 IonicContact CZ-OE2 2.73Å; R565-E653 VanDerWaalsContact NH1-CD 3.33Å; R565-E653 IonicContact NH1-OE1 2.88Å; R565-E653 PolarHBondContact NH1-OE1 2.76Å; R565-E653 IonicContact NH1-OE2 3.94Å; R565-E653 PolarHBondContact NH1-OE2 3.1Å; R565-E653 IonicContact NH2-OE1 3.47Å; R565-E653 PolarHBondContact NH2-OE1 2.9Å; R565-E653 IonicContact NH2-OE2 2.7Å; R646-E653 PolarHBondContact NH1-O 3.38Å
654D85.3Confident89.1Confident157 Ų15741.5 Ų41.584%0.8423%0.228SC*.THydrogen-bonded Turntrans-106.59-176.9-55.3-51.6000113.9S652S652-D654 PolarHBondContact O-N 3.44Å; S652-D654 VanDerWaalsContact O-N 3.13Å
655E88.2Confident89.1Confident29 Ų2948.2 Ų48.214%0.13625%0.253CS..  trans-67.4131.6-177.4-173.1178.2176.800111R646 F651 S652 T657 K660 R683R646-E655 PolarHBondContact NH1-O 2.65Å; R646-E655 PolarHBondContact NH2-O 3.34Å; F651-E655 WeakPolarHBondContact CA-OE2 3.41Å; S652-E655 PolarHBondContact N-OE2 2.95Å; S652-E655 VanDerWaalsContact N-OE2 3.15Å; S652-E655 PolarHBondContact O-N 3.41Å; S652-E655 VanDerWaalsContact O-N 3.12Å; E655-T657 PolarHBondContact O-N 3.19Å; E655-K660 IonicContact OE1-NZ 2.72Å; E655-K660 PolarHBondContact OE1-NZ 3.03Å; E655-R683 IonicContact OE1-CZ 3.54Å; E655-R683 IonicContact OE1-NH1 2.92Å; E655-R683 PolarHBondContact OE1-NH1 2.76Å; E655-R683 VanDerWaalsContact OE1-NH1 3.1Å; E655-R683 IonicContact OE1-NH2 2.64Å; E655-R683 IonicContact OE2-NH1 2.81Å; E655-R683 PolarHBondContact OE2-NH1 3.36Å; E655-R683 VanDerWaalsContact OE2-NH1 3.1Å
656P88.5Confident89.1Confident92 Ų9252.2 Ų52.260%0.59727%0.271SS*.  trans-68.5128.9173.226.5-32.3000110.5
657T88.6Confident89.3Confident19 Ų1949.1 Ų49.112%0.11726%0.26CS..  trans-88.9-5.4-179.352.10000113.2E642 F651 E655 G659 K660 S661E642-T657 HydrophobicContact CG-CG2 4.16Å; E642-T657 WeakPolarHBondContact OE1-CB 3.32Å; E642-T657 PolarHBondContact OE1-OG1 3.39Å; E642-T657 VanDerWaalsContact OE1-OG1 3.14Å; E642-T657 PolarHBondContact OE2-OG1 3.15Å; F651-T657 HydrophobicContact CD1-CG2 4.48Å; F651-T657 HydrophobicContact CD2-CG2 3.82Å; F651-T657 HydrophobicContact CE1-CG2 4.47Å; F651-T657 HydrophobicContact CE2-CG2 3.82Å; F651-T657 HydrophobicContact CG-CG2 4.18Å; F651-T657 HydrophobicContact CZ-CG2 4.17Å; E655-T657 PolarHBondContact O-N 3.19Å; T657-G659 PolarHBondContact O-N 3.15Å; T657-K660 PolarHBondContact O-N 2.77Å; T657-S661 PolarHBondContact O-N 2.85Å; T657-S661 VanDerWaalsContact O-N 3.13Å
658T87.5Confident89.5Confident131 Ų13149.6 Ų49.680%0.80427%0.267SS*.THydrogen-bonded Turntrans-56.3120.6180-47.20000110.5K660T658-K660 PolarHBondContact O-N 2.58Å
659G90Very high89.6Confident15 Ų1553 Ų5316%0.15530%0.296CS..THydrogen-bonded Turntrans76.74.1-178.500000115.6T657 F662 R681T657-G659 PolarHBondContact O-N 3.15Å; G659-F662 WeakPolarHBondContact O-CE2 3.43Å; G659-F662 WeakPolarHBondContact O-CZ 3.38Å; G659-R681 WeakPolarHBondContact O-CD 3.45Å; G659-R681 WeakPolarHBondContact O-CG 3.44Å; G659-R681 PolarHBondContact O-NE 3.3Å; G659-R681 PolarHBondContact O-NH1 2.78Å
660K93.9Very high89.7Confident59 Ų5954.2 Ų54.226%0.25730%0.3SS..THydrogen-bonded Turntrans-117.9-11.8174.2-62.7175.4179.1166.70113.1F651 E655 T657 T658 A682 R683 L684F651-K660 HydrophobicContact CE1-CB 3.82Å; F651-K660 HydrophobicContact CE1-CD 4.16Å; F651-K660 HydrophobicContact CZ-CB 4.04Å; E655-K660 IonicContact OE1-NZ 2.72Å; E655-K660 PolarHBondContact OE1-NZ 3.03Å; T657-K660 PolarHBondContact O-N 2.77Å; T658-K660 PolarHBondContact O-N 2.58Å; K660-A682 WeakPolarHBondContact O-CA 3.44Å; K660-R683 PolarHBondContact O-N 3.33Å; K660-L684 PolarHBondContact O-N 3.38Å
661S94.1Very high89.8Confident3 Ų357.6 Ų57.62%0.02132%0.321CS..EExtended strand (participates in β ladder)trans-128.2120-176.8172.40000109.5K638 E642 T657 L684K638-S661 WeakPolarHBondContact CE-O 3.43Å; K638-S661 WeakPolarHBondContact CE-OG 3.32Å; K638-S661 PolarHBondContact NZ-O 3.4Å; E642-S661 WeakPolarHBondContact OE1-CB 3.33Å; E642-S661 PolarHBondContact OE1-OG 3.17Å; T657-S661 PolarHBondContact O-N 2.85Å; T657-S661 VanDerWaalsContact O-N 3.13Å; S661-L684 WeakPolarHBondContact CA-O 3.48Å
662F94.1Very high89.8Confident17 Ų1763.1 Ų63.18%0.07535%0.35CS..EExtended strand (participates in β ladder)trans-129.4145.6-177.2-60.4-88000110.7G659 E666 L670 A678 A682 L684 F685 A686G659-F662 WeakPolarHBondContact O-CE2 3.43Å; G659-F662 WeakPolarHBondContact O-CZ 3.38Å; F662-E666 WeakPolarHBondContact CA-OE2 3.34Å; F662-L670 HydrophobicContact CD1-CD1 4.35Å; F662-L670 HydrophobicContact CE1-CD1 4.13Å; F662-A678 HydrophobicContact CD2-CB 4.45Å; F662-A678 HydrophobicContact CE1-CB 4.39Å; F662-A678 HydrophobicContact CE2-CB 3.91Å; F662-A678 HydrophobicContact CZ-CB 3.87Å; F662-A682 HydrophobicContact CD2-CB 3.98Å; F662-A682 HydrophobicContact CE2-CB 4.01Å; F662-L684 PolarHBondContact N-O 2.82Å; F662-F685 HydrophobicContact CB-CD1 3.95Å; F662-F685 HydrophobicContact CB-CE1 4.04Å; F662-F685 HydrophobicContact CD2-CE1 4.15Å; F662-F685 HydrophobicContact CG-CE1 4.41Å; F662-F685 CarbonylContact O-C 3.58Å; F662-F685 VanDerWaalsContact O-CA 3.27Å; F662-F685 WeakPolarHBondContact O-CA 3.37Å; F662-A686 PolarHBondContact O-N 2.99Å
663T88.8Confident90Very high26 Ų2666.6 Ų66.616%0.1636%0.359CS..EExtended strand (participates in β ladder)trans-86.2157.6162.155.60000110K638 R665 E666 F667 A686K638-T663 HydrophobicContact CB-CG2 3.88Å; K638-T663 HydrophobicContact CD-CG2 3.99Å; K638-T663 HydrophobicContact CG-CG2 4.24Å; T663-R665 PolarHBondContact O-N 3.11Å; T663-E666 PolarHBondContact N-OE2 3.35Å; T663-E666 PolarHBondContact O-N 3.11Å; T663-E666 VanDerWaalsContact O-N 3.09Å; T663-E666 WeakPolarHBondContact OG1-CB 3.07Å; T663-E666 VanDerWaalsContact OG1-CD 3.25Å; T663-E666 WeakPolarHBondContact OG1-CG 3.16Å; T663-E666 PolarHBondContact OG1-N 3.44Å; T663-E666 PolarHBondContact OG1-OE2 2.89Å; T663-F667 WeakPolarHBondContact O-CB 3.32Å; T663-F667 PolarHBondContact O-N 3.48Å; T663-A686 CarbonylContact C-O 3.59Å; T663-A686 WeakPolarHBondContact CA-O 3.48Å
664G87Confident90.5Very high0 Ų066.5 Ų66.50%036%0.358CS..Hα-helixtrans-51.3-42.5173.700000112.5F667 D668 A686 R687G664-F667 WeakPolarHBondContact O-CB 3.43Å; G664-F667 PolarHBondContact O-N 3.41Å; G664-D668 PolarHBondContact O-N 3.07Å; G664-A686 PolarHBondContact N-O 2.86Å; G664-R687 PolarHBondContact N-O 2.87Å
665R84.4Confident90.9Very high142 Ų14259.3 Ų59.354%0.53632%0.319SS..Hα-helixtrans-67.4-40.3177.3-172.3-179.5-179.5137.33.9113.8D196 T663 F667 A669D196-R665 IonicContact OD2-CZ 2.83Å; D196-R665 IonicContact OD2-NH1 3.95Å; D196-R665 PolarHBondContact OD2-NH1 2.95Å; D196-R665 IonicContact OD2-NH2 3.81Å; D196-R665 PolarHBondContact OD2-NH2 2.82Å; T663-R665 PolarHBondContact O-N 3.11Å; R665-F667 VanDerWaalsContact C-N 3.29Å; R665-A669 WeakPolarHBondContact O-CB 3.32Å; R665-A669 PolarHBondContact O-N 3.3Å; R665-A669 VanDerWaalsContact O-N 3.16Å
666E90.5Very high91.2Very high83 Ų8360.8 Ų60.839%0.38832%0.324SS..Hα-helixtrans-63-41.8174.1-76.9165.6156.400110.1K638 F662 T663 A669 L670K638-E666 VanDerWaalsContact NZ-CD 3.34Å; K638-E666 IonicContact NZ-OE1 2.69Å; K638-E666 PolarHBondContact NZ-OE1 2.88Å; K638-E666 VanDerWaalsContact NZ-OE1 3.12Å; K638-E666 IonicContact NZ-OE2 3.1Å; K638-E666 PolarHBondContact NZ-OE2 3.5Å; F662-E666 WeakPolarHBondContact CA-OE2 3.34Å; T663-E666 PolarHBondContact N-OE2 3.35Å; T663-E666 PolarHBondContact O-N 3.11Å; T663-E666 VanDerWaalsContact O-N 3.09Å; T663-E666 WeakPolarHBondContact OG1-CB 3.07Å; T663-E666 VanDerWaalsContact OG1-CD 3.25Å; T663-E666 WeakPolarHBondContact OG1-CG 3.16Å; T663-E666 PolarHBondContact OG1-N 3.44Å; T663-E666 PolarHBondContact OG1-OE2 2.89Å; E666-A669 PolarHBondContact O-N 3.05Å; E666-L670 WeakPolarHBondContact O-CG 3.46Å; E666-L670 PolarHBondContact O-N 2.78Å
667F93.1Very high91.4Very high0 Ų060.7 Ų60.70%032%0.315CS..Hα-helixtrans-64.1-48.3178.1-174.8-112.4000112T663 G664 R665 A669 L670 Q675 A678 F685 K695 I696 F699T663-F667 WeakPolarHBondContact O-CB 3.32Å; T663-F667 PolarHBondContact O-N 3.48Å; G664-F667 WeakPolarHBondContact O-CB 3.43Å; G664-F667 PolarHBondContact O-N 3.41Å; R665-F667 VanDerWaalsContact C-N 3.29Å; F667-A669 PolarHBondContact O-N 2.84Å; F667-L670 HydrophobicContact CD2-CD1 4.49Å; F667-L670 WeakPolarHBondContact O-CB 3.39Å; F667-L670 PolarHBondContact O-N 3.49Å; F667-Q675 HydrophobicContact CD2-CB 4.34Å; F667-Q675 HydrophobicContact CD2-CG 4.13Å; F667-Q675 HydrophobicContact CE1-CB 4.46Å; F667-Q675 HydrophobicContact CE1-CG 4.39Å; F667-Q675 HydrophobicContact CE2-CB 3.62Å; F667-Q675 HydrophobicContact CE2-CG 3.89Å; F667-Q675 WeakPolarHBondContact CE2-O 3.08Å; F667-Q675 HydrophobicContact CZ-CB 3.7Å; F667-Q675 HydrophobicContact CZ-CG 4.03Å; F667-Q675 WeakPolarHBondContact O-CG 3.32Å; F667-Q675 PolarHBondContact O-NE2 3.34Å; F667-A678 HydrophobicContact CD2-CB 4.41Å; F667-A678 HydrophobicContact CE2-CB 4.28Å; F667-F685 AromaticContact CD2-CE1 3.74Å; F667-F685 HydrophobicContact CD2-CE1 3.74Å; F667-F685 HydrophobicContact CE2-CE1 4Å; F667-F685 HydrophobicContact CE2-CZ 4.4Å; F667-F685 HydrophobicContact CG-CE1 4.18Å; F667-K695 HydrophobicContact CE1-CD 4.3Å; F667-I696 HydrophobicContact CZ-CG1 4.48Å; F667-F699 HydrophobicContact CE1-CE2 4.37Å; F667-F699 AromaticContact CZ-CD2 3.98Å; F667-F699 HydrophobicContact CZ-CD2 3.98Å; F667-F699 AromaticContact CZ-CE2 3.8Å; F667-F699 HydrophobicContact CZ-CE2 3.8Å
668D88.8Confident91.7Very high74 Ų7459.8 Ų59.840%0.39631%0.31SS..Hα-helixtrans-61.2-28.3176.9-76.8-23.6000113.9G664 L670 H692G664-D668 PolarHBondContact O-N 3.07Å; D668-L670 VanDerWaalsContact C-N 3.28Å; D668-H692 IonicContact OD1-CD2 3.37Å; D668-H692 IonicContact OD1-NE2 2.78Å; D668-H692 PolarHBondContact OD1-NE2 3.04Å; D668-H692 IonicContact OD2-CE1 3.46Å; D668-H692 PolarHBondContact OD2-CE1 3.22Å; D668-H692 IonicContact OD2-NE2 3.37Å; D668-H692 PolarHBondContact OD2-NE2 3.35Å
669A91.4Very high92.1Very high74 Ų7453.6 Ų53.661%0.61227%0.272SS*.Hα-helixtrans-75.5-18.1177.800000113R665 E666 F667R665-A669 WeakPolarHBondContact O-CB 3.32Å; R665-A669 PolarHBondContact O-N 3.3Å; R665-A669 VanDerWaalsContact O-N 3.16Å; E666-A669 PolarHBondContact O-N 3.05Å; F667-A669 PolarHBondContact O-N 2.84Å
670L93.1Very high92.2Very high37 Ų3758.4 Ų58.419%0.19429%0.285CS..SBendtrans-74.7143.9176.9-62174.9000110.9F662 E666 F667 D668 E674 Q675 A678F662-L670 HydrophobicContact CD1-CD1 4.35Å; F662-L670 HydrophobicContact CE1-CD1 4.13Å; E666-L670 WeakPolarHBondContact O-CG 3.46Å; E666-L670 PolarHBondContact O-N 2.78Å; F667-L670 HydrophobicContact CD2-CD1 4.49Å; F667-L670 WeakPolarHBondContact O-CB 3.39Å; F667-L670 PolarHBondContact O-N 3.49Å; D668-L670 VanDerWaalsContact C-N 3.28Å; L670-E674 HydrophobicContact CB-CB 4.07Å; L670-E674 HydrophobicContact CD2-CB 4.49Å; L670-Q675 HydrophobicContact CB-CG 3.76Å; L670-Q675 PolarHBondContact O-NE2 3.39Å; L670-Q675 VanDerWaalsContact O-NE2 3.1Å; L670-A678 HydrophobicContact CD1-CB 4.08Å
671P94.7Very high92.1Very high73 Ų7360.9 Ų60.947%0.47429%0.293SS..  trans-56153.4164.9-21.731.5000111.8E673 E674 Q675P671-E673 VanDerWaalsContact C-N 3.29Å; P671-E673 PolarHBondContact O-N 2.98Å; P671-E674 HydrophobicContact CG-CG 4.42Å; P671-E674 CarbonylContact O-C 3.58Å; P671-E674 WeakPolarHBondContact O-CA 3.48Å; P671-E674 PolarHBondContact O-N 3.24Å; P671-Q675 PolarHBondContact O-N 3.16Å
672I92.6Very high92.1Very high117 Ų11760.8 Ų60.860%0.629%0.292SS*.Hα-helixtrans-53.4-43-176.7-70160.7000112.6E674 Q675 R676 F699I672-E674 PolarHBondContact O-N 3.01Å; I672-Q675 WeakPolarHBondContact O-CB 3.49Å; I672-Q675 PolarHBondContact O-N 2.75Å; I672-R676 PolarHBondContact O-N 3.29Å; I672-F699 HydrophobicContact CG2-CE1 4.37Å; I672-F699 HydrophobicContact CG2-CZ 4.42Å
673E92Very high92.2Very high143 Ų14363 Ų6367%0.66830%0.3SS*.Hα-helixtrans-63.8-38.8176.9-65.2-58.6147.200112.7P671 R676 E677P671-E673 VanDerWaalsContact C-N 3.29Å; P671-E673 PolarHBondContact O-N 2.98Å; E673-R676 PolarHBondContact O-N 3.41Å; E673-E677 PolarHBondContact O-N 3.21Å
674E93.8Very high92.5Very high105 Ų10561.8 Ų61.849%0.49129%0.292SS..Hα-helixtrans-74.2-27.7176.4-70.3-173.6-149.600112.3L670 P671 I672 A678L670-E674 HydrophobicContact CB-CB 4.07Å; L670-E674 HydrophobicContact CD2-CB 4.49Å; P671-E674 HydrophobicContact CG-CG 4.42Å; P671-E674 CarbonylContact O-C 3.58Å; P671-E674 WeakPolarHBondContact O-CA 3.48Å; P671-E674 PolarHBondContact O-N 3.24Å; I672-E674 PolarHBondContact O-N 3.01Å; E674-A678 WeakPolarHBondContact O-CB 3.43Å; E674-A678 PolarHBondContact O-N 3.44Å
675Q94Very high92.9Very high6 Ų661.8 Ų61.83%0.02829%0.292CS..Hα-helixtrans-64.2-47170.5-71.4-179.2-6.700110.6F667 L670 P671 I672 E677 A678 C679 F699F667-Q675 HydrophobicContact CD2-CB 4.34Å; F667-Q675 HydrophobicContact CD2-CG 4.13Å; F667-Q675 HydrophobicContact CE1-CB 4.46Å; F667-Q675 HydrophobicContact CE1-CG 4.39Å; F667-Q675 HydrophobicContact CE2-CB 3.62Å; F667-Q675 HydrophobicContact CE2-CG 3.89Å; F667-Q675 WeakPolarHBondContact CE2-O 3.08Å; F667-Q675 HydrophobicContact CZ-CB 3.7Å; F667-Q675 HydrophobicContact CZ-CG 4.03Å; F667-Q675 WeakPolarHBondContact O-CG 3.32Å; F667-Q675 PolarHBondContact O-NE2 3.34Å; L670-Q675 HydrophobicContact CB-CG 3.76Å; L670-Q675 PolarHBondContact O-NE2 3.39Å; L670-Q675 VanDerWaalsContact O-NE2 3.1Å; P671-Q675 PolarHBondContact O-N 3.16Å; I672-Q675 WeakPolarHBondContact O-CB 3.49Å; I672-Q675 PolarHBondContact O-N 2.75Å; Q675-E677 PolarHBondContact O-N 3.27Å; Q675-A678 WeakPolarHBondContact O-CB 3.35Å; Q675-A678 PolarHBondContact O-N 2.79Å; Q675-C679 PolarHBondContact O-N 2.91Å; Q675-F699 HydrophobicContact CB-CE2 3.7Å; Q675-F699 HydrophobicContact CB-CZ 3.99Å
676R93.7Very high93Very high60 Ų6055 Ų5523%0.22627%0.267CS..Hα-helixtrans-59.1-48.6176-173.2175.5180156.94.8111.4I672 E673 A678 C679 R680 F699 E702 D703I672-R676 PolarHBondContact O-N 3.29Å; E673-R676 PolarHBondContact O-N 3.41Å; R676-A678 VanDerWaalsContact C-N 3.29Å; R676-A678 PolarHBondContact O-N 3.36Å; R676-C679 WeakPolarHBondContact O-CB 3.16Å; R676-C679 PolarHBondContact O-N 3.09Å; R676-C679 VanDerWaalsContact O-N 3.11Å; R676-R680 PolarHBondContact O-N 3.46Å; R676-F699 HydrophobicContact CB-CD1 4.07Å; R676-F699 HydrophobicContact CB-CE1 4.35Å; R676-F699 HydrophobicContact CB-CG 4.46Å; R676-F699 HydrophobicContact CG-CD1 4.26Å; R676-E702 IonicContact CZ-OE2 3.43Å; R676-E702 IonicContact NH1-OE2 2.76Å; R676-E702 PolarHBondContact NH1-OE2 3.16Å; R676-E702 PolarHBondContact NH2-O 3.26Å; R676-D703 IonicContact CZ-OD1 2.58Å; R676-D703 IonicContact NE-OD1 2.74Å; R676-D703 PolarHBondContact NE-OD1 3.39Å; R676-D703 IonicContact NH2-OD1 3.72Å; R676-D703 PolarHBondContact NH2-OD1 3.49Å
677E93.9Very high92.7Very high91 Ų9156 Ų5643%0.42527%0.267SS..Hα-helixtrans-64.6-33.6176.7-171.958.7-155.900112.4E673 Q675 R680 R681E673-E677 PolarHBondContact O-N 3.21Å; Q675-E677 PolarHBondContact O-N 3.27Å; E677-R680 PolarHBondContact O-N 3.35Å; E677-R680 WeakPolarHBondContact OE2-CD 3.39Å; E677-R680 IonicContact OE2-CZ 2.68Å; E677-R680 IonicContact OE2-NH1 2.79Å; E677-R680 PolarHBondContact OE2-NH1 3.04Å; E677-R681 WeakPolarHBondContact O-CG 3.29Å
678A94.2Very high92.2Very high0 Ų056.4 Ų56.40%027%0.27CS..Hα-helixtrans-62.2-42.5171.700000111.7F662 F667 L670 E674 Q675 R676 R680 R681 A682F662-A678 HydrophobicContact CD2-CB 4.45Å; F662-A678 HydrophobicContact CE1-CB 4.39Å; F662-A678 HydrophobicContact CE2-CB 3.91Å; F662-A678 HydrophobicContact CZ-CB 3.87Å; F667-A678 HydrophobicContact CD2-CB 4.41Å; F667-A678 HydrophobicContact CE2-CB 4.28Å; L670-A678 HydrophobicContact CD1-CB 4.08Å; E674-A678 WeakPolarHBondContact O-CB 3.43Å; E674-A678 PolarHBondContact O-N 3.44Å; Q675-A678 WeakPolarHBondContact O-CB 3.35Å; Q675-A678 PolarHBondContact O-N 2.79Å; R676-A678 VanDerWaalsContact C-N 3.29Å; R676-A678 PolarHBondContact O-N 3.36Å; A678-R680 VanDerWaalsContact C-N 3.28Å; A678-R680 PolarHBondContact O-N 3.23Å; A678-R681 WeakPolarHBondContact O-CG 3.43Å; A678-R681 PolarHBondContact O-N 3.33Å; A678-A682 WeakPolarHBondContact O-CA 3.21Å; A678-A682 WeakPolarHBondContact O-CB 3.19Å; A678-A682 PolarHBondContact O-N 3.5Å
679C95.2Very high91.8Very high0 Ų054.2 Ų54.20%026%0.257CS..Hα-helixtrans-62-31.2176.8-73.50000113.4R629 Q675 R676 R681 F699 L700R629-C679 PolarHBondContact NH1-O 2.77Å; R629-C679 PolarHBondContact NH2-O 3.29Å; Q675-C679 PolarHBondContact O-N 2.91Å; R676-C679 WeakPolarHBondContact O-CB 3.16Å; R676-C679 PolarHBondContact O-N 3.09Å; R676-C679 VanDerWaalsContact O-N 3.11Å; C679-R681 PolarHBondContact O-N 3.2Å; C679-F699 HydrophobicContact CB-CB 4.06Å; C679-L700 HydrophobicContact CB-CD2 4.47Å
680R92.4Very high91.2Very high116 Ų11651.1 Ų51.144%0.43823%0.231SC..Hα-helixtrans-67.1-32.5175.7-70-178.2-176.6156.2-3.5114.3R629 R676 E677 A678 D703R629-R680 VanDerWaalsContact CZ-O 3.25Å; R629-R680 VanDerWaalsContact NH1-C 3.3Å; R629-R680 PolarHBondContact NH1-O 2.83Å; R676-R680 PolarHBondContact O-N 3.46Å; E677-R680 PolarHBondContact O-N 3.35Å; E677-R680 WeakPolarHBondContact OE2-CD 3.39Å; E677-R680 IonicContact OE2-CZ 2.68Å; E677-R680 IonicContact OE2-NH1 2.79Å; E677-R680 PolarHBondContact OE2-NH1 3.04Å; A678-R680 VanDerWaalsContact C-N 3.28Å; A678-R680 PolarHBondContact O-N 3.23Å; R680-D703 WeakPolarHBondContact CG-OD2 3.5Å; R680-D703 IonicContact CZ-OD1 2.89Å; R680-D703 IonicContact CZ-OD2 2.73Å; R680-D703 IonicContact NE-OD1 3.59Å; R680-D703 PolarHBondContact NE-OD1 3.45Å; R680-D703 IonicContact NE-OD2 2.93Å; R680-D703 PolarHBondContact NE-OD2 3.21Å; R680-D703 IonicContact NH2-OD1 2.66Å; R680-D703 PolarHBondContact NH2-OD1 3.06Å; R680-D703 IonicContact NH2-OD2 2.84Å
681R93Very high90.6Very high112 Ų11254.5 Ų54.542%0.42325%0.247SC..Hα-helixtrans-108.3-22.9-173.865.2-173175.7130.1-3.5114.3G659 E677 A678 C679G659-R681 WeakPolarHBondContact O-CD 3.45Å; G659-R681 WeakPolarHBondContact O-CG 3.44Å; G659-R681 PolarHBondContact O-NE 3.3Å; G659-R681 PolarHBondContact O-NH1 2.78Å; E677-R681 WeakPolarHBondContact O-CG 3.29Å; A678-R681 WeakPolarHBondContact O-CG 3.43Å; A678-R681 PolarHBondContact O-N 3.33Å; C679-R681 PolarHBondContact O-N 3.2Å
682A94.4Very high90.4Very high0 Ų051.7 Ų51.70%023%0.227CC..  trans-64.4147.1-177.100000111.3R629 K660 F662 A678 F685R629-A682 PolarHBondContact NH1-O 3.42Å; K660-A682 WeakPolarHBondContact O-CA 3.44Å; F662-A682 HydrophobicContact CD2-CB 3.98Å; F662-A682 HydrophobicContact CE2-CB 4.01Å; A678-A682 WeakPolarHBondContact O-CA 3.21Å; A678-A682 WeakPolarHBondContact O-CB 3.19Å; A678-A682 PolarHBondContact O-N 3.5Å; A682-F685 HydrophobicContact CB-CD2 4.4Å; A682-F685 HydrophobicContact CB-CE1 4.31Å; A682-F685 HydrophobicContact CB-CE2 3.52Å; A682-F685 HydrophobicContact CB-CZ 3.47Å; A682-F685 VanDerWaalsContact CB-CZ 3.47Å
683R95.2Very high90.3Very high64 Ų6446.3 Ų46.324%0.24220%0.2CC..SBendtrans-126.6-5.3168.7-55.1-174.1-173.1153.36.2112.4I631 M632 I650 F651 E655 K660I631-R683 WeakPolarHBondContact CA-O 3.49Å; M632-R683 PolarHBondContact N-O 3.46Å; I650-R683 HydrophobicContact CG2-CB 3.56Å; I650-R683 HydrophobicContact CG2-CG 4.41Å; I650-R683 PolarHBondContact O-NH1 2.89Å; F651-R683 HydrophobicContact CE1-CB 3.81Å; F651-R683 HydrophobicContact CE1-CG 4.19Å; F651-R683 HydrophobicContact CZ-CB 3.84Å; E655-R683 IonicContact OE1-CZ 3.54Å; E655-R683 IonicContact OE1-NH1 2.92Å; E655-R683 PolarHBondContact OE1-NH1 2.76Å; E655-R683 VanDerWaalsContact OE1-NH1 3.1Å; E655-R683 IonicContact OE1-NH2 2.64Å; E655-R683 IonicContact OE2-NH1 2.81Å; E655-R683 PolarHBondContact OE2-NH1 3.36Å; E655-R683 VanDerWaalsContact OE2-NH1 3.1Å; K660-R683 PolarHBondContact O-N 3.33Å
684L95.4Very high90.2Very high0 Ų040.6 Ų40.60%018%0.175CC..EExtended strand (participates in β ladder)trans-144.7127.3178.7172.260.1000111.5M632 T634 A641 E642 F651 K660 S661 F662M632-L684 HydrophobicContact CB-CD1 4.01Å; M632-L684 HydrophobicContact CG-CD1 4.1Å; M632-L684 CarbonylContact O-C 3.57Å; M632-L684 VanDerWaalsContact O-CA 3.32Å; M632-L684 WeakPolarHBondContact O-CA 3.46Å; M632-L684 HydrophobicContact SD-CD1 4.05Å; T634-L684 HydrophobicContact CG2-CD1 4.3Å; A641-L684 HydrophobicContact CB-CD1 3.63Å; A641-L684 HydrophobicContact CB-CD2 3.83Å; A641-L684 HydrophobicContact CB-CG 4.3Å; E642-L684 HydrophobicContact CB-CD2 4.23Å; E642-L684 HydrophobicContact CG-CD2 3.47Å; E642-L684 VanDerWaalsContact CG-CD2 3.47Å; F651-L684 HydrophobicContact CE2-CB 3.91Å; F651-L684 HydrophobicContact CE2-CD2 4.26Å; F651-L684 HydrophobicContact CZ-CB 4.12Å; K660-L684 PolarHBondContact O-N 3.38Å; S661-L684 WeakPolarHBondContact CA-O 3.48Å; F662-L684 PolarHBondContact N-O 2.82Å
685F94.2Very high90.1Very high0 Ų038.3 Ų38.30%016%0.164CC..EExtended strand (participates in β ladder)trans-119.1121.6164.6-66.9-85000109.7I631 M632 I633 T634 F662 F667 A682 V688 I696I631-F685 HydrophobicContact CG2-CD2 3.76Å; I631-F685 HydrophobicContact CG2-CE2 3.97Å; M632-F685 PolarHBondContact O-N 2.98Å; I633-F685 CarbonylContact C-O 3.56Å; I633-F685 WeakPolarHBondContact CA-O 3.09Å; I633-F685 HydrophobicContact CG1-CB 4.5Å; I633-F685 HydrophobicContact CG1-CD2 4.45Å; T634-F685 PolarHBondContact N-O 2.82Å; F662-F685 HydrophobicContact CB-CD1 3.95Å; F662-F685 HydrophobicContact CB-CE1 4.04Å; F662-F685 HydrophobicContact CD2-CE1 4.15Å; F662-F685 HydrophobicContact CG-CE1 4.41Å; F662-F685 CarbonylContact O-C 3.58Å; F662-F685 VanDerWaalsContact O-CA 3.27Å; F662-F685 WeakPolarHBondContact O-CA 3.37Å; F667-F685 AromaticContact CD2-CE1 3.74Å; F667-F685 HydrophobicContact CD2-CE1 3.74Å; F667-F685 HydrophobicContact CE2-CE1 4Å; F667-F685 HydrophobicContact CE2-CZ 4.4Å; F667-F685 HydrophobicContact CG-CE1 4.18Å; A682-F685 HydrophobicContact CB-CD2 4.4Å; A682-F685 HydrophobicContact CB-CE1 4.31Å; A682-F685 HydrophobicContact CB-CE2 3.52Å; A682-F685 HydrophobicContact CB-CZ 3.47Å; A682-F685 VanDerWaalsContact CB-CZ 3.47Å; F685-V688 HydrophobicContact CB-CG1 3.94Å; F685-V688 HydrophobicContact CB-CG2 4.23Å; F685-I696 HydrophobicContact CB-CD1 4.05Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD2-CD1 3.56Å; F685-I696 HydrophobicContact CD2-CG1 4.31Å; F685-I696 HydrophobicContact CE1-CD1 4.2Å; F685-I696 HydrophobicContact CE1-CG1 4.39Å; F685-I696 HydrophobicContact CE2-CD1 3.88Å; F685-I696 HydrophobicContact CE2-CG1 4.11Å; F685-I696 HydrophobicContact CE2-CG2 4.14Å; F685-I696 HydrophobicContact CG-CD1 3.56Å; F685-I696 HydrophobicContact CZ-CD1 4.18Å; F685-I696 HydrophobicContact CZ-CG1 4.14Å
686A88Confident90.1Very high0 Ų038 Ų380%016%0.162CC..EExtended strand (participates in β ladder)trans-113.6161.6-179.300000111.1T634 K638 A641 F662 T663 G664 V688T634-A686 HydrophobicContact CG2-CB 4.38Å; T634-A686 CarbonylContact O-C 3.53Å; T634-A686 VanDerWaalsContact O-C 3.28Å; T634-A686 WeakPolarHBondContact O-CA 3.36Å; K638-A686 HydrophobicContact CB-CB 4.16Å; K638-A686 HydrophobicContact CG-CB 4.46Å; A641-A686 HydrophobicContact CB-CB 4.13Å; F662-A686 PolarHBondContact O-N 2.99Å; T663-A686 CarbonylContact C-O 3.59Å; T663-A686 WeakPolarHBondContact CA-O 3.48Å; G664-A686 PolarHBondContact N-O 2.86Å; A686-V688 PolarHBondContact O-N 3.31Å; A686-V688 VanDerWaalsContact O-N 3.16Å
687R82.8Confident90.1Very high104 Ų10435.2 Ų35.239%0.39215%0.152SC..SBendtrans46.345.6-178.5-65.2-67.6-173.4-178.4-2.9112.6T634 G635 D636 G664T634-R687 PolarHBondContact O-N 2.76Å; G635-R687 WeakPolarHBondContact O-CD 3.22Å; D636-R687 WeakPolarHBondContact O-CG 3.41Å; D636-R687 PolarHBondContact O-N 3.43Å; G664-R687 PolarHBondContact N-O 2.87Å
688V84.1Confident90.1Very high9 Ų934.7 Ų34.76%0.05515%0.149CC..  trans-94.3141.3-175.5-101.40000111.1I633 T634 F685 A686 H692I633-V688 HydrophobicContact CG2-CB 4.38Å; I633-V688 HydrophobicContact CG2-CG2 3.59Å; T634-V688 WeakPolarHBondContact O-CG2 3.3Å; T634-V688 PolarHBondContact O-N 3.25Å; F685-V688 HydrophobicContact CB-CG1 3.94Å; F685-V688 HydrophobicContact CB-CG2 4.23Å; A686-V688 PolarHBondContact O-N 3.31Å; A686-V688 VanDerWaalsContact O-N 3.16Å; V688-H692 HydrophobicContact CB-CB 4.03Å; V688-H692 HydrophobicContact CG1-CB 3.47Å; V688-H692 VanDerWaalsContact CG1-CB 3.47Å
689E79.5Confident90.1Very high27 Ų2735.1 Ų35.113%0.12615%0.151CC..  trans-85.8161.6172.6-76.3-70.1135.700110.4V200 N201 M691 H692 K693V200-E689 WeakPolarHBondContact CA-OE1 3.19Å; V200-E689 HydrophobicContact CB-CG 4.13Å; V200-E689 WeakPolarHBondContact CB-OE1 3.37Å; V200-E689 HydrophobicContact CG1-CG 3.75Å; N201-E689 PolarHBondContact N-OE1 3.44Å; N201-E689 PolarHBondContact ND2-OE2 3.32Å; E689-M691 PolarHBondContact O-N 3.11Å; E689-M691 VanDerWaalsContact O-N 3.15Å; E689-H692 PolarHBondContact N-ND1 2.89Å; E689-H692 VanDerWaalsContact N-ND1 3.16Å; E689-H692 WeakPolarHBondContact O-CB 3.36Å; E689-H692 PolarHBondContact O-N 3.25Å; E689-K693 PolarHBondContact O-N 2.89Å
690P78.5Confident90Very high10 Ų1035.1 Ų35.17%0.06515%0.151CC..Hα-helixtrans-48.7-42.3175.1-2632.5000112.8I235 H692 K693 N715I235-P690 HydrophobicContact CD1-CG 4.5Å; P690-H692 VanDerWaalsContact C-N 3.31Å; P690-H692 PolarHBondContact O-N 3.27Å; P690-K693 WeakPolarHBondContact O-CB 3.38Å; P690-K693 PolarHBondContact O-N 2.84Å; P690-K693 VanDerWaalsContact O-N 3.16Å; P690-N715 HydrophobicContact CB-CB 4.32Å; P690-N715 WeakPolarHBondContact CB-O 3.47Å; P690-N715 HydrophobicContact CG-CB 3.87Å
691M82Confident89.9Confident108 Ų10831.1 Ų31.153%0.53214%0.138SC..Hα-helixtrans-66.2-28.6179.6-62.3-168.954.600113.9Q238 E689 K693 S694 K695Q238-M691 PolarHBondContact NE2-SD 3.11Å; E689-M691 PolarHBondContact O-N 3.11Å; E689-M691 VanDerWaalsContact O-N 3.15Å; M691-K693 VanDerWaalsContact C-N 3.29Å; M691-S694 PolarHBondContact O-OG 2.75Å; M691-S694 VanDerWaalsContact O-OG 3.08Å; M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 PolarHBondContact O-N 2.82Å; M691-K695 VanDerWaalsContact O-N 3.12Å
692H88.7Confident89.8Confident14 Ų1430.6 Ų30.67%0.06514%0.14CC..Hα-helixtrans-69.7-34.5176.4-60.6155.4000110.7D668 V688 E689 P690 K695 I696D668-H692 IonicContact OD1-CD2 3.37Å; D668-H692 IonicContact OD1-NE2 2.78Å; D668-H692 PolarHBondContact OD1-NE2 3.04Å; D668-H692 IonicContact OD2-CE1 3.46Å; D668-H692 PolarHBondContact OD2-CE1 3.22Å; D668-H692 IonicContact OD2-NE2 3.37Å; D668-H692 PolarHBondContact OD2-NE2 3.35Å; V688-H692 HydrophobicContact CB-CB 4.03Å; V688-H692 HydrophobicContact CG1-CB 3.47Å; V688-H692 VanDerWaalsContact CG1-CB 3.47Å; E689-H692 PolarHBondContact N-ND1 2.89Å; E689-H692 VanDerWaalsContact N-ND1 3.16Å; E689-H692 WeakPolarHBondContact O-CB 3.36Å; E689-H692 PolarHBondContact O-N 3.25Å; P690-H692 VanDerWaalsContact C-N 3.31Å; P690-H692 PolarHBondContact O-N 3.27Å; H692-K695 PolarHBondContact O-N 3.43Å; H692-I696 WeakPolarHBondContact O-CB 3.38Å; H692-I696 WeakPolarHBondContact O-CD1 3.33Å; H692-I696 WeakPolarHBondContact O-CG1 3.48Å; H692-I696 PolarHBondContact O-N 3.18Å
693K91Very high89.5Confident4 Ų432.7 Ų32.72%0.01715%0.151CC..Hα-helixtrans-61.6-49.2179.4-54-162.9167.2-162.40110.7D351 I633 E689 P690 M691 I696 V697 M709 D716 A719D351-K693 IonicContact OD1-NZ 3.1Å; D351-K693 PolarHBondContact OD1-NZ 3.39Å; I633-K693 HydrophobicContact CG2-CD 4.08Å; I633-K693 HydrophobicContact CG2-CG 3.82Å; E689-K693 PolarHBondContact O-N 2.89Å; P690-K693 WeakPolarHBondContact O-CB 3.38Å; P690-K693 PolarHBondContact O-N 2.84Å; P690-K693 VanDerWaalsContact O-N 3.16Å; M691-K693 VanDerWaalsContact C-N 3.29Å; K693-I696 PolarHBondContact O-N 3.18Å; K693-V697 WeakPolarHBondContact O-CG2 3.37Å; K693-V697 PolarHBondContact O-N 3.07Å; K693-M709 HydrophobicContact CB-CE 4.11Å; K693-M709 HydrophobicContact CD-CE 3.71Å; K693-M709 HydrophobicContact CG-CE 4.34Å; K693-D716 VanDerWaalsContact CD-OD1 3.28Å; K693-D716 WeakPolarHBondContact CD-OD1 3.48Å; K693-D716 WeakPolarHBondContact CE-OD1 3.41Å; K693-D716 IonicContact NZ-OD1 3.23Å; K693-D716 PolarHBondContact NZ-OD1 3.02Å; K693-A719 HydrophobicContact CB-CB 3.52Å
694S90.1Very high89.2Confident22 Ų2231.6 Ų31.615%0.15416%0.16CC..Hα-helixtrans-65.8-38.6177.361.90000112.4M691 I696 V697 E698M691-S694 PolarHBondContact O-OG 2.75Å; M691-S694 VanDerWaalsContact O-OG 3.08Å; S694-I696 PolarHBondContact O-N 3.02Å; S694-V697 WeakPolarHBondContact O-CB 3.33Å; S694-V697 PolarHBondContact O-N 2.9Å; S694-E698 WeakPolarHBondContact O-CB 3.31Å; S694-E698 PolarHBondContact O-N 2.98Å
695K92.1Very high89Confident58 Ų5834.8 Ų34.825%0.25217%0.174SC..Hα-helixtrans-66-37177.9-164178.6-167.4-170.20113.3F667 M691 H692 V697 E698 F699F667-K695 HydrophobicContact CE1-CD 4.3Å; M691-K695 WeakPolarHBondContact O-CB 3.46Å; M691-K695 PolarHBondContact O-N 2.82Å; M691-K695 VanDerWaalsContact O-N 3.12Å; H692-K695 PolarHBondContact O-N 3.43Å; K695-V697 VanDerWaalsContact C-N 3.35Å; K695-E698 PolarHBondContact O-N 3.34Å; K695-F699 HydrophobicContact CD-CE2 4.1Å; K695-F699 HydrophobicContact CG-CD2 4.2Å; K695-F699 HydrophobicContact CG-CE2 3.74Å; K695-F699 HydrophobicContact CG-CZ 4.32Å; K695-F699 VanDerWaalsContact O-CD2 3.22Å; K695-F699 WeakPolarHBondContact O-CD2 3.39Å; K695-F699 PolarHBondContact O-N 3.13Å; K695-F699 VanDerWaalsContact O-N 3.11Å
696I94.7Very high88.9Confident0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-63.1-46.2174.1-70.8159.2000109.7I633 F667 F685 H692 K693 S694 F699 L700I633-I696 HydrophobicContact CD1-CD1 4Å; I633-I696 HydrophobicContact CD1-CG2 4.23Å; F667-I696 HydrophobicContact CZ-CG1 4.48Å; F685-I696 HydrophobicContact CB-CD1 4.05Å; F685-I696 HydrophobicContact CD1-CD1 3.9Å; F685-I696 HydrophobicContact CD2-CD1 3.56Å; F685-I696 HydrophobicContact CD2-CG1 4.31Å; F685-I696 HydrophobicContact CE1-CD1 4.2Å; F685-I696 HydrophobicContact CE1-CG1 4.39Å; F685-I696 HydrophobicContact CE2-CD1 3.88Å; F685-I696 HydrophobicContact CE2-CG1 4.11Å; F685-I696 HydrophobicContact CE2-CG2 4.14Å; F685-I696 HydrophobicContact CG-CD1 3.56Å; F685-I696 HydrophobicContact CZ-CD1 4.18Å; F685-I696 HydrophobicContact CZ-CG1 4.14Å; H692-I696 WeakPolarHBondContact O-CB 3.38Å; H692-I696 WeakPolarHBondContact O-CD1 3.33Å; H692-I696 WeakPolarHBondContact O-CG1 3.48Å; H692-I696 PolarHBondContact O-N 3.18Å; K693-I696 PolarHBondContact O-N 3.18Å; S694-I696 PolarHBondContact O-N 3.02Å; I696-F699 PolarHBondContact O-N 2.87Å; I696-L700 HydrophobicContact CG2-CD1 4.19Å; I696-L700 WeakPolarHBondContact O-CG 3.45Å; I696-L700 PolarHBondContact O-N 2.73Å
