A0A087Y8J7_POEFO Loading...

FCH and mu domain containing endocytic adaptor 1

AlphaFold DB , UniProt , Accession A0A087Y8J7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 900 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1Y67.2Low70.9Confident172 Ų17295.5 Ų95.568%0.67547%0.47SS*.  0-62.50-161.9-100.2000112.4C3 E4 N5Y1-C3 VanDerWaalsContact C-N 3.32Å; Y1-C3 PolarHBondContact O-N 2.74Å; Y1-E4 WeakPolarHBondContact CA-OE2 3.47Å; Y1-E4 PolarHBondContact N-OE2 3.43Å; Y1-E4 PolarHBondContact O-N 2.8Å; Y1-N5 PolarHBondContact O-ND2 3.47Å
2L74.9Confident71.9Confident38 Ų3891.1 Ų91.120%0.19946%0.46CS..Hα-helixtrans-62.2-39.4-177.8-63.6-178.3000112.3E4 N5 I6 L17 Q199L2-E4 PolarHBondContact O-N 3.14Å; L2-N5 PolarHBondContact O-N 2.83Å; L2-I6 HydrophobicContact CB-CD1 4.08Å; L2-I6 HydrophobicContact CD2-CD1 3.95Å; L2-I6 WeakPolarHBondContact O-CB 3.07Å; L2-I6 WeakPolarHBondContact O-CG1 3.2Å; L2-I6 PolarHBondContact O-N 2.94Å; L2-L17 HydrophobicContact CD1-CD2 3.82Å; L2-Q199 HydrophobicContact CB-CB 4.47Å; L2-Q199 HydrophobicContact CD1-CB 3.64Å; L2-Q199 HydrophobicContact CD1-CG 3.76Å; L2-Q199 HydrophobicContact CG-CB 4.11Å; L2-Q199 HydrophobicContact CG-CG 3.87Å
3C70.9Confident73Confident34 Ų3484.8 Ų84.823%0.2343%0.433CS..Hα-helixtrans-55.9-28.8175.5-1740000114.6Y1 S192 A195Y1-C3 VanDerWaalsContact C-N 3.32Å; Y1-C3 PolarHBondContact O-N 2.74Å; C3-S192 WeakPolarHBondContact SG-CB 3.41Å; C3-S192 PolarHBondContact SG-OG 2.83Å; C3-S192 VanDerWaalsContact SG-OG 3.42Å; C3-A195 HydrophobicContact CB-CB 4.15Å
4E72.4Confident74.1Confident142 Ų14279.7 Ų79.766%0.66441%0.406SS*.Hα-helixtrans-87.3-25.6-176.9-65.9139.9118.700112.5Y1 L2Y1-E4 WeakPolarHBondContact CA-OE2 3.47Å; Y1-E4 PolarHBondContact N-OE2 3.43Å; Y1-E4 PolarHBondContact O-N 2.8Å; L2-E4 PolarHBondContact O-N 3.14Å
5N74.2Confident75.2Confident100 Ų10079.9 Ų79.954%0.53541%0.408SS..Hα-helixtrans-104.4-5.3-167.5-73-89.9000114.2Y1 L2Y1-N5 PolarHBondContact O-ND2 3.47Å; L2-N5 PolarHBondContact O-N 2.83Å
6I71.9Confident76.3Confident37 Ų3780.8 Ų80.819%0.1942%0.419CS..  trans-121.211.5-162.3-63.2-178.4000112.8L2 G8 G13 L17 M191L2-I6 HydrophobicContact CB-CD1 4.08Å; L2-I6 HydrophobicContact CD2-CD1 3.95Å; L2-I6 WeakPolarHBondContact O-CB 3.07Å; L2-I6 WeakPolarHBondContact O-CG1 3.2Å; L2-I6 PolarHBondContact O-N 2.94Å; I6-G8 PolarHBondContact O-N 2.95Å; I6-G13 WeakPolarHBondContact CG2-O 3.34Å; I6-L17 HydrophobicContact CD1-CD1 4.15Å; I6-L17 HydrophobicContact CD1-CD2 3.59Å; I6-L17 HydrophobicContact CD1-CG 3.94Å; I6-L17 HydrophobicContact CG2-CD1 4.08Å; I6-L17 HydrophobicContact CG2-CG 4.25Å; I6-M191 HydrophobicContact CG2-CE 3.72Å
7K69.2Low77.3Confident93 Ų9376.7 Ų76.740%0.40440%0.398SS..  trans-81.89.3179.5-64.3-167.8174.2-170.30116.3E188K7-E188 IonicContact NZ-OE2 3.26Å; K7-E188 PolarHBondContact NZ-OE2 3.31Å
8G68.9Low78.1Confident52 Ų5274.9 Ų74.954%0.53639%0.385SS..  trans-60.2149-167.100000115.9I6 K10 N11I6-G8 PolarHBondContact O-N 2.95Å; G8-K10 PolarHBondContact O-N 3.29Å; G8-N11 PolarHBondContact O-N 3.07Å
9E62.9Low78.9Confident190 Ų19076.4 Ų76.489%0.88839%0.39SS*.THydrogen-bonded Turntrans-41.7-22.5-165.8-57.7179.8152.400118.8N11E9-N11 VanDerWaalsContact C-N 3.34Å
10K70.6Confident79.7Confident176 Ų17676.3 Ų76.377%0.76539%0.39SS*.THydrogen-bonded Turntrans-85.9-5.4179.2-62.4-174.9179.5-178.60113.4G8 A12G8-K10 PolarHBondContact O-N 3.29Å; K10-A12 HydrophobicContact CB-CB 4.44Å; K10-A12 PolarHBondContact O-N 2.81Å
11N77.2Confident80.4Confident16 Ų1672.9 Ų72.99%0.08637%0.373CS..  trans58.26.5-174.6-54.4-21.1000115.2G8 E9 G13 V122 L125 F187G8-N11 PolarHBondContact O-N 3.07Å; E9-N11 VanDerWaalsContact C-N 3.34Å; N11-G13 PolarHBondContact O-N 2.93Å; N11-V122 HydrophobicContact CB-CG1 4.4Å; N11-L125 VanDerWaalsContact ND2-CD2 3.34Å; N11-L125 WeakPolarHBondContact ND2-CD2 2.79Å; N11-F187 HydrophobicContact CB-CE2 4.39Å; N11-F187 HydrophobicContact CB-CZ 4.25Å
12A82.6Confident81.7Confident43 Ų4367.9 Ų67.936%0.35535%0.354SS..THydrogen-bonded Turntrans-72.78.4-176.800000114.6K10 F14 D15 V16K10-A12 HydrophobicContact CB-CB 4.44Å; K10-A12 PolarHBondContact O-N 2.81Å; A12-F14 VanDerWaalsContact C-N 3.26Å; A12-F14 PolarHBondContact O-N 3.26Å; A12-D15 PolarHBondContact O-N 3.18Å; A12-V16 PolarHBondContact O-N 3.44Å
13G85.4Confident82.6Confident10 Ų1071.3 Ų71.310%0.10337%0.369CS..Hα-helixtrans-64.2-30-177.800000113.6I6 N11 L17 M191I6-G13 WeakPolarHBondContact CG2-O 3.34Å; N11-G13 PolarHBondContact O-N 2.93Å; G13-L17 WeakPolarHBondContact O-CG 3.47Å; G13-L17 PolarHBondContact O-N 3.05Å; G13-M191 VanDerWaalsContact C-CE 3.47Å
14F89.4Confident83.7Confident13 Ų1369.9 Ų69.96%0.05736%0.361CS..Hα-helixtrans-63.2-49176.1-177.1-90.8000111.7A12 V16 L17 Y18 M115 T118 V119 V122 M191 F198A12-F14 VanDerWaalsContact C-N 3.26Å; A12-F14 PolarHBondContact O-N 3.26Å; F14-V16 VanDerWaalsContact C-N 3.33Å; F14-V16 PolarHBondContact O-N 2.89Å; F14-L17 PolarHBondContact O-N 3.35Å; F14-Y18 WeakPolarHBondContact O-CB 3.39Å; F14-Y18 PolarHBondContact O-N 3.38Å; F14-M115 HydrophobicContact CE2-CB 3.79Å; F14-M115 HydrophobicContact CE2-CG 4.36Å; F14-M115 HydrophobicContact CZ-CB 3.71Å; F14-T118 HydrophobicContact CD2-CG2 3.73Å; F14-T118 HydrophobicContact CE2-CG2 4.11Å; F14-V119 HydrophobicContact CD1-CG2 3.89Å; F14-V119 HydrophobicContact CE1-CG2 3.36Å; F14-V119 HydrophobicContact CE2-CG2 4.47Å; F14-V119 HydrophobicContact CZ-CG2 3.7Å; F14-V122 HydrophobicContact CB-CG2 4.44Å; F14-M191 HydrophobicContact CB-CE 4.49Å; F14-M191 HydrophobicContact CB-SD 4.04Å; F14-M191 HydrophobicContact CD2-SD 4.46Å; F14-F198 HydrophobicContact CD2-CE2 4.08Å; F14-F198 AromaticContact CE2-CE2 3.71Å; F14-F198 HydrophobicContact CE2-CE2 3.71Å; F14-F198 HydrophobicContact CE2-CZ 4.06Å; F14-F198 HydrophobicContact CZ-CE2 4.26Å; F14-F198 HydrophobicContact CZ-CZ 4.16Å