697V93.6Very high89.2Confident0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-57.4-52.7175.41690000110K693 S694 K695 F699 L700 Q701 M709 K722 A723K693-V697 WeakPolarHBondContact O-CG2 3.37Å; K693-V697 PolarHBondContact O-N 3.07Å; S694-V697 WeakPolarHBondContact O-CB 3.33Å; S694-V697 PolarHBondContact O-N 2.9Å; K695-V697 VanDerWaalsContact C-N 3.35Å; V697-F699 VanDerWaalsContact C-N 3.34Å; V697-F699 PolarHBondContact O-N 2.98Å; V697-L700 WeakPolarHBondContact O-CA 3.34Å; V697-L700 WeakPolarHBondContact O-CB 3.45Å; V697-L700 PolarHBondContact O-N 3.13Å; V697-Q701 HydrophobicContact CG1-CG 4.14Å; V697-Q701 VanDerWaalsContact O-CG 3.32Å; V697-Q701 WeakPolarHBondContact O-CG 3.38Å; V697-Q701 PolarHBondContact O-N 2.92Å; V697-M709 HydrophobicContact CG2-CB 4.4Å; V697-K722 HydrophobicContact CG1-CB 4.26Å; V697-K722 HydrophobicContact CG1-CG 3.96Å; V697-A723 HydrophobicContact CG1-CB 3.98Å; V697-A723 HydrophobicContact CG2-CB 4.4Å
698E92.2Very high89.8Confident80 Ų8030 Ų3037%0.37416%0.157SC..Hα-helixtrans-51.5-47.8179.1-178.2176.1-149.500112.9S694 K695 L700 Q701 E702S694-E698 WeakPolarHBondContact O-CB 3.31Å; S694-E698 PolarHBondContact O-N 2.98Å; K695-E698 PolarHBondContact O-N 3.34Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 2.77Å; E698-Q701 WeakPolarHBondContact O-CB 3.5Å; E698-Q701 PolarHBondContact O-N 3.4Å; E698-E702 WeakPolarHBondContact O-CG 3.29Å; E698-E702 PolarHBondContact O-N 3Å
699F94.8Very high90.3Very high10 Ų1029.6 Ų29.64%0.04415%0.154CC..Hα-helixtrans-64-33.3177.2-72.1-47000113.9F667 I672 Q675 R676 C679 K695 I696 V697 D703F667-F699 HydrophobicContact CE1-CE2 4.37Å; F667-F699 AromaticContact CZ-CD2 3.98Å; F667-F699 HydrophobicContact CZ-CD2 3.98Å; F667-F699 AromaticContact CZ-CE2 3.8Å; F667-F699 HydrophobicContact CZ-CE2 3.8Å; I672-F699 HydrophobicContact CG2-CE1 4.37Å; I672-F699 HydrophobicContact CG2-CZ 4.42Å; Q675-F699 HydrophobicContact CB-CE2 3.7Å; Q675-F699 HydrophobicContact CB-CZ 3.99Å; R676-F699 HydrophobicContact CB-CD1 4.07Å; R676-F699 HydrophobicContact CB-CE1 4.35Å; R676-F699 HydrophobicContact CB-CG 4.46Å; R676-F699 HydrophobicContact CG-CD1 4.26Å; C679-F699 HydrophobicContact CB-CB 4.06Å; K695-F699 HydrophobicContact CD-CE2 4.1Å; K695-F699 HydrophobicContact CG-CD2 4.2Å; K695-F699 HydrophobicContact CG-CE2 3.74Å; K695-F699 HydrophobicContact CG-CZ 4.32Å; K695-F699 VanDerWaalsContact O-CD2 3.22Å; K695-F699 WeakPolarHBondContact O-CD2 3.39Å; K695-F699 PolarHBondContact O-N 3.13Å; K695-F699 VanDerWaalsContact O-N 3.11Å; I696-F699 PolarHBondContact O-N 2.87Å; V697-F699 VanDerWaalsContact C-N 3.34Å; V697-F699 PolarHBondContact O-N 2.98Å; F699-D703 PolarHBondContact O-N 2.9Å
700L94.1Very high91Very high0 Ų028.3 Ų28.30%015%0.148CC..Hα-helixtrans-68.9-41.7175-66.2170.2000110.8V347 R629 I631 C679 I696 V697 E698 D703 G704 E705V347-L700 HydrophobicContact CB-CD1 4.38Å; V347-L700 HydrophobicContact CG1-CD1 3.89Å; V347-L700 HydrophobicContact CG2-CD2 4.4Å; R629-L700 VanDerWaalsContact NH2-CD2 3.32Å; I631-L700 HydrophobicContact CD1-CD1 4.33Å; C679-L700 HydrophobicContact CB-CD2 4.47Å; I696-L700 HydrophobicContact CG2-CD1 4.19Å; I696-L700 WeakPolarHBondContact O-CG 3.45Å; I696-L700 PolarHBondContact O-N 2.73Å; V697-L700 WeakPolarHBondContact O-CA 3.34Å; V697-L700 WeakPolarHBondContact O-CB 3.45Å; V697-L700 PolarHBondContact O-N 3.13Å; E698-L700 VanDerWaalsContact C-N 3.31Å; E698-L700 PolarHBondContact O-N 2.77Å; L700-D703 PolarHBondContact O-N 3.34Å; L700-D703 VanDerWaalsContact O-N 3.16Å; L700-G704 PolarHBondContact O-N 3.32Å; L700-E705 HydrophobicContact CB-CB 4.3Å; L700-E705 WeakPolarHBondContact O-CB 3.23Å; L700-E705 PolarHBondContact O-N 3.47Å; L700-E705 VanDerWaalsContact O-N 3.09Å
701Q90Very high91.5Very high32 Ų3227.8 Ų27.815%0.1515%0.145CC..Hα-helixtrans-62.3-43.9177-60.7-176.5-58.400111.5V697 E698 D703 G704 K722 E724V697-Q701 HydrophobicContact CG1-CG 4.14Å; V697-Q701 VanDerWaalsContact O-CG 3.32Å; V697-Q701 WeakPolarHBondContact O-CG 3.38Å; V697-Q701 PolarHBondContact O-N 2.92Å; E698-Q701 WeakPolarHBondContact O-CB 3.5Å; E698-Q701 PolarHBondContact O-N 3.4Å; Q701-D703 PolarHBondContact O-N 3.18Å; Q701-G704 WeakPolarHBondContact O-CA 3.46Å; Q701-G704 PolarHBondContact O-N 3.08Å; Q701-K722 PolarHBondContact NE2-O 3.22Å; Q701-E724 WeakPolarHBondContact CG-OE1 3.48Å; Q701-E724 VanDerWaalsContact NE2-CD 3.29Å; Q701-E724 PolarHBondContact NE2-OE1 3.08Å
702E89.8Confident91.7Very high100 Ų10023.6 Ų23.647%0.46713%0.125SC..Hα-helixtrans-61.9-25.8176.4-74-175.3178.900113.5R676 E698 G704R676-E702 IonicContact CZ-OE2 3.43Å; R676-E702 IonicContact NH1-OE2 2.76Å; R676-E702 PolarHBondContact NH1-OE2 3.16Å; R676-E702 PolarHBondContact NH2-O 3.26Å; E698-E702 WeakPolarHBondContact O-CG 3.29Å; E698-E702 PolarHBondContact O-N 3Å; E702-G704 VanDerWaalsContact C-N 3.28Å
703D89.5Confident91.4Very high44 Ų4423.1 Ų23.124%0.23512%0.124CC..THydrogen-bonded Turntrans-83-4.9173.3-77.9-19.5000113.2R676 R680 F699 L700 Q701 E705R676-D703 IonicContact CZ-OD1 2.58Å; R676-D703 IonicContact NE-OD1 2.74Å; R676-D703 PolarHBondContact NE-OD1 3.39Å; R676-D703 IonicContact NH2-OD1 3.72Å; R676-D703 PolarHBondContact NH2-OD1 3.49Å; R680-D703 WeakPolarHBondContact CG-OD2 3.5Å; R680-D703 IonicContact CZ-OD1 2.89Å; R680-D703 IonicContact CZ-OD2 2.73Å; R680-D703 IonicContact NE-OD1 3.59Å; R680-D703 PolarHBondContact NE-OD1 3.45Å; R680-D703 IonicContact NE-OD2 2.93Å; R680-D703 PolarHBondContact NE-OD2 3.21Å; R680-D703 IonicContact NH2-OD1 2.66Å; R680-D703 PolarHBondContact NH2-OD1 3.06Å; R680-D703 IonicContact NH2-OD2 2.84Å; F699-D703 PolarHBondContact O-N 2.9Å; L700-D703 PolarHBondContact O-N 3.34Å; L700-D703 VanDerWaalsContact O-N 3.16Å; Q701-D703 PolarHBondContact O-N 3.18Å; D703-E705 HydrophobicContact CB-CG 4.41Å
704G88.1Confident91Very high41 Ų4123 Ų2342%0.42312%0.123SC..THydrogen-bonded Turntrans8116.7-17900000114.1L700 Q701 E702 I833L700-G704 PolarHBondContact O-N 3.32Å; Q701-G704 WeakPolarHBondContact O-CA 3.46Å; Q701-G704 PolarHBondContact O-N 3.08Å; E702-G704 VanDerWaalsContact C-N 3.28Å; G704-I833 WeakPolarHBondContact O-CD1 3.29Å
705E91.9Very high90.6Very high67 Ų6722.1 Ų22.131%0.31312%0.117SC..  trans-81.1130.7174.1-61.6-85.7-140.800109.5S346 V347 R629 L700 D703 S707S346-E705 VanDerWaalsContact CB-OE2 3.25Å; S346-E705 WeakPolarHBondContact CB-OE2 3.4Å; S346-E705 WeakPolarHBondContact OG-CA 3.35Å; S346-E705 WeakPolarHBondContact OG-CB 3.23Å; S346-E705 PolarHBondContact OG-OE2 3.36Å; V347-E705 HydrophobicContact CG2-CB 4.11Å; V347-E705 HydrophobicContact CG2-CG 4.26Å; R629-E705 IonicContact NH2-OE1 4Å; L700-E705 HydrophobicContact CB-CB 4.3Å; L700-E705 WeakPolarHBondContact O-CB 3.23Å; L700-E705 PolarHBondContact O-N 3.47Å; L700-E705 VanDerWaalsContact O-N 3.09Å; D703-E705 HydrophobicContact CB-CG 4.41Å; E705-S707 PolarHBondContact O-N 3.48Å
706V92.6Very high90.5Very high3 Ų319.4 Ų19.42%0.01811%0.105CC..  trans-77110.9168.3-177.40000108.6T341 C344 S346 V347 E724 I833T341-V706 HydrophobicContact CG2-CG1 3.9Å; C344-V706 HydrophobicContact CB-CG1 4.46Å; C344-V706 HydrophobicContact CB-CG2 3.94Å; C344-V706 WeakPolarHBondContact O-CB 3.3Å; S346-V706 PolarHBondContact N-O 3.04Å; S346-V706 PolarHBondContact OG-N 2.9Å; S346-V706 PolarHBondContact OG-O 3.3Å; V347-V706 PolarHBondContact N-O 3.34Å; V706-E724 HydrophobicContact CG1-CB 3.89Å; V706-E724 HydrophobicContact CG1-CG 4.1Å; V706-I833 HydrophobicContact CG2-CD1 3.39Å; V706-I833 HydrophobicContact CG2-CG1 3.48Å; V706-I833 VanDerWaalsContact CG2-CG1 3.48Å
707S93.6Very high90.1Very high0 Ų019.4 Ų19.40%011%0.105CC..EExtended strand (participates in β ladder)trans-98.9131.4-17670.60000111.7V347 E705 E724 I725V347-S707 WeakPolarHBondContact O-CA 3.34Å; E705-S707 PolarHBondContact O-N 3.48Å; S707-E724 WeakPolarHBondContact CA-OE2 3.39Å; S707-E724 WeakPolarHBondContact CB-OE2 3.47Å; S707-E724 PolarHBondContact N-OE2 3.34Å; S707-E724 PolarHBondContact O-N 3.38Å; S707-E724 PolarHBondContact OG-OE2 3.15Å; S707-I725 PolarHBondContact O-N 2.84Å
708A95.3Very high89.8Confident1 Ų119.4 Ų19.41%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-105.7126.9165.500000108.6T345 V347 I348 C349 I725 I727T345-A708 HydrophobicContact CG2-CB 3.69Å; V347-A708 PolarHBondContact O-N 3.37Å; I348-A708 CarbonylContact C-O 3Å; I348-A708 WeakPolarHBondContact CA-O 3.08Å; I348-A708 HydrophobicContact CG1-CB 4.29Å; C349-A708 PolarHBondContact N-O 2.84Å; A708-I725 CarbonylContact C-O 3.59Å; A708-I725 VanDerWaalsContact CA-O 3.31Å; A708-I725 WeakPolarHBondContact CA-O 3.15Å; A708-I725 HydrophobicContact CB-CB 4.16Å; A708-I727 HydrophobicContact CB-CD1 4.11Å
709M95.2Very high89.8Confident0 Ų015.6 Ų15.60%09%0.088CC..EExtended strand (participates in β ladder)trans-108.5130.4177.4-178.963.3-172.600109.5C349 I633 K693 V697 A719 L720 A723 I725 I727C349-M709 HydrophobicContact CB-SD 3.46Å; C349-M709 WeakPolarHBondContact CB-SD 3.21Å; C349-M709 CarbonylContact O-C 3.26Å; C349-M709 VanDerWaalsContact O-CA 3.29Å; C349-M709 WeakPolarHBondContact O-CA 3.36Å; I633-M709 HydrophobicContact CD1-CE 4.34Å; I633-M709 HydrophobicContact CD1-SD 4.19Å; K693-M709 HydrophobicContact CB-CE 4.11Å; K693-M709 HydrophobicContact CD-CE 3.71Å; K693-M709 HydrophobicContact CG-CE 4.34Å; V697-M709 HydrophobicContact CG2-CB 4.4Å; M709-A719 HydrophobicContact CE-CB 4.18Å; M709-A719 HydrophobicContact CG-CB 3.91Å; M709-A719 HydrophobicContact SD-CB 4.45Å; M709-L720 HydrophobicContact CB-CD2 4.45Å; M709-L720 HydrophobicContact CG-CD2 4.28Å; M709-L720 WeakPolarHBondContact O-CD2 3.28Å; M709-A723 HydrophobicContact CB-CB 3.63Å; M709-I725 PolarHBondContact N-O 3.49Å; M709-I727 PolarHBondContact O-N 3.11Å
710T93.7Very high89.7Confident0 Ų015.1 Ų15.10%09%0.086CC..EExtended strand (participates in β ladder)trans-105.3143.2172.9860000111.7I348 C349 S350 D351 T355 I727 I752I348-T710 HydrophobicContact CG2-CG2 4.24Å; C349-T710 PolarHBondContact O-N 3.44Å; S350-T710 WeakPolarHBondContact CA-OG1 3.21Å; S350-T710 WeakPolarHBondContact CB-OG1 3.5Å; S350-T710 PolarHBondContact OG-OG1 3.06Å; D351-T710 PolarHBondContact N-O 3.02Å; D351-T710 PolarHBondContact N-OG1 3.01Å; T355-T710 WeakPolarHBondContact CG2-OG1 3.37Å; T710-I727 CarbonylContact C-O 3.44Å; T710-I727 WeakPolarHBondContact CA-O 3.45Å; T710-I727 HydrophobicContact CG2-CB 4.15Å; T710-I727 HydrophobicContact CG2-CD1 4.47Å; T710-I727 HydrophobicContact CG2-CG2 4.44Å; T710-I752 HydrophobicContact CG2-CD1 3.63Å
711G89.1Confident89.3Confident0 Ų017.9 Ų17.90%010%0.098CC..EExtended strand (participates in β ladder)trans-164.6165.3177.500000113.7D716 I727 A728 M729G711-D716 WeakPolarHBondContact CA-OD2 3.32Å; G711-I727 PolarHBondContact N-O 2.92Å; G711-A728 VanDerWaalsContact O-CA 3.3Å; G711-A728 WeakPolarHBondContact O-CA 3.34Å; G711-M729 PolarHBondContact O-N 3.3Å; G711-M729 VanDerWaalsContact O-N 3.11Å
712D85.5Confident89.3Confident20 Ų2019 Ų1911%0.10710%0.102CC..  trans-129.2-22.3178.675-31.6000112.6D716 M729 G732 T733 A736D712-D716 PolarHBondContact N-OD2 2.9Å; D712-M729 HydrophobicContact CB-CB 3.92Å; D712-M729 HydrophobicContact CB-CG 3.75Å; D712-G732 WeakPolarHBondContact O-CA 3.46Å; D712-T733 WeakPolarHBondContact O-CB 3.43Å; D712-T733 WeakPolarHBondContact O-CG2 3.33Å; D712-T733 PolarHBondContact O-N 3.07Å; D712-T733 PolarHBondContact O-OG1 3.4Å; D712-A736 WeakPolarHBondContact O-CB 3.44Å
713G81.4Confident89.4Confident4 Ų414.6 Ų14.64%0.0418%0.082CC..SBendtrans-101170.3-174.300000114.8N715 D716G713-N715 WeakPolarHBondContact CA-OD1 3.2Å; G713-N715 PolarHBondContact O-N 3.46Å; G713-D716 PolarHBondContact N-OD2 3.25Å; G713-D716 VanDerWaalsContact N-OD2 3.17Å; G713-D716 PolarHBondContact O-N 2.98Å; G713-D716 VanDerWaalsContact O-N 3.16Å
714V83.9Confident89.5Confident0 Ų014.7 Ų14.70%08%0.081CC..G310 helixtrans-65.7-30.8175.2172.60000111L119 Y122 I179 I235 D716 A717 V735L119-V714 HydrophobicContact CD2-CG1 3.54Å; Y122-V714 HydrophobicContact CD2-CG2 4.45Å; Y122-V714 HydrophobicContact CE2-CG2 3.96Å; I179-V714 HydrophobicContact CB-CB 4.27Å; I179-V714 HydrophobicContact CB-CG2 4.21Å; I179-V714 HydrophobicContact CG2-CG2 4.33Å; I179-V714 VanDerWaalsContact O-CB 3.31Å; I179-V714 WeakPolarHBondContact O-CB 3.45Å; I179-V714 PolarHBondContact O-N 3.04Å; I235-V714 HydrophobicContact CD1-CG1 4.35Å; I235-V714 HydrophobicContact CG2-CG1 4.19Å; V714-D716 PolarHBondContact O-N 3.35Å; V714-A717 VanDerWaalsContact O-CB 3.3Å; V714-A717 WeakPolarHBondContact O-CB 2.98Å; V714-A717 PolarHBondContact O-N 3.49Å; V714-A717 VanDerWaalsContact O-N 3.16Å; V714-V735 HydrophobicContact CB-CG1 4.48Å; V714-V735 HydrophobicContact CG1-CG1 4.29Å; V714-V735 HydrophobicContact CG2-CB 3.92Å; V714-V735 HydrophobicContact CG2-CG1 4.14Å; V714-V735 HydrophobicContact CG2-CG2 4.12Å
715N82.4Confident89.7Confident5 Ų512.7 Ų12.73%0.0276%0.061CC..G310 helixtrans-60.3-21.1173.157-65.5000114.4I179 L180 P690 G713I179-N715 PolarHBondContact O-N 2.92Å; I179-N715 PolarHBondContact O-OD1 3.34Å; L180-N715 WeakPolarHBondContact O-CB 3.35Å; P690-N715 HydrophobicContact CB-CB 4.32Å; P690-N715 WeakPolarHBondContact CB-O 3.47Å; P690-N715 HydrophobicContact CG-CB 3.87Å; G713-N715 WeakPolarHBondContact CA-OD1 3.2Å; G713-N715 PolarHBondContact O-N 3.46Å
716D88.5Confident89.7Confident0 Ų09.5 Ų9.50%05%0.046CC..G310 helixtrans-90.4-18.2179.5-57.4-38.6000112.2K693 G711 D712 G713 V714 P718 A719 L720K693-D716 VanDerWaalsContact CD-OD1 3.28Å; K693-D716 WeakPolarHBondContact CD-OD1 3.48Å; K693-D716 WeakPolarHBondContact CE-OD1 3.41Å; K693-D716 IonicContact NZ-OD1 3.23Å; K693-D716 PolarHBondContact NZ-OD1 3.02Å; G711-D716 WeakPolarHBondContact CA-OD2 3.32Å; D712-D716 PolarHBondContact N-OD2 2.9Å; G713-D716 PolarHBondContact N-OD2 3.25Å; G713-D716 VanDerWaalsContact N-OD2 3.17Å; G713-D716 PolarHBondContact O-N 2.98Å; G713-D716 VanDerWaalsContact O-N 3.16Å; V714-D716 PolarHBondContact O-N 3.35Å; D716-P718 VanDerWaalsContact C-CD 3.5Å; D716-A719 PolarHBondContact O-N 3.42Å; D716-L720 HydrophobicContact CB-CD1 3.87Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.47Å; D716-L720 WeakPolarHBondContact O-CG 3.4Å; D716-L720 PolarHBondContact O-N 3Å
717A87.4Confident89.9Confident0 Ų09.4 Ų9.40%05%0.045CC..Hα-helixtrans-55.5-41-171.800000114.3M239 V714 K721 V735 A739M239-A717 HydrophobicContact CE-CB 3.98Å; M239-A717 HydrophobicContact CG-CB 4.44Å; M239-A717 HydrophobicContact SD-CB 3.5Å; M239-A717 VanDerWaalsContact SD-CB 3.5Å; V714-A717 VanDerWaalsContact O-CB 3.3Å; V714-A717 WeakPolarHBondContact O-CB 2.98Å; V714-A717 PolarHBondContact O-N 3.49Å; V714-A717 VanDerWaalsContact O-N 3.16Å; A717-K721 WeakPolarHBondContact O-CB 3.48Å; A717-K721 PolarHBondContact O-N 2.9Å; A717-V735 HydrophobicContact CB-CG1 3.78Å; A717-A739 HydrophobicContact CB-CB 3.86Å
718P87.7Confident89.8Confident1 Ų19.4 Ų9.41%0.0065%0.045CC..Hα-helixtrans-63.3-42.2174.7-23.235.5000112.6I235 Q238 M239 D716 K722I235-P718 HydrophobicContact CB-CG 4.41Å; I235-P718 HydrophobicContact CG2-CG 3.76Å; Q238-P718 HydrophobicContact CB-CB 4.15Å; Q238-P718 HydrophobicContact CB-CG 4.39Å; M239-P718 HydrophobicContact CG-CG 4.28Å; D716-P718 VanDerWaalsContact C-CD 3.5Å; P718-K722 VanDerWaalsContact O-CB 3.23Å; P718-K722 WeakPolarHBondContact O-CB 3.49Å; P718-K722 PolarHBondContact O-N 3.34Å
719A91.5Very high89.6Confident0 Ų09.3 Ų9.30%05%0.045CC..Hα-helixtrans-73.4-36.1-179.600000112.2K693 M709 D716 K722 A723K693-A719 HydrophobicContact CB-CB 3.52Å; M709-A719 HydrophobicContact CE-CB 4.18Å; M709-A719 HydrophobicContact CG-CB 3.91Å; M709-A719 HydrophobicContact SD-CB 4.45Å; D716-A719 PolarHBondContact O-N 3.42Å; A719-K722 PolarHBondContact O-N 3.18Å; A719-A723 WeakPolarHBondContact O-CB 3.32Å; A719-A723 PolarHBondContact O-N 3.2Å
720L91.6Very high89.1Confident0 Ų010.3 Ų10.30%06%0.055CC..Hα-helixtrans-61.1-45.6173.7-72.7171.5000111.2M709 D716 G726 I727 A736 A739 A740M709-L720 HydrophobicContact CB-CD2 4.45Å; M709-L720 HydrophobicContact CG-CD2 4.28Å; M709-L720 WeakPolarHBondContact O-CD2 3.28Å; D716-L720 HydrophobicContact CB-CD1 3.87Å; D716-L720 HydrophobicContact CB-CG 4.09Å; D716-L720 WeakPolarHBondContact O-CB 3.47Å; D716-L720 WeakPolarHBondContact O-CG 3.4Å; D716-L720 PolarHBondContact O-N 3Å; L720-G726 VanDerWaalsContact O-CA 3.24Å; L720-G726 WeakPolarHBondContact O-CA 3.42Å; L720-G726 PolarHBondContact O-N 2.98Å; L720-I727 WeakPolarHBondContact CD2-O 3.41Å; L720-A736 HydrophobicContact CD1-CB 3.93Å; L720-A739 HydrophobicContact CB-CB 4.15Å; L720-A740 HydrophobicContact CD2-CB 4.5Å
721K87.5Confident88.6Confident58 Ų5814.1 Ų14.125%0.2528%0.081SC..Hα-helixtrans-71.7-30.9178.5-170.8173.7179.1-174.90112.8M239 T242 A717M239-K721 HydrophobicContact CB-CD 4.32Å; M239-K721 WeakPolarHBondContact O-CD 3.32Å; M239-K721 WeakPolarHBondContact O-CE 2.96Å; M239-K721 PolarHBondContact O-NZ 2.89Å; T242-K721 HydrophobicContact CG2-CG 4.18Å; T242-K721 WeakPolarHBondContact O-CE 3.44Å; A717-K721 WeakPolarHBondContact O-CB 3.48Å; A717-K721 PolarHBondContact O-N 2.9Å
722K89.7Confident88.1Confident56 Ų5614.6 Ų14.624%0.2439%0.086CC..Hα-helixtrans-77-36.9-179.3-172.565.9177.8176.10112.6T242 V697 Q701 P718 A719T242-K722 HydrophobicContact CG2-CB 4.01Å; T242-K722 HydrophobicContact CG2-CD 3.6Å; T242-K722 HydrophobicContact CG2-CG 4.43Å; V697-K722 HydrophobicContact CG1-CB 4.26Å; V697-K722 HydrophobicContact CG1-CG 3.96Å; Q701-K722 PolarHBondContact NE2-O 3.22Å; P718-K722 VanDerWaalsContact O-CB 3.23Å; P718-K722 WeakPolarHBondContact O-CB 3.49Å; P718-K722 PolarHBondContact O-N 3.34Å; A719-K722 PolarHBondContact O-N 3.18Å
723A91.8Very high88Confident6 Ų615 Ų155%0.059%0.09CC..SBendtrans-62.6150.9179.500000110.9V697 M709 A719 I725V697-A723 HydrophobicContact CG1-CB 3.98Å; V697-A723 HydrophobicContact CG2-CB 4.4Å; M709-A723 HydrophobicContact CB-CB 3.63Å; A719-A723 WeakPolarHBondContact O-CB 3.32Å; A719-A723 PolarHBondContact O-N 3.2Å; A723-I725 PolarHBondContact O-N 3.27Å; A723-I725 VanDerWaalsContact O-N 3.09Å
724E90.5Very high88Confident46 Ų4616.6 Ų16.622%0.21510%0.103CC..SBendtrans-57.1-26.6172.1-73.673-155.500111.9T341 Q701 V706 S707T341-E724 HydrophobicContact CG2-CB 3.78Å; Q701-E724 WeakPolarHBondContact CG-OE1 3.48Å; Q701-E724 VanDerWaalsContact NE2-CD 3.29Å; Q701-E724 PolarHBondContact NE2-OE1 3.08Å; V706-E724 HydrophobicContact CG1-CB 3.89Å; V706-E724 HydrophobicContact CG1-CG 4.1Å; S707-E724 WeakPolarHBondContact CA-OE2 3.39Å; S707-E724 WeakPolarHBondContact CB-OE2 3.47Å; S707-E724 PolarHBondContact N-OE2 3.34Å; S707-E724 PolarHBondContact O-N 3.38Å; S707-E724 PolarHBondContact OG-OE2 3.15Å
725I92.2Very high87.9Confident0 Ų016.6 Ų16.60%010%0.103CC..EExtended strand (participates in β ladder)trans-141.2105.2176.2-47.6178000109.9T341 L342 T345 S707 A708 M709 A723 I727T341-I725 HydrophobicContact CG2-CD1 3.86Å; T341-I725 HydrophobicContact CG2-CG1 3.62Å; L342-I725 HydrophobicContact CB-CD1 3.92Å; L342-I725 HydrophobicContact CD1-CD1 3.78Å; L342-I725 HydrophobicContact CD1-CG2 3.55Å; L342-I725 HydrophobicContact CG-CD1 3.7Å; L342-I725 HydrophobicContact CG-CG2 4.4Å; T345-I725 WeakPolarHBondContact OG1-CD1 3.42Å; S707-I725 PolarHBondContact O-N 2.84Å; A708-I725 CarbonylContact C-O 3.59Å; A708-I725 VanDerWaalsContact CA-O 3.31Å; A708-I725 WeakPolarHBondContact CA-O 3.15Å; A708-I725 HydrophobicContact CB-CB 4.16Å; M709-I725 PolarHBondContact N-O 3.49Å; A723-I725 PolarHBondContact O-N 3.27Å; A723-I725 VanDerWaalsContact O-N 3.09Å; I725-I727 HydrophobicContact CG2-CD1 4.33Å; I725-I727 HydrophobicContact CG2-CG1 3.88Å
726G93.4Very high88.1Confident0 Ų016.4 Ų16.40%010%0.101CC..EExtended strand (participates in β ladder)trans-77.7128.4164.700000111.1L720 A740 D741 M742L720-G726 VanDerWaalsContact O-CA 3.24Å; L720-G726 WeakPolarHBondContact O-CA 3.42Å; L720-G726 PolarHBondContact O-N 2.98Å; G726-A740 CarbonylContact O-C 3.59Å; G726-A740 WeakPolarHBondContact O-CB 3.46Å; G726-D741 PolarHBondContact N-OD2 3.35Å; G726-D741 PolarHBondContact O-N 3.38Å; G726-M742 PolarHBondContact O-N 3.4Å
727I95.1Very high88.1Confident0 Ų019.1 Ų19.10%011%0.113CC..EExtended strand (participates in β ladder)trans-120.6114.2177.1-54.3-179.3000109.7A708 M709 T710 G711 L720 I725 M742 L744 I752A708-I727 HydrophobicContact CB-CD1 4.11Å; M709-I727 PolarHBondContact O-N 3.11Å; T710-I727 CarbonylContact C-O 3.44Å; T710-I727 WeakPolarHBondContact CA-O 3.45Å; T710-I727 HydrophobicContact CG2-CB 4.15Å; T710-I727 HydrophobicContact CG2-CD1 4.47Å; T710-I727 HydrophobicContact CG2-CG2 4.44Å; G711-I727 PolarHBondContact N-O 2.92Å; L720-I727 WeakPolarHBondContact CD2-O 3.41Å; I725-I727 HydrophobicContact CG2-CD1 4.33Å; I725-I727 HydrophobicContact CG2-CG1 3.88Å; I727-M742 CarbonylContact C-O 3.55Å; I727-M742 WeakPolarHBondContact CA-O 3.33Å; I727-M742 HydrophobicContact CG1-CB 4.44Å; I727-L744 HydrophobicContact CG2-CD1 3.82Å; I727-L744 HydrophobicContact CG2-CD2 3.99Å; I727-L744 HydrophobicContact CG2-CG 3.67Å; I727-I752 HydrophobicContact CD1-CD1 4.14Å; I727-I752 HydrophobicContact CD1-CG1 4.15Å; I727-I752 HydrophobicContact CD1-CG2 3.8Å; I727-I752 HydrophobicContact CG2-CD1 4.29Å; I727-I752 HydrophobicContact CG2-CG1 4.33Å
728A92.5Very high87.9Confident0 Ų020.1 Ų20.10%012%0.12CC..EExtended strand (participates in β ladder)trans-100.2149.117700000112.8G711 A736 K737 A740 M742 V743 L744G711-A728 VanDerWaalsContact O-CA 3.3Å; G711-A728 WeakPolarHBondContact O-CA 3.34Å; A728-A736 HydrophobicContact CB-CB 4.32Å; A728-A736 WeakPolarHBondContact CB-O 3.47Å; A728-K737 HydrophobicContact CB-CB 4.32Å; A728-K737 HydrophobicContact CB-CG 3.85Å; A728-A740 HydrophobicContact CB-CB 3.54Å; A728-M742 PolarHBondContact N-O 2.84Å; A728-V743 HydrophobicContact CB-CG2 4.39Å; A728-V743 CarbonylContact O-C 3.58Å; A728-V743 WeakPolarHBondContact O-CA 3.5Å; A728-L744 PolarHBondContact O-N 2.67Å
729M90.2Very high87.8Confident0 Ų020.5 Ų20.50%012%0.123CC..EExtended strand (participates in β ladder)trans-72.8140.3169.4-53.4-49.1-68.100110.6T355 G711 D712 S731 G732 L744 D747T355-M729 HydrophobicContact CG2-CE 4.13Å; T355-M729 HydrophobicContact CG2-SD 3.57Å; T355-M729 VanDerWaalsContact CG2-SD 3.57Å; T355-M729 WeakPolarHBondContact OG1-CG 3.35Å; T355-M729 PolarHBondContact OG1-SD 3.35Å; T355-M729 VanDerWaalsContact OG1-SD 3.37Å; G711-M729 PolarHBondContact O-N 3.3Å; G711-M729 VanDerWaalsContact O-N 3.11Å; D712-M729 HydrophobicContact CB-CB 3.92Å; D712-M729 HydrophobicContact CB-CG 3.75Å; M729-S731 VanDerWaalsContact C-N 3.3Å; M729-S731 PolarHBondContact O-N 3.07Å; M729-G732 WeakPolarHBondContact O-CA 3.46Å; M729-G732 PolarHBondContact O-N 3.2Å; M729-L744 HydrophobicContact CE-CD1 4.45Å; M729-L744 HydrophobicContact SD-CD1 4.11Å; M729-D747 VanDerWaalsContact CE-C 3.42Å; M729-D747 HydrophobicContact CE-CB 3.38Å; M729-D747 VanDerWaalsContact CE-O 3.29Å; M729-D747 WeakPolarHBondContact CE-O 3.38Å
730G86.6Confident87.7Confident21 Ų2120.8 Ų20.822%0.21613%0.126CC..THydrogen-bonded Turntrans-61.1-39.6174.900000111.7G732 K737 L744 D747G730-G732 PolarHBondContact O-N 3.37Å; G730-K737 PolarHBondContact O-NZ 3.48Å; G730-L744 WeakPolarHBondContact CA-O 3.45Å; G730-L744 PolarHBondContact N-O 2.86Å; G730-D747 WeakPolarHBondContact CA-OD1 3.23Å; G730-D747 PolarHBondContact N-OD1 3.34Å
731S82.1Confident87.6Confident79 Ų7922.5 Ų22.555%0.55214%0.135SC*.THydrogen-bonded Turntrans-73.7-7.5170.3710000114.2M729 D747M729-S731 VanDerWaalsContact C-N 3.3Å; M729-S731 PolarHBondContact O-N 3.07Å; S731-D747 WeakPolarHBondContact CB-OD2 3.45Å; S731-D747 PolarHBondContact N-OD1 2.73Å; S731-D747 PolarHBondContact OG-OD2 2.78Å; S731-D747 VanDerWaalsContact OG-OD2 3.06Å
732G79.8Confident87.8Confident10 Ų1019.7 Ų19.710%0.10312%0.123CC..SBendtrans-68.3175.4-177.600000113.6D712 M729 G730 K737D712-G732 WeakPolarHBondContact O-CA 3.46Å; M729-G732 WeakPolarHBondContact O-CA 3.46Å; M729-G732 PolarHBondContact O-N 3.2Å; G730-G732 PolarHBondContact O-N 3.37Å; G732-K737 WeakPolarHBondContact O-CE 3.49Å; G732-K737 PolarHBondContact O-NZ 3.12Å
733T81.8Confident87.9Confident30 Ų3017.7 Ų17.718%0.18412%0.115CC..  trans-63.4152.4176.261.10000111.6Y122 D712 V735 A736 K737Y122-T733 WeakPolarHBondContact OH-CB 3.5Å; Y122-T733 WeakPolarHBondContact OH-CG2 3.4Å; D712-T733 WeakPolarHBondContact O-CB 3.43Å; D712-T733 WeakPolarHBondContact O-CG2 3.33Å; D712-T733 PolarHBondContact O-N 3.07Å; D712-T733 PolarHBondContact O-OG1 3.4Å; T733-V735 PolarHBondContact O-N 3.46Å; T733-A736 PolarHBondContact O-N 3.42Å; T733-A736 WeakPolarHBondContact OG1-CB 3.48Å; T733-A736 PolarHBondContact OG1-N 3.01Å; T733-K737 VanDerWaalsContact O-CE 3.32Å; T733-K737 WeakPolarHBondContact O-CE 3.3Å; T733-K737 PolarHBondContact O-N 3.2Å; T733-K737 VanDerWaalsContact O-N 3.09Å
734A81.6Confident88Confident37 Ų3717.4 Ų17.431%0.30611%0.113SC..Hα-helixtrans-61-31.4176.200000112.2A118 S738A118-A734 HydrophobicContact CB-CB 4.33Å; A734-S738 WeakPolarHBondContact O-CB 3.37Å; A734-S738 PolarHBondContact O-N 2.81Å; A734-S738 PolarHBondContact O-OG 3.43Å
735V83.2Confident87.9Confident0 Ų017.7 Ų17.70%012%0.123CC..Hα-helixtrans-66.8-51.1176.2174.40000111.2A118 L119 Y122 V714 A717 T733 K737 S738 A739A118-V735 VanDerWaalsContact C-CG2 3.5Å; A118-V735 HydrophobicContact CB-CG2 3.9Å; A118-V735 WeakPolarHBondContact O-CG2 3.45Å; L119-V735 HydrophobicContact CB-CG2 4.34Å; L119-V735 HydrophobicContact CD1-CG1 4.44Å; L119-V735 HydrophobicContact CD2-CB 4.49Å; L119-V735 HydrophobicContact CD2-CG1 3.83Å; L119-V735 HydrophobicContact CD2-CG2 3.89Å; L119-V735 HydrophobicContact CG-CB 4.48Å; L119-V735 HydrophobicContact CG-CG1 3.78Å; L119-V735 HydrophobicContact CG-CG2 3.79Å; Y122-V735 HydrophobicContact CD2-CG2 4.11Å; Y122-V735 HydrophobicContact CE2-CG2 3.61Å; V714-V735 HydrophobicContact CB-CG1 4.48Å; V714-V735 HydrophobicContact CG1-CG1 4.29Å; V714-V735 HydrophobicContact CG2-CB 3.92Å; V714-V735 HydrophobicContact CG2-CG1 4.14Å; V714-V735 HydrophobicContact CG2-CG2 4.12Å; A717-V735 HydrophobicContact CB-CG1 3.78Å; T733-V735 PolarHBondContact O-N 3.46Å; V735-K737 VanDerWaalsContact C-N 3.31Å; V735-K737 PolarHBondContact O-N 3.2Å; V735-S738 PolarHBondContact O-N 3.27Å; V735-A739 PolarHBondContact O-N 2.82Å
736A86.5Confident87.7Confident0 Ų020.2 Ų20.20%014%0.136CC..Hα-helixtrans-57-47.3176.400000111D712 L720 A728 T733 S738 A739 A740D712-A736 WeakPolarHBondContact O-CB 3.44Å; L720-A736 HydrophobicContact CD1-CB 3.93Å; A728-A736 HydrophobicContact CB-CB 4.32Å; A728-A736 WeakPolarHBondContact CB-O 3.47Å; T733-A736 PolarHBondContact O-N 3.42Å; T733-A736 WeakPolarHBondContact OG1-CB 3.48Å; T733-A736 PolarHBondContact OG1-N 3.01Å; A736-S738 PolarHBondContact O-N 3.05Å; A736-S738 VanDerWaalsContact O-N 3.16Å; A736-A739 PolarHBondContact O-N 2.94Å; A736-A740 VanDerWaalsContact O-CB 3.3Å; A736-A740 WeakPolarHBondContact O-CB 3.35Å; A736-A740 PolarHBondContact O-N 2.97Å
737K87.5Confident87.3Confident58 Ų5821.4 Ų21.425%0.25214%0.143SC..Hα-helixtrans-60.1-25.5176.9-78.5-179.5-78.2-156.70114.3R334 A728 G730 G732 T733 V735 V743R334-K737 VanDerWaalsContact CD-O 3.23Å; R334-K737 WeakPolarHBondContact CD-O 3.38Å; R334-K737 PolarHBondContact NH1-O 3.38Å; A728-K737 HydrophobicContact CB-CB 4.32Å; A728-K737 HydrophobicContact CB-CG 3.85Å; G730-K737 PolarHBondContact O-NZ 3.48Å; G732-K737 WeakPolarHBondContact O-CE 3.49Å; G732-K737 PolarHBondContact O-NZ 3.12Å; T733-K737 VanDerWaalsContact O-CE 3.32Å; T733-K737 WeakPolarHBondContact O-CE 3.3Å; T733-K737 PolarHBondContact O-N 3.2Å; T733-K737 VanDerWaalsContact O-N 3.09Å; V735-K737 VanDerWaalsContact C-N 3.31Å; V735-K737 PolarHBondContact O-N 3.2Å; K737-V743 HydrophobicContact CB-CG2 4.14Å; K737-V743 HydrophobicContact CD-CG1 3.88Å; K737-V743 HydrophobicContact CG-CG1 3.85Å; K737-V743 HydrophobicContact CG-CG2 3.97Å
738S82.9Confident86.8Confident20 Ų2022.9 Ų22.914%0.1415%0.151CC..Hα-helixtrans-94.5-26.8179.9-55.60000114.1S114 A115 R334 A734 V735 A736 A740S114-S738 PolarHBondContact OG-OG 2.82Å; A115-S738 VanDerWaalsContact CA-CB 3.4Å; A115-S738 VanDerWaalsContact CB-C 3.49Å; A115-S738 WeakPolarHBondContact CB-O 3.48Å; R334-S738 PolarHBondContact NH1-OG 3.21Å; A734-S738 WeakPolarHBondContact O-CB 3.37Å; A734-S738 PolarHBondContact O-N 2.81Å; A734-S738 PolarHBondContact O-OG 3.43Å; V735-S738 PolarHBondContact O-N 3.27Å; A736-S738 PolarHBondContact O-N 3.05Å; A736-S738 VanDerWaalsContact O-N 3.16Å; S738-A740 VanDerWaalsContact C-N 3.27Å
739A85.6Confident86.6Confident9 Ų922.9 Ų22.97%0.07415%0.151CC..Hα-helixtrans-75.2-17.1168.800000113.1M239 A717 L720 V735 A736M239-A739 HydrophobicContact CE-CB 3.84Å; A717-A739 HydrophobicContact CB-CB 3.86Å; L720-A739 HydrophobicContact CB-CB 4.15Å; V735-A739 PolarHBondContact O-N 2.82Å; A736-A739 PolarHBondContact O-N 2.94Å
740A89.7Confident86.6Confident6 Ų625 Ų255%0.0516%0.162CC..  trans-93.2146.2-177.100000113.5R334 L720 G726 A728 A736 S738R334-A740 WeakPolarHBondContact CD-O 3.5Å; L720-A740 HydrophobicContact CD2-CB 4.5Å; G726-A740 CarbonylContact O-C 3.59Å; G726-A740 WeakPolarHBondContact O-CB 3.46Å; A728-A740 HydrophobicContact CB-CB 3.54Å; A736-A740 VanDerWaalsContact O-CB 3.3Å; A736-A740 WeakPolarHBondContact O-CB 3.35Å; A736-A740 PolarHBondContact O-N 2.97Å; S738-A740 VanDerWaalsContact C-N 3.27Å
741D89.1Confident86.9Confident36 Ų3624.2 Ų24.219%0.19315%0.153CC..SBendtrans-75.9-26.3170.9-60.2-78.5000113.3R334 S338 G726R334-D741 WeakPolarHBondContact CB-O 3.08Å; R334-D741 PolarHBondContact N-O 3.09Å; S338-D741 WeakPolarHBondContact OG-CB 3.3Å; S338-D741 PolarHBondContact OG-OD1 2.93Å; S338-D741 VanDerWaalsContact OG-OD1 3.12Å; G726-D741 PolarHBondContact N-OD2 3.35Å; G726-D741 PolarHBondContact O-N 3.38Å
742M91.8Very high87.5Confident0 Ų020.5 Ų20.50%013%0.127CC..EExtended strand (participates in β ladder)trans-134.5144.1-178.1179.7-179.5-77.500111M326 A331 I332 V333 L342 G726 I727 A728 L744 A755M326-M742 HydrophobicContact SD-CE 4.01Å; A331-M742 HydrophobicContact CB-CE 4.16Å; A331-M742 HydrophobicContact CB-CG 4.48Å; A331-M742 HydrophobicContact CB-SD 3.95Å; I332-M742 CarbonylContact O-C 3.57Å; I332-M742 WeakPolarHBondContact O-CA 3.37Å; V333-M742 HydrophobicContact CG2-CE 3.7Å; L342-M742 HydrophobicContact CD1-CE 3.24Å; L342-M742 HydrophobicContact CD1-SD 4.05Å; L342-M742 HydrophobicContact CD2-CE 3.74Å; L342-M742 HydrophobicContact CD2-SD 4.33Å; L342-M742 HydrophobicContact CG-CE 4.16Å; G726-M742 PolarHBondContact O-N 3.4Å; I727-M742 CarbonylContact C-O 3.55Å; I727-M742 WeakPolarHBondContact CA-O 3.33Å; I727-M742 HydrophobicContact CG1-CB 4.44Å; A728-M742 PolarHBondContact N-O 2.84Å; M742-L744 HydrophobicContact CG-CD2 4.49Å; M742-L744 HydrophobicContact SD-CD2 4.2Å; M742-A755 HydrophobicContact CE-CB 3.74Å; M742-A755 HydrophobicContact SD-CB 4.07Å
743V92.7Very high88.1Confident13 Ų1320.1 Ų20.18%0.07912%0.123CC..EExtended strand (participates in β ladder)trans-122.8127.6174.6-176.40000110I332 A728 K737 A745I332-V743 HydrophobicContact CB-CB 4.34Å; I332-V743 PolarHBondContact N-O 3.29Å; I332-V743 PolarHBondContact O-N 3.29Å; A728-V743 HydrophobicContact CB-CG2 4.39Å; A728-V743 CarbonylContact O-C 3.58Å; A728-V743 WeakPolarHBondContact O-CA 3.5Å; K737-V743 HydrophobicContact CB-CG2 4.14Å; K737-V743 HydrophobicContact CD-CG1 3.88Å; K737-V743 HydrophobicContact CG-CG1 3.85Å; K737-V743 HydrophobicContact CG-CG2 3.97Å; V743-A745 PolarHBondContact O-N 2.78Å
744L92.7Very high88.6Confident0 Ų020.7 Ų20.70%012%0.124CC..EExtended strand (participates in β ladder)trans-86.5103.4176.3-54.7-179.7000109.9N330 I727 A728 M729 G730 M742 D746 D747 I752N330-L744 CarbonylContact O-C 3.54Å; I727-L744 HydrophobicContact CG2-CD1 3.82Å; I727-L744 HydrophobicContact CG2-CD2 3.99Å; I727-L744 HydrophobicContact CG2-CG 3.67Å; A728-L744 PolarHBondContact O-N 2.67Å; M729-L744 HydrophobicContact CE-CD1 4.45Å; M729-L744 HydrophobicContact SD-CD1 4.11Å; G730-L744 WeakPolarHBondContact CA-O 3.45Å; G730-L744 PolarHBondContact N-O 2.86Å; M742-L744 HydrophobicContact CG-CD2 4.49Å; M742-L744 HydrophobicContact SD-CD2 4.2Å; L744-D746 PolarHBondContact O-N 3.3Å; L744-D747 PolarHBondContact O-N 2.79Å; L744-I752 HydrophobicContact CD1-CD1 3.9Å; L744-I752 HydrophobicContact CD1-CG1 3.6Å; L744-I752 HydrophobicContact CD2-CG1 4.01Å; L744-I752 HydrophobicContact CG-CG1 4.4Å
745A88.8Confident89.1Confident53 Ų5319 Ų1944%0.43811%0.111SC..THydrogen-bonded Turntrans-64.4-24.2-175.100000113.8N330 I332 V743N330-A745 HydrophobicContact CB-CB 4.21Å; N330-A745 PolarHBondContact O-N 3.05Å; I332-A745 HydrophobicContact CD1-CB 3.96Å; I332-A745 HydrophobicContact CG1-CB 4.32Å; V743-A745 PolarHBondContact O-N 2.78Å
746D87.8Confident89.6Confident52 Ų5219 Ų1928%0.27811%0.111SC..THydrogen-bonded Turntrans-107.55.5-178.264.8-10000114.1N330 L744 N748 S751N330-D746 HydrophobicContact CB-CB 3.94Å; N330-D746 VanDerWaalsContact CB-CG 3.43Å; N330-D746 PolarHBondContact ND2-OD2 3.19Å; L744-D746 PolarHBondContact O-N 3.3Å; D746-N748 HydrophobicContact CB-CB 4.47Å; D746-N748 VanDerWaalsContact CG-CB 3.49Å; D746-N748 PolarHBondContact O-N 2.99Å; D746-N748 VanDerWaalsContact O-N 3.14Å; D746-N748 WeakPolarHBondContact OD1-CB 3.3Å; D746-N748 PolarHBondContact OD1-N 3.42Å; D746-N748 WeakPolarHBondContact OD2-CB 3.29Å; D746-S751 PolarHBondContact OD1-OG 3.37Å; D746-S751 PolarHBondContact OD2-OG 3.46Å; D746-S751 VanDerWaalsContact OD2-OG 3.05Å
747D85.3Confident89.9Confident26 Ų2621.4 Ų21.414%0.13912%0.122CC..  trans53.228.6-175.8-54.9-38.5000114.3R613 M729 G730 S731 L744R613-D747 PolarHBondContact NE-O 2.87Å; R613-D747 PolarHBondContact NH1-O 3.06Å; R613-D747 PolarHBondContact NH2-O 3.28Å; M729-D747 VanDerWaalsContact CE-C 3.42Å; M729-D747 HydrophobicContact CE-CB 3.38Å; M729-D747 VanDerWaalsContact CE-O 3.29Å; M729-D747 WeakPolarHBondContact CE-O 3.38Å; G730-D747 WeakPolarHBondContact CA-OD1 3.23Å; G730-D747 PolarHBondContact N-OD1 3.34Å; S731-D747 WeakPolarHBondContact CB-OD2 3.45Å; S731-D747 PolarHBondContact N-OD1 2.73Å; S731-D747 PolarHBondContact OG-OD2 2.78Å; S731-D747 VanDerWaalsContact OG-OD2 3.06Å; L744-D747 PolarHBondContact O-N 2.79Å
748N85.1Confident90.1Very high30 Ų3019.5 Ų19.516%0.1611%0.114CC..  trans-104.3123.3-173.5-168-19000112E615 D746 N750 S751E615-N748 WeakPolarHBondContact CG-OD1 3.37Å; D746-N748 HydrophobicContact CB-CB 4.47Å; D746-N748 VanDerWaalsContact CG-CB 3.49Å; D746-N748 PolarHBondContact O-N 2.99Å; D746-N748 VanDerWaalsContact O-N 3.14Å; D746-N748 WeakPolarHBondContact OD1-CB 3.3Å; D746-N748 PolarHBondContact OD1-N 3.42Å; D746-N748 WeakPolarHBondContact OD2-CB 3.29Å; N748-N750 PolarHBondContact O-N 2.8Å; N748-N750 WeakPolarHBondContact OD1-CB 3.1Å; N748-N750 PolarHBondContact OD1-N 2.91Å; N748-S751 VanDerWaalsContact O-CB 3.23Å; N748-S751 WeakPolarHBondContact O-CB 3.2Å; N748-S751 PolarHBondContact O-N 3.5Å; N748-S751 PolarHBondContact O-OG 2.92Å
749F89Confident90.6Very high0 Ų018.6 Ų18.60%011%0.107CC..Hα-helixtrans-59.4-30.3175.6-170.1-88.7000112.8I348 L356 V616 I620 V630 S751 I752 V753I348-F749 HydrophobicContact CD1-CZ 4.41Å; I348-F749 HydrophobicContact CG2-CE2 4.02Å; I348-F749 HydrophobicContact CG2-CZ 4.13Å; L356-F749 HydrophobicContact CD2-CD2 3.64Å; L356-F749 HydrophobicContact CD2-CE2 3.88Å; L356-F749 HydrophobicContact CD2-CG 4.18Å; V616-F749 HydrophobicContact CG2-CB 3.85Å; V616-F749 HydrophobicContact CG2-CG 4.48Å; I620-F749 HydrophobicContact CG1-CE1 4.23Å; V630-F749 HydrophobicContact CG1-CZ 4.33Å; V630-F749 HydrophobicContact CG2-CZ 4.45Å; F749-S751 PolarHBondContact O-N 3.15Å; F749-I752 HydrophobicContact CD2-CD1 3.76Å; F749-I752 HydrophobicContact CE2-CD1 3.97Å; F749-I752 HydrophobicContact CG-CD1 4.36Å; F749-I752 VanDerWaalsContact O-CB 3.3Å; F749-I752 WeakPolarHBondContact O-CB 3.15Å; F749-I752 PolarHBondContact O-N 2.89Å; F749-I752 VanDerWaalsContact O-N 3.08Å; F749-V753 HydrophobicContact CE1-CG2 4.41Å
750N89.7Confident90.8Very high46 Ų4619 Ų1925%0.24611%0.107CC..Hα-helixtrans-61.8-29.5175.5-177.356000112.3S619 N748 I752 V753 L754S619-N750 WeakPolarHBondContact OG-CA 3.36Å; S619-N750 WeakPolarHBondContact OG-CB 3.48Å; N748-N750 PolarHBondContact O-N 2.8Å; N748-N750 WeakPolarHBondContact OD1-CB 3.1Å; N748-N750 PolarHBondContact OD1-N 2.91Å; N750-I752 PolarHBondContact O-N 2.91Å; N750-V753 WeakPolarHBondContact O-CB 3.46Å; N750-V753 PolarHBondContact O-N 2.85Å; N750-V753 VanDerWaalsContact O-N 3.11Å; N750-L754 WeakPolarHBondContact O-CG 3.33Å; N750-L754 PolarHBondContact O-N 2.62Å
751S92.6Very high90.8Very high3 Ų318.9 Ų18.92%0.02111%0.106CC..Hα-helixtrans-63.2-31176.2-55.90000111.6D746 N748 F749 L754 A755D746-S751 PolarHBondContact OD1-OG 3.37Å; D746-S751 PolarHBondContact OD2-OG 3.46Å; D746-S751 VanDerWaalsContact OD2-OG 3.05Å; N748-S751 VanDerWaalsContact O-CB 3.23Å; N748-S751 WeakPolarHBondContact O-CB 3.2Å; N748-S751 PolarHBondContact O-N 3.5Å; N748-S751 PolarHBondContact O-OG 2.92Å; F749-S751 PolarHBondContact O-N 3.15Å; S751-L754 PolarHBondContact O-N 2.85Å; S751-A755 VanDerWaalsContact O-CB 3.29Å; S751-A755 WeakPolarHBondContact O-CB 3.5Å; S751-A755 PolarHBondContact O-N 3.33Å
752I93.4Very high90.8Very high1 Ų117.1 Ų17.11%0.00510%0.097CC..Hα-helixtrans-63.4-47.7171.9-54.6175.8000110.1I348 T710 I727 L744 F749 N750 L754 A755 V756I348-I752 HydrophobicContact CD1-CG2 4.02Å; T710-I752 HydrophobicContact CG2-CD1 3.63Å; I727-I752 HydrophobicContact CD1-CD1 4.14Å; I727-I752 HydrophobicContact CD1-CG1 4.15Å; I727-I752 HydrophobicContact CD1-CG2 3.8Å; I727-I752 HydrophobicContact CG2-CD1 4.29Å; I727-I752 HydrophobicContact CG2-CG1 4.33Å; L744-I752 HydrophobicContact CD1-CD1 3.9Å; L744-I752 HydrophobicContact CD1-CG1 3.6Å; L744-I752 HydrophobicContact CD2-CG1 4.01Å; L744-I752 HydrophobicContact CG-CG1 4.4Å; F749-I752 HydrophobicContact CD2-CD1 3.76Å; F749-I752 HydrophobicContact CE2-CD1 3.97Å; F749-I752 HydrophobicContact CG-CD1 4.36Å; F749-I752 VanDerWaalsContact O-CB 3.3Å; F749-I752 WeakPolarHBondContact O-CB 3.15Å; F749-I752 PolarHBondContact O-N 2.89Å; F749-I752 VanDerWaalsContact O-N 3.08Å; N750-I752 PolarHBondContact O-N 2.91Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 3.16Å; I752-A755 PolarHBondContact O-N 2.8Å; I752-A755 VanDerWaalsContact O-N 3.12Å; I752-V756 HydrophobicContact CG2-CG2 4.44Å; I752-V756 WeakPolarHBondContact O-CG2 3.38Å; I752-V756 PolarHBondContact O-N 2.88Å
753V92.6Very high90.6Very high2 Ų217.9 Ų17.91%0.01210%0.1CC..Hα-helixtrans-61.3-43-179.5-175.70000111R622 F749 N750 A755 V756 E757 M826R622-V753 HydrophobicContact CB-CG1 4.02Å; F749-V753 HydrophobicContact CE1-CG2 4.41Å; N750-V753 WeakPolarHBondContact O-CB 3.46Å; N750-V753 PolarHBondContact O-N 2.85Å; N750-V753 VanDerWaalsContact O-N 3.11Å; V753-A755 VanDerWaalsContact C-N 3.31Å; V753-A755 PolarHBondContact O-N 2.94Å; V753-V756 PolarHBondContact O-N 2.8Å; V753-E757 PolarHBondContact O-N 3.15Å; V753-M826 HydrophobicContact CG1-CE 3.77Å
754L92.3Very high90.3Very high42 Ų4219.7 Ų19.722%0.2211%0.109CC..Hα-helixtrans-65.6-34.4176.1-68.6176.1000112.6K329 N750 S751 I752 E758K329-L754 HydrophobicContact CD-CB 4.28Å; N750-L754 WeakPolarHBondContact O-CG 3.33Å; N750-L754 PolarHBondContact O-N 2.62Å; S751-L754 PolarHBondContact O-N 2.85Å; I752-L754 VanDerWaalsContact C-N 3.32Å; I752-L754 PolarHBondContact O-N 3.16Å; L754-E758 WeakPolarHBondContact O-CB 3.48Å; L754-E758 PolarHBondContact O-N 2.92Å
755A93.3Very high90.1Very high2 Ų220 Ų202%0.01711%0.111CC..Hα-helixtrans-73-36.217600000111.6M326 A331 L342 M742 S751 I752 V753 E758 G759M326-A755 WeakPolarHBondContact CE-O 3.03Å; M326-A755 HydrophobicContact SD-CB 4.44Å; A331-A755 HydrophobicContact CB-CB 4Å; L342-A755 HydrophobicContact CD2-CB 3.35Å; M742-A755 HydrophobicContact CE-CB 3.74Å; M742-A755 HydrophobicContact SD-CB 4.07Å; S751-A755 VanDerWaalsContact O-CB 3.29Å; S751-A755 WeakPolarHBondContact O-CB 3.5Å; S751-A755 PolarHBondContact O-N 3.33Å; I752-A755 PolarHBondContact O-N 2.8Å; I752-A755 VanDerWaalsContact O-N 3.12Å; V753-A755 VanDerWaalsContact C-N 3.31Å; V753-A755 PolarHBondContact O-N 2.94Å; A755-E758 PolarHBondContact O-N 2.83Å; A755-G759 PolarHBondContact O-N 2.84Å
756V94.2Very high90Very high1 Ų117.6 Ų17.61%0.0069%0.09CC..Hα-helixtrans-63.8-44.3173.5171.40000110.3L342 I628 I752 V753 E758 G759 R760L342-V756 HydrophobicContact CD2-CG2 3.9Å; L342-V756 HydrophobicContact CG-CG2 4.5Å; I628-V756 HydrophobicContact CD1-CG1 3.74Å; I752-V756 HydrophobicContact CG2-CG2 4.44Å; I752-V756 WeakPolarHBondContact O-CG2 3.38Å; I752-V756 PolarHBondContact O-N 2.88Å; V753-V756 PolarHBondContact O-N 2.8Å; V756-E758 VanDerWaalsContact C-N 3.33Å; V756-E758 PolarHBondContact O-N 3.14Å; V756-G759 PolarHBondContact O-N 3.21Å; V756-R760 WeakPolarHBondContact O-CG 3.48Å; V756-R760 PolarHBondContact O-N 2.86Å
757E92.4Very high89.8Confident49 Ų4916.9 Ų16.923%0.2299%0.085CC..Hα-helixtrans-57.1-46.5175-176.7176.4173.100111.6R622 V753 R760 A761 I825 M826R622-E757 IonicContact CZ-OE2 3.78Å; R622-E757 IonicContact NH2-OE2 3.9Å; R622-E757 PolarHBondContact NH2-OE2 2.81Å; V753-E757 PolarHBondContact O-N 3.15Å; E757-R760 PolarHBondContact O-N 2.86Å; E757-A761 PolarHBondContact O-N 2.84Å; E757-A761 VanDerWaalsContact O-N 3.1Å; E757-I825 HydrophobicContact CG-CG2 4.02Å; E757-M826 HydrophobicContact CB-CG 4.06Å; E757-M826 HydrophobicContact CB-SD 3.73Å; E757-M826 HydrophobicContact CG-CG 3.83Å; E757-M826 HydrophobicContact CG-SD 4.14Å
758E91.5Very high89.8Confident19 Ų1916.2 Ų16.29%0.0898%0.081CC..Hα-helixtrans-66.3-39.8176.8-164.373.4-151.800112R325 M326 K329 L754 A755 V756 R760 A761 I762R325-E758 WeakPolarHBondContact CD-OE1 3.15Å; R325-E758 IonicContact CZ-OE1 2.71Å; R325-E758 IonicContact NE-OE1 3.69Å; R325-E758 PolarHBondContact NE-OE1 3.2Å; R325-E758 IonicContact NH1-OE1 3.04Å; R325-E758 PolarHBondContact NH1-OE1 3Å; M326-E758 HydrophobicContact CE-CB 3.83Å; M326-E758 HydrophobicContact CE-CG 4.05Å; M326-E758 HydrophobicContact CG-CB 4.23Å; M326-E758 HydrophobicContact CG-CG 4Å; K329-E758 IonicContact NZ-OE2 3.87Å; K329-E758 PolarHBondContact NZ-OE2 3.34Å; L754-E758 WeakPolarHBondContact O-CB 3.48Å; L754-E758 PolarHBondContact O-N 2.92Å; A755-E758 PolarHBondContact O-N 2.83Å; V756-E758 VanDerWaalsContact C-N 3.33Å; V756-E758 PolarHBondContact O-N 3.14Å; E758-R760 PolarHBondContact O-N 2.95Å; E758-A761 WeakPolarHBondContact O-CB 3.18Å; E758-A761 PolarHBondContact O-N 3.42Å; E758-I762 HydrophobicContact CG-CD1 3.92Å; E758-I762 VanDerWaalsContact O-CG1 3.27Å; E758-I762 WeakPolarHBondContact O-CG1 3.26Å; E758-I762 PolarHBondContact O-N 2.86Å
759G92.6Very high90Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-62-42.1176.500000112.4V339 A755 V756 A761 I762 Y763V339-G759 WeakPolarHBondContact O-CA 3.3Å; A755-G759 PolarHBondContact O-N 2.84Å; V756-G759 PolarHBondContact O-N 3.21Å; G759-A761 VanDerWaalsContact C-N 3.34Å; G759-A761 PolarHBondContact O-N 2.78Å; G759-I762 PolarHBondContact O-N 2.76Å; G759-Y763 PolarHBondContact O-N 2.8Å
760R91Very high89.9Confident18 Ų1815 Ų157%0.0687%0.074CC..Hα-helixtrans-61.4-42.6173-70.5-179.6178.9-162.9-0.4111.6G343 S626 V756 E757 E758 Y763 N764 I825 R828G343-R760 VanDerWaalsContact O-CG 3.23Å; G343-R760 WeakPolarHBondContact O-CG 3.2Å; G343-R760 PolarHBondContact O-NE 2.99Å; S626-R760 PolarHBondContact O-NH2 3.39Å; V756-R760 WeakPolarHBondContact O-CG 3.48Å; V756-R760 PolarHBondContact O-N 2.86Å; E757-R760 PolarHBondContact O-N 2.86Å; E758-R760 PolarHBondContact O-N 2.95Å; R760-Y763 PolarHBondContact O-N 2.86Å; R760-N764 PolarHBondContact O-N 3.47Å; R760-N764 VanDerWaalsContact O-N 3.07Å; R760-I825 HydrophobicContact CB-CD1 3.67Å; R760-I825 HydrophobicContact CB-CG1 3.65Å; R760-I825 PolarHBondContact NH1-O 3.06Å; R760-R828 PolarHBondContact NH1-O 2.96Å
761A89.2Confident89.5Confident3 Ų312.9 Ų12.93%0.0256%0.063CC..Hα-helixtrans-63.4-45.1178.100000111.6E757 E758 G759 Y763 N764 N765 P821 I825E757-A761 PolarHBondContact O-N 2.84Å; E757-A761 VanDerWaalsContact O-N 3.1Å; E758-A761 WeakPolarHBondContact O-CB 3.18Å; E758-A761 PolarHBondContact O-N 3.42Å; G759-A761 VanDerWaalsContact C-N 3.34Å; G759-A761 PolarHBondContact O-N 2.78Å; A761-Y763 VanDerWaalsContact C-N 3.35Å; A761-Y763 PolarHBondContact O-N 3.37Å; A761-N764 PolarHBondContact O-N 3.1Å; A761-N765 VanDerWaalsContact O-CG 3.25Å; A761-N765 PolarHBondContact O-N 3.33Å; A761-N765 PolarHBondContact O-OD1 2.64Å; A761-P821 HydrophobicContact CB-CB 3.79Å; A761-I825 HydrophobicContact CB-CD1 4.07Å
762I89.4Confident89.4Confident0 Ų012.8 Ų12.80%06%0.062CC..Hα-helixtrans-63.8-42178.5-69164.7000110.5L319 G322 M326 V339 E758 G759 N764 N765 M766L319-I762 HydrophobicContact CD2-CG2 4.19Å; G322-I762 VanDerWaalsContact CA-CD1 3.44Å; M326-I762 HydrophobicContact CE-CD1 4.21Å; V339-I762 HydrophobicContact CG1-CB 4.35Å; V339-I762 HydrophobicContact CG1-CD1 3.27Å; V339-I762 HydrophobicContact CG1-CG1 4.39Å; V339-I762 HydrophobicContact CG1-CG2 4.09Å; E758-I762 HydrophobicContact CG-CD1 3.92Å; E758-I762 VanDerWaalsContact O-CG1 3.27Å; E758-I762 WeakPolarHBondContact O-CG1 3.26Å; E758-I762 PolarHBondContact O-N 2.86Å; G759-I762 PolarHBondContact O-N 2.76Å; I762-N764 PolarHBondContact O-N 3.46Å; I762-N765 PolarHBondContact O-N 2.94Å; I762-M766 HydrophobicContact CG2-CE 3.97Å; I762-M766 HydrophobicContact CG2-CG 4.23Å; I762-M766 HydrophobicContact CG2-SD 4.25Å; I762-M766 WeakPolarHBondContact O-CB 3.46Å; I762-M766 VanDerWaalsContact O-CG 3.28Å; I762-M766 WeakPolarHBondContact O-CG 3.45Å; I762-M766 PolarHBondContact O-N 3.27Å
763Y88Confident89.2Confident15 Ų1512.9 Ų12.96%0.0596%0.062CC..Hα-helixtrans-58.6-47.4174.2178.5-95.8000112.4E340 G759 R760 A761 N765 M766 K767 R831E340-Y763 HydrophobicContact CG-CD2 3.81Å; E340-Y763 VanDerWaalsContact OE1-CD2 3.24Å; E340-Y763 WeakPolarHBondContact OE1-CD2 3.39Å; G759-Y763 PolarHBondContact O-N 2.8Å; R760-Y763 PolarHBondContact O-N 2.86Å; A761-Y763 VanDerWaalsContact C-N 3.35Å; A761-Y763 PolarHBondContact O-N 3.37Å; Y763-N765 VanDerWaalsContact C-N 3.31Å; Y763-N765 PolarHBondContact O-N 3.01Å; Y763-M766 PolarHBondContact O-N 3.2Å; Y763-K767 HydrophobicContact CE1-CD 4.18Å; Y763-K767 WeakPolarHBondContact O-CB 3.39Å; Y763-K767 PolarHBondContact O-N 3.02Å; Y763-R831 VanDerWaalsContact CZ-CD 3.42Å; Y763-R831 VanDerWaalsContact CZ-NE 3.31Å; Y763-R831 WeakPolarHBondContact OH-CD 3.44Å; Y763-R831 PolarHBondContact OH-NE 3.43Å; Y763-R831 PolarHBondContact OH-NH1 3.16Å
764N85.2Confident88.9Confident52 Ų5213.4 Ų13.428%0.2787%0.065SC..Hα-helixtrans-59.4-43.9177.9-75.1-7000111.4R760 A761 I762 K767 Q768R760-N764 PolarHBondContact O-N 3.47Å; R760-N764 VanDerWaalsContact O-N 3.07Å; A761-N764 PolarHBondContact O-N 3.1Å; I762-N764 PolarHBondContact O-N 3.46Å; N764-K767 WeakPolarHBondContact O-CB 3.4Å; N764-K767 PolarHBondContact O-N 2.76Å; N764-Q768 WeakPolarHBondContact O-CB 3.47Å; N764-Q768 PolarHBondContact O-N 3.38Å
765N88.7Confident88.6Confident7 Ų711.4 Ų11.44%0.0376%0.055CC..Hα-helixtrans-65.4-39.9177.4-66.30.7000111.9A761 I762 Y763 Q768 F769 G817 N819A761-N765 VanDerWaalsContact O-CG 3.25Å; A761-N765 PolarHBondContact O-N 3.33Å; A761-N765 PolarHBondContact O-OD1 2.64Å; I762-N765 PolarHBondContact O-N 2.94Å; Y763-N765 VanDerWaalsContact C-N 3.31Å; Y763-N765 PolarHBondContact O-N 3.01Å; N765-Q768 WeakPolarHBondContact O-CB 3.46Å; N765-Q768 PolarHBondContact O-N 3.1Å; N765-F769 WeakPolarHBondContact O-CD1 3.02Å; N765-F769 PolarHBondContact O-N 2.86Å; N765-G817 PolarHBondContact ND2-O 2.69Å; N765-N819 PolarHBondContact ND2-N 3.18Å; N765-N819 PolarHBondContact ND2-O 2.9Å; N765-N819 WeakPolarHBondContact OD1-CB 3.22Å
766M86.4Confident88.5Confident1 Ų111.3 Ų11.31%0.0055%0.054CC..Hα-helixtrans-62.8-48.6175.4-74.4-168.2-60.800112.3L249 I315 L319 E340 I762 Y763 Q768 F769 I770L249-M766 HydrophobicContact CD2-CE 3.82Å; L249-M766 HydrophobicContact CD2-SD 3.8Å; I315-M766 HydrophobicContact CG2-SD 4.38Å; L319-M766 HydrophobicContact CD2-CE 4.28Å; L319-M766 HydrophobicContact CD2-SD 3.85Å; L319-M766 HydrophobicContact CG-SD 4.29Å; E340-M766 HydrophobicContact CB-CE 3.78Å; E340-M766 HydrophobicContact CG-CE 3.51Å; I762-M766 HydrophobicContact CG2-CE 3.97Å; I762-M766 HydrophobicContact CG2-CG 4.23Å; I762-M766 HydrophobicContact CG2-SD 4.25Å; I762-M766 WeakPolarHBondContact O-CB 3.46Å; I762-M766 VanDerWaalsContact O-CG 3.28Å; I762-M766 WeakPolarHBondContact O-CG 3.45Å; I762-M766 PolarHBondContact O-N 3.27Å; Y763-M766 PolarHBondContact O-N 3.2Å; M766-Q768 PolarHBondContact O-N 2.89Å; M766-F769 HydrophobicContact CB-CE1 3.92Å; M766-F769 HydrophobicContact CB-CZ 3.87Å; M766-F769 HydrophobicContact CG-CE1 3.56Å; M766-F769 HydrophobicContact CG-CZ 3.56Å; M766-F769 PolarHBondContact O-N 3.24Å; M766-I770 HydrophobicContact CB-CD1 4.44Å; M766-I770 VanDerWaalsContact O-CB 3.29Å; M766-I770 WeakPolarHBondContact O-CB 3.44Å; M766-I770 WeakPolarHBondContact O-CD1 3.24Å; M766-I770 WeakPolarHBondContact O-CG1 3.25Å; M766-I770 PolarHBondContact O-N 3.44Å
767K83.2Confident88.3Confident37 Ų3711.6 Ų11.616%0.1616%0.055CC..Hα-helixtrans-51.3-46.4173.7-152.2-174-178.2-167.20108.9Y763 N764 I770 R771 L837Y763-K767 HydrophobicContact CE1-CD 4.18Å; Y763-K767 WeakPolarHBondContact O-CB 3.39Å; Y763-K767 PolarHBondContact O-N 3.02Å; N764-K767 WeakPolarHBondContact O-CB 3.4Å; N764-K767 PolarHBondContact O-N 2.76Å; K767-I770 PolarHBondContact O-N 2.99Å; K767-R771 VanDerWaalsContact CD-CZ 3.44Å; K767-R771 WeakPolarHBondContact O-CB 3.48Å; K767-R771 WeakPolarHBondContact O-CD 3.34Å; K767-R771 WeakPolarHBondContact O-CG 3.43Å; K767-R771 PolarHBondContact O-N 2.92Å; K767-L837 WeakPolarHBondContact CE-O 2.86Å; K767-L837 HydrophobicContact CG-CD2 4.35Å
768Q85.8Confident88.1Confident12 Ų1211.2 Ų11.26%0.0565%0.054CC..Hα-helixtrans-63.2-46-177.2-158.861.131.400114.8N764 N765 M766 R771 Y772 S924N764-Q768 WeakPolarHBondContact O-CB 3.47Å; N764-Q768 PolarHBondContact O-N 3.38Å; N765-Q768 WeakPolarHBondContact O-CB 3.46Å; N765-Q768 PolarHBondContact O-N 3.1Å; M766-Q768 PolarHBondContact O-N 2.89Å; Q768-R771 WeakPolarHBondContact O-CB 3.46Å; Q768-Y772 PolarHBondContact O-N 3.5Å; Q768-Y772 VanDerWaalsContact O-N 3.15Å; Q768-S924 WeakPolarHBondContact CG-O 3.42Å; Q768-S924 PolarHBondContact NE2-O 3.04Å
769F90.1Very high88.1Confident0 Ų010.3 Ų10.30%05%0.05CC..Hα-helixtrans-77.1-30.5176.970.5-117.1000113.1L311 V314 I315 C318 N765 M766 R771 Y772 L773 A813 L816L311-F769 HydrophobicContact CD1-CD2 4.27Å; L311-F769 HydrophobicContact CD1-CE2 3.94Å; V314-F769 HydrophobicContact CB-CE2 4.44Å; V314-F769 HydrophobicContact CG1-CD1 4.24Å; V314-F769 HydrophobicContact CG1-CD2 3.67Å; V314-F769 HydrophobicContact CG1-CE1 4.18Å; V314-F769 HydrophobicContact CG1-CE2 3.71Å; V314-F769 HydrophobicContact CG1-CG 4.01Å; V314-F769 HydrophobicContact CG1-CZ 3.97Å; I315-F769 HydrophobicContact CB-CZ 4.48Å; I315-F769 HydrophobicContact CG1-CE2 3.67Å; I315-F769 HydrophobicContact CG1-CZ 3.79Å; C318-F769 HydrophobicContact CB-CE1 3.83Å; C318-F769 HydrophobicContact CB-CZ 4.26Å; N765-F769 WeakPolarHBondContact O-CD1 3.02Å; N765-F769 PolarHBondContact O-N 2.86Å; M766-F769 HydrophobicContact CB-CE1 3.92Å; M766-F769 HydrophobicContact CB-CZ 3.87Å; M766-F769 HydrophobicContact CG-CE1 3.56Å; M766-F769 HydrophobicContact CG-CZ 3.56Å; M766-F769 PolarHBondContact O-N 3.24Å; F769-R771 PolarHBondContact O-N 3.32Å; F769-Y772 PolarHBondContact O-N 3.16Å; F769-L773 WeakPolarHBondContact O-CG 3.32Å; F769-L773 PolarHBondContact O-N 2.88Å; F769-A813 HydrophobicContact CB-CB 4.12Å; F769-A813 VanDerWaalsContact CB-O 3.29Å; F769-A813 WeakPolarHBondContact CB-O 3.4Å; F769-L816 HydrophobicContact CB-CB 3.93Å; F769-L816 HydrophobicContact CB-CD1 4.13Å
770I86.3Confident88.1Confident4 Ų410.3 Ų10.32%0.0215%0.05CC..Hα-helixtrans-58.3-44.7172.4-74.9164.9000108.7L311 M766 K767 L773 I774 L837L311-I770 HydrophobicContact CD1-CG1 3.72Å; M766-I770 HydrophobicContact CB-CD1 4.44Å; M766-I770 VanDerWaalsContact O-CB 3.29Å; M766-I770 WeakPolarHBondContact O-CB 3.44Å; M766-I770 WeakPolarHBondContact O-CD1 3.24Å; M766-I770 WeakPolarHBondContact O-CG1 3.25Å; M766-I770 PolarHBondContact O-N 3.44Å; K767-I770 PolarHBondContact O-N 2.99Å; I770-L773 PolarHBondContact O-N 3.32Å; I770-I774 HydrophobicContact CG2-CD1 3.5Å; I770-I774 HydrophobicContact CG2-CG1 4.4Å; I770-I774 WeakPolarHBondContact O-CB 3.35Å; I770-I774 WeakPolarHBondContact O-CD1 3.25Å; I770-I774 WeakPolarHBondContact O-CG1 3.48Å; I770-I774 PolarHBondContact O-N 3.37Å; I770-L837 HydrophobicContact CD1-CD2 4.15Å
771R81.5Confident88.1Confident3 Ų310.3 Ų10.31%0.0115%0.052CC..Hα-helixtrans-61.6-44.6176.7-68.8155.5172.5-172-16.4112.6K767 Q768 F769 S775 L842 Y846 E927K767-R771 VanDerWaalsContact CD-CZ 3.44Å; K767-R771 WeakPolarHBondContact O-CB 3.48Å; K767-R771 WeakPolarHBondContact O-CD 3.34Å; K767-R771 WeakPolarHBondContact O-CG 3.43Å; K767-R771 PolarHBondContact O-N 2.92Å; Q768-R771 WeakPolarHBondContact O-CB 3.46Å; F769-R771 PolarHBondContact O-N 3.32Å; R771-S775 VanDerWaalsContact O-CB 3.31Å; R771-S775 WeakPolarHBondContact O-CB 3.37Å; R771-S775 PolarHBondContact O-N 3.06Å; R771-L842 HydrophobicContact CG-CD2 4.39Å; R771-Y846 HydrophobicContact CB-CE1 4.18Å; R771-Y846 HydrophobicContact CB-CE2 3.96Å; R771-Y846 WeakPolarHBondContact CB-OH 3.33Å; R771-Y846 WeakPolarHBondContact CD-OH 3.18Å; R771-Y846 HydrophobicContact CG-CE2 3.69Å; R771-Y846 WeakPolarHBondContact CG-OH 3.31Å; R771-Y846 PolarHBondContact NE-OH 3.32Å; R771-E927 VanDerWaalsContact CZ-CD 3.47Å; R771-E927 IonicContact CZ-OE1 2.77Å; R771-E927 IonicContact CZ-OE2 3.72Å; R771-E927 VanDerWaalsContact CZ-OE2 3.23Å; R771-E927 IonicContact NH1-OE1 2.65Å; R771-E927 IonicContact NH1-OE2 3.34Å; R771-E927 PolarHBondContact NH1-OE2 3.45Å; R771-E927 IonicContact NH2-OE1 3.1Å; R771-E927 PolarHBondContact NH2-OE1 2.7Å; R771-E927 IonicContact NH2-OE2 3.53Å; R771-E927 PolarHBondContact NH2-OE2 3.14Å
772Y89.8Confident88.2Confident0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-58.7-53.5177.5163.3-119.7000111.2Q768 F769 I774 S775 S776 D809 P812 A813 L816 E917 N920 A921Q768-Y772 PolarHBondContact O-N 3.5Å; Q768-Y772 VanDerWaalsContact O-N 3.15Å; F769-Y772 PolarHBondContact O-N 3.16Å; Y772-I774 PolarHBondContact O-N 2.94Å; Y772-S775 WeakPolarHBondContact O-CB 3.34Å; Y772-S775 PolarHBondContact O-N 2.76Å; Y772-S776 PolarHBondContact O-N 2.99Å; Y772-S776 VanDerWaalsContact O-N 3.14Å; Y772-D809 HydrophobicContact CE1-CB 4.1Å; Y772-D809 WeakPolarHBondContact CE1-O 3.33Å; Y772-D809 WeakPolarHBondContact OH-CA 3.47Å; Y772-D809 VanDerWaalsContact OH-CG 3.27Å; Y772-D809 PolarHBondContact OH-OD1 3.2Å; Y772-P812 HydrophobicContact CE1-CB 3.95Å; Y772-A813 HydrophobicContact CD1-CB 3.88Å; Y772-A813 HydrophobicContact CE1-CB 3.98Å; Y772-L816 HydrophobicContact CD1-CD1 3.97Å; Y772-L816 HydrophobicContact CG-CD1 4.06Å; Y772-E917 HydrophobicContact CE2-CB 4.17Å; Y772-E917 WeakPolarHBondContact CE2-O 3.31Å; Y772-E917 VanDerWaalsContact CE2-OE2 3.29Å; Y772-E917 WeakPolarHBondContact CE2-OE2 3.21Å; Y772-N920 HydrophobicContact CD2-CB 4.42Å; Y772-N920 HydrophobicContact CE2-CB 4.4Å; Y772-A921 HydrophobicContact CD2-CB 4.38Å; Y772-A921 HydrophobicContact CE2-CB 3.96Å
773L90.3Very high88.3Confident3 Ų311.5 Ų11.52%0.0166%0.059CC..Hα-helixtrans-59.8-48179.5-69.2173.7000111.7L311 F769 I770 S775 S776 N777 D809 A813L311-L773 HydrophobicContact CB-CD1 4.29Å; L311-L773 HydrophobicContact CD1-CD1 3.81Å; F769-L773 WeakPolarHBondContact O-CG 3.32Å; F769-L773 PolarHBondContact O-N 2.88Å; I770-L773 PolarHBondContact O-N 3.32Å; L773-S775 VanDerWaalsContact C-N 3.31Å; L773-S775 PolarHBondContact O-N 2.92Å; L773-S776 VanDerWaalsContact O-CB 3.3Å; L773-S776 WeakPolarHBondContact O-CB 3.48Å; L773-S776 PolarHBondContact O-N 2.97Å; L773-S776 VanDerWaalsContact O-N 3.1Å; L773-N777 PolarHBondContact O-N 3.45Å; L773-N777 PolarHBondContact O-OD1 2.85Å; L773-D809 HydrophobicContact CD2-CB 3.79Å; L773-A813 HydrophobicContact CD1-CB 3.97Å; L773-A813 HydrophobicContact CD2-CB 3.91Å; L773-A813 HydrophobicContact CG-CB 3.9Å
774I85.1Confident88.4Confident13 Ų1311.5 Ų11.57%0.0676%0.06CC..Hα-helixtrans-62.7-38.5179.9-66.8168.2000111.8F256 I770 Y772 S776 N777 I778 I838F256-I774 HydrophobicContact CD2-CD1 4.29Å; F256-I774 HydrophobicContact CE1-CD1 4.04Å; F256-I774 HydrophobicContact CE1-CG1 4.4Å; F256-I774 HydrophobicContact CE2-CD1 3.44Å; F256-I774 VanDerWaalsContact CE2-CD1 3.44Å; F256-I774 HydrophobicContact CE2-CG1 4.2Å; F256-I774 HydrophobicContact CZ-CD1 3.29Å; F256-I774 HydrophobicContact CZ-CG1 3.65Å; I770-I774 HydrophobicContact CG2-CD1 3.5Å; I770-I774 HydrophobicContact CG2-CG1 4.4Å; I770-I774 WeakPolarHBondContact O-CB 3.35Å; I770-I774 WeakPolarHBondContact O-CD1 3.25Å; I770-I774 WeakPolarHBondContact O-CG1 3.48Å; I770-I774 PolarHBondContact O-N 3.37Å; Y772-I774 PolarHBondContact O-N 2.94Å; I774-S776 VanDerWaalsContact C-N 3.27Å; I774-S776 PolarHBondContact O-N 2.86Å; I774-N777 PolarHBondContact O-N 2.68Å; I774-I778 HydrophobicContact CG2-CD1 3.9Å; I774-I778 HydrophobicContact CG2-CG1 4.29Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.29Å; I774-I778 PolarHBondContact O-N 3.19Å; I774-I838 HydrophobicContact CD1-CD1 4.01Å; I774-I838 HydrophobicContact CG2-CD1 4.5Å
775S86.9Confident88.5Confident1 Ų112.1 Ų12.11%0.0076%0.06CC..Hα-helixtrans-60.4-39.8176.4-176.30000111.6R771 Y772 L773 G779 N920R771-S775 VanDerWaalsContact O-CB 3.31Å; R771-S775 WeakPolarHBondContact O-CB 3.37Å; R771-S775 PolarHBondContact O-N 3.06Å; Y772-S775 WeakPolarHBondContact O-CB 3.34Å; Y772-S775 PolarHBondContact O-N 2.76Å; L773-S775 VanDerWaalsContact C-N 3.31Å; L773-S775 PolarHBondContact O-N 2.92Å; S775-G779 PolarHBondContact O-N 3.01Å; S775-N920 PolarHBondContact OG-ND2 2.63Å
776S90.6Very high88.5Confident0 Ų013.9 Ų13.90%07%0.069CC..Hα-helixtrans-62-55.2174.9-173.80000110.6Y772 L773 I774 I778 G779 E780 D809 E917Y772-S776 PolarHBondContact O-N 2.99Å; Y772-S776 VanDerWaalsContact O-N 3.14Å; L773-S776 VanDerWaalsContact O-CB 3.3Å; L773-S776 WeakPolarHBondContact O-CB 3.48Å; L773-S776 PolarHBondContact O-N 2.97Å; L773-S776 VanDerWaalsContact O-N 3.1Å; I774-S776 VanDerWaalsContact C-N 3.27Å; I774-S776 PolarHBondContact O-N 2.86Å; S776-I778 VanDerWaalsContact C-N 3.31Å; S776-I778 PolarHBondContact O-N 2.85Å; S776-G779 CarbonylContact O-C 3.58Å; S776-G779 VanDerWaalsContact O-CA 3.3Å; S776-G779 WeakPolarHBondContact O-CA 3.42Å; S776-G779 PolarHBondContact O-N 2.93Å; S776-E780 PolarHBondContact O-N 2.78Å; S776-D809 WeakPolarHBondContact CB-OD2 3.42Å; S776-D809 PolarHBondContact OG-OD2 3.5Å; S776-E917 VanDerWaalsContact CB-CD 3.42Å; S776-E917 WeakPolarHBondContact OG-CG 3.38Å
777N89.9Confident88.6Confident6 Ų614.2 Ų14.23%0.0327%0.072CC..Hα-helixtrans-57.2-38.6179.2-70.596.4000113.4A305 I307 L773 I774 G779 E780 V781 N805A305-N777 PolarHBondContact O-ND2 2.72Å; I307-N777 PolarHBondContact O-ND2 2.83Å; L773-N777 PolarHBondContact O-N 3.45Å; L773-N777 PolarHBondContact O-OD1 2.85Å; I774-N777 PolarHBondContact O-N 2.68Å; N777-G779 VanDerWaalsContact C-N 3.28Å; N777-G779 PolarHBondContact O-N 3.01Å; N777-E780 PolarHBondContact O-N 2.67Å; N777-V781 VanDerWaalsContact O-CG2 3.3Å; N777-V781 WeakPolarHBondContact O-CG2 3.29Å; N777-V781 PolarHBondContact O-N 2.82Å; N777-N805 PolarHBondContact ND2-ND2 3.26Å
778I89.3Confident88.6Confident41 Ų4112.9 Ų12.921%0.217%0.067CC..Hα-helixtrans-60.9-41.3173.8-68.3168.7000110.2I774 S776 V781 V782I774-I778 HydrophobicContact CG2-CD1 3.9Å; I774-I778 HydrophobicContact CG2-CG1 4.29Å; I774-I778 VanDerWaalsContact O-CG1 3.3Å; I774-I778 WeakPolarHBondContact O-CG1 3.29Å; I774-I778 PolarHBondContact O-N 3.19Å; S776-I778 VanDerWaalsContact C-N 3.31Å; S776-I778 PolarHBondContact O-N 2.85Å; I778-V781 PolarHBondContact O-N 2.94Å; I778-V782 HydrophobicContact CG2-CG2 4.47Å; I778-V782 VanDerWaalsContact O-CG2 3.29Å; I778-V782 WeakPolarHBondContact O-CG2 3.22Å; I778-V782 PolarHBondContact O-N 2.83Å
779G91.7Very high88.4Confident0 Ų014.1 Ų14.10%08%0.08CC..Hα-helixtrans-63-43.317600000113.7S775 S776 N777 V782 S783 G850 G854S775-G779 PolarHBondContact O-N 3.01Å; S776-G779 CarbonylContact O-C 3.58Å; S776-G779 VanDerWaalsContact O-CA 3.3Å; S776-G779 WeakPolarHBondContact O-CA 3.42Å; S776-G779 PolarHBondContact O-N 2.93Å; N777-G779 VanDerWaalsContact C-N 3.28Å; N777-G779 PolarHBondContact O-N 3.01Å; G779-V782 PolarHBondContact O-N 2.81Å; G779-S783 WeakPolarHBondContact O-CB 3.25Å; G779-S783 PolarHBondContact O-N 3.27Å; G779-G850 WeakPolarHBondContact CA-O 3.38Å; G779-G854 WeakPolarHBondContact O-CA 3.38Å