15D90.3Very high84.7Confident82 Ų8265.5 Ų65.544%0.43934%0.34SS..Hα-helixtrans-63-40.8-177.6-56.9-57.4000111.4A12 L17 Y18 H19A12-D15 PolarHBondContact O-N 3.18Å; D15-L17 PolarHBondContact O-N 3.02Å; D15-Y18 PolarHBondContact O-N 3.15Å; D15-H19 WeakPolarHBondContact O-CB 3.38Å; D15-H19 PolarHBondContact O-CD2 3.2Å; D15-H19 VanDerWaalsContact O-CD2 3.28Å; D15-H19 PolarHBondContact O-N 3.48Å
16V91.9Very high85.7Confident95 Ų9564.9 Ų64.958%0.57634%0.337SS*.Hα-helixtrans-58.8-45.5175.8174.30000111.3A12 F14 N20A12-V16 PolarHBondContact O-N 3.44Å; F14-V16 VanDerWaalsContact C-N 3.33Å; F14-V16 PolarHBondContact O-N 2.89Å; V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 PolarHBondContact O-N 3.08Å
17L93.4Very high86.9Confident11 Ų1164.9 Ų64.96%0.05834%0.342CS..Hα-helixtrans-69.2-44.4178.8-72.5176.7000112.6L2 I6 G13 F14 D15 H19 N20 M21 M191 A195 F198L2-L17 HydrophobicContact CD1-CD2 3.82Å; I6-L17 HydrophobicContact CD1-CD1 4.15Å; I6-L17 HydrophobicContact CD1-CD2 3.59Å; I6-L17 HydrophobicContact CD1-CG 3.94Å; I6-L17 HydrophobicContact CG2-CD1 4.08Å; I6-L17 HydrophobicContact CG2-CG 4.25Å; G13-L17 WeakPolarHBondContact O-CG 3.47Å; G13-L17 PolarHBondContact O-N 3.05Å; F14-L17 PolarHBondContact O-N 3.35Å; D15-L17 PolarHBondContact O-N 3.02Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.19Å; L17-N20 PolarHBondContact O-N 3.02Å; L17-M21 PolarHBondContact O-N 3.45Å; L17-M191 HydrophobicContact CD1-CE 4.08Å; L17-A195 HydrophobicContact CD1-CB 3.96Å; L17-F198 HydrophobicContact CB-CB 4.23Å; L17-F198 HydrophobicContact CB-CD2 3.57Å; L17-F198 HydrophobicContact CB-CE2 3.98Å; L17-F198 HydrophobicContact CB-CG 3.88Å; L17-F198 HydrophobicContact CD1-CB 4.33Å; L17-F198 HydrophobicContact CD1-CD2 3.91Å; L17-F198 HydrophobicContact CD1-CG 4.49Å; L17-F198 HydrophobicContact CD2-CB 4.44Å; L17-F198 HydrophobicContact CG-CD2 4.36Å
18Y93.2Very high88.3Confident44 Ų4460.7 Ų60.717%0.17332%0.324CS..Hα-helixtrans-62.4-40.1177.5178.4-101.6000111.8F14 D15 M21 K22 K112 F198F14-Y18 WeakPolarHBondContact O-CB 3.39Å; F14-Y18 PolarHBondContact O-N 3.38Å; D15-Y18 PolarHBondContact O-N 3.15Å; Y18-M21 HydrophobicContact CD2-CE 3.7Å; Y18-M21 HydrophobicContact CE2-CE 3.76Å; Y18-K22 HydrophobicContact CE1-CG 4.48Å; Y18-K22 WeakPolarHBondContact O-CG 3.39Å; Y18-K22 PolarHBondContact O-N 3.09Å; Y18-K22 VanDerWaalsContact OH-CE 3.25Å; Y18-K22 WeakPolarHBondContact OH-CE 3.44Å; Y18-K112 HydrophobicContact CE2-CB 4.17Å; Y18-K112 HydrophobicContact CE2-CG 4.08Å; Y18-F198 HydrophobicContact CD2-CE1 4.37Å; Y18-F198 HydrophobicContact CD2-CZ 4.23Å
19H93.2Very high89.6Confident104 Ų10463.6 Ų63.648%0.48132%0.322SS..Hα-helixtrans-70.1-36.8173.4-84.3-83000112.9D15 L17 M21 K22 H23D15-H19 WeakPolarHBondContact O-CB 3.38Å; D15-H19 PolarHBondContact O-CD2 3.2Å; D15-H19 VanDerWaalsContact O-CD2 3.28Å; D15-H19 PolarHBondContact O-N 3.48Å; L17-H19 VanDerWaalsContact C-N 3.33Å; L17-H19 PolarHBondContact O-N 3.19Å; H19-M21 PolarHBondContact O-N 2.95Å; H19-K22 WeakPolarHBondContact O-CB 3.35Å; H19-K22 PolarHBondContact O-N 3.36Å; H19-K22 VanDerWaalsContact O-N 3.11Å; H19-H23 PolarHBondContact O-N 3.45Å; H19-H23 PolarHBondContact O-ND1 3.2Å
20N94.4Very high91.3Very high73 Ų7359.7 Ų59.739%0.3930%0.304SS..Hα-helixtrans-59.1-47.9174-164.286.3000111.6V16 L17 K22 H23 G24 E202V16-N20 WeakPolarHBondContact O-CB 3.4Å; V16-N20 PolarHBondContact O-N 3.08Å; L17-N20 PolarHBondContact O-N 3.02Å; N20-K22 PolarHBondContact O-N 2.94Å; N20-H23 WeakPolarHBondContact O-CB 3.4Å; N20-H23 PolarHBondContact O-N 2.9Å; N20-G24 PolarHBondContact O-N 3.08Å; N20-E202 VanDerWaalsContact ND2-CD 3.33Å; N20-E202 PolarHBondContact ND2-OE2 3.32Å
21M95.1Very high92.6Very high5 Ų552.6 Ų52.63%0.02527%0.274CS..Hα-helixtrans-53.8-41.4173.9179.8-171.568.500111.4L17 Y18 H19 G24 H108 T111 F198 I201L17-M21 PolarHBondContact O-N 3.45Å; Y18-M21 HydrophobicContact CD2-CE 3.7Å; Y18-M21 HydrophobicContact CE2-CE 3.76Å; H19-M21 PolarHBondContact O-N 2.95Å; M21-G24 PolarHBondContact O-N 2.8Å; M21-H108 HydrophobicContact CE-CB 4.02Å; M21-H108 WeakPolarHBondContact CG-NE2 3.41Å; M21-H108 PolarHBondContact O-CE1 3.35Å; M21-H108 HydrophobicContact SD-CB 4.39Å; M21-T111 HydrophobicContact CE-CG2 4.4Å; M21-T111 HydrophobicContact SD-CG2 3.93Å; M21-F198 HydrophobicContact CB-CD1 4.28Å; M21-F198 HydrophobicContact CB-CE1 4.38Å; M21-F198 HydrophobicContact CE-CE1 4.08Å; M21-F198 HydrophobicContact SD-CD1 4.11Å; M21-F198 HydrophobicContact SD-CE1 3.85Å; M21-I201 HydrophobicContact CG-CG2 4.03Å; M21-I201 HydrophobicContact SD-CD1 4.05Å; M21-I201 HydrophobicContact SD-CG2 4.24Å
22K93.1Very high93.6Very high67 Ų6752 Ų5229%0.29127%0.271SS..Hα-helixtrans-66-36.5175.5-66.2-64.4179.5-177.40113.2Y18 H19 N20 G24 Q25Y18-K22 HydrophobicContact CE1-CG 4.48Å; Y18-K22 WeakPolarHBondContact O-CG 3.39Å; Y18-K22 PolarHBondContact O-N 3.09Å; Y18-K22 VanDerWaalsContact OH-CE 3.25Å; Y18-K22 WeakPolarHBondContact OH-CE 3.44Å; H19-K22 WeakPolarHBondContact O-CB 3.35Å; H19-K22 PolarHBondContact O-N 3.36Å; H19-K22 VanDerWaalsContact O-N 3.11Å; N20-K22 PolarHBondContact O-N 2.94Å; K22-G24 PolarHBondContact O-N 3.08Å; K22-Q25 PolarHBondContact O-N 3.09Å; K22-Q25 VanDerWaalsContact O-N 3.11Å