780E92.2Very high88.2Confident1 Ų117.7 Ų17.71%0.00510%0.098CC..Hα-helixtrans-61.4-45.6175.4-61.1-175.4158.700111.6A305 S776 N777 V782 S783 I784 L801 N805 L913A305-E780 HydrophobicContact CB-CB 4.04Å; S776-E780 PolarHBondContact O-N 2.78Å; N777-E780 PolarHBondContact O-N 2.67Å; E780-V782 PolarHBondContact O-N 3.1Å; E780-S783 VanDerWaalsContact O-CB 3.32Å; E780-S783 WeakPolarHBondContact O-CB 3.49Å; E780-S783 PolarHBondContact O-N 3.08Å; E780-S783 VanDerWaalsContact O-N 3.16Å; E780-I784 PolarHBondContact O-N 2.96Å; E780-L801 HydrophobicContact CB-CD2 4.15Å; E780-L801 HydrophobicContact CG-CD2 3.87Å; E780-N805 PolarHBondContact OE1-OD1 2.89Å; E780-N805 PolarHBondContact OE2-ND2 2.69Å; E780-N805 PolarHBondContact OE2-OD1 3.35Å; E780-L913 HydrophobicContact CG-CD1 4.37Å; E780-L913 HydrophobicContact CG-CD2 4.15Å
781V90Very high88Confident17 Ų1718.6 Ų18.610%0.10311%0.109CC..Hα-helixtrans-61-44.1176.21710000111.3I267 L302 A305 A306 N777 I778 S783 I784 F785I267-V781 HydrophobicContact CD1-CG1 3.74Å; I267-V781 HydrophobicContact CG2-CG1 4.5Å; L302-V781 HydrophobicContact CD1-CG1 4.21Å; A305-V781 HydrophobicContact CB-CG2 4.41Å; A306-V781 HydrophobicContact CB-CG2 3.61Å; N777-V781 VanDerWaalsContact O-CG2 3.3Å; N777-V781 WeakPolarHBondContact O-CG2 3.29Å; N777-V781 PolarHBondContact O-N 2.82Å; I778-V781 PolarHBondContact O-N 2.94Å; V781-S783 VanDerWaalsContact C-N 3.32Å; V781-S783 PolarHBondContact O-N 3.29Å; V781-I784 PolarHBondContact O-N 3.31Å; V781-F785 WeakPolarHBondContact O-CB 3.36Å; V781-F785 PolarHBondContact O-N 2.81Å
782V91.1Very high88.3Confident28 Ų2819.3 Ų19.317%0.1711%0.113CC..Hα-helixtrans-63.6-39.5175.91740000110.8I778 G779 E780 F785 L786 V851I778-V782 HydrophobicContact CG2-CG2 4.47Å; I778-V782 VanDerWaalsContact O-CG2 3.29Å; I778-V782 WeakPolarHBondContact O-CG2 3.22Å; I778-V782 PolarHBondContact O-N 2.83Å; G779-V782 PolarHBondContact O-N 2.81Å; E780-V782 PolarHBondContact O-N 3.1Å; V782-F785 PolarHBondContact O-N 3.34Å; V782-L786 HydrophobicContact CG1-CD1 3.69Å; V782-L786 HydrophobicContact CG1-CG 4.04Å; V782-L786 VanDerWaalsContact O-CB 3.31Å; V782-L786 WeakPolarHBondContact O-CB 3.49Å; V782-L786 VanDerWaalsContact O-CG 3.28Å; V782-L786 WeakPolarHBondContact O-CG 3.41Å; V782-L786 PolarHBondContact O-N 2.9Å; V782-V851 HydrophobicContact CG2-CG2 4.14Å
783S92.7Very high88.1Confident1 Ų119.9 Ų19.91%0.00712%0.117CC..Hα-helixtrans-59.4-51.5176.9-173.60000111.7G779 E780 V781 T787 T857 V858G779-S783 WeakPolarHBondContact O-CB 3.25Å; G779-S783 PolarHBondContact O-N 3.27Å; E780-S783 VanDerWaalsContact O-CB 3.32Å; E780-S783 WeakPolarHBondContact O-CB 3.49Å; E780-S783 PolarHBondContact O-N 3.08Å; E780-S783 VanDerWaalsContact O-N 3.16Å; V781-S783 VanDerWaalsContact C-N 3.32Å; V781-S783 PolarHBondContact O-N 3.29Å; S783-T787 WeakPolarHBondContact O-CB 3.46Å; S783-T787 PolarHBondContact O-N 2.77Å; S783-T787 PolarHBondContact O-OG1 3.37Å; S783-T857 VanDerWaalsContact CB-OG1 3.24Å; S783-T857 WeakPolarHBondContact CB-OG1 3.44Å; S783-T857 PolarHBondContact OG-OG1 3.44Å; S783-V858 VanDerWaalsContact O-CG2 3.31Å; S783-V858 WeakPolarHBondContact O-CG2 3.49Å
784I88.7Confident87.8Confident15 Ų1522.6 Ų22.68%0.07713%0.129CC..Hα-helixtrans-64.2-45.6178.3-64.5176.8000110.3I298 A301 L302 A305 E780 V781 L786 T787 A788 L801I298-I784 HydrophobicContact CG2-CG2 4.06Å; A301-I784 HydrophobicContact CB-CD1 4.29Å; L302-I784 HydrophobicContact CB-CG2 4.27Å; L302-I784 HydrophobicContact CD1-CB 4.1Å; L302-I784 HydrophobicContact CD1-CG2 3.79Å; A305-I784 HydrophobicContact CB-CD1 3.47Å; A305-I784 VanDerWaalsContact CB-CD1 3.47Å; E780-I784 PolarHBondContact O-N 2.96Å; V781-I784 PolarHBondContact O-N 3.31Å; I784-L786 PolarHBondContact O-N 3.22Å; I784-T787 PolarHBondContact O-N 3.26Å; I784-A788 WeakPolarHBondContact O-CB 3.29Å; I784-A788 PolarHBondContact O-N 2.92Å; I784-L801 HydrophobicContact CD1-CD1 3.73Å
785F87.3Confident88.1Confident65 Ų6522 Ų2229%0.28513%0.127SC..Hα-helixtrans-59.4-47179.7178.8-96.5000112I267 V271 I274 V781 V782 A788 A789I267-F785 HydrophobicContact CG2-CD2 4.15Å; V271-F785 HydrophobicContact CG2-CD2 3.56Å; V271-F785 HydrophobicContact CG2-CE2 3.98Å; I274-F785 HydrophobicContact CD1-CE2 4.06Å; I274-F785 HydrophobicContact CD1-CZ 4.01Å; V781-F785 WeakPolarHBondContact O-CB 3.36Å; V781-F785 PolarHBondContact O-N 2.81Å; V782-F785 PolarHBondContact O-N 3.34Å; F785-A788 PolarHBondContact O-N 3.17Å; F785-A789 HydrophobicContact CE1-CB 4.31Å; F785-A789 HydrophobicContact CZ-CB 4.37Å; F785-A789 WeakPolarHBondContact O-CB 3.48Å; F785-A789 PolarHBondContact O-N 2.68Å
786L89.3Confident88.2Confident43 Ų4322.4 Ų22.423%0.22513%0.129CC..Hα-helixtrans-64.4-42.5178.3-76.4175000111.9V782 I784 L790 V858V782-L786 HydrophobicContact CG1-CD1 3.69Å; V782-L786 HydrophobicContact CG1-CG 4.04Å; V782-L786 VanDerWaalsContact O-CB 3.31Å; V782-L786 WeakPolarHBondContact O-CB 3.49Å; V782-L786 VanDerWaalsContact O-CG 3.28Å; V782-L786 WeakPolarHBondContact O-CG 3.41Å; V782-L786 PolarHBondContact O-N 2.9Å; I784-L786 PolarHBondContact O-N 3.22Å; L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.14Å; L786-L790 VanDerWaalsContact O-CG 3.25Å; L786-L790 WeakPolarHBondContact O-CG 3.39Å; L786-L790 PolarHBondContact O-N 3.25Å; L786-V858 HydrophobicContact CB-CG2 4.13Å
787T88.3Confident88Confident9 Ų923.2 Ų23.26%0.05513%0.133CC..Hα-helixtrans-61-48.2178.1-54.70000110.7S783 I784 G791 L792 P793 V858S783-T787 WeakPolarHBondContact O-CB 3.46Å; S783-T787 PolarHBondContact O-N 2.77Å; S783-T787 PolarHBondContact O-OG1 3.37Å; I784-T787 PolarHBondContact O-N 3.26Å; T787-G791 PolarHBondContact O-N 2.97Å; T787-L792 HydrophobicContact CG2-CB 4Å; T787-L792 VanDerWaalsContact CG2-O 3.31Å; T787-L792 WeakPolarHBondContact CG2-O 3.49Å; T787-L792 PolarHBondContact O-N 3.19Å; T787-P793 WeakPolarHBondContact CG2-O 3.39Å; T787-V858 VanDerWaalsContact OG1-CG2 3.3Å; T787-V858 WeakPolarHBondContact OG1-CG2 3.44Å
788A83Confident87.6Confident8 Ų823.1 Ų23.17%0.06613%0.133CC..Hα-helixtrans-68-44.4179.400000112.8V271 I298 I784 F785 L790 G791V271-A788 HydrophobicContact CG1-CB 4.34Å; I298-A788 HydrophobicContact CD1-CB 4.08Å; I298-A788 HydrophobicContact CG2-CB 3.94Å; I784-A788 WeakPolarHBondContact O-CB 3.29Å; I784-A788 PolarHBondContact O-N 2.92Å; F785-A788 PolarHBondContact O-N 3.17Å; A788-L790 VanDerWaalsContact C-N 3.32Å; A788-L790 PolarHBondContact O-N 2.74Å; A788-G791 PolarHBondContact O-N 3.05Å
789A83.3Confident87.4Confident39 Ų3922 Ų2232%0.32213%0.128SC..Hα-helixtrans-69.6-29.1-177.500000112.9F785F785-A789 HydrophobicContact CE1-CB 4.31Å; F785-A789 HydrophobicContact CZ-CB 4.37Å; F785-A789 WeakPolarHBondContact O-CB 3.48Å; F785-A789 PolarHBondContact O-N 2.68Å
790L85.9Confident87.3Confident74 Ų7422 Ų2239%0.38713%0.128SC..THydrogen-bonded Turntrans-92.2-4.3177.6-62.9175000113.2L786 A788 L792 T880L786-L790 VanDerWaalsContact O-CB 3.25Å; L786-L790 WeakPolarHBondContact O-CB 3.14Å; L786-L790 VanDerWaalsContact O-CG 3.25Å; L786-L790 WeakPolarHBondContact O-CG 3.39Å; L786-L790 PolarHBondContact O-N 3.25Å; A788-L790 VanDerWaalsContact C-N 3.32Å; A788-L790 PolarHBondContact O-N 2.74Å; L790-L792 VanDerWaalsContact C-N 3.25Å; L790-L792 HydrophobicContact CB-CD1 3.99Å; L790-L792 HydrophobicContact CB-CG 3.82Å; L790-L792 HydrophobicContact CD1-CD1 3.96Å; L790-L792 PolarHBondContact O-N 2.88Å; L790-T880 WeakPolarHBondContact O-CB 3.32Å; L790-T880 WeakPolarHBondContact O-CG2 3.43Å
791G81.4Confident87.2Confident24 Ų2422 Ų2225%0.24713%0.128CC..THydrogen-bonded Turntrans67.224.6-17600000113.8T787 A788 T880 H882T787-G791 PolarHBondContact O-N 2.97Å; A788-G791 PolarHBondContact O-N 3.05Å; G791-T880 CarbonylContact O-C 3.04Å; G791-T880 WeakPolarHBondContact O-CA 3.47Å; G791-H882 PolarHBondContact O-CE1 3.08Å; G791-H882 VanDerWaalsContact O-CE1 3.31Å; G791-H882 PolarHBondContact O-ND1 2.71Å
792L86.8Confident87Confident17 Ų1721.4 Ų21.49%0.08912%0.124CC..PPolyproline II helixtrans-77.6154.9178.6-62.5173.2000110.4T787 L790 V858 L879 T880T787-L792 HydrophobicContact CG2-CB 4Å; T787-L792 VanDerWaalsContact CG2-O 3.31Å; T787-L792 WeakPolarHBondContact CG2-O 3.49Å; T787-L792 PolarHBondContact O-N 3.19Å; L790-L792 VanDerWaalsContact C-N 3.25Å; L790-L792 HydrophobicContact CB-CD1 3.99Å; L790-L792 HydrophobicContact CB-CG 3.82Å; L790-L792 HydrophobicContact CD1-CD1 3.96Å; L790-L792 PolarHBondContact O-N 2.88Å; L792-V858 HydrophobicContact CD1-CG1 3.52Å; L792-L879 HydrophobicContact CD2-CB 4.37Å; L792-L879 HydrophobicContact CD2-CD2 3.58Å; L792-L879 HydrophobicContact CD2-CG 3.57Å; L792-T880 HydrophobicContact CD2-CG2 3.95Å
793P85.8Confident87Confident12 Ų1223.3 Ų23.38%0.07813%0.128CC..PPolyproline II helixtrans-57.4145.5169.3-20.731.4000111.1T787 A795 F865 L879 H882 F900T787-P793 WeakPolarHBondContact CG2-O 3.39Å; P793-A795 PolarHBondContact O-N 3.21Å; P793-A795 VanDerWaalsContact O-N 3.11Å; P793-F865 HydrophobicContact CB-CE2 4.22Å; P793-F865 HydrophobicContact CB-CZ 4.27Å; P793-F865 HydrophobicContact CG-CE2 4.03Å; P793-F865 HydrophobicContact CG-CZ 4.07Å; P793-L879 HydrophobicContact CG-CD1 3.97Å; P793-H882 HydrophobicContact CG-CB 4.23Å; P793-F900 HydrophobicContact CG-CD1 3.83Å
794E84.8Confident87Confident60 Ų6023.3 Ų23.328%0.2813%0.128SC..PPolyproline II helixtrans-52.7116.6-177.3-70.4176.8-155.800111.6Y294 M906Y294-E794 WeakPolarHBondContact CE2-OE1 3.39Å; Y294-E794 PolarHBondContact OH-OE1 3.06Å; E794-M906 WeakPolarHBondContact O-CG 3.29Å
795A90.4Very high87.1Confident2 Ų222.7 Ų22.72%0.01713%0.125CC..SBendtrans-77.3-32.6179.600000111.8P793 V858 A861 M906 A909P793-A795 PolarHBondContact O-N 3.21Å; P793-A795 VanDerWaalsContact O-N 3.11Å; A795-V858 HydrophobicContact CB-CG2 4.41Å; A795-A861 HydrophobicContact CB-CB 4.17Å; A795-M906 WeakPolarHBondContact O-CA 3.45Å; A795-A909 HydrophobicContact CB-CB 4.13Å; A795-A909 VanDerWaalsContact O-CB 3.29Å; A795-A909 WeakPolarHBondContact O-CB 3.29Å
796L90.6Very high87.1Confident9 Ų922.9 Ų22.95%0.04713%0.128CC..  trans-144.3142.5-177.7-66.5170.1000109.4L801 T857 A909 L910 L913L796-L801 HydrophobicContact CB-CD2 4.09Å; L796-L801 HydrophobicContact CB-CG 4.41Å; L796-L801 HydrophobicContact CD1-CD2 3.84Å; L796-L801 HydrophobicContact CG-CD2 4.47Å; L796-T857 HydrophobicContact CD1-CG2 4.47Å; L796-A909 HydrophobicContact CD2-CB 4.04Å; L796-A909 HydrophobicContact CG-CB 4.24Å; L796-L910 HydrophobicContact CD2-CB 3.94Å; L796-L910 HydrophobicContact CD2-CD1 4.21Å; L796-L913 HydrophobicContact CD1-CD2 3.89Å
797I85.3Confident87.2Confident16 Ų1622.3 Ų22.38%0.08213%0.127CC..  trans-109.3157.6178.260.5167.4000111.5V799 Q800 L801 M906 Q967I797-V799 VanDerWaalsContact C-N 3.32Å; I797-V799 PolarHBondContact O-N 3.35Å; I797-Q800 HydrophobicContact CD1-CG 4.2Å; I797-Q800 HydrophobicContact CG1-CB 4.21Å; I797-Q800 VanDerWaalsContact CG1-CD 3.4Å; I797-Q800 HydrophobicContact CG1-CG 3.58Å; I797-Q800 WeakPolarHBondContact O-CB 3.48Å; I797-Q800 PolarHBondContact O-N 2.99Å; I797-L801 PolarHBondContact O-N 3.12Å; I797-M906 HydrophobicContact CG2-SD 3.92Å; I797-Q967 HydrophobicContact CD1-CB 4.12Å; I797-Q967 HydrophobicContact CD1-CG 4.12Å
798P81.9Confident87.5Confident5 Ų522 Ų223%0.03212%0.124CC..Hα-helixtrans-53.6-43.8-175.6-27.734.8000114.1E90 A301 Q800 L801 L802E90-P798 HydrophobicContact CG-CB 4.19Å; A301-P798 HydrophobicContact CB-CG 3.67Å; P798-Q800 PolarHBondContact O-N 3.32Å; P798-L801 PolarHBondContact O-N 3.41Å; P798-L801 VanDerWaalsContact O-N 3.08Å; P798-L802 WeakPolarHBondContact O-CG 3.47Å; P798-L802 PolarHBondContact O-N 3.22Å
799V84.3Confident88Confident17 Ų1721.6 Ų21.610%0.10312%0.121CC..Hα-helixtrans-60.6-34.7-178.4-179.10000112E90 I797 W803 F966E90-V799 HydrophobicContact CB-CG2 4.1Å; E90-V799 HydrophobicContact CG-CG2 4.38Å; I797-V799 VanDerWaalsContact C-N 3.32Å; I797-V799 PolarHBondContact O-N 3.35Å; V799-W803 PolarHBondContact O-N 2.76Å; V799-F966 HydrophobicContact CG1-CD1 3.83Å; V799-F966 HydrophobicContact CG1-CE1 3.79Å; V799-F966 WeakPolarHBondContact O-CE1 3.25Å
800Q90.5Very high88.4Confident1 Ų120 Ų201%0.00511%0.109CC..Hα-helixtrans-69.8-43.6175.5-66.6166.9-400111.2I797 P798 W803 V804 L910 F966I797-Q800 HydrophobicContact CD1-CG 4.2Å; I797-Q800 HydrophobicContact CG1-CB 4.21Å; I797-Q800 VanDerWaalsContact CG1-CD 3.4Å; I797-Q800 HydrophobicContact CG1-CG 3.58Å; I797-Q800 WeakPolarHBondContact O-CB 3.48Å; I797-Q800 PolarHBondContact O-N 2.99Å; P798-Q800 PolarHBondContact O-N 3.32Å; Q800-W803 WeakPolarHBondContact O-CB 3.17Å; Q800-W803 PolarHBondContact O-N 3.24Å; Q800-V804 WeakPolarHBondContact O-CG2 3.43Å; Q800-V804 PolarHBondContact O-N 3.08Å; Q800-L910 HydrophobicContact CB-CD1 4.1Å; Q800-L910 HydrophobicContact CB-CD2 4.46Å; Q800-L910 HydrophobicContact CG-CD2 4.22Å; Q800-F966 HydrophobicContact CG-CB 4.5Å; Q800-F966 HydrophobicContact CG-CD1 4.4Å; Q800-F966 PolarHBondContact NE2-O 3.48Å
801L89.9Confident88.8Confident0 Ų019.5 Ų19.50%011%0.106CC..Hα-helixtrans-65.4-41.3-179.5-59.9171.9000111.7A305 E780 I784 L796 I797 P798 W803 V804 N805 L913A305-L801 HydrophobicContact CB-CD1 3.78Å; E780-L801 HydrophobicContact CB-CD2 4.15Å; E780-L801 HydrophobicContact CG-CD2 3.87Å; I784-L801 HydrophobicContact CD1-CD1 3.73Å; L796-L801 HydrophobicContact CB-CD2 4.09Å; L796-L801 HydrophobicContact CB-CG 4.41Å; L796-L801 HydrophobicContact CD1-CD2 3.84Å; L796-L801 HydrophobicContact CG-CD2 4.47Å; I797-L801 PolarHBondContact O-N 3.12Å; P798-L801 PolarHBondContact O-N 3.41Å; P798-L801 VanDerWaalsContact O-N 3.08Å; L801-W803 VanDerWaalsContact C-N 3.26Å; L801-W803 PolarHBondContact O-N 3.46Å; L801-V804 PolarHBondContact O-N 2.55Å; L801-V804 VanDerWaalsContact O-N 3.15Å; L801-N805 WeakPolarHBondContact O-CB 3.38Å; L801-N805 PolarHBondContact O-N 2.86Å; L801-N805 PolarHBondContact O-ND2 3.13Å; L801-L913 HydrophobicContact CD2-CD2 4.24Å
802L86.4Confident89.4Confident5 Ų518.3 Ų18.33%0.02610%0.095CC..Hα-helixtrans-55.5-43.6172.6-69.3175.6000111.3V93 I94 I97 V304 E309 P798 L806V93-L802 HydrophobicContact CB-CD1 4.21Å; V93-L802 HydrophobicContact CG1-CD1 3.68Å; I94-L802 HydrophobicContact CG1-CD1 4.03Å; I97-L802 HydrophobicContact CD1-CD2 3.89Å; V304-L802 HydrophobicContact CG1-CD2 3.44Å; V304-L802 VanDerWaalsContact CG1-CD2 3.44Å; V304-L802 HydrophobicContact CG1-CG 3.86Å; E309-L802 WeakPolarHBondContact OE1-CD2 3.49Å; E309-L802 WeakPolarHBondContact OE2-CD2 3.49Å; P798-L802 WeakPolarHBondContact O-CG 3.47Å; P798-L802 PolarHBondContact O-N 3.22Å; L802-L806 WeakPolarHBondContact O-CB 3.37Å; L802-L806 PolarHBondContact O-N 2.84Å
803W91Very high89.7Confident68 Ų6817.5 Ų17.526%0.2589%0.09SC..Hα-helixtrans-67.7-40.7177.7-179.8-93.4000112.4V799 Q800 L801 V807 T808 I956 F966V799-W803 PolarHBondContact O-N 2.76Å; Q800-W803 WeakPolarHBondContact O-CB 3.17Å; Q800-W803 PolarHBondContact O-N 3.24Å; L801-W803 VanDerWaalsContact C-N 3.26Å; L801-W803 PolarHBondContact O-N 3.46Å; W803-V807 HydrophobicContact CD2-CB 4.18Å; W803-V807 HydrophobicContact CD2-CG2 4.13Å; W803-V807 HydrophobicContact CE3-CB 4.42Å; W803-V807 HydrophobicContact CE3-CG2 3.87Å; W803-V807 HydrophobicContact CH2-CG1 4.2Å; W803-V807 HydrophobicContact CH2-CG2 4.23Å; W803-V807 HydrophobicContact CZ2-CB 4.28Å; W803-V807 HydrophobicContact CZ2-CG1 3.89Å; W803-V807 HydrophobicContact CZ2-CG2 4.46Å; W803-V807 HydrophobicContact CZ3-CG2 3.93Å; W803-V807 WeakPolarHBondContact O-CA 3.21Å; W803-V807 WeakPolarHBondContact O-CB 3.37Å; W803-V807 PolarHBondContact O-N 2.92Å; W803-T808 PolarHBondContact O-N 2.67Å; W803-T808 VanDerWaalsContact O-N 3.17Å; W803-I956 HydrophobicContact CZ2-CG2 3.93Å; W803-F966 HydrophobicContact CB-CE1 3.6Å; W803-F966 HydrophobicContact CB-CZ 4.01Å; W803-F966 HydrophobicContact CD2-CE1 4.31Å; W803-F966 AromaticContact CD2-CZ 3.79Å; W803-F966 HydrophobicContact CD2-CZ 3.79Å; W803-F966 HydrophobicContact CE3-CE1 4.45Å; W803-F966 AromaticContact CE3-CZ 3.7Å; W803-F966 HydrophobicContact CE3-CZ 3.7Å; W803-F966 AromaticContact CG-CE1 3.97Å; W803-F966 HydrophobicContact CG-CE1 3.97Å; W803-F966 AromaticContact CG-CZ 3.94Å; W803-F966 HydrophobicContact CG-CZ 3.94Å; W803-F966 HydrophobicContact CZ3-CZ 4.44Å
804V92.5Very high90.1Very high0 Ų018.5 Ų18.50%010%0.096CC..Iπ-helixtrans-62.9-55177.1173.20000110.4Q800 L801 L806 T808 D809 L910 L913 V914Q800-V804 WeakPolarHBondContact O-CG2 3.43Å; Q800-V804 PolarHBondContact O-N 3.08Å; L801-V804 PolarHBondContact O-N 2.55Å; L801-V804 VanDerWaalsContact O-N 3.15Å; V804-L806 VanDerWaalsContact C-N 3.33Å; V804-L806 PolarHBondContact O-N 3.43Å; V804-T808 WeakPolarHBondContact O-CB 3.48Å; V804-T808 PolarHBondContact O-N 2.86Å; V804-T808 VanDerWaalsContact O-N 3.16Å; V804-D809 WeakPolarHBondContact O-CB 3.5Å; V804-D809 PolarHBondContact O-N 2.92Å; V804-L910 HydrophobicContact CG2-CD1 3.58Å; V804-L913 HydrophobicContact CG1-CD2 4.11Å; V804-L913 HydrophobicContact CG1-CG 4.37Å; V804-L913 HydrophobicContact CG2-CD2 4.24Å; V804-V914 HydrophobicContact CG2-CG2 4.2Å
805N90.3Very high90.5Very high2 Ų215.9 Ų15.91%0.0119%0.085CC..Iπ-helixtrans-64.1-34.8-176.2-73.9-33.8000113.4N777 E780 L801N777-N805 PolarHBondContact ND2-ND2 3.26Å; E780-N805 PolarHBondContact OE1-OD1 2.89Å; E780-N805 PolarHBondContact OE2-ND2 2.69Å; E780-N805 PolarHBondContact OE2-OD1 3.35Å; L801-N805 WeakPolarHBondContact O-CB 3.38Å; L801-N805 PolarHBondContact O-N 2.86Å; L801-N805 PolarHBondContact O-ND2 3.13Å
806L87.8Confident90.6Very high69 Ų6915.8 Ų15.836%0.3618%0.084SC..Iπ-helixtrans-88.3-44.6-177.5-172.864.6000113.2I97 L802 V804I97-L806 HydrophobicContact CD1-CD2 4.4Å; I97-L806 HydrophobicContact CG1-CD2 4.34Å; L802-L806 WeakPolarHBondContact O-CB 3.37Å; L802-L806 PolarHBondContact O-N 2.84Å; V804-L806 VanDerWaalsContact C-N 3.33Å; V804-L806 PolarHBondContact O-N 3.43Å
807V91.4Very high90.5Very high32 Ų3215.5 Ų15.519%0.1948%0.083CC..Iπ-helixtrans-106.8-57.1-169.3-176.70000111W803 D809 L811 L952W803-V807 HydrophobicContact CD2-CB 4.18Å; W803-V807 HydrophobicContact CD2-CG2 4.13Å; W803-V807 HydrophobicContact CE3-CB 4.42Å; W803-V807 HydrophobicContact CE3-CG2 3.87Å; W803-V807 HydrophobicContact CH2-CG1 4.2Å; W803-V807 HydrophobicContact CH2-CG2 4.23Å; W803-V807 HydrophobicContact CZ2-CB 4.28Å; W803-V807 HydrophobicContact CZ2-CG1 3.89Å; W803-V807 HydrophobicContact CZ2-CG2 4.46Å; W803-V807 HydrophobicContact CZ3-CG2 3.93Å; W803-V807 WeakPolarHBondContact O-CA 3.21Å; W803-V807 WeakPolarHBondContact O-CB 3.37Å; W803-V807 PolarHBondContact O-N 2.92Å; V807-D809 PolarHBondContact O-N 3.33Å; V807-L811 WeakPolarHBondContact O-CG 2.96Å; V807-L811 PolarHBondContact O-N 2.7Å; V807-L952 HydrophobicContact CG1-CD1 3.76Å
808T93.6Very high90.6Very high1 Ų117.7 Ų17.71%0.0069%0.092CC..Iπ-helixtrans-62.4-46.9-173.3-55.10000111.4W803 V804 P812 V914 M918 S949W803-T808 PolarHBondContact O-N 2.67Å; W803-T808 VanDerWaalsContact O-N 3.17Å; V804-T808 WeakPolarHBondContact O-CB 3.48Å; V804-T808 PolarHBondContact O-N 2.86Å; V804-T808 VanDerWaalsContact O-N 3.16Å; T808-P812 WeakPolarHBondContact O-CD 3.39Å; T808-P812 WeakPolarHBondContact O-CG 3.4Å; T808-V914 HydrophobicContact CG2-CB 4.32Å; T808-V914 HydrophobicContact CG2-CG1 3.76Å; T808-V914 HydrophobicContact CG2-CG2 3.97Å; T808-M918 HydrophobicContact CG2-CE 4Å; T808-S949 PolarHBondContact O-OG 3Å
809D93.9Very high90.9Very high0 Ų017.8 Ų17.80%09%0.092CC..THydrogen-bonded Turntrans-90.3-28.7-179.7-70.1-6.1000112Y772 L773 S776 V804 V807 L811 P812 A813 E917Y772-D809 HydrophobicContact CE1-CB 4.1Å; Y772-D809 WeakPolarHBondContact CE1-O 3.33Å; Y772-D809 WeakPolarHBondContact OH-CA 3.47Å; Y772-D809 VanDerWaalsContact OH-CG 3.27Å; Y772-D809 PolarHBondContact OH-OD1 3.2Å; L773-D809 HydrophobicContact CD2-CB 3.79Å; S776-D809 WeakPolarHBondContact CB-OD2 3.42Å; S776-D809 PolarHBondContact OG-OD2 3.5Å; V804-D809 WeakPolarHBondContact O-CB 3.5Å; V804-D809 PolarHBondContact O-N 2.92Å; V807-D809 PolarHBondContact O-N 3.33Å; D809-L811 VanDerWaalsContact C-N 3.27Å; D809-L811 PolarHBondContact O-N 3.06Å; D809-P812 WeakPolarHBondContact O-CD 3.24Å; D809-A813 WeakPolarHBondContact O-CB 3.48Å; D809-A813 PolarHBondContact O-N 2.94Å; D809-E917 WeakPolarHBondContact OD1-CB 3.41Å
810G91.9Very high90.7Very high7 Ų719.8 Ų19.87%0.07211%0.106CC..Hα-helixtrans-58.4-36.9177.200000113.3T814G810-T814 WeakPolarHBondContact O-CB 3.23Å; G810-T814 PolarHBondContact O-N 2.94Å; G810-T814 PolarHBondContact O-OG1 3.49Å
811L94Very high90.3Very high62 Ų6223 Ų2333%0.32513%0.127SC..Hα-helixtrans-67.9-56.7178.4-71.8176.1000112.8V807 D809 A813 T814 A815 A945 V948 L952V807-L811 WeakPolarHBondContact O-CG 2.96Å; V807-L811 PolarHBondContact O-N 2.7Å; D809-L811 VanDerWaalsContact C-N 3.27Å; D809-L811 PolarHBondContact O-N 3.06Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.32Å; L811-T814 PolarHBondContact O-N 3.21Å; L811-A815 PolarHBondContact O-N 3.02Å; L811-A945 HydrophobicContact CB-CB 4.36Å; L811-V948 HydrophobicContact CD1-CB 4.35Å; L811-V948 HydrophobicContact CD1-CG1 3.71Å; L811-L952 HydrophobicContact CD1-CD1 3.85Å
812P94.6Very high89.7Confident0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-58.7-38.9173.2-21.528.5000113.2Y772 T808 D809 T814 A815 L816 M918 A921 L942 S949Y772-P812 HydrophobicContact CE1-CB 3.95Å; T808-P812 WeakPolarHBondContact O-CD 3.39Å; T808-P812 WeakPolarHBondContact O-CG 3.4Å; D809-P812 WeakPolarHBondContact O-CD 3.24Å; P812-T814 VanDerWaalsContact C-N 3.32Å; P812-T814 PolarHBondContact O-N 3.47Å; P812-A815 CarbonylContact O-C 3.59Å; P812-A815 WeakPolarHBondContact O-CA 3.42Å; P812-A815 WeakPolarHBondContact O-CB 3.44Å; P812-A815 PolarHBondContact O-N 2.75Å; P812-A815 VanDerWaalsContact O-N 3.07Å; P812-L816 WeakPolarHBondContact O-CG 3.43Å; P812-L816 PolarHBondContact O-N 3.42Å; P812-M918 HydrophobicContact CG-CE 3.59Å; P812-M918 HydrophobicContact CG-SD 4.05Å; P812-A921 HydrophobicContact CB-CB 3.83Å; P812-L942 HydrophobicContact CB-CD1 4.01Å; P812-S949 WeakPolarHBondContact CD-OG 3.22Å
813A93.8Very high89.2Confident0 Ų034 Ų340%018%0.184CC..Hα-helixtrans-60.5-42.9177.300000111.5V314 F769 Y772 L773 D809 L811 A815 L816 G817V314-A813 HydrophobicContact CG1-CB 3.9Å; V314-A813 HydrophobicContact CG2-CB 4.02Å; F769-A813 HydrophobicContact CB-CB 4.12Å; F769-A813 VanDerWaalsContact CB-O 3.29Å; F769-A813 WeakPolarHBondContact CB-O 3.4Å; Y772-A813 HydrophobicContact CD1-CB 3.88Å; Y772-A813 HydrophobicContact CE1-CB 3.98Å; L773-A813 HydrophobicContact CD1-CB 3.97Å; L773-A813 HydrophobicContact CD2-CB 3.91Å; L773-A813 HydrophobicContact CG-CB 3.9Å; D809-A813 WeakPolarHBondContact O-CB 3.48Å; D809-A813 PolarHBondContact O-N 2.94Å; L811-A813 VanDerWaalsContact C-N 3.31Å; L811-A813 PolarHBondContact O-N 3.32Å; A813-A815 VanDerWaalsContact C-N 3.33Å; A813-A815 PolarHBondContact O-N 3.36Å; A813-L816 PolarHBondContact O-N 2.89Å; A813-G817 PolarHBondContact O-N 3.5Å
814T92.5Very high88.8Confident32 Ų3233.4 Ų33.420%0.19619%0.186CC..Hα-helixtrans-63.6-40173.2-57.10000111.5T317 G810 L811 P812 L816 G817T317-T814 HydrophobicContact CG2-CG2 3.67Å; G810-T814 WeakPolarHBondContact O-CB 3.23Å; G810-T814 PolarHBondContact O-N 2.94Å; G810-T814 PolarHBondContact O-OG1 3.49Å; L811-T814 PolarHBondContact O-N 3.21Å; P812-T814 VanDerWaalsContact C-N 3.32Å; P812-T814 PolarHBondContact O-N 3.47Å; T814-L816 PolarHBondContact O-N 3.5Å; T814-G817 WeakPolarHBondContact O-CA 3.25Å; T814-G817 PolarHBondContact O-N 2.77Å; T814-G817 VanDerWaalsContact O-N 3.1Å
815A93.5Very high88.5Confident6 Ų633.8 Ų33.85%0.0519%0.188CC..Hα-helixtrans-66.9-34.8179.100000113.3L811 P812 A813 G817 F818 N939 W941 L942 A945L811-A815 PolarHBondContact O-N 3.02Å; P812-A815 CarbonylContact O-C 3.59Å; P812-A815 WeakPolarHBondContact O-CA 3.42Å; P812-A815 WeakPolarHBondContact O-CB 3.44Å; P812-A815 PolarHBondContact O-N 2.75Å; P812-A815 VanDerWaalsContact O-N 3.07Å; A813-A815 VanDerWaalsContact C-N 3.33Å; A813-A815 PolarHBondContact O-N 3.36Å; A815-G817 PolarHBondContact O-N 2.82Å; A815-F818 WeakPolarHBondContact O-CB 3.37Å; A815-F818 PolarHBondContact O-N 3.37Å; A815-N939 PolarHBondContact O-ND2 3.36Å; A815-W941 HydrophobicContact CB-CB 4.34Å; A815-L942 HydrophobicContact CB-CB 4.26Å; A815-L942 HydrophobicContact CB-CD1 4.13Å; A815-A945 HydrophobicContact CB-CB 3.67Å
816L92.2Very high88.4Confident0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-61.3-24.7171.9-72.7173.2000112.3F769 Y772 P812 A813 T814 F818 N819 S924 L942F769-L816 HydrophobicContact CB-CB 3.93Å; F769-L816 HydrophobicContact CB-CD1 4.13Å; Y772-L816 HydrophobicContact CD1-CD1 3.97Å; Y772-L816 HydrophobicContact CG-CD1 4.06Å; P812-L816 WeakPolarHBondContact O-CG 3.43Å; P812-L816 PolarHBondContact O-N 3.42Å; A813-L816 PolarHBondContact O-N 2.89Å; T814-L816 PolarHBondContact O-N 3.5Å; L816-F818 PolarHBondContact O-N 3.09Å; L816-F818 VanDerWaalsContact O-N 3.11Å; L816-N819 WeakPolarHBondContact O-CB 3.33Å; L816-N819 PolarHBondContact O-N 2.9Å; L816-N819 VanDerWaalsContact O-N 3.09Å; L816-S924 WeakPolarHBondContact CD2-O 3.41Å; L816-L942 HydrophobicContact CD2-CD1 4.2Å; L816-L942 HydrophobicContact CD2-CD2 3.99Å; L816-L942 HydrophobicContact CG-CD1 4.18Å
817G89Confident88.4Confident2 Ų236.9 Ų36.92%0.02120%0.201CC..THydrogen-bonded Turntrans-56.5-20.3168.100000114.5R325 N765 A813 T814 A815R325-G817 PolarHBondContact NH2-O 3.18Å; N765-G817 PolarHBondContact ND2-O 2.69Å; A813-G817 PolarHBondContact O-N 3.5Å; T814-G817 WeakPolarHBondContact O-CA 3.25Å; T814-G817 PolarHBondContact O-N 2.77Å; T814-G817 VanDerWaalsContact O-N 3.1Å; A815-G817 PolarHBondContact O-N 2.82Å
818F88.6Confident88Confident63 Ų6340.5 Ų40.528%0.27621%0.211SC..THydrogen-bonded Turntrans-10012.6178.4-65.4-87.9000114.4L321 A815 L816 W941L321-F818 HydrophobicContact CD1-CE1 4.09Å; L321-F818 HydrophobicContact CD1-CE2 3.53Å; L321-F818 HydrophobicContact CD1-CZ 3.23Å; L321-F818 HydrophobicContact CD2-CE1 4.31Å; L321-F818 HydrophobicContact CD2-CZ 3.84Å; L321-F818 HydrophobicContact CG-CZ 4.05Å; A815-F818 WeakPolarHBondContact O-CB 3.37Å; A815-F818 PolarHBondContact O-N 3.37Å; L816-F818 PolarHBondContact O-N 3.09Å; L816-F818 VanDerWaalsContact O-N 3.11Å; F818-W941 HydrophobicContact CB-CB 4.47Å; F818-W941 HydrophobicContact CB-CG 4.44Å; F818-W941 HydrophobicContact CD2-CB 4.45Å; F818-W941 HydrophobicContact CD2-CG 4.48Å; F818-W941 HydrophobicContact CG-CG 4.36Å
819N86.6Confident87.9Confident7 Ų745.1 Ų45.14%0.03724%0.241CC..PPolyproline II helixtrans-58.5142.6173.4-76.5-10.7000110.9N765 L816 L925 N939N765-N819 PolarHBondContact ND2-N 3.18Å; N765-N819 PolarHBondContact ND2-O 2.9Å; N765-N819 WeakPolarHBondContact OD1-CB 3.22Å; L816-N819 WeakPolarHBondContact O-CB 3.33Å; L816-N819 PolarHBondContact O-N 2.9Å; L816-N819 VanDerWaalsContact O-N 3.09Å; N819-L925 PolarHBondContact ND2-O 2.91Å; N819-N939 PolarHBondContact OD1-ND2 3.43Å
820P82.1Confident87.7Confident59 Ų5946.5 Ų46.538%0.38325%0.25SC..PPolyproline II helixtrans-66.9148.9177.328.9-34.8000111V938P820-V938 HydrophobicContact CG-CG1 3.46Å; P820-V938 VanDerWaalsContact CG-CG1 3.46Å
821P81.1Confident87.4Confident68 Ų6848.1 Ų48.144%0.44225%0.254SS..PPolyproline II helixtrans-67.9151.7177.328.5-34.4000112.2A761 I825A761-P821 HydrophobicContact CB-CB 3.79Å; P821-I825 HydrophobicContact CB-CD1 4.44Å
822D77.5Confident87Confident52 Ų5249.2 Ų49.228%0.27826%0.26SS..PPolyproline II helixtrans-61.5140.8169.3-74.1-12.7000110.7D824 I825 R828D822-D824 VanDerWaalsContact C-N 3.26Å; D822-D824 PolarHBondContact O-N 3.22Å; D822-I825 HydrophobicContact CB-CB 4.27Å; D822-I825 WeakPolarHBondContact O-CB 3.4Å; D822-I825 WeakPolarHBondContact O-CG2 3.3Å; D822-I825 PolarHBondContact O-N 3.22Å; D822-R828 IonicContact OD2-CZ 2.68Å; D822-R828 IonicContact OD2-NH1 3.38Å; D822-R828 PolarHBondContact OD2-NH1 3.47Å; D822-R828 IonicContact OD2-NH2 3.79Å; D822-R828 PolarHBondContact OD2-NH2 3.36Å
823L76.4Confident86.3Confident183 Ų18351 Ų5196%0.95827%0.269SS*.THydrogen-bonded Turntrans-65.3-29.3-179.6-66172.6000113.1
824D82.5Confident85.6Confident56 Ų5659 Ų5930%0.29930%0.304SS..THydrogen-bonded Turntrans-9814.7-177.965.7-41.5000112.9D822 M826 E827 R828D822-D824 VanDerWaalsContact C-N 3.26Å; D822-D824 PolarHBondContact O-N 3.22Å; D824-M826 PolarHBondContact O-N 3.49Å; D824-M826 VanDerWaalsContact O-N 3.11Å; D824-E827 HydrophobicContact CB-CB 4.39Å; D824-E827 HydrophobicContact CB-CG 4.48Å; D824-E827 WeakPolarHBondContact O-CB 3.27Å; D824-E827 PolarHBondContact O-N 2.92Å; D824-R828 PolarHBondContact O-N 2.9Å; D824-R828 IonicContact OD1-CZ 2.82Å; D824-R828 IonicContact OD1-NE 3.58Å; D824-R828 IonicContact OD1-NH2 2.75Å; D824-R828 PolarHBondContact OD1-NH2 2.85Å; D824-R828 IonicContact OD2-CZ 3.13Å; D824-R828 IonicContact OD2-NE 2.83Å; D824-R828 PolarHBondContact OD2-NE 2.97Å; D824-R828 IonicContact OD2-NH2 3.75Å; D824-R828 PolarHBondContact OD2-NH2 3.09Å
825I85.1Confident85Confident8 Ų861 Ų614%0.04131%0.314CS..THydrogen-bonded Turntrans-60.9-28.1-173-157.9158.8000113.8E757 R760 A761 P821 D822E757-I825 HydrophobicContact CG-CG2 4.02Å; R760-I825 HydrophobicContact CB-CD1 3.67Å; R760-I825 HydrophobicContact CB-CG1 3.65Å; R760-I825 PolarHBondContact NH1-O 3.06Å; A761-I825 HydrophobicContact CB-CD1 4.07Å; P821-I825 HydrophobicContact CB-CD1 4.44Å; D822-I825 HydrophobicContact CB-CB 4.27Å; D822-I825 WeakPolarHBondContact O-CB 3.4Å; D822-I825 WeakPolarHBondContact O-CG2 3.3Å; D822-I825 PolarHBondContact O-N 3.22Å
826M88.3Confident84.2Confident21 Ų2164.1 Ų64.110%0.10333%0.333CS..THydrogen-bonded Turntrans-94.84.3175.6-68-58.8-71.400113.7S626 V753 E757 D824S626-M826 VanDerWaalsContact CA-O 3.22Å; S626-M826 WeakPolarHBondContact CA-O 3.18Å; S626-M826 WeakPolarHBondContact CB-O 3.48Å; S626-M826 PolarHBondContact N-O 3.28Å; V753-M826 HydrophobicContact CG1-CE 3.77Å; E757-M826 HydrophobicContact CB-CG 4.06Å; E757-M826 HydrophobicContact CB-SD 3.73Å; E757-M826 HydrophobicContact CG-CG 3.83Å; E757-M826 HydrophobicContact CG-SD 4.14Å; D824-M826 PolarHBondContact O-N 3.49Å; D824-M826 VanDerWaalsContact O-N 3.11Å
827E87.6Confident83.4Confident116 Ų11664.9 Ų64.954%0.54234%0.337SS..THydrogen-bonded Turntrans-100.8-14.8173.5-52.4-163.1150.900112.3K625 D824K625-E827 WeakPolarHBondContact CE-OE1 3.31Å; K625-E827 IonicContact NZ-OE1 3.66Å; K625-E827 PolarHBondContact NZ-OE1 3.45Å; D824-E827 HydrophobicContact CB-CB 4.39Å; D824-E827 HydrophobicContact CB-CG 4.48Å; D824-E827 WeakPolarHBondContact O-CB 3.27Å; D824-E827 PolarHBondContact O-N 2.92Å
828R83.6Confident82.8Confident108 Ų10866.5 Ų66.541%0.40835%0.345SS..SBendtrans-83.8148175.6-60.6-177.6-169.8157.87111S626 R760 D822 D824S626-R828 VanDerWaalsContact O-O 3.12Å; R760-R828 PolarHBondContact NH1-O 2.96Å; D822-R828 IonicContact OD2-CZ 2.68Å; D822-R828 IonicContact OD2-NH1 3.38Å; D822-R828 PolarHBondContact OD2-NH1 3.47Å; D822-R828 IonicContact OD2-NH2 3.79Å; D822-R828 PolarHBondContact OD2-NH2 3.36Å; D824-R828 PolarHBondContact O-N 2.9Å; D824-R828 IonicContact OD1-CZ 2.82Å; D824-R828 IonicContact OD1-NE 3.58Å; D824-R828 IonicContact OD1-NH2 2.75Å; D824-R828 PolarHBondContact OD1-NH2 2.85Å; D824-R828 IonicContact OD2-CZ 3.13Å; D824-R828 IonicContact OD2-NE 2.83Å; D824-R828 PolarHBondContact OD2-NE 2.97Å; D824-R828 IonicContact OD2-NH2 3.75Å; D824-R828 PolarHBondContact OD2-NH2 3.09Å
829P90.3Very high82.2Confident97 Ų9766 Ų6663%0.6335%0.349SS*.PPolyproline II helixtrans-66164.617229.7-35.2000111.4
830P91.3Very high82Confident29 Ų2968.7 Ų68.719%0.18838%0.379CS..PPolyproline II helixtrans-55.5142.1171-2032000111.2T345 S626 G627 I628T345-P830 WeakPolarHBondContact O-CG 3.32Å; S626-P830 WeakPolarHBondContact O-CD 3.18Å; G627-P830 WeakPolarHBondContact O-CD 3.45Å; I628-P830 HydrophobicContact CG1-CG 4.14Å
831R85.7Confident82.2Confident42 Ų4269.2 Ų69.216%0.15837%0.373CS..PPolyproline II helixtrans-64.3143175.8-176.4-176.872.399.7-11.7109.9E340 C344 Y763 D835E340-R831 IonicContact OE1-NH2 3.69Å; E340-R831 PolarHBondContact OE1-NH2 3.06Å; E340-R831 VanDerWaalsContact OE1-NH2 3.12Å; C344-R831 PolarHBondContact SG-NE 3.4Å; C344-R831 VanDerWaalsContact SG-NE 3.43Å; Y763-R831 VanDerWaalsContact CZ-CD 3.42Å; Y763-R831 VanDerWaalsContact CZ-NE 3.31Å; Y763-R831 WeakPolarHBondContact OH-CD 3.44Å; Y763-R831 PolarHBondContact OH-NE 3.43Å; Y763-R831 PolarHBondContact OH-NH1 3.16Å; R831-D835 HydrophobicContact CG-CB 4.17Å; R831-D835 WeakPolarHBondContact CG-OD2 3.13Å; R831-D835 PolarHBondContact NH1-O 2.94Å
832N83.8Confident82.3Confident85 Ų8566 Ų6646%0.45535%0.353SS..PPolyproline II helixtrans-74.7131.7170.3-166.7-42000109.6K834 D835N832-K834 PolarHBondContact O-N 3.27Å; N832-K834 VanDerWaalsContact O-N 3.08Å; N832-K834 WeakPolarHBondContact OD1-CB 3.37Å; N832-K834 PolarHBondContact OD1-N 2.93Å; N832-D835 PolarHBondContact N-OD2 3.36Å; N832-D835 VanDerWaalsContact O-CB 3.28Å; N832-D835 WeakPolarHBondContact O-CB 3.39Å; N832-D835 PolarHBondContact O-N 3.4Å
833I81.1Confident82.6Confident37 Ų3769.1 Ų69.119%0.1936%0.364CS..THydrogen-bonded Turntrans-53.4-32.9176.7-57.8172000111.2P248 K252 G704 V706 D835P248-I833 HydrophobicContact CB-CG2 4.14Å; P248-I833 HydrophobicContact CG-CG2 4.34Å; K252-I833 VanDerWaalsContact CE-O 3.3Å; K252-I833 WeakPolarHBondContact CE-O 3.35Å; G704-I833 WeakPolarHBondContact O-CD1 3.29Å; V706-I833 HydrophobicContact CG2-CD1 3.39Å; V706-I833 HydrophobicContact CG2-CG1 3.48Å; V706-I833 VanDerWaalsContact CG2-CG1 3.48Å; I833-D835 VanDerWaalsContact C-N 3.28Å; I833-D835 PolarHBondContact O-N 2.97Å
834K79.2Confident83.2Confident169 Ų16965.9 Ų65.974%0.73534%0.342SS*.THydrogen-bonded Turntrans-76.5-12.9-179.2-60.3-177.1-177.7176.60113.6N832N832-K834 PolarHBondContact O-N 3.27Å; N832-K834 VanDerWaalsContact O-N 3.08Å; N832-K834 WeakPolarHBondContact OD1-CB 3.37Å; N832-K834 PolarHBondContact OD1-N 2.93Å
835D78.9Confident83.6Confident74 Ų7463.5 Ų63.540%0.39633%0.329SS..  trans-60.7127.1179.2-70.9-23.1000109.8R831 N832 I833R831-D835 HydrophobicContact CG-CB 4.17Å; R831-D835 WeakPolarHBondContact CG-OD2 3.13Å; R831-D835 PolarHBondContact NH1-O 2.94Å; N832-D835 PolarHBondContact N-OD2 3.36Å; N832-D835 VanDerWaalsContact O-CB 3.28Å; N832-D835 WeakPolarHBondContact O-CB 3.39Å; N832-D835 PolarHBondContact O-N 3.4Å; I833-D835 VanDerWaalsContact C-N 3.28Å; I833-D835 PolarHBondContact O-N 2.97Å
836P77.7Confident83.6Confident71 Ų7163.7 Ų63.746%0.46133%0.329SS..  trans-71.1148.517929.4-34.1000110.8I838P836-I838 PolarHBondContact O-N 3.17Å
837L74.3Confident83.6Confident15 Ų1565 Ų658%0.07934%0.338CS..SBendtrans-58-35.3170.8-79.3156.1000111.4K252 K767 I770K252-L837 HydrophobicContact CB-CD1 3.73Å; K252-L837 HydrophobicContact CB-CG 4.36Å; K767-L837 WeakPolarHBondContact CE-O 2.86Å; K767-L837 HydrophobicContact CG-CD2 4.35Å; I770-L837 HydrophobicContact CD1-CD2 4.15Å
838I76.8Confident83.8Confident37 Ų3761.1 Ų61.119%0.1933%0.326CS..SBendtrans-123.1113-178.7-51.2177.5000109.3I774 P836 L842 F843 Y846I774-I838 HydrophobicContact CD1-CD1 4.01Å; I774-I838 HydrophobicContact CG2-CD1 4.5Å; P836-I838 PolarHBondContact O-N 3.17Å; I838-L842 HydrophobicContact CG2-CB 4.28Å; I838-L842 HydrophobicContact CG2-CD2 4.37Å; I838-F843 HydrophobicContact CG2-CB 3.67Å; I838-F843 HydrophobicContact CG2-CD2 4.32Å; I838-Y846 HydrophobicContact CG2-CD2 4.12Å; I838-Y846 HydrophobicContact CG2-CE2 4.14Å
839S76.8Confident84.3Confident52 Ų5256.1 Ų56.136%0.36431%0.307SS..  trans-79.2164.4173.770.50000111.1W841 L842 F843S839-W841 PolarHBondContact O-N 3.03Å; S839-L842 CarbonylContact O-C 3.43Å; S839-L842 WeakPolarHBondContact O-CB 3.48Å; S839-L842 PolarHBondContact O-N 2.91Å; S839-L842 VanDerWaalsContact O-N 3.08Å; S839-L842 WeakPolarHBondContact OG-CB 3.38Å; S839-F843 WeakPolarHBondContact O-CB 3.1Å; S839-F843 PolarHBondContact O-N 3.2Å
840G82.4Confident84.3Confident64 Ų6451.5 Ų51.566%0.6628%0.277SS*.Hα-helixtrans-57.4-43.6-175.800000114.6L842 F843 F844G840-L842 VanDerWaalsContact C-N 3.32Å; G840-F843 PolarHBondContact O-N 3.48Å; G840-F844 PolarHBondContact O-N 2.93Å; G840-F844 VanDerWaalsContact O-N 3.13Å
841W86.1Confident84.4Confident70 Ų7053.1 Ų53.127%0.26529%0.286SS..Hα-helixtrans-63.9-41.6175.2172.9-110.9000111.9S839 F844 R845 L993 I996 T1001S839-W841 PolarHBondContact O-N 3.03Å; W841-F844 HydrophobicContact CE3-CD1 4.2Å; W841-F844 HydrophobicContact CH2-CD1 4.34Å; W841-F844 HydrophobicContact CH2-CE1 4.43Å; W841-F844 AromaticContact CZ3-CD1 3.87Å; W841-F844 HydrophobicContact CZ3-CD1 3.87Å; W841-F844 HydrophobicContact CZ3-CE1 4.19Å; W841-F844 PolarHBondContact O-N 2.98Å; W841-R845 PolarHBondContact O-N 3.03Å; W841-L993 HydrophobicContact CH2-CD2 4.5Å; W841-I996 HydrophobicContact CH2-CB 4.2Å; W841-I996 HydrophobicContact CH2-CG2 3.52Å; W841-I996 HydrophobicContact CZ2-CB 4.03Å; W841-I996 HydrophobicContact CZ2-CG2 3.69Å; W841-I996 HydrophobicContact CZ3-CG2 4.45Å; W841-T1001 HydrophobicContact CB-CG2 4.3Å; W841-T1001 HydrophobicContact CD2-CG2 4.24Å; W841-T1001 HydrophobicContact CG-CG2 4.03Å
842L82.3Confident84.9Confident1 Ų153.6 Ų53.61%0.00529%0.289CS..Hα-helixtrans-68.1-39.6-178.1-157.679.4000111.4R771 I838 S839 G840 R845 Y846 E927R771-L842 HydrophobicContact CG-CD2 4.39Å; I838-L842 HydrophobicContact CG2-CB 4.28Å; I838-L842 HydrophobicContact CG2-CD2 4.37Å; S839-L842 CarbonylContact O-C 3.43Å; S839-L842 WeakPolarHBondContact O-CB 3.48Å; S839-L842 PolarHBondContact O-N 2.91Å; S839-L842 VanDerWaalsContact O-N 3.08Å; S839-L842 WeakPolarHBondContact OG-CB 3.38Å; G840-L842 VanDerWaalsContact C-N 3.32Å; L842-R845 WeakPolarHBondContact O-CB 3.41Å; L842-R845 PolarHBondContact O-N 3.11Å; L842-Y846 HydrophobicContact CB-CE2 4.36Å; L842-Y846 HydrophobicContact CD1-CE2 4.43Å; L842-Y846 VanDerWaalsContact CD1-OH 3.3Å; L842-Y846 WeakPolarHBondContact CD1-OH 3.44Å; L842-Y846 HydrophobicContact CD2-CE2 3.64Å; L842-Y846 VanDerWaalsContact CD2-OH 3.27Å; L842-Y846 WeakPolarHBondContact CD2-OH 3.49Å; L842-Y846 HydrophobicContact CG-CD2 4.41Å; L842-Y846 HydrophobicContact CG-CE1 4.48Å; L842-Y846 HydrophobicContact CG-CE2 3.45Å; L842-Y846 VanDerWaalsContact CG-CE2 3.45Å; L842-Y846 VanDerWaalsContact CG-CZ 3.46Å; L842-Y846 WeakPolarHBondContact CG-OH 3.31Å; L842-Y846 WeakPolarHBondContact O-CD2 3.5Å; L842-Y846 PolarHBondContact O-N 2.53Å; L842-Y846 VanDerWaalsContact O-N 3.08Å; L842-E927 HydrophobicContact CD1-CG 4.17Å
843F84Confident85.5Confident117 Ų11749.6 Ų49.651%0.51327%0.267SS..Hα-helixtrans-57.8-48.5171.9-179.8-101.5000111.1I838 S839 G840 R845 Y846 V847I838-F843 HydrophobicContact CG2-CB 3.67Å; I838-F843 HydrophobicContact CG2-CD2 4.32Å; S839-F843 WeakPolarHBondContact O-CB 3.1Å; S839-F843 PolarHBondContact O-N 3.2Å; G840-F843 PolarHBondContact O-N 3.48Å; F843-R845 VanDerWaalsContact C-N 3.32Å; F843-R845 PolarHBondContact O-N 2.7Å; F843-Y846 PolarHBondContact O-N 3.16Å; F843-V847 HydrophobicContact CD1-CG2 4.19Å; F843-V847 HydrophobicContact CE1-CG2 3.77Å; F843-V847 HydrophobicContact CE2-CG2 4.21Å; F843-V847 HydrophobicContact CZ-CG2 3.78Å; F843-V847 WeakPolarHBondContact O-CG2 3.19Å; F843-V847 PolarHBondContact O-N 3Å
844F90Very high86.1Confident114 Ų11447.8 Ų47.850%0.526%0.258SS..Hα-helixtrans-58.2-44.2176.7170.7-99.6000112.2G840 W841 Y846 V847 A848G840-F844 PolarHBondContact O-N 2.93Å; G840-F844 VanDerWaalsContact O-N 3.13Å; W841-F844 HydrophobicContact CE3-CD1 4.2Å; W841-F844 HydrophobicContact CH2-CD1 4.34Å; W841-F844 HydrophobicContact CH2-CE1 4.43Å; W841-F844 AromaticContact CZ3-CD1 3.87Å; W841-F844 HydrophobicContact CZ3-CD1 3.87Å; W841-F844 HydrophobicContact CZ3-CE1 4.19Å; W841-F844 PolarHBondContact O-N 2.98Å; F844-Y846 VanDerWaalsContact C-N 3.33Å; F844-Y846 PolarHBondContact O-N 2.79Å; F844-V847 PolarHBondContact O-N 2.91Å; F844-A848 WeakPolarHBondContact O-CB 3.46Å; F844-A848 PolarHBondContact O-N 2.62Å
845R90Very high86.9Confident6 Ų642.9 Ų42.92%0.02324%0.244CC..Hα-helixtrans-58.4-43.5177.4173.9168.4174.1-154.2-12.5112W841 L842 F843 A848 I849 E927 D990 L993W841-R845 PolarHBondContact O-N 3.03Å; L842-R845 WeakPolarHBondContact O-CB 3.41Å; L842-R845 PolarHBondContact O-N 3.11Å; F843-R845 VanDerWaalsContact C-N 3.32Å; F843-R845 PolarHBondContact O-N 2.7Å; R845-A848 PolarHBondContact O-N 2.54Å; R845-I849 HydrophobicContact CG-CD1 4.12Å; R845-I849 WeakPolarHBondContact O-CG1 3.48Å; R845-I849 PolarHBondContact O-N 3.01Å; R845-E927 PolarHBondContact NH1-O 3.28Å; R845-E927 PolarHBondContact NH2-O 3.49Å; R845-D990 IonicContact CZ-OD1 3.87Å; R845-D990 IonicContact CZ-OD2 3.83Å; R845-D990 IonicContact NE-OD1 2.65Å; R845-D990 PolarHBondContact NE-OD1 3.28Å; R845-D990 IonicContact NH2-OD1 2.7Å; R845-D990 PolarHBondContact NH2-OD1 3.1Å; R845-D990 IonicContact NH2-OD2 3.6Å; R845-D990 PolarHBondContact NH2-OD2 2.85Å; R845-L993 HydrophobicContact CB-CD1 4.47Å; R845-L993 HydrophobicContact CG-CB 4.18Å; R845-L993 HydrophobicContact CG-CD1 3.85Å
846Y84.8Confident87.7Confident13 Ų1339.7 Ų39.75%0.05123%0.228CC..Hα-helixtrans-70.9-37.4177.9-57.1-36.8000113.3R771 I838 L842 F843 F844 A848 I849 G850R771-Y846 HydrophobicContact CB-CE1 4.18Å; R771-Y846 HydrophobicContact CB-CE2 3.96Å; R771-Y846 WeakPolarHBondContact CB-OH 3.33Å; R771-Y846 WeakPolarHBondContact CD-OH 3.18Å; R771-Y846 HydrophobicContact CG-CE2 3.69Å; R771-Y846 WeakPolarHBondContact CG-OH 3.31Å; R771-Y846 PolarHBondContact NE-OH 3.32Å; I838-Y846 HydrophobicContact CG2-CD2 4.12Å; I838-Y846 HydrophobicContact CG2-CE2 4.14Å; L842-Y846 HydrophobicContact CB-CE2 4.36Å; L842-Y846 HydrophobicContact CD1-CE2 4.43Å; L842-Y846 VanDerWaalsContact CD1-OH 3.3Å; L842-Y846 WeakPolarHBondContact CD1-OH 3.44Å; L842-Y846 HydrophobicContact CD2-CE2 3.64Å; L842-Y846 VanDerWaalsContact CD2-OH 3.27Å; L842-Y846 WeakPolarHBondContact CD2-OH 3.49Å; L842-Y846 HydrophobicContact CG-CD2 4.41Å; L842-Y846 HydrophobicContact CG-CE1 4.48Å; L842-Y846 HydrophobicContact CG-CE2 3.45Å; L842-Y846 VanDerWaalsContact CG-CE2 3.45Å; L842-Y846 VanDerWaalsContact CG-CZ 3.46Å; L842-Y846 WeakPolarHBondContact CG-OH 3.31Å; L842-Y846 WeakPolarHBondContact O-CD2 3.5Å; L842-Y846 PolarHBondContact O-N 2.53Å; L842-Y846 VanDerWaalsContact O-N 3.08Å; F843-Y846 PolarHBondContact O-N 3.16Å; F844-Y846 VanDerWaalsContact C-N 3.33Å; F844-Y846 PolarHBondContact O-N 2.79Å; Y846-A848 VanDerWaalsContact C-N 3.27Å; Y846-A848 PolarHBondContact O-N 3.46Å; Y846-I849 PolarHBondContact O-N 3.07Å; Y846-G850 PolarHBondContact O-N 3.41Å
847V88.3Confident88.6Confident49 Ų4936.4 Ų36.430%0.29721%0.207SC..Hα-helixtrans-61.4-40.8172.21730000110.2F843 F844 V851F843-V847 HydrophobicContact CD1-CG2 4.19Å; F843-V847 HydrophobicContact CE1-CG2 3.77Å; F843-V847 HydrophobicContact CE2-CG2 4.21Å; F843-V847 HydrophobicContact CZ-CG2 3.78Å; F843-V847 WeakPolarHBondContact O-CG2 3.19Å; F843-V847 PolarHBondContact O-N 3Å; F844-V847 PolarHBondContact O-N 2.91Å; V847-V851 HydrophobicContact CG1-CG2 4.18Å; V847-V851 VanDerWaalsContact O-CB 3.27Å; V847-V851 WeakPolarHBondContact O-CB 3.15Å; V847-V851 WeakPolarHBondContact O-CG2 3.44Å; V847-V851 PolarHBondContact O-N 3.27Å
848A93Very high89.6Confident34 Ų3436.2 Ų36.228%0.28121%0.206SC..Hα-helixtrans-64.2-44177.400000112.7F844 R845 Y846 Y852 L993F844-A848 WeakPolarHBondContact O-CB 3.46Å; F844-A848 PolarHBondContact O-N 2.62Å; R845-A848 PolarHBondContact O-N 2.54Å; Y846-A848 VanDerWaalsContact C-N 3.27Å; Y846-A848 PolarHBondContact O-N 3.46Å; A848-Y852 PolarHBondContact O-N 2.81Å; A848-Y852 VanDerWaalsContact O-N 3.09Å; A848-L993 HydrophobicContact CB-CD1 4.38Å
849I92.7Very high90.4Very high2 Ų236.1 Ų36.11%0.0121%0.214CC..Hα-helixtrans-68.2-47.7177.4-63.8168.3000110.6R845 Y846 V851 Y852 V853 V986 D990 L993R845-I849 HydrophobicContact CG-CD1 4.12Å; R845-I849 WeakPolarHBondContact O-CG1 3.48Å; R845-I849 PolarHBondContact O-N 3.01Å; Y846-I849 PolarHBondContact O-N 3.07Å; I849-V851 PolarHBondContact O-N 3.48Å; I849-Y852 CarbonylContact O-C 3.46Å; I849-Y852 WeakPolarHBondContact O-CA 3.2Å; I849-Y852 VanDerWaalsContact O-CB 3.28Å; I849-Y852 WeakPolarHBondContact O-CB 3.45Å; I849-Y852 PolarHBondContact O-N 3.19Å; I849-V853 HydrophobicContact CG2-CG2 4.26Å; I849-V853 WeakPolarHBondContact O-CG2 3.37Å; I849-V853 PolarHBondContact O-N 3.4Å; I849-V986 HydrophobicContact CG2-CG2 4.02Å; I849-D990 HydrophobicContact CD1-CB 4.27Å; I849-D990 WeakPolarHBondContact CD1-OD1 3.47Å; I849-L993 HydrophobicContact CG1-CD1 4.42Å
850G92Very high91.4Very high0 Ų033.6 Ų33.60%020%0.197CC..Hα-helixtrans-59.8-43.6177.500000112.2G779 Y846 Y852 V853 G854G779-G850 WeakPolarHBondContact CA-O 3.38Å; Y846-G850 PolarHBondContact O-N 3.41Å; G850-Y852 VanDerWaalsContact C-N 3.28Å; G850-Y852 PolarHBondContact O-N 3.19Å; G850-V853 WeakPolarHBondContact O-CB 3.27Å; G850-V853 PolarHBondContact O-N 3.04Å; G850-V853 VanDerWaalsContact O-N 3.13Å; G850-G854 PolarHBondContact O-N 3.32Å
851V93.2Very high91.9Very high63 Ų6330.9 Ų30.938%0.38217%0.168SC..Hα-helixtrans-60.9-38.9173.9169.40000111.5V782 V847 I849 C855V782-V851 HydrophobicContact CG2-CG2 4.14Å; V847-V851 HydrophobicContact CG1-CG2 4.18Å; V847-V851 VanDerWaalsContact O-CB 3.27Å; V847-V851 WeakPolarHBondContact O-CB 3.15Å; V847-V851 WeakPolarHBondContact O-CG2 3.44Å; V847-V851 PolarHBondContact O-N 3.27Å; I849-V851 PolarHBondContact O-N 3.48Å; V851-C855 WeakPolarHBondContact O-CB 3.38Å; V851-C855 PolarHBondContact O-N 3.39Å; V851-C855 PolarHBondContact O-SG 3.14Å
852Y96.3Very high92.3Very high53 Ų5328.8 Ų28.821%0.20817%0.166CC..Hα-helixtrans-61.6-47.2173.1177.8-95.7000111.6A848 I849 G850 C855 A856 I916 I982 P985 V986 I989A848-Y852 PolarHBondContact O-N 2.81Å; A848-Y852 VanDerWaalsContact O-N 3.09Å; I849-Y852 CarbonylContact O-C 3.46Å; I849-Y852 WeakPolarHBondContact O-CA 3.2Å; I849-Y852 VanDerWaalsContact O-CB 3.28Å; I849-Y852 WeakPolarHBondContact O-CB 3.45Å; I849-Y852 PolarHBondContact O-N 3.19Å; G850-Y852 VanDerWaalsContact C-N 3.28Å; G850-Y852 PolarHBondContact O-N 3.19Å; Y852-C855 PolarHBondContact O-N 3.46Å; Y852-A856 HydrophobicContact CE1-CB 4.36Å; Y852-A856 WeakPolarHBondContact O-CB 3.35Å; Y852-A856 PolarHBondContact O-N 3.05Å; Y852-I916 HydrophobicContact CD1-CD1 4.41Å; Y852-I916 HydrophobicContact CE1-CD1 4.03Å; Y852-I982 PolarHBondContact OH-O 2.96Å; Y852-P985 WeakPolarHBondContact OH-CB 3.36Å; Y852-P985 WeakPolarHBondContact OH-CG 3.46Å; Y852-V986 HydrophobicContact CD1-CB 4.22Å; Y852-V986 HydrophobicContact CD1-CG2 4.22Å; Y852-V986 HydrophobicContact CE1-CB 3.99Å; Y852-V986 HydrophobicContact CE1-CG2 4.49Å; Y852-I989 HydrophobicContact CD1-CD1 4.25Å; Y852-I989 HydrophobicContact CD2-CD1 3.48Å; Y852-I989 VanDerWaalsContact CD2-CD1 3.48Å; Y852-I989 HydrophobicContact CE1-CD1 4.36Å; Y852-I989 HydrophobicContact CE2-CD1 3.58Å; Y852-I989 HydrophobicContact CG-CD1 3.83Å
853V95.1Very high92.9Very high0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-57.4-52178.2-178.50000110.4I849 G850 C855 A856 T857 L913 I916I849-V853 HydrophobicContact CG2-CG2 4.26Å; I849-V853 WeakPolarHBondContact O-CG2 3.37Å; I849-V853 PolarHBondContact O-N 3.4Å; G850-V853 WeakPolarHBondContact O-CB 3.27Å; G850-V853 PolarHBondContact O-N 3.04Å; G850-V853 VanDerWaalsContact O-N 3.13Å; V853-C855 PolarHBondContact O-N 3.35Å; V853-A856 WeakPolarHBondContact O-CB 3.11Å; V853-A856 PolarHBondContact O-N 3.25Å; V853-T857 HydrophobicContact CG1-CG2 4.39Å; V853-T857 WeakPolarHBondContact O-CG2 3.36Å; V853-T857 PolarHBondContact O-N 3.31Å; V853-T857 PolarHBondContact O-OG1 2.86Å; V853-L913 HydrophobicContact CG1-CD1 3.54Å; V853-I916 HydrophobicContact CB-CG2 4.44Å; V853-I916 HydrophobicContact CG1-CG2 4.36Å; V853-I916 HydrophobicContact CG2-CG2 3.54Å
854G93.7Very high93.4Very high0 Ų025.8 Ų25.80%015%0.151CC..Hα-helixtrans-64.5-36.7-178.800000113.7G779 G850 T857 V858G779-G854 WeakPolarHBondContact O-CA 3.38Å; G850-G854 PolarHBondContact O-N 3.32Å; G854-T857 PolarHBondContact O-OG1 3.49Å; G854-V858 VanDerWaalsContact O-CG2 3.31Å; G854-V858 WeakPolarHBondContact O-CG2 3.39Å; G854-V858 PolarHBondContact O-N 3.3Å
855C95.9Very high93.5Very high65 Ų6520.6 Ų20.644%0.43913%0.128SC..Hα-helixtrans-67.9-36.7171.7-74.80000112.1V851 Y852 V853 G859V851-C855 WeakPolarHBondContact O-CB 3.38Å; V851-C855 PolarHBondContact O-N 3.39Å; V851-C855 PolarHBondContact O-SG 3.14Å; Y852-C855 PolarHBondContact O-N 3.46Å; V853-C855 PolarHBondContact O-N 3.35Å; C855-G859 WeakPolarHBondContact O-CA 3.46Å; C855-G859 PolarHBondContact O-N 3.01Å
856A96.6Very high93.6Very high8 Ų822 Ų227%0.06614%0.139CC..Hα-helixtrans-70.2-42.5-178.400000112.1Y852 V853 A860 V912 I916 I982Y852-A856 HydrophobicContact CE1-CB 4.36Å; Y852-A856 WeakPolarHBondContact O-CB 3.35Å; Y852-A856 PolarHBondContact O-N 3.05Å; V853-A856 WeakPolarHBondContact O-CB 3.11Å; V853-A856 PolarHBondContact O-N 3.25Å; A856-A860 VanDerWaalsContact O-CB 3.28Å; A856-A860 WeakPolarHBondContact O-CB 3.47Å; A856-A860 PolarHBondContact O-N 3.05Å; A856-V912 HydrophobicContact CB-CG1 3.94Å; A856-I916 HydrophobicContact CB-CD1 3.62Å; A856-I982 HydrophobicContact CB-CG2 3.6Å
857T96Very high93.9Very high1 Ų127.5 Ų27.51%0.00617%0.168CC..Hα-helixtrans-64.9-51.7177.4520000111.3S783 L796 V853 G854 G859 A860 A861 V912 L913S783-T857 VanDerWaalsContact CB-OG1 3.24Å; S783-T857 WeakPolarHBondContact CB-OG1 3.44Å; S783-T857 PolarHBondContact OG-OG1 3.44Å; L796-T857 HydrophobicContact CD1-CG2 4.47Å; V853-T857 HydrophobicContact CG1-CG2 4.39Å; V853-T857 WeakPolarHBondContact O-CG2 3.36Å; V853-T857 PolarHBondContact O-N 3.31Å; V853-T857 PolarHBondContact O-OG1 2.86Å; G854-T857 PolarHBondContact O-OG1 3.49Å; T857-G859 VanDerWaalsContact C-N 3.33Å; T857-G859 PolarHBondContact O-N 3.06Å; T857-A860 PolarHBondContact O-N 2.76Å; T857-A861 PolarHBondContact O-N 2.88Å; T857-A861 VanDerWaalsContact O-N 3.1Å; T857-V912 HydrophobicContact CG2-CG1 4.38Å; T857-L913 HydrophobicContact CG2-CB 3.82Å; T857-L913 HydrophobicContact CG2-CD1 4.4Å
858V95.1Very high94.1Very high12 Ų1225.8 Ų25.87%0.07316%0.156CC..Hα-helixtrans-63.8-41.1177.4178.60000110.7S783 L786 T787 L792 A795 G854 A860 A861 A862S783-V858 VanDerWaalsContact O-CG2 3.31Å; S783-V858 WeakPolarHBondContact O-CG2 3.49Å; L786-V858 HydrophobicContact CB-CG2 4.13Å; T787-V858 VanDerWaalsContact OG1-CG2 3.3Å; T787-V858 WeakPolarHBondContact OG1-CG2 3.44Å; L792-V858 HydrophobicContact CD1-CG1 3.52Å; A795-V858 HydrophobicContact CB-CG2 4.41Å; G854-V858 VanDerWaalsContact O-CG2 3.31Å; G854-V858 WeakPolarHBondContact O-CG2 3.39Å; G854-V858 PolarHBondContact O-N 3.3Å; V858-A860 VanDerWaalsContact C-N 3.3Å; V858-A860 PolarHBondContact O-N 2.89Å; V858-A861 PolarHBondContact O-N 2.68Å; V858-A862 VanDerWaalsContact O-CB 3.29Å; V858-A862 WeakPolarHBondContact O-CB 2.94Å; V858-A862 PolarHBondContact O-N 2.92Å
859G95.2Very high93.8Very high34 Ų3428.8 Ų28.835%0.35117%0.173SC..Hα-helixtrans-61.4-36.4175.600000113C855 T857 W863C855-G859 WeakPolarHBondContact O-CA 3.46Å; C855-G859 PolarHBondContact O-N 3.01Å; T857-G859 VanDerWaalsContact C-N 3.33Å; T857-G859 PolarHBondContact O-N 3.06Å; G859-W863 WeakPolarHBondContact O-CB 3.37Å; G859-W863 PolarHBondContact O-N 2.86Å
860A95.9Very high93.6Very high0 Ų035.2 Ų35.20%020%0.201CC..Hα-helixtrans-71-41.5177.200000112.6A856 T857 V858 W863 W864 M908 V912 I982A856-A860 VanDerWaalsContact O-CB 3.28Å; A856-A860 WeakPolarHBondContact O-CB 3.47Å; A856-A860 PolarHBondContact O-N 3.05Å; T857-A860 PolarHBondContact O-N 2.76Å; V858-A860 VanDerWaalsContact C-N 3.3Å; V858-A860 PolarHBondContact O-N 2.89Å; A860-W863 PolarHBondContact O-N 3.29Å; A860-W864 PolarHBondContact O-N 3.25Å; A860-M908 HydrophobicContact CB-CB 4.41Å; A860-V912 HydrophobicContact CB-CB 4.27Å; A860-V912 HydrophobicContact CB-CG2 3.66Å; A860-I982 HydrophobicContact CB-CD1 3.93Å
861A94.3Very high93.3Very high6 Ų636 Ų365%0.0521%0.209CC..Hα-helixtrans-63.3-48.8172.600000111.2A795 T857 V858 W863 W864 F865 P905 A909A795-A861 HydrophobicContact CB-CB 4.17Å; T857-A861 PolarHBondContact O-N 2.88Å; T857-A861 VanDerWaalsContact O-N 3.1Å; V858-A861 PolarHBondContact O-N 2.68Å; A861-W863 VanDerWaalsContact C-N 3.31Å; A861-W863 PolarHBondContact O-N 3.04Å; A861-W864 WeakPolarHBondContact O-CB 3.37Å; A861-W864 PolarHBondContact O-N 3.31Å; A861-W864 VanDerWaalsContact O-N 3.15Å; A861-F865 WeakPolarHBondContact O-CD2 3.21Å; A861-F865 PolarHBondContact O-N 2.81Å; A861-P905 HydrophobicContact CB-CB 4.19Å; A861-A909 HydrophobicContact CB-CB 4.29Å
862A93.6Very high93Very high27 Ų2735.1 Ų35.122%0.22321%0.205CC..Hα-helixtrans-62.8-35.9177.800000112.5V858 W864 F865 S866 L879V858-A862 VanDerWaalsContact O-CB 3.29Å; V858-A862 WeakPolarHBondContact O-CB 2.94Å; V858-A862 PolarHBondContact O-N 2.92Å; A862-W864 VanDerWaalsContact C-N 3.3Å; A862-W864 PolarHBondContact O-N 3.27Å; A862-F865 PolarHBondContact O-N 2.98Å; A862-S866 PolarHBondContact O-N 3.39Å; A862-L879 HydrophobicContact CB-CD2 4.15Å
863W95.1Very high92.7Very high40 Ų4038.4 Ų38.415%0.15222%0.222CC..Hα-helixtrans-59.4-41.5174.4171.285.4000111.8G859 A860 A861 F865 S866 L867 Y868 M908 M978G859-W863 WeakPolarHBondContact O-CB 3.37Å; G859-W863 PolarHBondContact O-N 2.86Å; A860-W863 PolarHBondContact O-N 3.29Å; A861-W863 VanDerWaalsContact C-N 3.31Å; A861-W863 PolarHBondContact O-N 3.04Å; W863-F865 VanDerWaalsContact C-N 3.33Å; W863-F865 PolarHBondContact O-N 3.35Å; W863-S866 PolarHBondContact O-N 2.98Å; W863-L867 HydrophobicContact CG-CB 4.4Å; W863-L867 PolarHBondContact O-N 3.04Å; W863-Y868 AromaticContact CH2-CD2 3.25Å; W863-Y868 HydrophobicContact CH2-CD2 3.25Å; W863-Y868 AromaticContact CH2-CE2 3.84Å; W863-Y868 HydrophobicContact CH2-CE2 3.84Å; W863-Y868 AromaticContact CH2-CG 3.78Å; W863-Y868 HydrophobicContact CH2-CG 3.78Å; W863-Y868 AromaticContact CZ2-CD2 3.62Å; W863-Y868 HydrophobicContact CZ2-CD2 3.62Å; W863-Y868 HydrophobicContact CZ2-CE2 4.45Å; W863-Y868 HydrophobicContact CZ2-CG 4.23Å; W863-Y868 AromaticContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CG 4.05Å; W863-Y868 PolarHBondContact O-N 2.98Å; W863-M908 HydrophobicContact CE3-CE 3.83Å; W863-M908 HydrophobicContact CZ3-CE 3.65Å; W863-M908 HydrophobicContact CZ3-SD 4.44Å; W863-M978 HydrophobicContact CD2-CE 4.3Å; W863-M978 HydrophobicContact CD2-CG 3.87Å; W863-M978 HydrophobicContact CE3-CG 4.03Å; W863-M978 HydrophobicContact CG-CE 4.04Å; W863-M978 HydrophobicContact CH2-CB 3.87Å; W863-M978 HydrophobicContact CH2-CG 3.97Å; W863-M978 HydrophobicContact CZ2-CB 4.08Å; W863-M978 HydrophobicContact CZ2-CG 3.82Å; W863-M978 HydrophobicContact CZ2-SD 4.23Å; W863-M978 HydrophobicContact CZ3-CB 4.16Å; W863-M978 HydrophobicContact CZ3-CG 4.09Å
864W94.7Very high92.3Very high15 Ų1538.7 Ų38.76%0.05722%0.223CC..Hα-helixtrans-63.1-40.8177.7-172.690.4000111.8A860 A861 A862 Y868 P872 I899 N902 K904 P905 M908A860-W864 PolarHBondContact O-N 3.25Å; A861-W864 WeakPolarHBondContact O-CB 3.37Å; A861-W864 PolarHBondContact O-N 3.31Å; A861-W864 VanDerWaalsContact O-N 3.15Å; A862-W864 VanDerWaalsContact C-N 3.3Å; A862-W864 PolarHBondContact O-N 3.27Å; W864-Y868 AromaticContact CD1-CD1 3.78Å; W864-Y868 AromaticContact NE1-CD1 3.82Å; W864-P872 HydrophobicContact CZ3-CG 4.22Å; W864-I899 HydrophobicContact CH2-CD1 3.85Å; W864-I899 HydrophobicContact CH2-CG1 4.36Å; W864-I899 HydrophobicContact CZ3-CD1 4.33Å; W864-I899 HydrophobicContact CZ3-CG1 4.34Å; W864-N902 HydrophobicContact CH2-CB 4.1Å; W864-N902 HydrophobicContact CZ3-CB 4.42Å; W864-K904 HydrophobicContact CD2-CB 4.17Å; W864-K904 HydrophobicContact CH2-CB 4.22Å; W864-K904 HydrophobicContact CZ2-CB 3.54Å; W864-K904 HydrophobicContact CZ2-CG 3.97Å; W864-P905 HydrophobicContact CB-CB 4.48Å; W864-P905 HydrophobicContact CD2-CB 4.47Å; W864-P905 HydrophobicContact CD2-CG 4.49Å; W864-P905 HydrophobicContact CE3-CB 4.09Å; W864-P905 HydrophobicContact CE3-CG 3.88Å; W864-P905 HydrophobicContact CZ3-CG 4.1Å; W864-M908 HydrophobicContact CB-CG 4.42Å
865F92.3Very high92.1Very high5 Ų542.8 Ų42.82%0.02225%0.245CC..Hα-helixtrans-69.6-43.7177.5-77-68.1000113.4P793 A861 A862 W863 P872 Q873 L874 L879 F900 P905P793-F865 HydrophobicContact CB-CE2 4.22Å; P793-F865 HydrophobicContact CB-CZ 4.27Å; P793-F865 HydrophobicContact CG-CE2 4.03Å; P793-F865 HydrophobicContact CG-CZ 4.07Å; A861-F865 WeakPolarHBondContact O-CD2 3.21Å; A861-F865 PolarHBondContact O-N 2.81Å; A862-F865 PolarHBondContact O-N 2.98Å; W863-F865 VanDerWaalsContact C-N 3.33Å; W863-F865 PolarHBondContact O-N 3.35Å; F865-P872 HydrophobicContact CD1-CG 4.03Å; F865-Q873 CarbonylContact O-C 3.59Å; F865-Q873 WeakPolarHBondContact O-CA 3.22Å; F865-Q873 PolarHBondContact O-N 2.85Å; F865-L874 HydrophobicContact CB-CD1 4.44Å; F865-L874 HydrophobicContact CD1-CD1 3.85Å; F865-L874 PolarHBondContact O-N 3.12Å; F865-L879 HydrophobicContact CB-CD1 3.67Å; F865-L879 HydrophobicContact CB-CD2 4.27Å; F865-L879 HydrophobicContact CD1-CD1 4.06Å; F865-L879 HydrophobicContact CD2-CD1 3.58Å; F865-L879 HydrophobicContact CE2-CD1 4.17Å; F865-L879 HydrophobicContact CG-CD1 3.51Å; F865-F900 HydrophobicContact CE1-CD1 4.02Å; F865-F900 HydrophobicContact CZ-CD1 4.38Å; F865-P905 HydrophobicContact CD2-CB 4.1Å; F865-P905 HydrophobicContact CD2-CG 4.48Å; F865-P905 HydrophobicContact CE1-CG 4.32Å; F865-P905 HydrophobicContact CE2-CB 3.53Å; F865-P905 HydrophobicContact CE2-CG 3.63Å; F865-P905 HydrophobicContact CZ-CB 4.01Å; F865-P905 HydrophobicContact CZ-CG 3.54Å
866S91.1Very high91.7Very high35 Ų3546.8 Ų46.825%0.24525%0.252CS..Hα-helixtrans-102.5-38.7-166.6-67.20000115.1A862 W863 L874A862-S866 PolarHBondContact O-N 3.39Å; W863-S866 PolarHBondContact O-N 2.98Å; S866-L874 WeakPolarHBondContact CA-O 3.35Å; S866-L874 VanDerWaalsContact CB-O 3.3Å; S866-L874 WeakPolarHBondContact CB-O 3.15Å; S866-L874 PolarHBondContact OG-O 2.96Å
867L91.9Very high91.3Very high128 Ų12851.1 Ų51.167%0.6727%0.268SS*.THydrogen-bonded Turntrans-115.1-18.1-166.2-66.8174.6000113.8W863 P869W863-L867 HydrophobicContact CG-CB 4.4Å; W863-L867 PolarHBondContact O-N 3.04Å; L867-P869 WeakPolarHBondContact O-CD 3.39Å
868Y92.4Very high90.8Very high13 Ų1352.5 Ų52.55%0.05127%0.274CS..  trans-69.7123.1-179.2-175.8-135.9000110.5W863 W864 K870 G871 E975W863-Y868 AromaticContact CH2-CD2 3.25Å; W863-Y868 HydrophobicContact CH2-CD2 3.25Å; W863-Y868 AromaticContact CH2-CE2 3.84Å; W863-Y868 HydrophobicContact CH2-CE2 3.84Å; W863-Y868 AromaticContact CH2-CG 3.78Å; W863-Y868 HydrophobicContact CH2-CG 3.78Å; W863-Y868 AromaticContact CZ2-CD2 3.62Å; W863-Y868 HydrophobicContact CZ2-CD2 3.62Å; W863-Y868 HydrophobicContact CZ2-CE2 4.45Å; W863-Y868 HydrophobicContact CZ2-CG 4.23Å; W863-Y868 AromaticContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CD2 3.98Å; W863-Y868 HydrophobicContact CZ3-CG 4.05Å; W863-Y868 PolarHBondContact O-N 2.98Å; W864-Y868 AromaticContact CD1-CD1 3.78Å; W864-Y868 AromaticContact NE1-CD1 3.82Å; Y868-K870 HydrophobicContact CD1-CB 4.18Å; Y868-K870 HydrophobicContact CE1-CB 3.69Å; Y868-K870 PolarHBondContact O-N 2.82Å; Y868-K870 VanDerWaalsContact O-N 3.15Å; Y868-G871 WeakPolarHBondContact O-CA 3.45Å; Y868-G871 PolarHBondContact O-N 2.82Å; Y868-E975 HydrophobicContact CE1-CG 4.23Å; Y868-E975 HydrophobicContact CE2-CG 4.46Å
869P87.7Confident90.5Very high97 Ų9752.1 Ų52.163%0.6327%0.272SS*.THydrogen-bonded Turntrans-60.4-30.7-173.8-27.135.5000114.3L867 Q873L867-P869 WeakPolarHBondContact O-CD 3.39Å; P869-Q873 PolarHBondContact O-NE2 2.79Å; P869-Q873 VanDerWaalsContact O-NE2 3.13Å
870K87.1Confident90Very high138 Ų13851.5 Ų51.560%0.626%0.261SS*.THydrogen-bonded Turntrans-92.3-0.7177.1-60.6174.2-175.9149.10112.9Y868 E974Y868-K870 HydrophobicContact CD1-CB 4.18Å; Y868-K870 HydrophobicContact CE1-CB 3.69Å; Y868-K870 PolarHBondContact O-N 2.82Å; Y868-K870 VanDerWaalsContact O-N 3.15Å; K870-E974 IonicContact NZ-OE1 2.74Å; K870-E974 PolarHBondContact NZ-OE1 3.47Å; K870-E974 IonicContact NZ-OE2 3.48Å; K870-E974 PolarHBondContact NZ-OE2 3.48Å
871G85.8Confident89.5Confident17 Ų1754.1 Ų54.118%0.17527%0.273CS..SBendtrans-87.8-176.1173.800000112.2Y868 Q873Y868-G871 WeakPolarHBondContact O-CA 3.45Å; Y868-G871 PolarHBondContact O-N 2.82Å; G871-Q873 VanDerWaalsContact C-N 3.29Å; G871-Q873 PolarHBondContact O-N 3.14Å
872P87.4Confident89Confident44 Ų4455.2 Ų55.229%0.28628%0.277SS..  trans-74.2-12.2-175.227.8-33.1000114.9W864 F865 L874 I899W864-P872 HydrophobicContact CZ3-CG 4.22Å; F865-P872 HydrophobicContact CD1-CG 4.03Å; P872-L874 HydrophobicContact CB-CD1 4.5Å; P872-L874 HydrophobicContact CB-CD2 4.19Å; P872-L874 HydrophobicContact CB-CG 3.97Å; P872-L874 HydrophobicContact CG-CD1 4.2Å; P872-L874 HydrophobicContact CG-CG 3.98Å; P872-L874 PolarHBondContact O-N 2.95Å; P872-I899 HydrophobicContact CB-CG1 4.12Å; P872-I899 HydrophobicContact CG-CG1 3.94Å
873Q88.9Confident88.2Confident122 Ų12256.8 Ų56.857%0.5728%0.28SS*.  trans54.246179.7-57.5-17422.600113.9F865 P869 G871F865-Q873 CarbonylContact O-C 3.59Å; F865-Q873 WeakPolarHBondContact O-CA 3.22Å; F865-Q873 PolarHBondContact O-N 2.85Å; P869-Q873 PolarHBondContact O-NE2 2.79Å; P869-Q873 VanDerWaalsContact O-NE2 3.13Å; G871-Q873 VanDerWaalsContact C-N 3.29Å; G871-Q873 PolarHBondContact O-N 3.14Å