23H93.9Very high94.4Very high110 Ų11053.4 Ų53.451%0.50927%0.27SS..Hα-helixtrans-63.8-27174.2-57.7143000112.7H19 N20 Q25 L26 A27H19-H23 PolarHBondContact O-N 3.45Å; H19-H23 PolarHBondContact O-ND1 3.2Å; N20-H23 WeakPolarHBondContact O-CB 3.4Å; N20-H23 PolarHBondContact O-N 2.9Å; H23-Q25 PolarHBondContact O-N 3.2Å; H23-L26 WeakPolarHBondContact O-CB 3.47Å; H23-L26 PolarHBondContact O-N 3.13Å; H23-A27 PolarHBondContact O-N 3Å; H23-A27 VanDerWaalsContact O-N 3.13Å
24G94.9Very high95Very high5 Ų558.7 Ų58.75%0.05229%0.291CS..Hα-helixtrans-58.2-24.7171.200000114.6N20 M21 K22 T28 Q104 H205N20-G24 PolarHBondContact O-N 3.08Å; M21-G24 PolarHBondContact O-N 2.8Å; K22-G24 PolarHBondContact O-N 3.08Å; G24-T28 PolarHBondContact O-N 2.94Å; G24-T28 PolarHBondContact O-OG1 3.33Å; G24-T28 VanDerWaalsContact O-OG1 3.04Å; G24-Q104 PolarHBondContact O-NE2 3.11Å; G24-Q104 VanDerWaalsContact O-NE2 3.11Å; G24-Q104 PolarHBondContact O-OE1 2.81Å; G24-H205 WeakPolarHBondContact CA-NE2 3.4Å; G24-H205 PolarHBondContact O-CE1 2.86Å; G24-H205 PolarHBondContact O-NE2 3.4Å
25Q93.9Very high95.4Very high49 Ų4958.1 Ų58.123%0.22929%0.288CS..Hα-helixtrans-77.6-31.7172.5-76172.6-64.100112.8K22 H23 K29 Q104 H108K22-Q25 PolarHBondContact O-N 3.09Å; K22-Q25 VanDerWaalsContact O-N 3.11Å; H23-Q25 PolarHBondContact O-N 3.2Å; Q25-K29 PolarHBondContact O-N 3.38Å; Q25-K29 VanDerWaalsContact O-N 3.14Å; Q25-Q104 HydrophobicContact CG-CB 3.93Å; Q25-H108 PolarHBondContact OE1-ND1 3.37Å
26L94.8Very high95.8Very high88 Ų8858.8 Ų58.846%0.46128%0.284SS..Hα-helixtrans-66-45.2174.4-179.861.1000110.1H23 T28 K29 E30H23-L26 WeakPolarHBondContact O-CB 3.47Å; H23-L26 PolarHBondContact O-N 3.13Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.34Å; L26-K29 PolarHBondContact O-N 3.41Å; L26-K29 VanDerWaalsContact O-N 3.09Å; L26-E30 HydrophobicContact CD1-CG 4.16Å; L26-E30 HydrophobicContact CG-CG 4.31Å; L26-E30 WeakPolarHBondContact O-CG 3.29Å; L26-E30 PolarHBondContact O-N 3.41Å
27A96.8Very high96.1Very high37 Ų3760.2 Ų60.231%0.30629%0.285SS..Hα-helixtrans-58.4-40.6176.400000113.1H23 L31 M209H23-A27 PolarHBondContact O-N 3Å; H23-A27 VanDerWaalsContact O-N 3.13Å; A27-L31 WeakPolarHBondContact O-CB 3.4Å; A27-L31 PolarHBondContact O-N 3.11Å; A27-M209 HydrophobicContact CB-CE 4.33Å; A27-M209 WeakPolarHBondContact O-CE 3.21Å