874L88.1Confident87.4Confident5 Ų555.9 Ų55.93%0.02628%0.278CS..  trans-71.4142.3-179.5-59.4178.5000111.9F865 S866 P872 Q878 L879 I895 F900F865-L874 HydrophobicContact CB-CD1 4.44Å; F865-L874 HydrophobicContact CD1-CD1 3.85Å; F865-L874 PolarHBondContact O-N 3.12Å; S866-L874 WeakPolarHBondContact CA-O 3.35Å; S866-L874 VanDerWaalsContact CB-O 3.3Å; S866-L874 WeakPolarHBondContact CB-O 3.15Å; S866-L874 PolarHBondContact OG-O 2.96Å; P872-L874 HydrophobicContact CB-CD1 4.5Å; P872-L874 HydrophobicContact CB-CD2 4.19Å; P872-L874 HydrophobicContact CB-CG 3.97Å; P872-L874 HydrophobicContact CG-CD1 4.2Å; P872-L874 HydrophobicContact CG-CG 3.98Å; P872-L874 PolarHBondContact O-N 2.95Å; L874-Q878 HydrophobicContact CB-CB 4.38Å; L874-Q878 HydrophobicContact CD2-CB 4.5Å; L874-L879 HydrophobicContact CD1-CD1 4.44Å; L874-I895 HydrophobicContact CD2-CD1 3.31Å; L874-I895 HydrophobicContact CD2-CG1 3.76Å; L874-I895 HydrophobicContact CD2-CG2 4.08Å; L874-F900 HydrophobicContact CD1-CD1 4.37Å; L874-F900 HydrophobicContact CD1-CE1 3.4Å; L874-F900 VanDerWaalsContact CD1-CE1 3.4Å; L874-F900 HydrophobicContact CD1-CZ 3.65Å
875N89.3Confident86.7Confident86 Ų8655.4 Ų55.446%0.4628%0.277SS..  trans-77.6165.8170.470.432.9000111.4Y877 Q878 L879N875-Y877 VanDerWaalsContact C-N 3.28Å; N875-Y877 PolarHBondContact O-N 2.98Å; N875-Y877 PolarHBondContact OD1-N 3.46Å; N875-Q878 PolarHBondContact O-N 3.46Å; N875-Q878 WeakPolarHBondContact OD1-CB 3.45Å; N875-Q878 VanDerWaalsContact OD1-CG 3.25Å; N875-Q878 WeakPolarHBondContact OD1-CG 3.42Å; N875-Q878 PolarHBondContact OD1-N 3.46Å; N875-L879 PolarHBondContact O-N 3.3Å; N875-L879 VanDerWaalsContact O-N 3.08Å
876Y88.1Confident85.9Confident149 Ų14961.9 Ų61.958%0.58431%0.311SS*.Hα-helixtrans-59.5-36.2-176.6-179.8-105000113.4L879 T880Y876-L879 PolarHBondContact O-N 2.91Å; Y876-T880 HydrophobicContact CD1-CG2 4.38Å; Y876-T880 HydrophobicContact CD2-CG2 4.07Å; Y876-T880 HydrophobicContact CE1-CG2 3.96Å; Y876-T880 HydrophobicContact CE2-CG2 3.61Å; Y876-T880 HydrophobicContact CG-CG2 4.43Å; Y876-T880 WeakPolarHBondContact O-CG2 3.5Å; Y876-T880 PolarHBondContact O-N 3.31Å; Y876-T880 PolarHBondContact O-OG1 2.88Å
877Y86.7Confident85Confident100 Ų10063 Ų6339%0.39232%0.323SS..Hα-helixtrans-65.5-49.2178.6-178.4-93.1000111.3N875 L879 T880 H881 N891N875-Y877 VanDerWaalsContact C-N 3.28Å; N875-Y877 PolarHBondContact O-N 2.98Å; N875-Y877 PolarHBondContact OD1-N 3.46Å; Y877-L879 VanDerWaalsContact C-N 3.26Å; Y877-L879 PolarHBondContact O-N 2.79Å; Y877-T880 PolarHBondContact O-N 3.24Å; Y877-T880 PolarHBondContact O-OG1 3.18Å; Y877-H881 AromaticContact CD2-CE1 3.99Å; Y877-H881 AromaticContact CD2-ND1 3.9Å; Y877-H881 AromaticContact CE2-CE1 3.78Å; Y877-H881 AromaticContact CE2-ND1 3.88Å; Y877-H881 AromaticContact CE2-NE2 3.91Å; Y877-H881 WeakPolarHBondContact O-CB 3.28Å; Y877-H881 PolarHBondContact O-N 3.05Å; Y877-H881 PolarHBondContact O-ND1 2.73Å; Y877-N891 HydrophobicContact CE1-CB 4.28Å
878Q86.8Confident84.3Confident29 Ų2960.3 Ų60.314%0.13631%0.306CS..Hα-helixtrans-59-38.9177.4-73.2169.5-25.400111.8L874 N875 H882 N891 F892 I895L874-Q878 HydrophobicContact CB-CB 4.38Å; L874-Q878 HydrophobicContact CD2-CB 4.5Å; N875-Q878 PolarHBondContact O-N 3.46Å; N875-Q878 WeakPolarHBondContact OD1-CB 3.45Å; N875-Q878 VanDerWaalsContact OD1-CG 3.25Å; N875-Q878 WeakPolarHBondContact OD1-CG 3.42Å; N875-Q878 PolarHBondContact OD1-N 3.46Å; Q878-H882 PolarHBondContact O-N 3.36Å; Q878-N891 PolarHBondContact NE2-O 2.69Å; Q878-F892 HydrophobicContact CB-CD1 4.31Å; Q878-F892 HydrophobicContact CB-CE1 3.79Å; Q878-F892 HydrophobicContact CB-CZ 4.4Å; Q878-F892 HydrophobicContact CG-CD1 4.21Å; Q878-F892 HydrophobicContact CG-CE1 4.04Å; Q878-F892 VanDerWaalsContact O-CE1 3.26Å; Q878-F892 WeakPolarHBondContact O-CE1 3.28Å; Q878-I895 HydrophobicContact CG-CD1 4.42Å
879L87.2Confident83.3Confident5 Ų567.1 Ų67.13%0.02634%0.337CS..Hα-helixtrans-70.8-42.7-179.4-17063.1000112.8L792 P793 A862 F865 L874 N875 Y876 Y877 F900L792-L879 HydrophobicContact CD2-CB 4.37Å; L792-L879 HydrophobicContact CD2-CD2 3.58Å; L792-L879 HydrophobicContact CD2-CG 3.57Å; P793-L879 HydrophobicContact CG-CD1 3.97Å; A862-L879 HydrophobicContact CB-CD2 4.15Å; F865-L879 HydrophobicContact CB-CD1 3.67Å; F865-L879 HydrophobicContact CB-CD2 4.27Å; F865-L879 HydrophobicContact CD1-CD1 4.06Å; F865-L879 HydrophobicContact CD2-CD1 3.58Å; F865-L879 HydrophobicContact CE2-CD1 4.17Å; F865-L879 HydrophobicContact CG-CD1 3.51Å; L874-L879 HydrophobicContact CD1-CD1 4.44Å; N875-L879 PolarHBondContact O-N 3.3Å; N875-L879 VanDerWaalsContact O-N 3.08Å; Y876-L879 PolarHBondContact O-N 2.91Å; Y877-L879 VanDerWaalsContact C-N 3.26Å; Y877-L879 PolarHBondContact O-N 2.79Å; L879-F900 HydrophobicContact CD1-CE1 4.29Å
880T86.1Confident82.8Confident20 Ų2069.7 Ų69.712%0.12335%0.345CS..Hα-helixtrans-76.5-22.4-179.1520000113.6L790 G791 L792 Y876 Y877L790-T880 WeakPolarHBondContact O-CB 3.32Å; L790-T880 WeakPolarHBondContact O-CG2 3.43Å; G791-T880 CarbonylContact O-C 3.04Å; G791-T880 WeakPolarHBondContact O-CA 3.47Å; L792-T880 HydrophobicContact CD2-CG2 3.95Å; Y876-T880 HydrophobicContact CD1-CG2 4.38Å; Y876-T880 HydrophobicContact CD2-CG2 4.07Å; Y876-T880 HydrophobicContact CE1-CG2 3.96Å; Y876-T880 HydrophobicContact CE2-CG2 3.61Å; Y876-T880 HydrophobicContact CG-CG2 4.43Å; Y876-T880 WeakPolarHBondContact O-CG2 3.5Å; Y876-T880 PolarHBondContact O-N 3.31Å; Y876-T880 PolarHBondContact O-OG1 2.88Å; Y877-T880 PolarHBondContact O-N 3.24Å; Y877-T880 PolarHBondContact O-OG1 3.18Å
881H85.2Confident82.4Confident55 Ų5566.6 Ų66.626%0.25534%0.335SS..THydrogen-bonded Turntrans-107.325.5178.5-64.865.1000111.9Y877 M883 Q884 F892Y877-H881 AromaticContact CD2-CE1 3.99Å; Y877-H881 AromaticContact CD2-ND1 3.9Å; Y877-H881 AromaticContact CE2-CE1 3.78Å; Y877-H881 AromaticContact CE2-ND1 3.88Å; Y877-H881 AromaticContact CE2-NE2 3.91Å; Y877-H881 WeakPolarHBondContact O-CB 3.28Å; Y877-H881 PolarHBondContact O-N 3.05Å; Y877-H881 PolarHBondContact O-ND1 2.73Å; H881-M883 PolarHBondContact O-N 3.07Å; H881-M883 VanDerWaalsContact O-N 3.12Å; H881-Q884 WeakPolarHBondContact O-CB 3.41Å; H881-Q884 PolarHBondContact O-N 2.6Å; H881-F892 HydrophobicContact CB-CZ 4.42Å; H881-F892 VanDerWaalsContact O-CZ 3.32Å; H881-F892 WeakPolarHBondContact O-CZ 3.47Å
882H83.4Confident82.2Confident29 Ų2966.1 Ų66.113%0.13433%0.328CS..G310 helixtrans-53-37.1-174.870.9-78.7000113.6G791 P793 Q878 Q884 C885 F900G791-H882 PolarHBondContact O-CE1 3.08Å; G791-H882 VanDerWaalsContact O-CE1 3.31Å; G791-H882 PolarHBondContact O-ND1 2.71Å; P793-H882 HydrophobicContact CG-CB 4.23Å; Q878-H882 PolarHBondContact O-N 3.36Å; H882-Q884 PolarHBondContact O-N 2.98Å; H882-Q884 VanDerWaalsContact O-N 3.15Å; H882-C885 WeakPolarHBondContact O-CB 3.34Å; H882-C885 PolarHBondContact O-N 2.87Å; H882-F900 HydrophobicContact CB-CD1 3.5Å; H882-F900 HydrophobicContact CB-CD2 4.09Å; H882-F900 HydrophobicContact CB-CE1 3.52Å; H882-F900 HydrophobicContact CB-CE2 4.12Å; H882-F900 HydrophobicContact CB-CG 3.79Å; H882-F900 HydrophobicContact CB-CZ 3.85Å
883M77.4Confident81.7Confident60 Ų6071.8 Ų71.830%0.29635%0.351SS..G310 helixtrans-55.8-27.9175.2-74.2-92.4-135.600113.4A283 H284 Y294 H881 C885A283-M883 HydrophobicContact CB-CB 3.62Å; A283-M883 WeakPolarHBondContact CB-O 3.43Å; H284-M883 WeakPolarHBondContact NE2-CE 3.46Å; Y294-M883 HydrophobicContact CD1-CE 3.47Å; Y294-M883 VanDerWaalsContact CD1-CE 3.47Å; Y294-M883 HydrophobicContact CD2-CE 4.23Å; Y294-M883 HydrophobicContact CE1-CE 3.25Å; Y294-M883 HydrophobicContact CE2-CE 4.08Å; Y294-M883 HydrophobicContact CG-CE 3.96Å; H881-M883 PolarHBondContact O-N 3.07Å; H881-M883 VanDerWaalsContact O-N 3.12Å; M883-C885 VanDerWaalsContact C-N 3.35Å
884Q79.1Confident81.3Confident21 Ų2169.8 Ų69.810%0.09836%0.362CS..G310 helixtrans-88.81-179.1-59.61780.600112.9H881 H882 L886 A887 E888H881-Q884 WeakPolarHBondContact O-CB 3.41Å; H881-Q884 PolarHBondContact O-N 2.6Å; H882-Q884 PolarHBondContact O-N 2.98Å; H882-Q884 VanDerWaalsContact O-N 3.15Å; Q884-L886 VanDerWaalsContact C-N 3.28Å; Q884-L886 PolarHBondContact O-N 2.92Å; Q884-A887 PolarHBondContact O-N 3.17Å; Q884-E888 HydrophobicContact CB-CG 4.37Å; Q884-E888 PolarHBondContact O-N 3.4Å
885C79.1Confident80.9Confident5 Ų571.3 Ų71.33%0.03437%0.37CS..THydrogen-bonded Turntrans-54.6-40-175.3-175.70000113.5H882 M883 F892 C897 F900H882-C885 WeakPolarHBondContact O-CB 3.34Å; H882-C885 PolarHBondContact O-N 2.87Å; M883-C885 VanDerWaalsContact C-N 3.35Å; C885-F892 HydrophobicContact CB-CD1 4.01Å; C885-F892 HydrophobicContact CB-CD2 4.28Å; C885-F892 HydrophobicContact CB-CE1 4.18Å; C885-F892 HydrophobicContact CB-CE2 4.45Å; C885-F892 HydrophobicContact CB-CG 4.06Å; C885-F892 HydrophobicContact CB-CZ 4.4Å; C885-C897 HydrophobicContact CB-CB 3.88Å; C885-C897 WeakPolarHBondContact CB-SG 3.33Å; C885-C897 WeakPolarHBondContact SG-CA 3.47Å; C885-C897 WeakPolarHBondContact SG-CB 3.47Å; C885-C897 CovalentContact SG-SG 2.04Å; C885-C897 PolarHBondContact SG-SG 3.37Å; C885-F900 HydrophobicContact CB-CD2 4.44Å; C885-F900 HydrophobicContact CB-CE2 4.04Å
886L74.5Confident80.7Confident141 Ų14172.9 Ų72.974%0.73838%0.378SS*.THydrogen-bonded Turntrans-74.2-27.2177.4-70.1171.3000113.3Q884 C897Q884-L886 VanDerWaalsContact C-N 3.28Å; Q884-L886 PolarHBondContact O-N 2.92Å; L886-C897 HydrophobicContact CD2-CB 4.36Å
887A73.7Confident80.5Confident60 Ų6067.4 Ų67.450%0.49636%0.361SS..THydrogen-bonded Turntrans-89.5-40.8-17600000112.8Q884Q884-A887 PolarHBondContact O-N 3.17Å
888E75.6Confident80.3Confident70 Ų7068.7 Ų68.733%0.32737%0.371SS..  trans-106.365.7-176.3-67.8-162.3157.700112.3Q884 D890 N891 F892Q884-E888 HydrophobicContact CB-CG 4.37Å; Q884-E888 PolarHBondContact O-N 3.4Å; E888-D890 PolarHBondContact O-N 3.09Å; E888-N891 HydrophobicContact CB-CB 4.41Å; E888-N891 PolarHBondContact O-N 3.18Å; E888-N891 VanDerWaalsContact O-N 3.11Å; E888-N891 PolarHBondContact OE2-ND2 2.88Å; E888-F892 HydrophobicContact CB-CD2 4.49Å; E888-F892 WeakPolarHBondContact O-CD2 3.45Å; E888-F892 PolarHBondContact O-N 2.69Å
889K72.4Confident80.3Confident157 Ų15769.2 Ų69.268%0.68337%0.374SS*.THydrogen-bonded Turntrans-54.9-29.1-177.1-71.1-174.9177.6-179.40114.7F892 H893K889-F892 CarbonylContact O-C 3.52Å; K889-F892 PolarHBondContact O-N 2.93Å; K889-H893 PolarHBondContact O-N 3.08Å
890D77.4Confident80.2Confident151 Ų15170 Ų7081%0.80738%0.377SS*.THydrogen-bonded Turntrans-68.4-38.9-179.3-68.8-26.1000112.4E888 F892E888-D890 PolarHBondContact O-N 3.09Å; D890-F892 VanDerWaalsContact C-N 3.32Å
891N77.5Confident80Confident73 Ų7375.8 Ų75.839%0.3940%0.403SS..THydrogen-bonded Turntrans-77.9-18.8-179.6-73.6-26.8000112.8Y877 Q878 E888Y877-N891 HydrophobicContact CE1-CB 4.28Å; Q878-N891 PolarHBondContact NE2-O 2.69Å; E888-N891 HydrophobicContact CB-CB 4.41Å; E888-N891 PolarHBondContact O-N 3.18Å; E888-N891 VanDerWaalsContact O-N 3.11Å; E888-N891 PolarHBondContact OE2-ND2 2.88Å
892F81.9Confident80.1Confident6 Ų675.4 Ų75.43%0.02640%0.403CS..THydrogen-bonded Turntrans-111.824.3-179.5-67.7-89.7000113.1Q878 H881 C885 E888 K889 D890 G894 I895 F900Q878-F892 HydrophobicContact CB-CD1 4.31Å; Q878-F892 HydrophobicContact CB-CE1 3.79Å; Q878-F892 HydrophobicContact CB-CZ 4.4Å; Q878-F892 HydrophobicContact CG-CD1 4.21Å; Q878-F892 HydrophobicContact CG-CE1 4.04Å; Q878-F892 VanDerWaalsContact O-CE1 3.26Å; Q878-F892 WeakPolarHBondContact O-CE1 3.28Å; H881-F892 HydrophobicContact CB-CZ 4.42Å; H881-F892 VanDerWaalsContact O-CZ 3.32Å; H881-F892 WeakPolarHBondContact O-CZ 3.47Å; C885-F892 HydrophobicContact CB-CD1 4.01Å; C885-F892 HydrophobicContact CB-CD2 4.28Å; C885-F892 HydrophobicContact CB-CE1 4.18Å; C885-F892 HydrophobicContact CB-CE2 4.45Å; C885-F892 HydrophobicContact CB-CG 4.06Å; C885-F892 HydrophobicContact CB-CZ 4.4Å; E888-F892 HydrophobicContact CB-CD2 4.49Å; E888-F892 WeakPolarHBondContact O-CD2 3.45Å; E888-F892 PolarHBondContact O-N 2.69Å; K889-F892 CarbonylContact O-C 3.52Å; K889-F892 PolarHBondContact O-N 2.93Å; D890-F892 VanDerWaalsContact C-N 3.32Å; F892-G894 PolarHBondContact O-N 3.35Å; F892-I895 HydrophobicContact CD1-CD1 4.34Å; F892-I895 PolarHBondContact O-N 3.37Å; F892-I895 VanDerWaalsContact O-N 3.1Å; F892-F900 HydrophobicContact CD1-CE2 4.26Å; F892-F900 HydrophobicContact CD1-CZ 4.28Å; F892-F900 HydrophobicContact CE1-CE2 4.08Å; F892-F900 AromaticContact CE1-CZ 3.85Å; F892-F900 HydrophobicContact CE1-CZ 3.85Å
893H77.6Confident80.5Confident164 Ų16475.9 Ų75.976%0.75941%0.408SS*.THydrogen-bonded Turntrans-58.8121.7-177-175.8-75.8000112.4K889K889-H893 PolarHBondContact O-N 3.08Å
894G79.9Confident81.2Confident79 Ų7975 Ų7581%0.81440%0.403SS*.THydrogen-bonded Turntrans88.14.7178.900000115F892F892-G894 PolarHBondContact O-N 3.35Å
895I80.7Confident81.9Confident37 Ų3774.2 Ų74.219%0.1940%0.4CS..  trans-108.1129.5177.7-62155.1000108.6L874 Q878 F892 I899 F900L874-I895 HydrophobicContact CD2-CD1 3.31Å; L874-I895 HydrophobicContact CD2-CG1 3.76Å; L874-I895 HydrophobicContact CD2-CG2 4.08Å; Q878-I895 HydrophobicContact CG-CD1 4.42Å; F892-I895 HydrophobicContact CD1-CD1 4.34Å; F892-I895 PolarHBondContact O-N 3.37Å; F892-I895 VanDerWaalsContact O-N 3.1Å; I895-I899 HydrophobicContact CG2-CG2 3.91Å; I895-F900 HydrophobicContact CG2-CE2 4.49Å
896D84.2Confident82.5Confident119 Ų11974.7 Ų74.764%0.63640%0.402SS*.  trans-78.8120168.4-176.2-2.2000109H898 I899D896-H898 PolarHBondContact O-N 2.85Å; D896-H898 VanDerWaalsContact O-N 3.1Å; D896-H898 PolarHBondContact OD1-N 3.28Å; D896-H898 VanDerWaalsContact OD1-N 3.12Å; D896-I899 VanDerWaalsContact O-CB 3.27Å; D896-I899 WeakPolarHBondContact O-CB 3.49Å; D896-I899 WeakPolarHBondContact O-CG2 3.39Å; D896-I899 PolarHBondContact O-N 3.08Å
897C83.6Confident83.6Confident34 Ų3468 Ų6823%0.2337%0.367CS..G310 helixtrans-60.9-21.5-178.3-58.90000112.8C885 L886 I899 F900C885-C897 HydrophobicContact CB-CB 3.88Å; C885-C897 WeakPolarHBondContact CB-SG 3.33Å; C885-C897 WeakPolarHBondContact SG-CA 3.47Å; C885-C897 WeakPolarHBondContact SG-CB 3.47Å; C885-C897 CovalentContact SG-SG 2.04Å; C885-C897 PolarHBondContact SG-SG 3.37Å; L886-C897 HydrophobicContact CD2-CB 4.36Å; C897-I899 PolarHBondContact O-N 3.36Å; C897-I899 VanDerWaalsContact O-N 3.12Å; C897-F900 WeakPolarHBondContact O-CD2 3.38Å; C897-F900 PolarHBondContact O-N 3.27Å
898H83.4Confident84.6Confident128 Ų12865.1 Ų65.159%0.59334%0.343SS*.G310 helixtrans-64.2-15.1175.3-145.6-49.3000113D896 F900 E901D896-H898 PolarHBondContact O-N 2.85Å; D896-H898 VanDerWaalsContact O-N 3.1Å; D896-H898 PolarHBondContact OD1-N 3.28Å; D896-H898 VanDerWaalsContact OD1-N 3.12Å; H898-F900 PolarHBondContact O-N 3.07Å; H898-E901 IonicContact CE1-OE2 3.42Å; H898-E901 IonicContact ND1-OE2 3.6Å; H898-E901 PolarHBondContact O-N 2.78Å
899I86.2Confident85.6Confident39 Ų3961.8 Ų61.820%0.233%0.327CS..G310 helixtrans-64.6-27.3177.7-159.662.2000113.1W864 P872 I895 D896 C897 E901 N902W864-I899 HydrophobicContact CH2-CD1 3.85Å; W864-I899 HydrophobicContact CH2-CG1 4.36Å; W864-I899 HydrophobicContact CZ3-CD1 4.33Å; W864-I899 HydrophobicContact CZ3-CG1 4.34Å; P872-I899 HydrophobicContact CB-CG1 4.12Å; P872-I899 HydrophobicContact CG-CG1 3.94Å; I895-I899 HydrophobicContact CG2-CG2 3.91Å; D896-I899 VanDerWaalsContact O-CB 3.27Å; D896-I899 WeakPolarHBondContact O-CB 3.49Å; D896-I899 WeakPolarHBondContact O-CG2 3.39Å; D896-I899 PolarHBondContact O-N 3.08Å; C897-I899 PolarHBondContact O-N 3.36Å; C897-I899 VanDerWaalsContact O-N 3.12Å; I899-E901 VanDerWaalsContact C-N 3.26Å; I899-E901 PolarHBondContact O-N 3.17Å; I899-N902 HydrophobicContact CD1-CB 4.44Å; I899-N902 WeakPolarHBondContact O-CB 3.36Å; I899-N902 PolarHBondContact O-N 3.16Å
900F85.9Confident86.7Confident22 Ų2254.4 Ų54.410%0.09630%0.295CS..G310 helixtrans-73.1-21.2179.8-66-68.8000112.6P793 F865 L874 L879 H882 C885 F892 I895 C897 H898 N902P793-F900 HydrophobicContact CG-CD1 3.83Å; F865-F900 HydrophobicContact CE1-CD1 4.02Å; F865-F900 HydrophobicContact CZ-CD1 4.38Å; L874-F900 HydrophobicContact CD1-CD1 4.37Å; L874-F900 HydrophobicContact CD1-CE1 3.4Å; L874-F900 VanDerWaalsContact CD1-CE1 3.4Å; L874-F900 HydrophobicContact CD1-CZ 3.65Å; L879-F900 HydrophobicContact CD1-CE1 4.29Å; H882-F900 HydrophobicContact CB-CD1 3.5Å; H882-F900 HydrophobicContact CB-CD2 4.09Å; H882-F900 HydrophobicContact CB-CE1 3.52Å; H882-F900 HydrophobicContact CB-CE2 4.12Å; H882-F900 HydrophobicContact CB-CG 3.79Å; H882-F900 HydrophobicContact CB-CZ 3.85Å; C885-F900 HydrophobicContact CB-CD2 4.44Å; C885-F900 HydrophobicContact CB-CE2 4.04Å; F892-F900 HydrophobicContact CD1-CE2 4.26Å; F892-F900 HydrophobicContact CD1-CZ 4.28Å; F892-F900 HydrophobicContact CE1-CE2 4.08Å; F892-F900 AromaticContact CE1-CZ 3.85Å; F892-F900 HydrophobicContact CE1-CZ 3.85Å; I895-F900 HydrophobicContact CG2-CE2 4.49Å; C897-F900 WeakPolarHBondContact O-CD2 3.38Å; C897-F900 PolarHBondContact O-N 3.27Å; H898-F900 PolarHBondContact O-N 3.07Å; F900-N902 VanDerWaalsContact C-N 3.34Å
901E81Confident87.7Confident141 Ų14147.2 Ų47.266%0.65926%0.257SS*.G310 helixtrans-94.59.7174.1-62.2178.717900112.1H898 I899H898-E901 IonicContact CE1-OE2 3.42Å; H898-E901 IonicContact ND1-OE2 3.6Å; H898-E901 PolarHBondContact O-N 2.78Å; I899-E901 VanDerWaalsContact C-N 3.26Å; I899-E901 PolarHBondContact O-N 3.17Å
902N88.6Confident88.6Confident48 Ų4843.8 Ų43.826%0.25724%0.238SC..  trans-66.5133.6-179.4-165.8-53.9000110.5W864 I899 F900 K904 P905W864-N902 HydrophobicContact CH2-CB 4.1Å; W864-N902 HydrophobicContact CZ3-CB 4.42Å; I899-N902 HydrophobicContact CD1-CB 4.44Å; I899-N902 WeakPolarHBondContact O-CB 3.36Å; I899-N902 PolarHBondContact O-N 3.16Å; F900-N902 VanDerWaalsContact C-N 3.34Å; N902-K904 VanDerWaalsContact C-N 3.28Å; N902-K904 PolarHBondContact O-N 2.95Å; N902-K904 VanDerWaalsContact OD1-CB 3.27Å; N902-K904 WeakPolarHBondContact OD1-CB 3.36Å; N902-K904 WeakPolarHBondContact OD1-CG 3.21Å; N902-K904 PolarHBondContact OD1-N 3.3Å; N902-P905 WeakPolarHBondContact O-CD 3.26Å; N902-P905 VanDerWaalsContact O-CG 3.24Å; N902-P905 WeakPolarHBondContact O-CG 3.42Å
903P90.4Very high89.3Confident38 Ų3843.5 Ų43.525%0.24724%0.237CC..Hα-helixtrans-70.5-16.4179.427-37.5000114.9M906 T907 Q967 T969P903-M906 PolarHBondContact O-N 2.96Å; P903-T907 PolarHBondContact O-N 3.17Å; P903-T907 PolarHBondContact O-OG1 2.79Å; P903-Q967 WeakPolarHBondContact CB-O 3.45Å; P903-T969 HydrophobicContact CB-CG2 3.83Å; P903-T969 HydrophobicContact CG-CG2 3.3Å
904K92.3Very high90.2Very high42 Ų4235.8 Ų35.818%0.18320%0.202CC..Hα-helixtrans-56.2-54178.7-83.9-92.9179.7174.30114.4W864 N902 M906 T907 M908 P970 L971 E975W864-K904 HydrophobicContact CD2-CB 4.17Å; W864-K904 HydrophobicContact CH2-CB 4.22Å; W864-K904 HydrophobicContact CZ2-CB 3.54Å; W864-K904 HydrophobicContact CZ2-CG 3.97Å; N902-K904 VanDerWaalsContact C-N 3.28Å; N902-K904 PolarHBondContact O-N 2.95Å; N902-K904 VanDerWaalsContact OD1-CB 3.27Å; N902-K904 WeakPolarHBondContact OD1-CB 3.36Å; N902-K904 WeakPolarHBondContact OD1-CG 3.21Å; N902-K904 PolarHBondContact OD1-N 3.3Å; K904-M906 VanDerWaalsContact C-N 3.33Å; K904-M906 PolarHBondContact O-N 2.94Å; K904-T907 WeakPolarHBondContact O-CA 3.05Å; K904-T907 WeakPolarHBondContact O-CB 3.42Å; K904-T907 PolarHBondContact O-N 3.4Å; K904-T907 VanDerWaalsContact O-N 3.09Å; K904-M908 PolarHBondContact O-N 3.14Å; K904-P970 PolarHBondContact NZ-O 2.86Å; K904-L971 HydrophobicContact CD-CD2 4.38Å; K904-E975 WeakPolarHBondContact CD-OE1 3.36Å; K904-E975 IonicContact NZ-OE1 2.71Å; K904-E975 PolarHBondContact NZ-OE1 2.98Å; K904-E975 IonicContact NZ-OE2 3.18Å; K904-E975 PolarHBondContact NZ-OE2 2.96Å
905P93.3Very high91Very high5 Ų532.8 Ų32.83%0.03217%0.167CC..Hα-helixtrans-60.2-40.1179.117.7-31000112.8A861 W864 F865 N902 T907 M908 A909A861-P905 HydrophobicContact CB-CB 4.19Å; W864-P905 HydrophobicContact CB-CB 4.48Å; W864-P905 HydrophobicContact CD2-CB 4.47Å; W864-P905 HydrophobicContact CD2-CG 4.49Å; W864-P905 HydrophobicContact CE3-CB 4.09Å; W864-P905 HydrophobicContact CE3-CG 3.88Å; W864-P905 HydrophobicContact CZ3-CG 4.1Å; F865-P905 HydrophobicContact CD2-CB 4.1Å; F865-P905 HydrophobicContact CD2-CG 4.48Å; F865-P905 HydrophobicContact CE1-CG 4.32Å; F865-P905 HydrophobicContact CE2-CB 3.53Å; F865-P905 HydrophobicContact CE2-CG 3.63Å; F865-P905 HydrophobicContact CZ-CB 4.01Å; F865-P905 HydrophobicContact CZ-CG 3.54Å; N902-P905 WeakPolarHBondContact O-CD 3.26Å; N902-P905 VanDerWaalsContact O-CG 3.24Å; N902-P905 WeakPolarHBondContact O-CG 3.42Å; P905-T907 VanDerWaalsContact C-N 3.3Å; P905-T907 PolarHBondContact O-N 3.48Å; P905-M908 WeakPolarHBondContact O-CB 3.44Å; P905-M908 PolarHBondContact O-N 3.1Å; P905-A909 PolarHBondContact O-N 3.19Å
906M93.6Very high91.7Very high15 Ų1531 Ų317%0.07416%0.158CC..Hα-helixtrans-61.6-40.6172.5-69-172.6-78.100111.5E794 A795 I797 P903 K904 M908 A909 L910 Q967E794-M906 WeakPolarHBondContact O-CG 3.29Å; A795-M906 WeakPolarHBondContact O-CA 3.45Å; I797-M906 HydrophobicContact CG2-SD 3.92Å; P903-M906 PolarHBondContact O-N 2.96Å; K904-M906 VanDerWaalsContact C-N 3.33Å; K904-M906 PolarHBondContact O-N 2.94Å; M906-M908 VanDerWaalsContact C-N 3.35Å; M906-M908 PolarHBondContact O-N 2.63Å; M906-A909 PolarHBondContact O-N 2.95Å; M906-L910 WeakPolarHBondContact O-CB 3.19Å; M906-L910 PolarHBondContact O-N 3.39Å; M906-Q967 HydrophobicContact CE-CB 3.95Å
907T95.9Very high92.3Very high0 Ų025.4 Ų25.40%013%0.128CC..Hα-helixtrans-65.3-37.5176.4-49.10000112.7P903 K904 P905 S911 L957 I968 T969 L971P903-T907 PolarHBondContact O-N 3.17Å; P903-T907 PolarHBondContact O-OG1 2.79Å; K904-T907 WeakPolarHBondContact O-CA 3.05Å; K904-T907 WeakPolarHBondContact O-CB 3.42Å; K904-T907 PolarHBondContact O-N 3.4Å; K904-T907 VanDerWaalsContact O-N 3.09Å; P905-T907 VanDerWaalsContact C-N 3.3Å; P905-T907 PolarHBondContact O-N 3.48Å; T907-S911 VanDerWaalsContact O-CB 3.25Å; T907-S911 WeakPolarHBondContact O-CB 3.28Å; T907-S911 PolarHBondContact O-N 3.47Å; T907-S911 PolarHBondContact O-OG 3.26Å; T907-L957 HydrophobicContact CG2-CD2 3.38Å; T907-I968 HydrophobicContact CG2-CB 4.31Å; T907-I968 HydrophobicContact CG2-CG2 4.5Å; T907-I968 VanDerWaalsContact OG1-CA 3.32Å; T907-I968 WeakPolarHBondContact OG1-CA 3.46Å; T907-I968 WeakPolarHBondContact OG1-CB 3.43Å; T907-T969 VanDerWaalsContact CG2-O 3.31Å; T907-T969 WeakPolarHBondContact CG2-O 3.2Å; T907-T969 PolarHBondContact OG1-N 2.97Å; T907-L971 HydrophobicContact CG2-CD1 4.09Å; T907-L971 HydrophobicContact CG2-CD2 3.9Å; T907-L971 HydrophobicContact CG2-CG 3.76Å
908M96.3Very high92.8Very high0 Ų023.9 Ų23.90%012%0.117CC..Hα-helixtrans-62.4-47.5174.9-75.3-64.9-60.200111A860 W863 W864 K904 P905 M906 S911 V912 L971 E975 M978 V979A860-M908 HydrophobicContact CB-CB 4.41Å; W863-M908 HydrophobicContact CE3-CE 3.83Å; W863-M908 HydrophobicContact CZ3-CE 3.65Å; W863-M908 HydrophobicContact CZ3-SD 4.44Å; W864-M908 HydrophobicContact CB-CG 4.42Å; K904-M908 PolarHBondContact O-N 3.14Å; P905-M908 WeakPolarHBondContact O-CB 3.44Å; P905-M908 PolarHBondContact O-N 3.1Å; M906-M908 VanDerWaalsContact C-N 3.35Å; M906-M908 PolarHBondContact O-N 2.63Å; M908-S911 PolarHBondContact O-N 2.94Å; M908-V912 WeakPolarHBondContact O-CB 3.35Å; M908-V912 WeakPolarHBondContact O-CG2 3.36Å; M908-V912 PolarHBondContact O-N 3.42Å; M908-L971 HydrophobicContact CG-CD2 4.19Å; M908-L971 HydrophobicContact SD-CD1 3.98Å; M908-L971 HydrophobicContact SD-CD2 3.8Å; M908-E975 HydrophobicContact SD-CB 3.72Å; M908-E975 HydrophobicContact SD-CG 4.12Å; M908-M978 HydrophobicContact CE-CB 4.3Å; M908-M978 HydrophobicContact CE-CG 4.49Å; M908-V979 HydrophobicContact CE-CG2 3.77Å; M908-V979 HydrophobicContact SD-CG2 4.03Å
909A96Very high93.4Very high0 Ų019.7 Ų19.70%010%0.098CC..Hα-helixtrans-61.5-48.4176.600000111.7A795 L796 A861 P905 M906 S911 V912 L913A795-A909 HydrophobicContact CB-CB 4.13Å; A795-A909 VanDerWaalsContact O-CB 3.29Å; A795-A909 WeakPolarHBondContact O-CB 3.29Å; L796-A909 HydrophobicContact CD2-CB 4.04Å; L796-A909 HydrophobicContact CG-CB 4.24Å; A861-A909 HydrophobicContact CB-CB 4.29Å; P905-A909 PolarHBondContact O-N 3.19Å; M906-A909 PolarHBondContact O-N 2.95Å; A909-S911 PolarHBondContact O-N 3.23Å; A909-V912 PolarHBondContact O-N 2.99Å; A909-L913 PolarHBondContact O-N 2.88Å
910L96.2Very high93.7Very high2 Ų218 Ų181%0.019%0.089CC..Hα-helixtrans-60.9-44.7178.9-177.263.7000111.7L796 Q800 V804 M906 V912 L913 V914 I956 I968L796-L910 HydrophobicContact CD2-CB 3.94Å; L796-L910 HydrophobicContact CD2-CD1 4.21Å; Q800-L910 HydrophobicContact CB-CD1 4.1Å; Q800-L910 HydrophobicContact CB-CD2 4.46Å; Q800-L910 HydrophobicContact CG-CD2 4.22Å; V804-L910 HydrophobicContact CG2-CD1 3.58Å; M906-L910 WeakPolarHBondContact O-CB 3.19Å; M906-L910 PolarHBondContact O-N 3.39Å; L910-V912 VanDerWaalsContact C-N 3.31Å; L910-V912 PolarHBondContact O-N 3.33Å; L910-L913 WeakPolarHBondContact O-CB 3.43Å; L910-L913 PolarHBondContact O-N 3.27Å; L910-V914 HydrophobicContact CD1-CG2 4.36Å; L910-V914 HydrophobicContact CG-CG2 4.5Å; L910-V914 WeakPolarHBondContact O-CG2 3.33Å; L910-V914 PolarHBondContact O-N 3.11Å; L910-I956 HydrophobicContact CD2-CD1 4.34Å; L910-I968 HydrophobicContact CD2-CD1 4.3Å; L910-I968 HydrophobicContact CD2-CG2 3.92Å
911S97Very high94Very high0 Ų017 Ų170%08%0.084CC..Hα-helixtrans-68.1-32.4-179.6-57.70000112.3T907 M908 A909 L915 H953 L971 V979T907-S911 VanDerWaalsContact O-CB 3.25Å; T907-S911 WeakPolarHBondContact O-CB 3.28Å; T907-S911 PolarHBondContact O-N 3.47Å; T907-S911 PolarHBondContact O-OG 3.26Å; M908-S911 PolarHBondContact O-N 2.94Å; A909-S911 PolarHBondContact O-N 3.23Å; S911-L915 WeakPolarHBondContact O-CB 3.21Å; S911-L915 PolarHBondContact O-N 2.87Å; S911-L915 VanDerWaalsContact O-N 3.09Å; S911-H953 PolarHBondContact OG-NE2 2.93Å; S911-H953 VanDerWaalsContact OG-NE2 3.07Å; S911-L971 WeakPolarHBondContact OG-CD1 3.47Å; S911-V979 WeakPolarHBondContact O-CG1 3.49Å
912V97.3Very high94.6Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-67.3-44.6171.7165.30000111.3A856 T857 A860 M908 A909 L910 L915 I916 V979 I982 S983A856-V912 HydrophobicContact CB-CG1 3.94Å; T857-V912 HydrophobicContact CG2-CG1 4.38Å; A860-V912 HydrophobicContact CB-CB 4.27Å; A860-V912 HydrophobicContact CB-CG2 3.66Å; M908-V912 WeakPolarHBondContact O-CB 3.35Å; M908-V912 WeakPolarHBondContact O-CG2 3.36Å; M908-V912 PolarHBondContact O-N 3.42Å; A909-V912 PolarHBondContact O-N 2.99Å; L910-V912 VanDerWaalsContact C-N 3.31Å; L910-V912 PolarHBondContact O-N 3.33Å; V912-L915 PolarHBondContact O-N 3.13Å; V912-I916 HydrophobicContact CG1-CD1 3.62Å; V912-I916 HydrophobicContact CG1-CG1 4.29Å; V912-I916 WeakPolarHBondContact O-CB 3.49Å; V912-I916 VanDerWaalsContact O-CG1 3.25Å; V912-I916 WeakPolarHBondContact O-CG1 3.47Å; V912-I916 PolarHBondContact O-N 3.26Å; V912-V979 HydrophobicContact CG2-CB 4.2Å; V912-V979 HydrophobicContact CG2-CG1 3.94Å; V912-V979 HydrophobicContact CG2-CG2 4.13Å; V912-I982 HydrophobicContact CG1-CG2 3.79Å; V912-I982 HydrophobicContact CG2-CB 4.35Å; V912-I982 HydrophobicContact CG2-CG2 4.22Å; V912-S983 PolarHBondContact O-OG 3.48Å
913L96.1Very high94.7Very high1 Ų19 Ų91%0.0055%0.046CC..Hα-helixtrans-56.9-56.2176179.660.6000110.5E780 L796 L801 V804 V853 T857 A909 L910 L915 I916 E917E780-L913 HydrophobicContact CG-CD1 4.37Å; E780-L913 HydrophobicContact CG-CD2 4.15Å; L796-L913 HydrophobicContact CD1-CD2 3.89Å; L801-L913 HydrophobicContact CD2-CD2 4.24Å; V804-L913 HydrophobicContact CG1-CD2 4.11Å; V804-L913 HydrophobicContact CG1-CG 4.37Å; V804-L913 HydrophobicContact CG2-CD2 4.24Å; V853-L913 HydrophobicContact CG1-CD1 3.54Å; T857-L913 HydrophobicContact CG2-CB 3.82Å; T857-L913 HydrophobicContact CG2-CD1 4.4Å; A909-L913 PolarHBondContact O-N 2.88Å; L910-L913 WeakPolarHBondContact O-CB 3.43Å; L910-L913 PolarHBondContact O-N 3.27Å; L913-L915 VanDerWaalsContact C-N 3.33Å; L913-L915 PolarHBondContact O-N 3.42Å; L913-I916 PolarHBondContact O-N 2.88Å; L913-E917 HydrophobicContact CD1-CG 4.22Å; L913-E917 WeakPolarHBondContact O-CG 3.49Å; L913-E917 PolarHBondContact O-N 2.92Å
914V96.5Very high94.7Very high1 Ų17.6 Ų7.61%0.0064%0.037CC..Hα-helixtrans-55.9-46.2-179.6170.70000111.7V804 T808 L910 E917 M918 M950 H953V804-V914 HydrophobicContact CG2-CG2 4.2Å; T808-V914 HydrophobicContact CG2-CB 4.32Å; T808-V914 HydrophobicContact CG2-CG1 3.76Å; T808-V914 HydrophobicContact CG2-CG2 3.97Å; L910-V914 HydrophobicContact CD1-CG2 4.36Å; L910-V914 HydrophobicContact CG-CG2 4.5Å; L910-V914 WeakPolarHBondContact O-CG2 3.33Å; L910-V914 PolarHBondContact O-N 3.11Å; V914-E917 PolarHBondContact O-N 2.94Å; V914-M918 WeakPolarHBondContact O-CG 3.2Å; V914-M918 PolarHBondContact O-N 3.43Å; V914-M950 HydrophobicContact CG1-SD 3.9Å; V914-H953 HydrophobicContact CG1-CB 4.17Å
915L96.6Very high94.5Very high17 Ų176 Ų69%0.0893%0.031CC..Hα-helixtrans-71-35.8-178.3-173.163.3000112.7S911 V912 L913 E917 F919 M950 V979 I980S911-L915 WeakPolarHBondContact O-CB 3.21Å; S911-L915 PolarHBondContact O-N 2.87Å; S911-L915 VanDerWaalsContact O-N 3.09Å; V912-L915 PolarHBondContact O-N 3.13Å; L913-L915 VanDerWaalsContact C-N 3.33Å; L913-L915 PolarHBondContact O-N 3.42Å; L915-E917 VanDerWaalsContact C-N 3.35Å; L915-F919 HydrophobicContact CD1-CE1 4.37Å; L915-F919 HydrophobicContact CD1-CE2 4.05Å; L915-F919 HydrophobicContact CD1-CZ 3.88Å; L915-F919 HydrophobicContact CD2-CE2 4.17Å; L915-F919 HydrophobicContact CD2-CZ 4.48Å; L915-F919 HydrophobicContact CG-CD2 4.32Å; L915-F919 HydrophobicContact CG-CE2 3.76Å; L915-F919 HydrophobicContact CG-CZ 4.1Å; L915-F919 WeakPolarHBondContact O-CD2 3.41Å; L915-F919 WeakPolarHBondContact O-CG 3.36Å; L915-F919 PolarHBondContact O-N 2.89Å; L915-M950 HydrophobicContact CD1-SD 4.48Å; L915-V979 HydrophobicContact CB-CG1 4.31Å; L915-V979 HydrophobicContact CD2-CG1 3.89Å; L915-I980 HydrophobicContact CD2-CB 4.32Å; L915-I980 HydrophobicContact CD2-CG1 3.77Å
916I96.4Very high94.1Very high0 Ų06.5 Ų6.50%03%0.034CC..Hα-helixtrans-61.7-45.9172.7-75.3174.4000109.8Y852 V853 A856 V912 L913 M918 F919 N920 V986Y852-I916 HydrophobicContact CD1-CD1 4.41Å; Y852-I916 HydrophobicContact CE1-CD1 4.03Å; V853-I916 HydrophobicContact CB-CG2 4.44Å; V853-I916 HydrophobicContact CG1-CG2 4.36Å; V853-I916 HydrophobicContact CG2-CG2 3.54Å; A856-I916 HydrophobicContact CB-CD1 3.62Å; V912-I916 HydrophobicContact CG1-CD1 3.62Å; V912-I916 HydrophobicContact CG1-CG1 4.29Å; V912-I916 WeakPolarHBondContact O-CB 3.49Å; V912-I916 VanDerWaalsContact O-CG1 3.25Å; V912-I916 WeakPolarHBondContact O-CG1 3.47Å; V912-I916 PolarHBondContact O-N 3.26Å; L913-I916 PolarHBondContact O-N 2.88Å; I916-M918 VanDerWaalsContact C-N 3.34Å; I916-M918 PolarHBondContact O-N 2.76Å; I916-F919 CarbonylContact O-C 3.59Å; I916-F919 WeakPolarHBondContact O-CA 3.12Å; I916-F919 WeakPolarHBondContact O-CB 3.4Å; I916-F919 PolarHBondContact O-N 2.64Å; I916-F919 VanDerWaalsContact O-N 3.07Å; I916-N920 WeakPolarHBondContact O-CB 3.4Å; I916-N920 PolarHBondContact O-N 3.44Å; I916-V986 HydrophobicContact CG2-CB 4.35Å; I916-V986 HydrophobicContact CG2-CG1 4.27Å; I916-V986 HydrophobicContact CG2-CG2 4.13Å
917E95.1Very high93.5Very high0 Ų08.4 Ų8.40%04%0.043CC..Hα-helixtrans-66.8-35-178.4-67.7-48.6135.400112.7Y772 S776 D809 L913 V914 L915 F919 N920 A921Y772-E917 HydrophobicContact CE2-CB 4.17Å; Y772-E917 WeakPolarHBondContact CE2-O 3.31Å; Y772-E917 VanDerWaalsContact CE2-OE2 3.29Å; Y772-E917 WeakPolarHBondContact CE2-OE2 3.21Å; S776-E917 VanDerWaalsContact CB-CD 3.42Å; S776-E917 WeakPolarHBondContact OG-CG 3.38Å; D809-E917 WeakPolarHBondContact OD1-CB 3.41Å; L913-E917 HydrophobicContact CD1-CG 4.22Å; L913-E917 WeakPolarHBondContact O-CG 3.49Å; L913-E917 PolarHBondContact O-N 2.92Å; V914-E917 PolarHBondContact O-N 2.94Å; L915-E917 VanDerWaalsContact C-N 3.35Å; E917-F919 VanDerWaalsContact C-N 3.3Å; E917-F919 PolarHBondContact O-N 3.31Å; E917-N920 PolarHBondContact O-N 2.87Å; E917-N920 PolarHBondContact OE2-ND2 3.32Å; E917-N920 VanDerWaalsContact OE2-ND2 3.11Å; E917-A921 WeakPolarHBondContact O-CB 3.45Å; E917-A921 PolarHBondContact O-N 3.12Å
918M95.2Very high92.7Very high3 Ų39.5 Ų9.52%0.0155%0.049CC..Hα-helixtrans-60.3-39.7170.7-69.2-48.994.200112.2T808 P812 V914 I916 L922 M946 M950T808-M918 HydrophobicContact CG2-CE 4Å; P812-M918 HydrophobicContact CG-CE 3.59Å; P812-M918 HydrophobicContact CG-SD 4.05Å; V914-M918 WeakPolarHBondContact O-CG 3.2Å; V914-M918 PolarHBondContact O-N 3.43Å; I916-M918 VanDerWaalsContact C-N 3.34Å; I916-M918 PolarHBondContact O-N 2.76Å; M918-L922 PolarHBondContact O-N 2.81Å; M918-M946 HydrophobicContact CB-CE 4.06Å; M918-M946 VanDerWaalsContact O-CE 3.29Å; M918-M946 WeakPolarHBondContact O-CE 3.22Å; M918-M946 HydrophobicContact SD-CB 4Å; M918-M946 HydrophobicContact SD-CG 3.92Å; M918-M950 HydrophobicContact CG-CG 4.1Å; M918-M950 HydrophobicContact CG-SD 3.93Å
919F94.8Very high92.1Very high40 Ų4014.1 Ų14.118%0.1757%0.071CC..Hα-helixtrans-73.8-34.3174.7-67-30000112.9L915 I916 E917 A921 L922 N923 A984 V986 I987L915-F919 HydrophobicContact CD1-CE1 4.37Å; L915-F919 HydrophobicContact CD1-CE2 4.05Å; L915-F919 HydrophobicContact CD1-CZ 3.88Å; L915-F919 HydrophobicContact CD2-CE2 4.17Å; L915-F919 HydrophobicContact CD2-CZ 4.48Å; L915-F919 HydrophobicContact CG-CD2 4.32Å; L915-F919 HydrophobicContact CG-CE2 3.76Å; L915-F919 HydrophobicContact CG-CZ 4.1Å; L915-F919 WeakPolarHBondContact O-CD2 3.41Å; L915-F919 WeakPolarHBondContact O-CG 3.36Å; L915-F919 PolarHBondContact O-N 2.89Å; I916-F919 CarbonylContact O-C 3.59Å; I916-F919 WeakPolarHBondContact O-CA 3.12Å; I916-F919 WeakPolarHBondContact O-CB 3.4Å; I916-F919 PolarHBondContact O-N 2.64Å; I916-F919 VanDerWaalsContact O-N 3.07Å; E917-F919 VanDerWaalsContact C-N 3.3Å; E917-F919 PolarHBondContact O-N 3.31Å; F919-A921 VanDerWaalsContact C-N 3.31Å; F919-L922 HydrophobicContact CD1-CD1 4.41Å; F919-L922 WeakPolarHBondContact O-CB 3.23Å; F919-L922 PolarHBondContact O-N 2.92Å; F919-N923 PolarHBondContact O-N 3.41Å; F919-A984 HydrophobicContact CE2-CB 4.16Å; F919-V986 HydrophobicContact CB-CG1 3.55Å; F919-V986 HydrophobicContact CD2-CG1 4.24Å; F919-V986 HydrophobicContact CG-CG1 4.4Å; F919-I987 HydrophobicContact CB-CD1 4.02Å; F919-I987 HydrophobicContact CB-CG1 3.72Å; F919-I987 HydrophobicContact CD1-CD1 3.75Å; F919-I987 HydrophobicContact CD1-CG1 4.42Å; F919-I987 HydrophobicContact CD2-CD1 4.39Å; F919-I987 HydrophobicContact CE1-CD1 4.29Å; F919-I987 HydrophobicContact CG-CD1 3.8Å; F919-I987 HydrophobicContact CG-CG1 4Å
920N92.8Very high91.7Very high4 Ų414.9 Ų14.92%0.0218%0.076CC..Hα-helixtrans-67.7-33.2175.3-164.126.3000111.7Y772 S775 I916 E917 L922 N923 S924Y772-N920 HydrophobicContact CD2-CB 4.42Å; Y772-N920 HydrophobicContact CE2-CB 4.4Å; S775-N920 PolarHBondContact OG-ND2 2.63Å; I916-N920 WeakPolarHBondContact O-CB 3.4Å; I916-N920 PolarHBondContact O-N 3.44Å; E917-N920 PolarHBondContact O-N 2.87Å; E917-N920 PolarHBondContact OE2-ND2 3.32Å; E917-N920 VanDerWaalsContact OE2-ND2 3.11Å; N920-L922 VanDerWaalsContact C-N 3.33Å; N920-L922 PolarHBondContact O-N 3.31Å; N920-N923 WeakPolarHBondContact O-CB 3.28Å; N920-N923 PolarHBondContact O-N 3.25Å; N920-S924 WeakPolarHBondContact O-CB 3.24Å; N920-S924 PolarHBondContact O-N 3.25Å; N920-S924 PolarHBondContact O-OG 3.43Å
921A93.5Very high91.3Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-63-38.6172.100000111.5Y772 P812 E917 F919 S924 L925 L942Y772-A921 HydrophobicContact CD2-CB 4.38Å; Y772-A921 HydrophobicContact CE2-CB 3.96Å; P812-A921 HydrophobicContact CB-CB 3.83Å; E917-A921 WeakPolarHBondContact O-CB 3.45Å; E917-A921 PolarHBondContact O-N 3.12Å; F919-A921 VanDerWaalsContact C-N 3.31Å; A921-S924 CarbonylContact O-C 3.42Å; A921-S924 WeakPolarHBondContact O-CA 3.38Å; A921-S924 WeakPolarHBondContact O-CB 3.48Å; A921-S924 PolarHBondContact O-N 3.19Å; A921-S924 VanDerWaalsContact O-N 3.16Å; A921-L925 PolarHBondContact O-N 3.15Å; A921-L942 HydrophobicContact CB-CD1 4.16Å
922L93Very high90.8Very high21 Ų2122.1 Ų22.111%0.1112%0.119CC..Hα-helixtrans-64.3-46.8171.9-67.6178.4000111.9M918 F919 N920 S924 L925 L931 P936 L942 M946M918-L922 PolarHBondContact O-N 2.81Å; F919-L922 HydrophobicContact CD1-CD1 4.41Å; F919-L922 WeakPolarHBondContact O-CB 3.23Å; F919-L922 PolarHBondContact O-N 2.92Å; N920-L922 VanDerWaalsContact C-N 3.33Å; N920-L922 PolarHBondContact O-N 3.31Å; L922-S924 PolarHBondContact O-N 2.91Å; L922-L925 HydrophobicContact CD2-CD1 4.27Å; L922-L925 WeakPolarHBondContact O-CB 3.45Å; L922-L925 PolarHBondContact O-N 3.41Å; L922-L931 HydrophobicContact CB-CD2 4.21Å; L922-P936 HydrophobicContact CD2-CB 3.82Å; L922-P936 HydrophobicContact CD2-CG 4.18Å; L922-L942 HydrophobicContact CD2-CD2 4.32Å; L922-M946 HydrophobicContact CD1-CE 3.93Å; L922-M946 HydrophobicContact CD2-CE 3.99Å; L922-M946 HydrophobicContact CD2-SD 3.56Å; L922-M946 VanDerWaalsContact CD2-SD 3.56Å; L922-M946 HydrophobicContact CG-CE 3.73Å; L922-M946 HydrophobicContact CG-SD 3.84Å
923N91.1Very high90.2Very high1 Ų125.1 Ų25.11%0.00514%0.144CC..Hα-helixtrans-56.7-31.5173.6-76.4-20.6000111.5F919 N920 L925 L931 V986 D990 K994F919-N923 PolarHBondContact O-N 3.41Å; N920-N923 WeakPolarHBondContact O-CB 3.28Å; N920-N923 PolarHBondContact O-N 3.25Å; N923-L925 VanDerWaalsContact C-N 3.27Å; N923-L925 PolarHBondContact O-N 3.41Å; N923-L931 WeakPolarHBondContact OD1-CD1 3.37Å; N923-V986 PolarHBondContact ND2-O 3.14Å; N923-D990 HydrophobicContact CB-CB 4.2Å; N923-D990 VanDerWaalsContact CB-OD2 3.26Å; N923-D990 WeakPolarHBondContact CB-OD2 2.93Å; N923-D990 WeakPolarHBondContact ND2-CB 3.42Å; N923-K994 WeakPolarHBondContact O-CE 3.48Å; N923-K994 PolarHBondContact O-NZ 3.02Å
924S90.2Very high89.6Confident8 Ų827 Ų276%0.05615%0.152CC..THydrogen-bonded Turntrans-79.56.3177.4-61.50000114.5Q768 L816 N920 A921 L922 S926Q768-S924 WeakPolarHBondContact CG-O 3.42Å; Q768-S924 PolarHBondContact NE2-O 3.04Å; L816-S924 WeakPolarHBondContact CD2-O 3.41Å; N920-S924 WeakPolarHBondContact O-CB 3.24Å; N920-S924 PolarHBondContact O-N 3.25Å; N920-S924 PolarHBondContact O-OG 3.43Å; A921-S924 CarbonylContact O-C 3.42Å; A921-S924 WeakPolarHBondContact O-CA 3.38Å; A921-S924 WeakPolarHBondContact O-CB 3.48Å; A921-S924 PolarHBondContact O-N 3.19Å; A921-S924 VanDerWaalsContact O-N 3.16Å; L922-S924 PolarHBondContact O-N 2.91Å; S924-S926 PolarHBondContact O-N 2.99Å
925L88.2Confident89.2Confident8 Ų828.2 Ų28.24%0.04216%0.161CC..THydrogen-bonded Turntrans-61.2-31.2169.7-97.8145.3000113.1N819 A921 L922 N923 L931 N939 L942N819-L925 PolarHBondContact ND2-O 2.91Å; A921-L925 PolarHBondContact O-N 3.15Å; L922-L925 HydrophobicContact CD2-CD1 4.27Å; L922-L925 WeakPolarHBondContact O-CB 3.45Å; L922-L925 PolarHBondContact O-N 3.41Å; N923-L925 VanDerWaalsContact C-N 3.27Å; N923-L925 PolarHBondContact O-N 3.41Å; L925-L931 HydrophobicContact CD1-CD2 4.39Å; L925-N939 HydrophobicContact CD2-CB 3.79Å; L925-L942 HydrophobicContact CD1-CD2 3.74Å; L925-L942 HydrophobicContact CD2-CD2 4.36Å; L925-L942 HydrophobicContact CG-CD2 3.69Å
926S83.7Confident88.7Confident16 Ų1629.1 Ų29.111%0.11217%0.168CC..  trans-147.5147.2178-179.20000110.7S924 Q929 K994S924-S926 PolarHBondContact O-N 2.99Å; S926-Q929 WeakPolarHBondContact OG-CB 3.24Å; S926-Q929 WeakPolarHBondContact OG-CG 3.31Å; S926-Q929 PolarHBondContact OG-N 3.26Å; S926-K994 WeakPolarHBondContact O-CE 3.45Å; S926-K994 PolarHBondContact O-NZ 2.77Å
927E80.7Confident88.4Confident55 Ų5538.1 Ų38.126%0.25720%0.202SC..SBendtrans-58.6-59173.8-173.5166-176.400111.1R771 L842 R845R771-E927 VanDerWaalsContact CZ-CD 3.47Å; R771-E927 IonicContact CZ-OE1 2.77Å; R771-E927 IonicContact CZ-OE2 3.72Å; R771-E927 VanDerWaalsContact CZ-OE2 3.23Å; R771-E927 IonicContact NH1-OE1 2.65Å; R771-E927 IonicContact NH1-OE2 3.34Å; R771-E927 PolarHBondContact NH1-OE2 3.45Å; R771-E927 IonicContact NH2-OE1 3.1Å; R771-E927 PolarHBondContact NH2-OE1 2.7Å; R771-E927 IonicContact NH2-OE2 3.53Å; R771-E927 PolarHBondContact NH2-OE2 3.14Å; L842-E927 HydrophobicContact CD1-CG 4.17Å; R845-E927 PolarHBondContact NH1-O 3.28Å; R845-E927 PolarHBondContact NH2-O 3.49Å
928N80.7Confident88Confident23 Ų2341 Ų4112%0.12322%0.219CC..SBendtrans-124.5-7.2-172.4-64.7-31.8000114.2R998 D1002N928-R998 HydrophobicContact CB-CG 4.15Å; N928-R998 WeakPolarHBondContact O-CD 3.5Å; N928-R998 WeakPolarHBondContact O-CG 3.34Å; N928-R998 PolarHBondContact O-NH1 2.95Å; N928-D1002 PolarHBondContact ND2-OD1 2.96Å; N928-D1002 PolarHBondContact ND2-OD2 3.42Å
929Q82.8Confident87.8Confident97 Ų9741.1 Ų41.145%0.45322%0.22SC..  trans-74.5141.3172.7-62.3-94.6-9.800110.5S926 M934 K994S926-Q929 WeakPolarHBondContact OG-CB 3.24Å; S926-Q929 WeakPolarHBondContact OG-CG 3.31Å; S926-Q929 PolarHBondContact OG-N 3.26Å; Q929-M934 HydrophobicContact CB-CB 4.28Å; Q929-M934 HydrophobicContact CB-CE 4.24Å; Q929-M934 HydrophobicContact CG-CE 4.06Å; Q929-K994 WeakPolarHBondContact O-CD 3.28Å; Q929-K994 PolarHBondContact O-NZ 2.9Å; Q929-K994 VanDerWaalsContact O-NZ 3.1Å
930S87.2Confident87.8Confident16 Ų1645.1 Ų45.111%0.11224%0.242CC..  trans-73.1149.4178.5161.40000108.6V932 A933 M934 E991S930-V932 PolarHBondContact O-N 2.91Å; S930-V932 VanDerWaalsContact O-N 3.14Å; S930-V932 WeakPolarHBondContact OG-CB 3.26Å; S930-V932 PolarHBondContact OG-N 2.95Å; S930-A933 PolarHBondContact O-N 3.49Å; S930-M934 PolarHBondContact O-N 3.37Å; S930-E991 WeakPolarHBondContact CA-OE1 3.47Å; S930-E991 WeakPolarHBondContact CB-OE1 3.39Å; S930-E991 PolarHBondContact OG-OE1 3.36Å
931L88.3Confident87.8Confident26 Ų2652.1 Ų52.114%0.13627%0.268CS..THydrogen-bonded Turntrans-59.4-21.2170.5-81.6161.2000112.6L922 N923 L925 M934 P935 P936 I987 E991L922-L931 HydrophobicContact CB-CD2 4.21Å; N923-L931 WeakPolarHBondContact OD1-CD1 3.37Å; L925-L931 HydrophobicContact CD1-CD2 4.39Å; L931-M934 CarbonylContact O-C 3.59Å; L931-P935 WeakPolarHBondContact O-CA 3.27Å; L931-P936 HydrophobicContact CD2-CG 4.19Å; L931-I987 HydrophobicContact CD1-CG2 3.78Å; L931-E991 PolarHBondContact N-OE1 3.38Å
932V87.3Confident87.8Confident128 Ų12852.1 Ų52.178%0.77627%0.268SS*.THydrogen-bonded Turntrans-73.3-35.9172.8-174.40000111.4S930S930-V932 PolarHBondContact O-N 2.91Å; S930-V932 VanDerWaalsContact O-N 3.14Å; S930-V932 WeakPolarHBondContact OG-CB 3.26Å; S930-V932 PolarHBondContact OG-N 2.95Å
933A84.2Confident87.9Confident63 Ų6353.7 Ų53.752%0.52128%0.278SS..THydrogen-bonded Turntrans-83.1-36.1179.300000112.1S930S930-A933 PolarHBondContact O-N 3.49Å
934M83.1Confident88.1Confident39 Ų3958 Ų5819%0.19230%0.301CS..SBendtrans-122.988.5177.2-160.7179.9-69.700109.2Q929 S930 L931 V938Q929-M934 HydrophobicContact CB-CB 4.28Å; Q929-M934 HydrophobicContact CB-CE 4.24Å; Q929-M934 HydrophobicContact CG-CE 4.06Å; S930-M934 PolarHBondContact O-N 3.37Å; L931-M934 CarbonylContact O-C 3.59Å; M934-V938 HydrophobicContact CG-CB 4.36Å; M934-V938 HydrophobicContact CG-CG1 4.25Å; M934-V938 HydrophobicContact CG-CG2 4.1Å
935P88.1Confident88.4Confident27 Ų2758.2 Ų58.218%0.17530%0.303CS..  trans-64.4157.3-175.3-22.832.7000113.8L931 W937 V938L931-P935 WeakPolarHBondContact O-CA 3.27Å; P935-W937 HydrophobicContact CB-CD2 3.58Å; P935-W937 HydrophobicContact CB-CE3 3.99Å; P935-W937 HydrophobicContact CB-CG 4.2Å; P935-W937 HydrophobicContact CB-CH2 3.73Å; P935-W937 HydrophobicContact CB-CZ2 3.28Å; P935-W937 HydrophobicContact CB-CZ3 4.06Å; P935-W937 HydrophobicContact CG-CH2 4.33Å; P935-W937 HydrophobicContact CG-CZ2 3.61Å; P935-W937 PolarHBondContact O-N 2.76Å; P935-W937 VanDerWaalsContact O-N 3.12Å; P935-V938 VanDerWaalsContact O-CB 3.27Å; P935-V938 WeakPolarHBondContact O-CB 3.44Å; P935-V938 WeakPolarHBondContact O-CG2 3.43Å; P935-V938 PolarHBondContact O-N 3.32Å
936P87.3Confident88.7Confident37 Ų3759.1 Ų59.124%0.2431%0.307CS..G310 helixtrans-53.2-35.4178.4-30.136.7000115.2L922 L931 V938 N939L922-P936 HydrophobicContact CD2-CB 3.82Å; L922-P936 HydrophobicContact CD2-CG 4.18Å; L931-P936 HydrophobicContact CD2-CG 4.19Å; P936-V938 PolarHBondContact O-N 3.22Å; P936-N939 PolarHBondContact O-N 3.32Å
937W88.6Confident89.3Confident189 Ų18963.3 Ų63.372%0.71633%0.327SS*.G310 helixtrans-74.5-1.9-177.752.979.8000114.2P935 N939P935-W937 HydrophobicContact CB-CD2 3.58Å; P935-W937 HydrophobicContact CB-CE3 3.99Å; P935-W937 HydrophobicContact CB-CG 4.2Å; P935-W937 HydrophobicContact CB-CH2 3.73Å; P935-W937 HydrophobicContact CB-CZ2 3.28Å; P935-W937 HydrophobicContact CB-CZ3 4.06Å; P935-W937 HydrophobicContact CG-CH2 4.33Å; P935-W937 HydrophobicContact CG-CZ2 3.61Å; P935-W937 PolarHBondContact O-N 2.76Å; P935-W937 VanDerWaalsContact O-N 3.12Å; W937-N939 PolarHBondContact O-N 3.15Å
938V87.9Confident90.1Very high61 Ų6163.6 Ų63.637%0.3733%0.332SS..G310 helixtrans-61.7-36.1170.6171.70000110.6P820 M934 P935 P936P820-V938 HydrophobicContact CG-CG1 3.46Å; P820-V938 VanDerWaalsContact CG-CG1 3.46Å; M934-V938 HydrophobicContact CG-CB 4.36Å; M934-V938 HydrophobicContact CG-CG1 4.25Å; M934-V938 HydrophobicContact CG-CG2 4.1Å; P935-V938 VanDerWaalsContact O-CB 3.27Å; P935-V938 WeakPolarHBondContact O-CB 3.44Å; P935-V938 WeakPolarHBondContact O-CG2 3.43Å; P935-V938 PolarHBondContact O-N 3.32Å; P936-V938 PolarHBondContact O-N 3.22Å
939N91.3Very high90.8Very high4 Ų462.5 Ų62.52%0.02133%0.327CS..  trans-114.592.6172.8-172.2-9.5000110.4A815 N819 L925 P936 W937 W941 L942 V943A815-N939 PolarHBondContact O-ND2 3.36Å; N819-N939 PolarHBondContact OD1-ND2 3.43Å; L925-N939 HydrophobicContact CD2-CB 3.79Å; P936-N939 PolarHBondContact O-N 3.32Å; W937-N939 PolarHBondContact O-N 3.15Å; N939-W941 PolarHBondContact O-N 2.92Å; N939-W941 WeakPolarHBondContact OD1-CB 3.37Å; N939-W941 PolarHBondContact OD1-N 2.73Å; N939-W941 VanDerWaalsContact OD1-N 3.1Å; N939-L942 HydrophobicContact CB-CB 3.99Å; N939-L942 WeakPolarHBondContact O-CB 3.41Å; N939-L942 PolarHBondContact O-N 2.78Å; N939-L942 VanDerWaalsContact O-N 3.12Å; N939-L942 PolarHBondContact OD1-N 3.01Å; N939-V943 PolarHBondContact O-N 3.4Å
940I93Very high91.4Very high124 Ų12459.6 Ų59.664%0.63631%0.314SS*.Hα-helixtrans-61.3-32178.1-63174000111.4L942 V943 L944I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 3.1Å; I940-V943 PolarHBondContact O-N 2.86Å; I940-L944 PolarHBondContact O-N 2.61Å
941W93.5Very high91.9Very high152 Ų15262.1 Ų62.158%0.57633%0.331SS*.Hα-helixtrans-65.4-34.5177.4-61.3104.9000112A815 F818 N939 L944 A945A815-W941 HydrophobicContact CB-CB 4.34Å; F818-W941 HydrophobicContact CB-CB 4.47Å; F818-W941 HydrophobicContact CB-CG 4.44Å; F818-W941 HydrophobicContact CD2-CB 4.45Å; F818-W941 HydrophobicContact CD2-CG 4.48Å; F818-W941 HydrophobicContact CG-CG 4.36Å; N939-W941 PolarHBondContact O-N 2.92Å; N939-W941 WeakPolarHBondContact OD1-CB 3.37Å; N939-W941 PolarHBondContact OD1-N 2.73Å; N939-W941 VanDerWaalsContact OD1-N 3.1Å; W941-L944 HydrophobicContact CE3-CD2 4.27Å; W941-L944 HydrophobicContact CZ3-CD2 4.42Å; W941-L944 PolarHBondContact O-N 3.48Å; W941-A945 VanDerWaalsContact O-CB 3.28Å; W941-A945 WeakPolarHBondContact O-CB 3.44Å; W941-A945 PolarHBondContact O-N 3.21Å
942L94.7Very high92.2Very high0 Ų063 Ų630%034%0.336CS..Hα-helixtrans-65.8-46.1175.5-177.163.4000111.3P812 A815 L816 A921 L922 L925 N939 I940 L944 A945 M946P812-L942 HydrophobicContact CB-CD1 4.01Å; A815-L942 HydrophobicContact CB-CB 4.26Å; A815-L942 HydrophobicContact CB-CD1 4.13Å; L816-L942 HydrophobicContact CD2-CD1 4.2Å; L816-L942 HydrophobicContact CD2-CD2 3.99Å; L816-L942 HydrophobicContact CG-CD1 4.18Å; A921-L942 HydrophobicContact CB-CD1 4.16Å; L922-L942 HydrophobicContact CD2-CD2 4.32Å; L925-L942 HydrophobicContact CD1-CD2 3.74Å; L925-L942 HydrophobicContact CD2-CD2 4.36Å; L925-L942 HydrophobicContact CG-CD2 3.69Å; N939-L942 HydrophobicContact CB-CB 3.99Å; N939-L942 WeakPolarHBondContact O-CB 3.41Å; N939-L942 PolarHBondContact O-N 2.78Å; N939-L942 VanDerWaalsContact O-N 3.12Å; N939-L942 PolarHBondContact OD1-N 3.01Å; I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 3.1Å; L942-L944 VanDerWaalsContact C-N 3.31Å; L942-L944 PolarHBondContact O-N 3.33Å; L942-A945 PolarHBondContact O-N 3.22Å; L942-M946 HydrophobicContact CG-SD 4.18Å; L942-M946 VanDerWaalsContact O-CG 3.27Å; L942-M946 WeakPolarHBondContact O-CG 3.47Å; L942-M946 PolarHBondContact O-N 2.95Å
943V94.3Very high92.7Very high53 Ų5356.9 Ų56.932%0.32130%0.299SS..Hα-helixtrans-60.6-43.4176.9-179.90000110.8N939 I940 M946 I947N939-V943 PolarHBondContact O-N 3.4Å; I940-V943 PolarHBondContact O-N 2.86Å; V943-M946 PolarHBondContact O-N 3.1Å; V943-I947 HydrophobicContact CG1-CD1 4.11Å; V943-I947 VanDerWaalsContact O-CG1 3.31Å; V943-I947 WeakPolarHBondContact O-CG1 3.33Å; V943-I947 PolarHBondContact O-N 2.81Å; V943-I947 VanDerWaalsContact O-N 3.07Å
944L95.5Very high93.2Very high93 Ų9358 Ų5849%0.48729%0.292SS..Hα-helixtrans-61.6-46.9175.6-169.994.7000111.3I940 W941 L942 M946 I947 V948I940-L944 PolarHBondContact O-N 2.61Å; W941-L944 HydrophobicContact CE3-CD2 4.27Å; W941-L944 HydrophobicContact CZ3-CD2 4.42Å; W941-L944 PolarHBondContact O-N 3.48Å; L942-L944 VanDerWaalsContact C-N 3.31Å; L942-L944 PolarHBondContact O-N 3.33Å; L944-M946 VanDerWaalsContact C-N 3.33Å; L944-M946 PolarHBondContact O-N 2.94Å; L944-I947 PolarHBondContact O-N 2.96Å; L944-V948 WeakPolarHBondContact O-CG2 3.43Å; L944-V948 PolarHBondContact O-N 2.84Å
945A95.6Very high93.8Very high11 Ų1160.1 Ų60.19%0.09130%0.304CS..Hα-helixtrans-60.2-43.1179.200000111.6L811 A815 W941 L942 I947 V948 S949L811-A945 HydrophobicContact CB-CB 4.36Å; A815-A945 HydrophobicContact CB-CB 3.67Å; W941-A945 VanDerWaalsContact O-CB 3.28Å; W941-A945 WeakPolarHBondContact O-CB 3.44Å; W941-A945 PolarHBondContact O-N 3.21Å; L942-A945 PolarHBondContact O-N 3.22Å; A945-I947 PolarHBondContact O-N 3.12Å; A945-V948 PolarHBondContact O-N 3.42Å; A945-S949 WeakPolarHBondContact O-CB 3.06Å; A945-S949 PolarHBondContact O-N 3.3Å; A945-S949 PolarHBondContact O-OG 2.77Å
946M95.2Very high94.1Very high28 Ų2858.9 Ų58.914%0.13830%0.295CS..Hα-helixtrans-61.7-41.8175.4-68.2168.264.100112.5M918 L922 L942 V943 L944 V948 S949 M950M918-M946 HydrophobicContact CB-CE 4.06Å; M918-M946 VanDerWaalsContact O-CE 3.29Å; M918-M946 WeakPolarHBondContact O-CE 3.22Å; M918-M946 HydrophobicContact SD-CB 4Å; M918-M946 HydrophobicContact SD-CG 3.92Å; L922-M946 HydrophobicContact CD1-CE 3.93Å; L922-M946 HydrophobicContact CD2-CE 3.99Å; L922-M946 HydrophobicContact CD2-SD 3.56Å; L922-M946 VanDerWaalsContact CD2-SD 3.56Å; L922-M946 HydrophobicContact CG-CE 3.73Å; L922-M946 HydrophobicContact CG-SD 3.84Å; L942-M946 HydrophobicContact CG-SD 4.18Å; L942-M946 VanDerWaalsContact O-CG 3.27Å; L942-M946 WeakPolarHBondContact O-CG 3.47Å; L942-M946 PolarHBondContact O-N 2.95Å; V943-M946 PolarHBondContact O-N 3.1Å; L944-M946 VanDerWaalsContact C-N 3.33Å; L944-M946 PolarHBondContact O-N 2.94Å; M946-V948 VanDerWaalsContact C-N 3.33Å; M946-S949 PolarHBondContact O-N 3.33Å; M946-M950 WeakPolarHBondContact O-CB 3.2Å; M946-M950 WeakPolarHBondContact O-CG 3.36Å; M946-M950 PolarHBondContact O-N 2.92Å
947I96.1Very high94.4Very high103 Ų10357.2 Ų57.253%0.52829%0.285SS..Hα-helixtrans-62.5-43.4176.2-69.1165.5000110.4V943 L944 A945 S951V943-I947 HydrophobicContact CG1-CD1 4.11Å; V943-I947 VanDerWaalsContact O-CG1 3.31Å; V943-I947 WeakPolarHBondContact O-CG1 3.33Å; V943-I947 PolarHBondContact O-N 2.81Å; V943-I947 VanDerWaalsContact O-N 3.07Å; L944-I947 PolarHBondContact O-N 2.96Å; A945-I947 PolarHBondContact O-N 3.12Å; I947-S951 WeakPolarHBondContact O-CB 3.41Å; I947-S951 PolarHBondContact O-N 3.37Å; I947-S951 PolarHBondContact O-OG 3.41Å
948V96.9Very high94.6Very high61 Ų6154.3 Ų54.337%0.3728%0.279SS..Hα-helixtrans-66-46.3177.9175.90000110.9L811 L944 A945 M946 M950 S951 L952L811-V948 HydrophobicContact CD1-CB 4.35Å; L811-V948 HydrophobicContact CD1-CG1 3.71Å; L944-V948 WeakPolarHBondContact O-CG2 3.43Å; L944-V948 PolarHBondContact O-N 2.84Å; A945-V948 PolarHBondContact O-N 3.42Å; M946-V948 VanDerWaalsContact C-N 3.33Å; V948-M950 PolarHBondContact O-N 2.75Å; V948-S951 WeakPolarHBondContact O-CB 3.21Å; V948-S951 PolarHBondContact O-N 3.06Å; V948-S951 VanDerWaalsContact O-N 3.14Å; V948-L952 HydrophobicContact CG1-CD1 4.04Å; V948-L952 HydrophobicContact CG1-CG 4.38Å; V948-L952 WeakPolarHBondContact O-CG 3.47Å; V948-L952 PolarHBondContact O-N 2.89Å
949S96.2Very high94.9Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-58.8-46.1176.6-69.70000111.8T808 P812 A945 M946 S951 L952 H953T808-S949 PolarHBondContact O-OG 3Å; P812-S949 WeakPolarHBondContact CD-OG 3.22Å; A945-S949 WeakPolarHBondContact O-CB 3.06Å; A945-S949 PolarHBondContact O-N 3.3Å; A945-S949 PolarHBondContact O-OG 2.77Å; M946-S949 PolarHBondContact O-N 3.33Å; S949-S951 VanDerWaalsContact C-N 3.34Å; S949-S951 PolarHBondContact O-N 3.1Å; S949-L952 PolarHBondContact O-N 3.12Å; S949-H953 PolarHBondContact O-N 2.68Å
950M96Very high94.8Very high37 Ų3760.2 Ų60.218%0.18231%0.306CS..Hα-helixtrans-64-38.4174.9-74-57.9-56.300112.4V914 L915 M918 M946 V948 H953 F954 W976V914-M950 HydrophobicContact CG1-SD 3.9Å; L915-M950 HydrophobicContact CD1-SD 4.48Å; M918-M950 HydrophobicContact CG-CG 4.1Å; M918-M950 HydrophobicContact CG-SD 3.93Å; M946-M950 WeakPolarHBondContact O-CB 3.2Å; M946-M950 WeakPolarHBondContact O-CG 3.36Å; M946-M950 PolarHBondContact O-N 2.92Å; V948-M950 PolarHBondContact O-N 2.75Å; M950-H953 WeakPolarHBondContact O-CB 3.48Å; M950-H953 PolarHBondContact O-N 2.9Å; M950-F954 HydrophobicContact CE-CE2 3.95Å; M950-F954 HydrophobicContact CE-CZ 4.34Å; M950-F954 WeakPolarHBondContact O-CD2 3.49Å; M950-F954 PolarHBondContact O-N 3.38Å; M950-W976 HydrophobicContact CE-CH2 4.17Å; M950-W976 HydrophobicContact CE-CZ3 4.46Å
951S96.5Very high94.6Very high68 Ų6861.4 Ų61.448%0.47631%0.307SS..Hα-helixtrans-65.4-39.3176.8-57.70000111.8I947 V948 S949 H953 F954 L955I947-S951 WeakPolarHBondContact O-CB 3.41Å; I947-S951 PolarHBondContact O-N 3.37Å; I947-S951 PolarHBondContact O-OG 3.41Å; V948-S951 WeakPolarHBondContact O-CB 3.21Å; V948-S951 PolarHBondContact O-N 3.06Å; V948-S951 VanDerWaalsContact O-N 3.14Å; S949-S951 VanDerWaalsContact C-N 3.34Å; S949-S951 PolarHBondContact O-N 3.1Å; S951-H953 VanDerWaalsContact C-N 3.34Å; S951-F954 PolarHBondContact O-N 3.2Å; S951-L955 WeakPolarHBondContact O-CB 3.29Å; S951-L955 PolarHBondContact O-N 3.12Å
952L96Very high94.4Very high44 Ų4456.1 Ų56.123%0.2329%0.29CS..Hα-helixtrans-66.6-36.4173.7-71.7172000111.6V807 L811 V948 S949 L955 I956V807-L952 HydrophobicContact CG1-CD1 3.76Å; L811-L952 HydrophobicContact CD1-CD1 3.85Å; V948-L952 HydrophobicContact CG1-CD1 4.04Å; V948-L952 HydrophobicContact CG1-CG 4.38Å; V948-L952 WeakPolarHBondContact O-CG 3.47Å; V948-L952 PolarHBondContact O-N 2.89Å; S949-L952 PolarHBondContact O-N 3.12Å; L952-L955 HydrophobicContact CD2-CD2 4.18Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 2.76Å; L952-I956 PolarHBondContact O-N 3.44Å
953H96.3Very high94.2Very high1 Ų156.9 Ų56.91%0.00530%0.295CS..Hα-helixtrans-62.3-44.9172.7-170.761.9000111.8S911 V914 S949 M950 S951 L955 I956 L957 W976S911-H953 PolarHBondContact OG-NE2 2.93Å; S911-H953 VanDerWaalsContact OG-NE2 3.07Å; V914-H953 HydrophobicContact CG1-CB 4.17Å; S949-H953 PolarHBondContact O-N 2.68Å; M950-H953 WeakPolarHBondContact O-CB 3.48Å; M950-H953 PolarHBondContact O-N 2.9Å; S951-H953 VanDerWaalsContact C-N 3.34Å; H953-L955 VanDerWaalsContact C-N 3.29Å; H953-L955 PolarHBondContact O-N 2.79Å; H953-I956 WeakPolarHBondContact O-CG1 3.17Å; H953-I956 PolarHBondContact O-N 3.06Å; H953-L957 WeakPolarHBondContact O-CG 2.92Å; H953-L957 PolarHBondContact O-N 3.2Å; H953-W976 AromaticContact CD2-CH2 3.93Å
954F95.6Very high93.8Very high85 Ų8561.1 Ų61.137%0.37331%0.309SS..Hα-helixtrans-63.4-35.5172.5-73.4-66.3000112.3M950 S951 L957 E958 W976M950-F954 HydrophobicContact CE-CE2 3.95Å; M950-F954 HydrophobicContact CE-CZ 4.34Å; M950-F954 WeakPolarHBondContact O-CD2 3.49Å; M950-F954 PolarHBondContact O-N 3.38Å; S951-F954 PolarHBondContact O-N 3.2Å; F954-L957 PolarHBondContact O-N 3.12Å; F954-E958 WeakPolarHBondContact O-CB 3.31Å; F954-E958 WeakPolarHBondContact O-CG 3.18Å; F954-E958 PolarHBondContact O-N 3.45Å; F954-W976 HydrophobicContact CD1-CZ2 4.26Å; F954-W976 AromaticContact CE1-CE2 3.77Å; F954-W976 HydrophobicContact CE1-CH2 4.22Å; F954-W976 AromaticContact CE1-CZ2 3.42Å; F954-W976 HydrophobicContact CE1-CZ2 3.42Å; F954-W976 VanDerWaalsContact CE1-CZ2 3.42Å; F954-W976 AromaticContact CE1-NE1 3.94Å; F954-W976 HydrophobicContact CZ-CH2 4.13Å; F954-W976 AromaticContact CZ-CZ2 3.76Å; F954-W976 HydrophobicContact CZ-CZ2 3.76Å
955L95.1Very high93.4Very high84 Ų8458.9 Ų58.944%0.4430%0.299SS..Hα-helixtrans-61.7-45.1177.5-174.372.7000112.1S951 L952 H953 L957 V959 L962S951-L955 WeakPolarHBondContact O-CB 3.29Å; S951-L955 PolarHBondContact O-N 3.12Å; L952-L955 HydrophobicContact CD2-CD2 4.18Å; L952-L955 WeakPolarHBondContact O-CB 3.42Å; L952-L955 PolarHBondContact O-N 2.76Å; H953-L955 VanDerWaalsContact C-N 3.29Å; H953-L955 PolarHBondContact O-N 2.79Å; L955-L957 VanDerWaalsContact C-N 3.26Å; L955-L957 PolarHBondContact O-N 3.45Å; L955-V959 HydrophobicContact CD1-CG2 3.66Å; L955-V959 HydrophobicContact CG-CG2 4.15Å; L955-V959 WeakPolarHBondContact O-CB 3.18Å; L955-V959 VanDerWaalsContact O-CG2 3.27Å; L955-V959 WeakPolarHBondContact O-CG2 3.44Å; L955-V959 PolarHBondContact O-N 3.22Å; L955-V959 VanDerWaalsContact O-N 3.09Å; L955-L962 HydrophobicContact CG-CD1 4.3Å
956I94.4Very high93.1Very high1 Ų159 Ų591%0.00530%0.298CS..Hα-helixtrans-68.9-25.317961.2166.3000112.6W803 L910 L952 H953 L962 S963 F966 I968W803-I956 HydrophobicContact CZ2-CG2 3.93Å; L910-I956 HydrophobicContact CD2-CD1 4.34Å; L952-I956 PolarHBondContact O-N 3.44Å; H953-I956 WeakPolarHBondContact O-CG1 3.17Å; H953-I956 PolarHBondContact O-N 3.06Å; I956-L962 HydrophobicContact CB-CB 4.36Å; I956-L962 HydrophobicContact CG2-CB 4.43Å; I956-L962 HydrophobicContact CG2-CD1 4.15Å; I956-S963 WeakPolarHBondContact O-CA 3.39Å; I956-S963 PolarHBondContact O-N 2.82Å; I956-F966 HydrophobicContact CB-CD2 4.18Å; I956-F966 HydrophobicContact CB-CE2 4.41Å; I956-F966 HydrophobicContact CG2-CD2 4.18Å; I956-F966 HydrophobicContact CG2-CE2 3.9Å; I956-I968 HydrophobicContact CB-CD1 4.09Å; I956-I968 HydrophobicContact CD1-CD1 3.72Å; I956-I968 HydrophobicContact CG1-CD1 3.83Å
957L93.9Very high92.8Very high2 Ų261.9 Ų61.91%0.0131%0.311CS..Hα-helixtrans-77.2-42.9176.4-69.7171.6000112.7T907 H953 F954 L955 I968 P970 W976T907-L957 HydrophobicContact CG2-CD2 3.38Å; H953-L957 WeakPolarHBondContact O-CG 2.92Å; H953-L957 PolarHBondContact O-N 3.2Å; F954-L957 PolarHBondContact O-N 3.12Å; L955-L957 VanDerWaalsContact C-N 3.26Å; L955-L957 PolarHBondContact O-N 3.45Å; L957-I968 HydrophobicContact CD2-CB 4.15Å; L957-I968 HydrophobicContact CD2-CD1 3.89Å; L957-I968 HydrophobicContact CD2-CG1 4.19Å; L957-I968 HydrophobicContact CG-CD1 4.49Å; L957-P970 WeakPolarHBondContact O-CD 3.44Å; L957-P970 WeakPolarHBondContact O-CG 3.44Å; L957-W976 HydrophobicContact CD1-CZ2 4.15Å
958E92.8Very high92.6Very high128 Ų12857.1 Ų57.160%0.59829%0.287SS*.Hα-helixtrans-87.9-26.1-171.5-64.2-64.6154.600113.3F954 E960F954-E958 WeakPolarHBondContact O-CB 3.31Å; F954-E958 WeakPolarHBondContact O-CG 3.18Å; F954-E958 PolarHBondContact O-N 3.45Å; E958-E960 PolarHBondContact O-N 2.96Å
959V93.7Very high92.4Very high58 Ų5856 Ų5635%0.35228%0.28SS..SBendtrans-85.2112.1180177.80000110.2L955 F961 L962 S963L955-V959 HydrophobicContact CD1-CG2 3.66Å; L955-V959 HydrophobicContact CG-CG2 4.15Å; L955-V959 WeakPolarHBondContact O-CB 3.18Å; L955-V959 VanDerWaalsContact O-CG2 3.27Å; L955-V959 WeakPolarHBondContact O-CG2 3.44Å; L955-V959 PolarHBondContact O-N 3.22Å; L955-V959 VanDerWaalsContact O-N 3.09Å; V959-F961 HydrophobicContact CG1-CB 4.5Å; V959-F961 PolarHBondContact O-N 3.29Å; V959-F961 VanDerWaalsContact O-N 3.09Å; V959-L962 HydrophobicContact CB-CB 4.31Å; V959-L962 HydrophobicContact CB-CD1 4.01Å; V959-L962 HydrophobicContact CB-CG 4.22Å; V959-L962 HydrophobicContact CG1-CB 4.45Å; V959-L962 HydrophobicContact CG1-CD1 4.15Å; V959-L962 HydrophobicContact CG1-CG 4.04Å; V959-L962 HydrophobicContact CG2-CD1 4.48Å; V959-L962 PolarHBondContact O-N 3.41Å; V959-S963 PolarHBondContact O-N 3.05Å
960E89.3Confident92.3Very high131 Ų13158.8 Ų58.861%0.61230%0.298SS*.Hα-helixtrans-54.8-34.5-172.3-160.5-169.9155.100114.6E958 S963 K964E958-E960 PolarHBondContact O-N 2.96Å; E960-S963 WeakPolarHBondContact CA-OG 3.4Å; E960-S963 PolarHBondContact O-OG 2.8Å; E960-S963 VanDerWaalsContact O-OG 3.1Å; E960-K964 WeakPolarHBondContact O-CG 3.2Å; E960-K964 PolarHBondContact O-N 3.08Å; E960-K964 IonicContact OE1-NZ 3.74Å; E960-K964 PolarHBondContact OE1-NZ 2.99Å