28T98.1Very high96.4Very high4 Ų462.4 Ų62.43%0.02529%0.293CS..Hα-helixtrans-63.2-41.9174.2-54.50000111.9G24 L26 L31 A32 V97 Y100 Q104G24-T28 PolarHBondContact O-N 2.94Å; G24-T28 PolarHBondContact O-OG1 3.33Å; G24-T28 VanDerWaalsContact O-OG1 3.04Å; L26-T28 VanDerWaalsContact C-N 3.33Å; L26-T28 PolarHBondContact O-N 3.34Å; T28-L31 PolarHBondContact O-N 3Å; T28-A32 PolarHBondContact O-N 2.88Å; T28-A32 VanDerWaalsContact O-N 3.15Å; T28-V97 HydrophobicContact CG2-CG1 3.82Å; T28-V97 WeakPolarHBondContact CG2-O 3.36Å; T28-V97 VanDerWaalsContact O-CG1 3.29Å; T28-V97 WeakPolarHBondContact O-CG1 3.42Å; T28-Y100 HydrophobicContact CG2-CD1 3.88Å; T28-Y100 HydrophobicContact CG2-CE1 4.35Å; T28-Q104 PolarHBondContact OG1-OE1 2.92Å
29K97.3Very high96.6Very high113 Ų11360.5 Ų60.549%0.49129%0.286SS..Hα-helixtrans-67.5-44.2177.8-177.5176.4177.9-67.30112.5Q25 L26 L31 A32 E33Q25-K29 PolarHBondContact O-N 3.38Å; Q25-K29 VanDerWaalsContact O-N 3.14Å; L26-K29 PolarHBondContact O-N 3.41Å; L26-K29 VanDerWaalsContact O-N 3.09Å; K29-L31 VanDerWaalsContact C-N 3.31Å; K29-L31 PolarHBondContact O-N 3.44Å; K29-A32 PolarHBondContact O-N 3.05Å; K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 IonicContact NZ-OE1 3.08Å; K29-E33 PolarHBondContact NZ-OE1 3.42Å; K29-E33 IonicContact NZ-OE2 2.91Å; K29-E33 PolarHBondContact O-N 3.29Å
30E97.8Very high96.9Very high109 Ų10957.8 Ų57.851%0.50928%0.281SS..Hα-helixtrans-62.3-36.6176.5-72.1178.5171.200111.7L26 E33 F34L26-E30 HydrophobicContact CD1-CG 4.16Å; L26-E30 HydrophobicContact CG-CG 4.31Å; L26-E30 WeakPolarHBondContact O-CG 3.29Å; L26-E30 PolarHBondContact O-N 3.41Å; E30-E33 PolarHBondContact O-N 2.86Å; E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 2.66Å
31L98.2Very high97.1Very high27 Ų2759.4 Ų59.414%0.14129%0.289CS..Hα-helixtrans-64.7-43.9172.7179.861.6000112A27 T28 K29 E33 F34 V35 V97 M209 L212 I213A27-L31 WeakPolarHBondContact O-CB 3.4Å; A27-L31 PolarHBondContact O-N 3.11Å; T28-L31 PolarHBondContact O-N 3Å; K29-L31 VanDerWaalsContact C-N 3.31Å; K29-L31 PolarHBondContact O-N 3.44Å; L31-E33 VanDerWaalsContact C-N 3.29Å; L31-E33 PolarHBondContact O-N 3.47Å; L31-F34 PolarHBondContact O-N 3.4Å; L31-V35 HydrophobicContact CD1-CG2 4.16Å; L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 3.37Å; L31-V97 HydrophobicContact CB-CG1 4.44Å; L31-V97 HydrophobicContact CD2-CG1 4.38Å; L31-V97 HydrophobicContact CD2-CG2 4.19Å; L31-V97 HydrophobicContact CG-CG1 4.4Å; L31-V97 HydrophobicContact CG-CG2 4.38Å; L31-M209 HydrophobicContact CB-CE 3.98Å; L31-M209 HydrophobicContact CD2-CE 3.64Å; L31-M209 HydrophobicContact CD2-SD 4.05Å; L31-M209 HydrophobicContact CG-CE 4.45Å; L31-L212 HydrophobicContact CD2-CB 4.27Å; L31-I213 HydrophobicContact CD1-CG1 4.34Å; L31-I213 HydrophobicContact CD2-CG1 4.31Å
32A98.4Very high97.2Very high2 Ų259.8 Ų59.82%0.01729%0.291CS..Hα-helixtrans-63.5-35.2176.700000112.4T28 K29 R36 V97T28-A32 PolarHBondContact O-N 2.88Å; T28-A32 VanDerWaalsContact O-N 3.15Å; K29-A32 PolarHBondContact O-N 3.05Å; A32-R36 WeakPolarHBondContact O-CB 3.42Å; A32-R36 PolarHBondContact O-N 3.39Å; A32-V97 HydrophobicContact CB-CB 4.36Å; A32-V97 HydrophobicContact CB-CG1 3.8Å
33E98.2Very high97.4Very high74 Ų7459.8 Ų59.835%0.34629%0.291SS..Hα-helixtrans-68.9-46.7173.7-78.5162.6-167.700111.9K29 E30 L31 V35 R36 E37K29-E33 WeakPolarHBondContact CE-OE1 3.49Å; K29-E33 IonicContact NZ-OE1 3.08Å; K29-E33 PolarHBondContact NZ-OE1 3.42Å; K29-E33 IonicContact NZ-OE2 2.91Å; K29-E33 PolarHBondContact O-N 3.29Å; E30-E33 PolarHBondContact O-N 2.86Å; L31-E33 VanDerWaalsContact C-N 3.29Å; L31-E33 PolarHBondContact O-N 3.47Å; E33-V35 PolarHBondContact O-N 2.86Å; E33-R36 VanDerWaalsContact CG-NH1 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 2.67Å; E33-R36 VanDerWaalsContact O-N 3.13Å; E33-E37 PolarHBondContact O-N 2.91Å
34F98.6Very high97.6Very high120 Ų12058.5 Ų58.553%0.52629%0.291SS..Hα-helixtrans-59-44.1176.5176.6-96.4000113.2E30 L31 R36 R38 Y216E30-F34 WeakPolarHBondContact O-CB 3.34Å; E30-F34 PolarHBondContact O-N 2.66Å; L31-F34 PolarHBondContact O-N 3.4Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 2.8Å; F34-R38 PolarHBondContact O-N 3.29Å; F34-R38 VanDerWaalsContact O-N 3.12Å; F34-Y216 HydrophobicContact CE1-CE1 4.43Å; F34-Y216 HydrophobicContact CE1-CE2 4.45Å; F34-Y216 AromaticContact CE1-CZ 3.92Å
35V98.5Very high97.8Very high1 Ų163.4 Ų63.41%0.00631%0.309CS..Hα-helixtrans-69.1-29.7178.2-178.90000111.3L31 E33 R38 A39 M90 L93 I94 Y216L31-V35 HydrophobicContact CD1-CG2 4.16Å; L31-V35 WeakPolarHBondContact O-CG2 3.43Å; L31-V35 PolarHBondContact O-N 3.37Å; E33-V35 PolarHBondContact O-N 2.86Å; V35-R38 PolarHBondContact O-N 3.43Å; V35-A39 WeakPolarHBondContact O-CB 3.43Å; V35-A39 PolarHBondContact O-N 3.27Å; V35-M90 HydrophobicContact CG1-CB 3.93Å; V35-M90 HydrophobicContact CG1-CG 4.28Å; V35-L93 HydrophobicContact CG1-CD2 4.4Å; V35-L93 HydrophobicContact CG2-CD2 4.48Å; V35-I94 HydrophobicContact CB-CD1 4.34Å; V35-I94 HydrophobicContact CB-CG1 3.9Å; V35-I94 HydrophobicContact CG1-CD1 4.05Å; V35-I94 HydrophobicContact CG1-CG1 3.71Å; V35-Y216 HydrophobicContact CG1-CD2 4.46Å; V35-Y216 HydrophobicContact CG2-CD2 4.08Å; V35-Y216 HydrophobicContact CG2-CE2 4.33Å
36R98.6Very high98Very high96 Ų9661.3 Ų61.336%0.36230%0.3SS..Hα-helixtrans-66.5-47.2175.3-169.2179.8-58.61069.7112.4A32 E33 F34 R38 A39 A40 I94A32-R36 WeakPolarHBondContact O-CB 3.42Å; A32-R36 PolarHBondContact O-N 3.39Å; E33-R36 VanDerWaalsContact CG-NH1 3.32Å; E33-R36 WeakPolarHBondContact O-CB 3.42Å; E33-R36 PolarHBondContact O-N 2.67Å; E33-R36 VanDerWaalsContact O-N 3.13Å; F34-R36 VanDerWaalsContact C-N 3.3Å; F34-R36 PolarHBondContact O-N 2.8Å; R36-R38 VanDerWaalsContact C-N 3.29Å; R36-R38 PolarHBondContact O-N 3Å; R36-A39 WeakPolarHBondContact O-CB 3.49Å; R36-A39 PolarHBondContact O-N 2.99Å; R36-A39 VanDerWaalsContact O-N 3.16Å; R36-A40 PolarHBondContact O-N 3.38Å; R36-I94 VanDerWaalsContact CA-CD1 3.47Å; R36-I94 HydrophobicContact CB-CD1 3.83Å; R36-I94 HydrophobicContact CG-CD1 4.37Å