961F89.8Confident92.2Very high150 Ų15058 Ų5866%0.65829%0.294SS*.Hα-helixtrans-67-47176173-102.9000111.8V959 V965V959-F961 HydrophobicContact CG1-CB 4.5Å; V959-F961 PolarHBondContact O-N 3.29Å; V959-F961 VanDerWaalsContact O-N 3.09Å; F961-V965 HydrophobicContact CE1-CG2 4.22Å; F961-V965 HydrophobicContact CE2-CG2 4.22Å; F961-V965 HydrophobicContact CZ-CG2 3.99Å; F961-V965 WeakPolarHBondContact O-CG2 3.48Å; F961-V965 PolarHBondContact O-N 3.4Å
962L89.1Confident92.1Very high41 Ų4156.8 Ų56.822%0.21529%0.286CS..Hα-helixtrans-68.3-41.2-179.1-63.4175.7000110.4L955 I956 V959 K964 V965 F966L955-L962 HydrophobicContact CG-CD1 4.3Å; I956-L962 HydrophobicContact CB-CB 4.36Å; I956-L962 HydrophobicContact CG2-CB 4.43Å; I956-L962 HydrophobicContact CG2-CD1 4.15Å; V959-L962 HydrophobicContact CB-CB 4.31Å; V959-L962 HydrophobicContact CB-CD1 4.01Å; V959-L962 HydrophobicContact CB-CG 4.22Å; V959-L962 HydrophobicContact CG1-CB 4.45Å; V959-L962 HydrophobicContact CG1-CD1 4.15Å; V959-L962 HydrophobicContact CG1-CG 4.04Å; V959-L962 HydrophobicContact CG2-CD1 4.48Å; V959-L962 PolarHBondContact O-N 3.41Å; L962-K964 VanDerWaalsContact C-N 3.29Å; L962-K964 PolarHBondContact O-N 3.02Å; L962-V965 PolarHBondContact O-N 3.04Å; L962-V965 VanDerWaalsContact O-N 3.11Å; L962-F966 HydrophobicContact CB-CD2 4.35Å; L962-F966 HydrophobicContact CD2-CE2 4.42Å; L962-F966 WeakPolarHBondContact O-CD2 3.28Å; L962-F966 PolarHBondContact O-N 2.85Å
963S89.1Confident91.9Very high16 Ų1662.3 Ų62.311%0.11232%0.315CS..Hα-helixtrans-62.6-35.1-179.272.10000112.6I956 V959 E960 Q967 I968I956-S963 WeakPolarHBondContact O-CA 3.39Å; I956-S963 PolarHBondContact O-N 2.82Å; V959-S963 PolarHBondContact O-N 3.05Å; E960-S963 WeakPolarHBondContact CA-OG 3.4Å; E960-S963 PolarHBondContact O-OG 2.8Å; E960-S963 VanDerWaalsContact O-OG 3.1Å; S963-Q967 WeakPolarHBondContact O-CA 3.36Å; S963-Q967 PolarHBondContact O-N 3.09Å; S963-I968 WeakPolarHBondContact CB-O 3.36Å; S963-I968 PolarHBondContact O-N 3.41Å
964K87.3Confident91.8Very high141 Ų14167.4 Ų67.461%0.61334%0.339SS*.Hα-helixtrans-67.2-45.8170.7-74.8176.8-172163.40112.8E960 L962 F966 Q967E960-K964 WeakPolarHBondContact O-CG 3.2Å; E960-K964 PolarHBondContact O-N 3.08Å; E960-K964 IonicContact OE1-NZ 3.74Å; E960-K964 PolarHBondContact OE1-NZ 2.99Å; L962-K964 VanDerWaalsContact C-N 3.29Å; L962-K964 PolarHBondContact O-N 3.02Å; K964-F966 VanDerWaalsContact C-N 3.3Å; K964-F966 PolarHBondContact O-N 3.28Å; K964-Q967 PolarHBondContact O-N 3.31Å
965V87Confident91.7Very high46 Ų4663.6 Ų63.628%0.27932%0.322SS..Hα-helixtrans-60.6-41.1179.5171.80000111.5V89 F961 L962V89-V965 HydrophobicContact CG1-CG1 4.22Å; F961-V965 HydrophobicContact CE1-CG2 4.22Å; F961-V965 HydrophobicContact CE2-CG2 4.22Å; F961-V965 HydrophobicContact CZ-CG2 3.99Å; F961-V965 WeakPolarHBondContact O-CG2 3.48Å; F961-V965 PolarHBondContact O-N 3.4Å; L962-V965 PolarHBondContact O-N 3.04Å; L962-V965 VanDerWaalsContact O-N 3.11Å
966F89Confident91.8Very high15 Ų1561.4 Ų61.47%0.06631%0.308CS..THydrogen-bonded Turntrans-89.3-1.1180-70.2-71.1000114.1V799 Q800 W803 I956 L962 K964 I968V799-F966 HydrophobicContact CG1-CD1 3.83Å; V799-F966 HydrophobicContact CG1-CE1 3.79Å; V799-F966 WeakPolarHBondContact O-CE1 3.25Å; Q800-F966 HydrophobicContact CG-CB 4.5Å; Q800-F966 HydrophobicContact CG-CD1 4.4Å; Q800-F966 PolarHBondContact NE2-O 3.48Å; W803-F966 HydrophobicContact CB-CE1 3.6Å; W803-F966 HydrophobicContact CB-CZ 4.01Å; W803-F966 HydrophobicContact CD2-CE1 4.31Å; W803-F966 AromaticContact CD2-CZ 3.79Å; W803-F966 HydrophobicContact CD2-CZ 3.79Å; W803-F966 HydrophobicContact CE3-CE1 4.45Å; W803-F966 AromaticContact CE3-CZ 3.7Å; W803-F966 HydrophobicContact CE3-CZ 3.7Å; W803-F966 AromaticContact CG-CE1 3.97Å; W803-F966 HydrophobicContact CG-CE1 3.97Å; W803-F966 AromaticContact CG-CZ 3.94Å; W803-F966 HydrophobicContact CG-CZ 3.94Å; W803-F966 HydrophobicContact CZ3-CZ 4.44Å; I956-F966 HydrophobicContact CB-CD2 4.18Å; I956-F966 HydrophobicContact CB-CE2 4.41Å; I956-F966 HydrophobicContact CG2-CD2 4.18Å; I956-F966 HydrophobicContact CG2-CE2 3.9Å; L962-F966 HydrophobicContact CB-CD2 4.35Å; L962-F966 HydrophobicContact CD2-CE2 4.42Å; L962-F966 WeakPolarHBondContact O-CD2 3.28Å; L962-F966 PolarHBondContact O-N 2.85Å; K964-F966 VanDerWaalsContact C-N 3.3Å; K964-F966 PolarHBondContact O-N 3.28Å; F966-I968 HydrophobicContact CB-CD1 3.7Å; F966-I968 HydrophobicContact CB-CG1 3.82Å; F966-I968 HydrophobicContact CG-CD1 4.46Å; F966-I968 PolarHBondContact O-N 2.83Å
967Q88.7Confident91.8Very high87 Ų8767.2 Ų67.241%0.40733%0.334SS..THydrogen-bonded Turntrans51.949.1-174.6-57.9-174.7-1.200113.6I797 P903 M906 S963 K964I797-Q967 HydrophobicContact CD1-CB 4.12Å; I797-Q967 HydrophobicContact CD1-CG 4.12Å; P903-Q967 WeakPolarHBondContact CB-O 3.45Å; M906-Q967 HydrophobicContact CE-CB 3.95Å; S963-Q967 WeakPolarHBondContact O-CA 3.36Å; S963-Q967 PolarHBondContact O-N 3.09Å; K964-Q967 PolarHBondContact O-N 3.31Å
968I92.3Very high91.9Very high4 Ų469.3 Ų69.32%0.02134%0.344CS..  trans-128.3163.7-178.456.3-177.2000112.1T907 L910 I956 L957 S963 F966T907-I968 HydrophobicContact CG2-CB 4.31Å; T907-I968 HydrophobicContact CG2-CG2 4.5Å; T907-I968 VanDerWaalsContact OG1-CA 3.32Å; T907-I968 WeakPolarHBondContact OG1-CA 3.46Å; T907-I968 WeakPolarHBondContact OG1-CB 3.43Å; L910-I968 HydrophobicContact CD2-CD1 4.3Å; L910-I968 HydrophobicContact CD2-CG2 3.92Å; I956-I968 HydrophobicContact CB-CD1 4.09Å; I956-I968 HydrophobicContact CD1-CD1 3.72Å; I956-I968 HydrophobicContact CG1-CD1 3.83Å; L957-I968 HydrophobicContact CD2-CB 4.15Å; L957-I968 HydrophobicContact CD2-CD1 3.89Å; L957-I968 HydrophobicContact CD2-CG1 4.19Å; L957-I968 HydrophobicContact CG-CD1 4.49Å; S963-I968 WeakPolarHBondContact CB-O 3.36Å; S963-I968 PolarHBondContact O-N 3.41Å; F966-I968 HydrophobicContact CB-CD1 3.7Å; F966-I968 HydrophobicContact CB-CG1 3.82Å; F966-I968 HydrophobicContact CG-CD1 4.46Å; F966-I968 PolarHBondContact O-N 2.83Å
969T93.2Very high92.1Very high37 Ų3763.2 Ų63.223%0.22732%0.315CS..  trans-142.4152.4178.761.20000112.5P903 T907 L971P903-T969 HydrophobicContact CB-CG2 3.83Å; P903-T969 HydrophobicContact CG-CG2 3.3Å; T907-T969 VanDerWaalsContact CG2-O 3.31Å; T907-T969 WeakPolarHBondContact CG2-O 3.2Å; T907-T969 PolarHBondContact OG1-N 2.97Å; T969-L971 PolarHBondContact O-N 2.97Å
970P94.1Very high92.2Very high59 Ų5964.5 Ų64.538%0.38332%0.319SS..PPolyproline II helixtrans-53.2135.3176.4-2633.1000114.1K904 L957K904-P970 PolarHBondContact NZ-O 2.86Å; L957-P970 WeakPolarHBondContact O-CD 3.44Å; L957-P970 WeakPolarHBondContact O-CG 3.44Å
971L93.4Very high92.5Very high19 Ų1964.2 Ų64.210%0.09932%0.316CS..PPolyproline II helixtrans-90.9142.5175.5-64.5180000111.4K904 T907 M908 S911 T969 E975 W976 V979K904-L971 HydrophobicContact CD-CD2 4.38Å; T907-L971 HydrophobicContact CG2-CD1 4.09Å; T907-L971 HydrophobicContact CG2-CD2 3.9Å; T907-L971 HydrophobicContact CG2-CG 3.76Å; M908-L971 HydrophobicContact CG-CD2 4.19Å; M908-L971 HydrophobicContact SD-CD1 3.98Å; M908-L971 HydrophobicContact SD-CD2 3.8Å; S911-L971 WeakPolarHBondContact OG-CD1 3.47Å; T969-L971 PolarHBondContact O-N 2.97Å; L971-E975 HydrophobicContact CB-CB 4.2Å; L971-E975 HydrophobicContact CD2-CB 4.24Å; L971-W976 HydrophobicContact CB-CG 4.43Å; L971-V979 HydrophobicContact CD1-CG2 4.13Å
972S93.7Very high92.8Very high43 Ų4358.4 Ų58.430%0.30129%0.291SS..PPolyproline II helixtrans-74.7164171.266.70000111.8E974 E975 W976S972-E974 VanDerWaalsContact C-N 3.28Å; S972-E974 PolarHBondContact O-N 3.05Å; S972-E975 WeakPolarHBondContact CB-OE2 3.36Å; S972-E975 PolarHBondContact N-OE2 3.47Å; S972-E975 PolarHBondContact O-N 2.94Å; S972-E975 WeakPolarHBondContact OG-CG 3.27Å; S972-E975 PolarHBondContact OG-OE2 3.13Å; S972-W976 PolarHBondContact O-N 3.06Å
973L92.8Very high93.1Very high160 Ų16056.4 Ų56.484%0.83828%0.281SS*.Hα-helixtrans-58.8-36.1177.3-82.3158.2000113.4F977L973-F977 PolarHBondContact O-N 2.63Å
974E93.6Very high93.4Very high109 Ų10957 Ų5751%0.50929%0.287SS..Hα-helixtrans-66.1-40.6177.3-72.1173.4-15900111.6K870 S972 F977 M978K870-E974 IonicContact NZ-OE1 2.74Å; K870-E974 PolarHBondContact NZ-OE1 3.47Å; K870-E974 IonicContact NZ-OE2 3.48Å; K870-E974 PolarHBondContact NZ-OE2 3.48Å; S972-E974 VanDerWaalsContact C-N 3.28Å; S972-E974 PolarHBondContact O-N 3.05Å; E974-F977 PolarHBondContact O-N 3.3Å; E974-M978 PolarHBondContact O-N 3.47Å
975E94.5Very high93.9Very high4 Ų452.6 Ų52.62%0.01927%0.273CS..Hα-helixtrans-67.5-45.8177-73.2158.6161.300110.8Y868 K904 M908 L971 S972 F977 M978 V979Y868-E975 HydrophobicContact CE1-CG 4.23Å; Y868-E975 HydrophobicContact CE2-CG 4.46Å; K904-E975 WeakPolarHBondContact CD-OE1 3.36Å; K904-E975 IonicContact NZ-OE1 2.71Å; K904-E975 PolarHBondContact NZ-OE1 2.98Å; K904-E975 IonicContact NZ-OE2 3.18Å; K904-E975 PolarHBondContact NZ-OE2 2.96Å; M908-E975 HydrophobicContact SD-CB 3.72Å; M908-E975 HydrophobicContact SD-CG 4.12Å; L971-E975 HydrophobicContact CB-CB 4.2Å; L971-E975 HydrophobicContact CD2-CB 4.24Å; S972-E975 WeakPolarHBondContact CB-OE2 3.36Å; S972-E975 PolarHBondContact N-OE2 3.47Å; S972-E975 PolarHBondContact O-N 2.94Å; S972-E975 WeakPolarHBondContact OG-CG 3.27Å; S972-E975 PolarHBondContact OG-OE2 3.13Å; E975-F977 VanDerWaalsContact C-N 3.28Å; E975-F977 PolarHBondContact O-N 3.49Å; E975-M978 WeakPolarHBondContact O-CA 3.27Å; E975-M978 WeakPolarHBondContact O-CB 3.36Å; E975-M978 PolarHBondContact O-N 3.17Å; E975-V979 WeakPolarHBondContact O-CG2 3.37Å; E975-V979 PolarHBondContact O-N 3Å
976W95.4Very high94.2Very high38 Ų3850.4 Ų50.414%0.14426%0.26CS..Hα-helixtrans-58.7-36.8174.3-91.6113.8000113.3M950 H953 F954 L957 L971 S972 M978 V979 I980M950-W976 HydrophobicContact CE-CH2 4.17Å; M950-W976 HydrophobicContact CE-CZ3 4.46Å; H953-W976 AromaticContact CD2-CH2 3.93Å; F954-W976 HydrophobicContact CD1-CZ2 4.26Å; F954-W976 AromaticContact CE1-CE2 3.77Å; F954-W976 HydrophobicContact CE1-CH2 4.22Å; F954-W976 AromaticContact CE1-CZ2 3.42Å; F954-W976 HydrophobicContact CE1-CZ2 3.42Å; F954-W976 VanDerWaalsContact CE1-CZ2 3.42Å; F954-W976 AromaticContact CE1-NE1 3.94Å; F954-W976 HydrophobicContact CZ-CH2 4.13Å; F954-W976 AromaticContact CZ-CZ2 3.76Å; F954-W976 HydrophobicContact CZ-CZ2 3.76Å; L957-W976 HydrophobicContact CD1-CZ2 4.15Å; L971-W976 HydrophobicContact CB-CG 4.43Å; S972-W976 PolarHBondContact O-N 3.06Å; W976-M978 VanDerWaalsContact C-N 3.28Å; W976-M978 PolarHBondContact O-N 3.25Å; W976-V979 HydrophobicContact CE3-CB 4.04Å; W976-V979 HydrophobicContact CE3-CG1 3.95Å; W976-V979 HydrophobicContact CE3-CG2 4.45Å; W976-V979 HydrophobicContact CZ3-CB 4.43Å; W976-V979 HydrophobicContact CZ3-CG1 3.85Å; W976-V979 WeakPolarHBondContact O-CB 3.22Å; W976-V979 PolarHBondContact O-N 3.49Å; W976-I980 WeakPolarHBondContact O-CG1 3.29Å; W976-I980 PolarHBondContact O-N 3.12Å
977F95.9Very high94.5Very high124 Ų12451.7 Ų51.754%0.54427%0.267SS..Hα-helixtrans-64-35.6175.3-173.7-112.9000112.1L973 E974 E975 K981L973-F977 PolarHBondContact O-N 2.63Å; E974-F977 PolarHBondContact O-N 3.3Å; E975-F977 VanDerWaalsContact C-N 3.28Å; E975-F977 PolarHBondContact O-N 3.49Å; F977-K981 HydrophobicContact CD1-CD 4.16Å; F977-K981 HydrophobicContact CE1-CD 3.89Å; F977-K981 VanDerWaalsContact CE1-NZ 3.28Å; F977-K981 HydrophobicContact CZ-CD 4.37Å; F977-K981 VanDerWaalsContact CZ-CE 3.49Å; F977-K981 WeakPolarHBondContact O-CG 3.49Å; F977-K981 PolarHBondContact O-N 2.57Å; F977-K981 VanDerWaalsContact O-N 3.12Å
978M95.2Very high94.7Very high46 Ų4654.6 Ų54.623%0.22728%0.278CS..Hα-helixtrans-69.1-41.5172.9-168.365.4-176.100111.6W863 M908 E974 E975 W976 I980 K981 I982W863-M978 HydrophobicContact CD2-CE 4.3Å; W863-M978 HydrophobicContact CD2-CG 3.87Å; W863-M978 HydrophobicContact CE3-CG 4.03Å; W863-M978 HydrophobicContact CG-CE 4.04Å; W863-M978 HydrophobicContact CH2-CB 3.87Å; W863-M978 HydrophobicContact CH2-CG 3.97Å; W863-M978 HydrophobicContact CZ2-CB 4.08Å; W863-M978 HydrophobicContact CZ2-CG 3.82Å; W863-M978 HydrophobicContact CZ2-SD 4.23Å; W863-M978 HydrophobicContact CZ3-CB 4.16Å; W863-M978 HydrophobicContact CZ3-CG 4.09Å; M908-M978 HydrophobicContact CE-CB 4.3Å; M908-M978 HydrophobicContact CE-CG 4.49Å; E974-M978 PolarHBondContact O-N 3.47Å; E975-M978 WeakPolarHBondContact O-CA 3.27Å; E975-M978 WeakPolarHBondContact O-CB 3.36Å; E975-M978 PolarHBondContact O-N 3.17Å; W976-M978 VanDerWaalsContact C-N 3.28Å; W976-M978 PolarHBondContact O-N 3.25Å; M978-I980 VanDerWaalsContact C-N 3.35Å; M978-I980 PolarHBondContact O-N 2.98Å; M978-K981 PolarHBondContact O-N 3.19Å; M978-I982 HydrophobicContact CE-CD1 3.66Å; M978-I982 HydrophobicContact CE-CG1 3.87Å; M978-I982 HydrophobicContact CG-CD1 4.04Å; M978-I982 HydrophobicContact CG-CG1 4.47Å; M978-I982 WeakPolarHBondContact O-CG1 3.46Å; M978-I982 PolarHBondContact O-N 2.69Å
979V96.6Very high94.8Very high0 Ų057 Ų570%029%0.29CS..Hα-helixtrans-54.1-51.4174.1173.70000110.2M908 S911 V912 L915 L971 E975 W976 K981 I982 S983M908-V979 HydrophobicContact CE-CG2 3.77Å; M908-V979 HydrophobicContact SD-CG2 4.03Å; S911-V979 WeakPolarHBondContact O-CG1 3.49Å; V912-V979 HydrophobicContact CG2-CB 4.2Å; V912-V979 HydrophobicContact CG2-CG1 3.94Å; V912-V979 HydrophobicContact CG2-CG2 4.13Å; L915-V979 HydrophobicContact CB-CG1 4.31Å; L915-V979 HydrophobicContact CD2-CG1 3.89Å; L971-V979 HydrophobicContact CD1-CG2 4.13Å; E975-V979 WeakPolarHBondContact O-CG2 3.37Å; E975-V979 PolarHBondContact O-N 3Å; W976-V979 HydrophobicContact CE3-CB 4.04Å; W976-V979 HydrophobicContact CE3-CG1 3.95Å; W976-V979 HydrophobicContact CE3-CG2 4.45Å; W976-V979 HydrophobicContact CZ3-CB 4.43Å; W976-V979 HydrophobicContact CZ3-CG1 3.85Å; W976-V979 WeakPolarHBondContact O-CB 3.22Å; W976-V979 PolarHBondContact O-N 3.49Å; V979-K981 VanDerWaalsContact C-N 3.35Å; V979-K981 PolarHBondContact O-N 2.76Å; V979-I982 PolarHBondContact O-N 2.72Å; V979-S983 WeakPolarHBondContact O-CB 3.44Å; V979-S983 PolarHBondContact O-N 2.98Å; V979-S983 PolarHBondContact O-OG 3.46Å
980I96.4Very high94.7Very high85 Ų8555.3 Ų55.344%0.43628%0.28SS..Hα-helixtrans-60.7-42.5178.7-65.8167.1000112L915 W976 M978 I982 S983 A984L915-I980 HydrophobicContact CD2-CB 4.32Å; L915-I980 HydrophobicContact CD2-CG1 3.77Å; W976-I980 WeakPolarHBondContact O-CG1 3.29Å; W976-I980 PolarHBondContact O-N 3.12Å; M978-I980 VanDerWaalsContact C-N 3.35Å; M978-I980 PolarHBondContact O-N 2.98Å; I980-I982 VanDerWaalsContact C-N 3.33Å; I980-I982 PolarHBondContact O-N 3.24Å; I980-S983 PolarHBondContact O-N 2.85Å; I980-A984 VanDerWaalsContact O-CB 3.26Å; I980-A984 WeakPolarHBondContact O-CB 3.37Å; I980-A984 PolarHBondContact O-N 3.19Å
981K95.9Very high94.7Very high124 Ų12454.2 Ų54.254%0.53927%0.27SS..Hα-helixtrans-62.5-38.6179.2-85.4-178.9166.9-179.40113F977 M978 V979 P985F977-K981 HydrophobicContact CD1-CD 4.16Å; F977-K981 HydrophobicContact CE1-CD 3.89Å; F977-K981 VanDerWaalsContact CE1-NZ 3.28Å; F977-K981 HydrophobicContact CZ-CD 4.37Å; F977-K981 VanDerWaalsContact CZ-CE 3.49Å; F977-K981 WeakPolarHBondContact O-CG 3.49Å; F977-K981 PolarHBondContact O-N 2.57Å; F977-K981 VanDerWaalsContact O-N 3.12Å; M978-K981 PolarHBondContact O-N 3.19Å; V979-K981 VanDerWaalsContact C-N 3.35Å; V979-K981 PolarHBondContact O-N 2.76Å; K981-P985 VanDerWaalsContact O-CD 3.28Å; K981-P985 WeakPolarHBondContact O-CD 3.45Å
982I95.7Very high94.7Very high28 Ų2858.2 Ų58.214%0.14429%0.29CS..Hα-helixtrans-76.7-35.6177.6-67.8176.4000110.5Y852 A856 A860 V912 M978 V979 I980 P985Y852-I982 PolarHBondContact OH-O 2.96Å; A856-I982 HydrophobicContact CB-CG2 3.6Å; A860-I982 HydrophobicContact CB-CD1 3.93Å; V912-I982 HydrophobicContact CG1-CG2 3.79Å; V912-I982 HydrophobicContact CG2-CB 4.35Å; V912-I982 HydrophobicContact CG2-CG2 4.22Å; M978-I982 HydrophobicContact CE-CD1 3.66Å; M978-I982 HydrophobicContact CE-CG1 3.87Å; M978-I982 HydrophobicContact CG-CD1 4.04Å; M978-I982 HydrophobicContact CG-CG1 4.47Å; M978-I982 WeakPolarHBondContact O-CG1 3.46Å; M978-I982 PolarHBondContact O-N 2.69Å; V979-I982 PolarHBondContact O-N 2.72Å; I980-I982 VanDerWaalsContact C-N 3.33Å; I980-I982 PolarHBondContact O-N 3.24Å; I982-P985 WeakPolarHBondContact O-CD 3.42Å
983S96.4Very high94.6Very high0 Ų057 Ų570%028%0.28CS..Hα-helixtrans-82.7-40.8-174.7-56.60000114V912 V979 I980 V986V912-S983 PolarHBondContact O-OG 3.48Å; V979-S983 WeakPolarHBondContact O-CB 3.44Å; V979-S983 PolarHBondContact O-N 2.98Å; V979-S983 PolarHBondContact O-OG 3.46Å; I980-S983 PolarHBondContact O-N 2.85Å; S983-V986 VanDerWaalsContact O-CG1 3.26Å; S983-V986 WeakPolarHBondContact O-CG1 3.32Å; S983-V986 PolarHBondContact O-N 3.03Å
984A95.1Very high94.4Very high29 Ų2949.4 Ų49.424%0.2424%0.241CC..THydrogen-bonded Turntrans-57.1-33.3-173.200000116.4F919 I980 V986 I987F919-A984 HydrophobicContact CE2-CB 4.16Å; I980-A984 VanDerWaalsContact O-CB 3.26Å; I980-A984 WeakPolarHBondContact O-CB 3.37Å; I980-A984 PolarHBondContact O-N 3.19Å; A984-V986 PolarHBondContact O-N 2.94Å; A984-V986 VanDerWaalsContact O-N 3.1Å; A984-I987 PolarHBondContact O-N 3.48Å
985P96.2Very high94.1Very high47 Ų4748.1 Ų48.131%0.30524%0.237SC..Hα-helixtrans-59.3-20.9179.5-23.933.2000114.8Y852 K981 I982 I987 F988 I989Y852-P985 WeakPolarHBondContact OH-CB 3.36Å; Y852-P985 WeakPolarHBondContact OH-CG 3.46Å; K981-P985 VanDerWaalsContact O-CD 3.28Å; K981-P985 WeakPolarHBondContact O-CD 3.45Å; I982-P985 WeakPolarHBondContact O-CD 3.42Å; P985-I987 PolarHBondContact O-N 2.76Å; P985-F988 PolarHBondContact O-N 3.12Å; P985-I989 WeakPolarHBondContact O-CG1 2.99Å; P985-I989 PolarHBondContact O-N 2.97Å
986V94.6Very high93.9Very high1 Ų150.9 Ų50.91%0.00625%0.251CS..Hα-helixtrans-58.1-33.8178.476.20000112.7I849 Y852 I916 F919 N923 S983 A984 I989 D990I849-V986 HydrophobicContact CG2-CG2 4.02Å; Y852-V986 HydrophobicContact CD1-CB 4.22Å; Y852-V986 HydrophobicContact CD1-CG2 4.22Å; Y852-V986 HydrophobicContact CE1-CB 3.99Å; Y852-V986 HydrophobicContact CE1-CG2 4.49Å; I916-V986 HydrophobicContact CG2-CB 4.35Å; I916-V986 HydrophobicContact CG2-CG1 4.27Å; I916-V986 HydrophobicContact CG2-CG2 4.13Å; F919-V986 HydrophobicContact CB-CG1 3.55Å; F919-V986 HydrophobicContact CD2-CG1 4.24Å; F919-V986 HydrophobicContact CG-CG1 4.4Å; N923-V986 PolarHBondContact ND2-O 3.14Å; S983-V986 VanDerWaalsContact O-CG1 3.26Å; S983-V986 WeakPolarHBondContact O-CG1 3.32Å; S983-V986 PolarHBondContact O-N 3.03Å; A984-V986 PolarHBondContact O-N 2.94Å; A984-V986 VanDerWaalsContact O-N 3.1Å; V986-I989 PolarHBondContact O-N 3.1Å; V986-D990 WeakPolarHBondContact O-CB 3.23Å; V986-D990 PolarHBondContact O-N 2.79Å
987I94Very high93.4Very high42 Ų4249.1 Ų49.122%0.21524%0.244CC..Hα-helixtrans-61.7-48.3175.4-60.5-179.8000109.9F919 L931 A984 P985 D990 E991F919-I987 HydrophobicContact CB-CD1 4.02Å; F919-I987 HydrophobicContact CB-CG1 3.72Å; F919-I987 HydrophobicContact CD1-CD1 3.75Å; F919-I987 HydrophobicContact CD1-CG1 4.42Å; F919-I987 HydrophobicContact CD2-CD1 4.39Å; F919-I987 HydrophobicContact CE1-CD1 4.29Å; F919-I987 HydrophobicContact CG-CD1 3.8Å; F919-I987 HydrophobicContact CG-CG1 4Å; L931-I987 HydrophobicContact CD1-CG2 3.78Å; A984-I987 PolarHBondContact O-N 3.48Å; P985-I987 PolarHBondContact O-N 2.76Å; I987-D990 PolarHBondContact O-N 3.38Å; I987-E991 VanDerWaalsContact O-CB 3.28Å; I987-E991 WeakPolarHBondContact O-CB 3.45Å; I987-E991 PolarHBondContact O-N 2.86Å
988F94Very high92.8Very high148 Ų14847.1 Ų47.165%0.64923%0.233SC*.Hα-helixtrans-69.1-38.7-177.8-64.1-79.4000112.2P985 E991 I992P985-F988 PolarHBondContact O-N 3.12Å; F988-E991 PolarHBondContact O-N 2.95Å; F988-I992 VanDerWaalsContact O-CG1 3.31Å; F988-I992 WeakPolarHBondContact O-CG1 3.33Å; F988-I992 PolarHBondContact O-N 3.24Å; F988-I992 VanDerWaalsContact O-N 3.09Å
989I94.1Very high92.1Very high53 Ų5353.2 Ų53.227%0.27225%0.254SS..Hα-helixtrans-59.5-51.6176.3-67.4166.9000109.6Y852 P985 V986 E991 I992 L993Y852-I989 HydrophobicContact CD1-CD1 4.25Å; Y852-I989 HydrophobicContact CD2-CD1 3.48Å; Y852-I989 VanDerWaalsContact CD2-CD1 3.48Å; Y852-I989 HydrophobicContact CE1-CD1 4.36Å; Y852-I989 HydrophobicContact CE2-CD1 3.58Å; Y852-I989 HydrophobicContact CG-CD1 3.83Å; P985-I989 WeakPolarHBondContact O-CG1 2.99Å; P985-I989 PolarHBondContact O-N 2.97Å; V986-I989 PolarHBondContact O-N 3.1Å; I989-E991 VanDerWaalsContact C-N 3.32Å; I989-E991 PolarHBondContact O-N 2.54Å; I989-I992 PolarHBondContact O-N 3.26Å; I989-L993 HydrophobicContact CG2-CD1 4.15Å; I989-L993 WeakPolarHBondContact O-CG 3.31Å; I989-L993 PolarHBondContact O-N 3.4Å; I989-L993 VanDerWaalsContact O-N 3.12Å
990D92.2Very high91Very high2 Ų260.8 Ų60.81%0.01129%0.287CS..Hα-helixtrans-65.9-36.6-178.9-168.959.6000112.5R845 I849 N923 V986 I987 I992 L993 K994R845-D990 IonicContact CZ-OD1 3.87Å; R845-D990 IonicContact CZ-OD2 3.83Å; R845-D990 IonicContact NE-OD1 2.65Å; R845-D990 PolarHBondContact NE-OD1 3.28Å; R845-D990 IonicContact NH2-OD1 2.7Å; R845-D990 PolarHBondContact NH2-OD1 3.1Å; R845-D990 IonicContact NH2-OD2 3.6Å; R845-D990 PolarHBondContact NH2-OD2 2.85Å; I849-D990 HydrophobicContact CD1-CB 4.27Å; I849-D990 WeakPolarHBondContact CD1-OD1 3.47Å; N923-D990 HydrophobicContact CB-CB 4.2Å; N923-D990 VanDerWaalsContact CB-OD2 3.26Å; N923-D990 WeakPolarHBondContact CB-OD2 2.93Å; N923-D990 WeakPolarHBondContact ND2-CB 3.42Å; V986-D990 WeakPolarHBondContact O-CB 3.23Å; V986-D990 PolarHBondContact O-N 2.79Å; I987-D990 PolarHBondContact O-N 3.38Å; D990-I992 VanDerWaalsContact C-N 3.3Å; D990-I992 PolarHBondContact O-N 3.44Å; D990-L993 CarbonylContact O-C 3.27Å; D990-L993 WeakPolarHBondContact O-CB 3.32Å; D990-L993 PolarHBondContact O-N 3.03Å; D990-L993 VanDerWaalsContact O-N 3.07Å; D990-K994 WeakPolarHBondContact O-CG 3.2Å; D990-K994 PolarHBondContact O-N 2.87Å; D990-K994 WeakPolarHBondContact OD2-CE 3.14Å; D990-K994 IonicContact OD2-NZ 3.36Å
991E92.5Very high89.6Confident36 Ų3659.9 Ų59.917%0.16829%0.285CS..Hα-helixtrans-66.1-33.9179.2-159.172.9157.300112.6S930 L931 I987 F988 I989 K994 L995S930-E991 WeakPolarHBondContact CA-OE1 3.47Å; S930-E991 WeakPolarHBondContact CB-OE1 3.39Å; S930-E991 PolarHBondContact OG-OE1 3.36Å; L931-E991 PolarHBondContact N-OE1 3.38Å; I987-E991 VanDerWaalsContact O-CB 3.28Å; I987-E991 WeakPolarHBondContact O-CB 3.45Å; I987-E991 PolarHBondContact O-N 2.86Å; F988-E991 PolarHBondContact O-N 2.95Å; I989-E991 VanDerWaalsContact C-N 3.32Å; I989-E991 PolarHBondContact O-N 2.54Å; E991-K994 WeakPolarHBondContact OE2-CD 3.42Å; E991-L995 WeakPolarHBondContact O-CB 3.17Å; E991-L995 PolarHBondContact O-N 3.45Å
992I93Very high87.7Confident103 Ų10357.8 Ų57.853%0.52828%0.28SS..Hα-helixtrans-65.8-44.4170.1-68.6166.4000110.2F988 I989 D990 K994 L995 I996F988-I992 VanDerWaalsContact O-CG1 3.31Å; F988-I992 WeakPolarHBondContact O-CG1 3.33Å; F988-I992 PolarHBondContact O-N 3.24Å; F988-I992 VanDerWaalsContact O-N 3.09Å; I989-I992 PolarHBondContact O-N 3.26Å; D990-I992 VanDerWaalsContact C-N 3.3Å; D990-I992 PolarHBondContact O-N 3.44Å; I992-K994 PolarHBondContact O-N 3.44Å; I992-L995 WeakPolarHBondContact O-CB 3.33Å; I992-L995 PolarHBondContact O-N 3.38Å; I992-L995 VanDerWaalsContact O-N 3.17Å; I992-I996 HydrophobicContact CG2-CD1 4.03Å; I992-I996 WeakPolarHBondContact O-CG1 3.2Å; I992-I996 PolarHBondContact O-N 3.4Å
993L91.7Very high85Confident17 Ų1761.3 Ų61.39%0.08930%0.303CS..Hα-helixtrans-63-40.6178.6-65.9171.3000111.7W841 R845 A848 I849 I989 D990 I996 A997W841-L993 HydrophobicContact CH2-CD2 4.5Å; R845-L993 HydrophobicContact CB-CD1 4.47Å; R845-L993 HydrophobicContact CG-CB 4.18Å; R845-L993 HydrophobicContact CG-CD1 3.85Å; A848-L993 HydrophobicContact CB-CD1 4.38Å; I849-L993 HydrophobicContact CG1-CD1 4.42Å; I989-L993 HydrophobicContact CG2-CD1 4.15Å; I989-L993 WeakPolarHBondContact O-CG 3.31Å; I989-L993 PolarHBondContact O-N 3.4Å; I989-L993 VanDerWaalsContact O-N 3.12Å; D990-L993 CarbonylContact O-C 3.27Å; D990-L993 WeakPolarHBondContact O-CB 3.32Å; D990-L993 PolarHBondContact O-N 3.03Å; D990-L993 VanDerWaalsContact O-N 3.07Å; L993-I996 PolarHBondContact O-N 3.47Å; L993-A997 PolarHBondContact O-N 2.84Å
994K88.7Confident82.1Confident2 Ų265.5 Ų65.51%0.00933%0.33CS..Hα-helixtrans-61.8-41.3171.6-73.9175.3168.7-177.20112.5N923 S926 Q929 D990 E991 I992 I996 A997 R998N923-K994 WeakPolarHBondContact O-CE 3.48Å; N923-K994 PolarHBondContact O-NZ 3.02Å; S926-K994 WeakPolarHBondContact O-CE 3.45Å; S926-K994 PolarHBondContact O-NZ 2.77Å; Q929-K994 WeakPolarHBondContact O-CD 3.28Å; Q929-K994 PolarHBondContact O-NZ 2.9Å; Q929-K994 VanDerWaalsContact O-NZ 3.1Å; D990-K994 WeakPolarHBondContact O-CG 3.2Å; D990-K994 PolarHBondContact O-N 2.87Å; D990-K994 WeakPolarHBondContact OD2-CE 3.14Å; D990-K994 IonicContact OD2-NZ 3.36Å; E991-K994 WeakPolarHBondContact OE2-CD 3.42Å; I992-K994 PolarHBondContact O-N 3.44Å; K994-I996 VanDerWaalsContact C-N 3.33Å; K994-I996 PolarHBondContact O-N 2.91Å; K994-A997 PolarHBondContact O-N 2.99Å; K994-R998 WeakPolarHBondContact O-CG 3.07Å; K994-R998 PolarHBondContact O-N 2.75Å
995L88.9Confident79.1Confident82 Ų8269.8 Ų69.843%0.42936%0.358SS..Hα-helixtrans-62.3-41.6176.7-174.273.6000111.7E991 I992 R999E991-L995 WeakPolarHBondContact O-CB 3.17Å; E991-L995 PolarHBondContact O-N 3.45Å; I992-L995 WeakPolarHBondContact O-CB 3.33Å; I992-L995 PolarHBondContact O-N 3.38Å; I992-L995 VanDerWaalsContact O-N 3.17Å; L995-R999 PolarHBondContact O-N 2.89Å
996I89.5Confident76Confident62 Ų6273.4 Ų73.432%0.31838%0.38SS..Hα-helixtrans-63.3-46.2175.6-65.5166000109.8W841 I992 L993 K994 R998 R999 F1000W841-I996 HydrophobicContact CH2-CB 4.2Å; W841-I996 HydrophobicContact CH2-CG2 3.52Å; W841-I996 HydrophobicContact CZ2-CB 4.03Å; W841-I996 HydrophobicContact CZ2-CG2 3.69Å; W841-I996 HydrophobicContact CZ3-CG2 4.45Å; I992-I996 HydrophobicContact CG2-CD1 4.03Å; I992-I996 WeakPolarHBondContact O-CG1 3.2Å; I992-I996 PolarHBondContact O-N 3.4Å; L993-I996 PolarHBondContact O-N 3.47Å; K994-I996 VanDerWaalsContact C-N 3.33Å; K994-I996 PolarHBondContact O-N 2.91Å; I996-R998 PolarHBondContact O-N 2.78Å; I996-R999 PolarHBondContact O-N 3.47Å; I996-R999 VanDerWaalsContact O-N 3.16Å; I996-F1000 HydrophobicContact CG2-CD2 4.04Å; I996-F1000 WeakPolarHBondContact O-CD2 3.31Å; I996-F1000 PolarHBondContact O-N 2.88Å
997A85.2Confident72.9Confident0 Ų080.4 Ų80.40%042%0.422CS..Hα-helixtrans-56-50.5179.800000111.9L993 K994 R999 F1000 T1001 D1002L993-A997 PolarHBondContact O-N 2.84Å; K994-A997 PolarHBondContact O-N 2.99Å; A997-R999 VanDerWaalsContact C-N 3.27Å; A997-R999 PolarHBondContact O-N 3.3Å; A997-F1000 PolarHBondContact O-N 3.33Å; A997-T1001 WeakPolarHBondContact CA-OG1 3.48Å; A997-T1001 PolarHBondContact O-N 3.43Å; A997-T1001 PolarHBondContact O-OG1 2.9Å; A997-D1002 PolarHBondContact O-N 3.07Å; A997-D1002 VanDerWaalsContact O-N 3.13Å
998R82.2Confident69.8Low83 Ų8381.3 Ų81.331%0.31344%0.441SS..Hα-helixtrans-61.6-31.5179.4-72.6-174.8-66.9-129.84.8114.2N928 K994 I996N928-R998 HydrophobicContact CB-CG 4.15Å; N928-R998 WeakPolarHBondContact O-CD 3.5Å; N928-R998 WeakPolarHBondContact O-CG 3.34Å; N928-R998 PolarHBondContact O-NH1 2.95Å; K994-R998 WeakPolarHBondContact O-CG 3.07Å; K994-R998 PolarHBondContact O-N 2.75Å; I996-R998 PolarHBondContact O-N 2.78Å
999R80.6Confident66.6Low174 Ų17483.6 Ų83.666%0.65745%0.454SS*.Hα-helixtrans-87-33.1-177.8-82.1-168.8175-168.80.5113.5L995 I996 A997L995-R999 PolarHBondContact O-N 2.89Å; I996-R999 PolarHBondContact O-N 3.47Å; I996-R999 VanDerWaalsContact O-N 3.16Å; A997-R999 VanDerWaalsContact C-N 3.27Å; A997-R999 PolarHBondContact O-N 3.3Å
1000F74.5Confident63.6Low158 Ų15889.7 Ų89.769%0.69349%0.486SS*.Hα-helixtrans-122-24.1-164.9-64.3-76.3000114.8I996 A997I996-F1000 HydrophobicContact CG2-CD2 4.04Å; I996-F1000 WeakPolarHBondContact O-CD2 3.31Å; I996-F1000 PolarHBondContact O-N 2.88Å; A997-F1000 PolarHBondContact O-N 3.33Å
1001T65.7Low60.6Low66 Ų66102.6 Ų102.641%0.40554%0.542SS..THydrogen-bonded Turntrans-109.2-34.6-178.149.80000114.2W841 A997 V1003W841-T1001 HydrophobicContact CB-CG2 4.3Å; W841-T1001 HydrophobicContact CD2-CG2 4.24Å; W841-T1001 HydrophobicContact CG-CG2 4.03Å; A997-T1001 WeakPolarHBondContact CA-OG1 3.48Å; A997-T1001 PolarHBondContact O-N 3.43Å; A997-T1001 PolarHBondContact O-OG1 2.9Å; T1001-V1003 PolarHBondContact O-N 2.75Å
1002D57.2Low59Low80 Ų80106 Ų10643%0.42856%0.561SS.*  trans-88.25.7-173.1-72.5-2000114.7N928 A997 P1004N928-D1002 PolarHBondContact ND2-OD1 2.96Å; N928-D1002 PolarHBondContact ND2-OD2 3.42Å; A997-D1002 PolarHBondContact O-N 3.07Å; A997-D1002 VanDerWaalsContact O-N 3.13Å; D1002-P1004 WeakPolarHBondContact O-CD 3.43Å; D1002-P1004 VanDerWaalsContact O-N 3.12Å
1003V38.5Very low57.2Low102 Ų102106.1 Ų106.162%0.61856%0.563SS**  trans-65.5116.3178.8-176.60000108.3T1001 S1005T1001-V1003 PolarHBondContact O-N 2.75Å; V1003-S1005 PolarHBondContact O-N 3.13Å
1004P35.8Very low55.3Low88 Ų88111.1 Ų111.157%0.57159%0.589SS**  trans-60.2133.7179.4-17.329.6000108.7D1002 T1006D1002-P1004 WeakPolarHBondContact O-CD 3.43Å; D1002-P1004 VanDerWaalsContact O-N 3.12Å; P1004-T1006 HydrophobicContact CB-CG2 3.93Å; P1004-T1006 PolarHBondContact O-N 3.29Å; P1004-T1006 PolarHBondContact O-OG1 3.13Å
1005S32.9Very low53.4Low119 Ų119117.5 Ų117.583%0.83262%0.623SS**  trans-68.655.7167.344.30000111.1V1003 V1007V1003-S1005 PolarHBondContact O-N 3.13Å; S1005-V1007 PolarHBondContact O-N 2.9Å
1006T29.8Very low51.1Low124 Ų124119.7 Ų119.776%0.76164%0.635SS**THydrogen-bonded Turntrans-82.138.6177.340.10000113.1P1004P1004-T1006 HydrophobicContact CB-CG2 3.93Å; P1004-T1006 PolarHBondContact O-N 3.29Å; P1004-T1006 PolarHBondContact O-OG1 3.13Å
1007V30.1Very low48.6Very low148 Ų148123.5 Ų123.590%0.89766%0.657SS**THydrogen-bonded Turntrans-122.97.8172.7-169.70000112.1S1005S1005-V1007 PolarHBondContact O-N 2.9Å
1008G28.7Very low46Very low60 Ų60132.4 Ų132.462%0.61970%0.703SS**SBendtrans-95.4-31-171.900000118.6
1009E27.4Very low43.2Very low197 Ų197136.2 Ų136.292%0.92173%0.734SS**  trans-111.642.7-163.9-69.7-171.315900115.3
1010L30.6Very low40.1Very low181 Ų181133 Ų13395%0.94874%0.74SS**  trans-112.732.7164.7-92.2165.9000112.3
1011K29.7Very low36.9Very low273 Ų273130.7 Ų130.7100%1.18774%0.744SS**  trans-121.80169.9-86.3-168.2176.8-179.50112.5

Retrieved 1,011 of 1,011 residues in 415.7 ms (Link to these results)

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