37E98.5Very high98.2Very high125 Ų12562.7 Ų62.758%0.58430%0.302SS*.Hα-helixtrans-60.3-41.5174.6-65.6-50.8124.700111.2E33 A39 A40 I41E33-E37 PolarHBondContact O-N 2.91Å; E37-A39 PolarHBondContact O-N 3.41Å; E37-A40 PolarHBondContact O-N 2.99Å; E37-I41 WeakPolarHBondContact O-CG1 3.39Å; E37-I41 PolarHBondContact O-N 3.01Å; E37-I41 VanDerWaalsContact O-N 3.11Å
38R98.1Very high98.3Very high58 Ų5864.1 Ų64.122%0.21931%0.31CS..Hα-helixtrans-61.9-43.3174.4-178.563.8-169.6-74.7-0.7112.1F34 V35 R36 A40 I41 E42 M90 Y216F34-R38 PolarHBondContact O-N 3.29Å; F34-R38 VanDerWaalsContact O-N 3.12Å; V35-R38 PolarHBondContact O-N 3.43Å; R36-R38 VanDerWaalsContact C-N 3.29Å; R36-R38 PolarHBondContact O-N 3Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.37Å; R38-I41 PolarHBondContact O-N 3.09Å; R38-E42 IonicContact CZ-OE1 3.8Å; R38-E42 IonicContact NE-OE1 2.64Å; R38-E42 PolarHBondContact NE-OE1 2.62Å; R38-E42 IonicContact NH2-OE1 2.61Å; R38-E42 PolarHBondContact NH2-OE1 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 3.34Å; R38-E42 VanDerWaalsContact O-N 3.08Å; R38-M90 HydrophobicContact CB-SD 4.33Å; R38-M90 HydrophobicContact CG-CE 3.5Å; R38-M90 VanDerWaalsContact CG-CE 3.5Å; R38-M90 HydrophobicContact CG-SD 3.61Å; R38-Y216 HydrophobicContact CG-CE2 4.17Å; R38-Y216 PolarHBondContact NH1-OH 3.12Å
39A98.4Very high98.3Very high4 Ų465 Ų653%0.03331%0.314CS..Hα-helixtrans-61.9-39.317800000112.5V35 R36 E37 E42 E43 M87 M90V35-A39 WeakPolarHBondContact O-CB 3.43Å; V35-A39 PolarHBondContact O-N 3.27Å; R36-A39 WeakPolarHBondContact O-CB 3.49Å; R36-A39 PolarHBondContact O-N 2.99Å; R36-A39 VanDerWaalsContact O-N 3.16Å; E37-A39 PolarHBondContact O-N 3.41Å; A39-E42 PolarHBondContact O-N 2.83Å; A39-E43 PolarHBondContact O-N 3.19Å; A39-M87 HydrophobicContact CB-CG 4.31Å; A39-M87 WeakPolarHBondContact O-CG 3.4Å; A39-M90 HydrophobicContact CB-CB 3.87Å; A39-M90 HydrophobicContact CB-SD 4.46Å
40A98.4Very high98.3Very high46 Ų4661.6 Ų61.638%0.3830%0.304SS..Hα-helixtrans-66.5-35.217600000112.9R36 E37 R38 T44R36-A40 PolarHBondContact O-N 3.38Å; E37-A40 PolarHBondContact O-N 2.99Å; R38-A40 VanDerWaalsContact C-N 3.34Å; R38-A40 PolarHBondContact O-N 3.37Å; A40-T44 WeakPolarHBondContact O-CB 2.84Å; A40-T44 PolarHBondContact O-N 3.4Å; A40-T44 PolarHBondContact O-OG1 3.14Å
41I98.4Very high98.3Very high107 Ų10763.2 Ų63.255%0.54931%0.31SS..Hα-helixtrans-64.4-46.8172.9-67.8164.4000110.7E37 R38 E43 T44 Y45E37-I41 WeakPolarHBondContact O-CG1 3.39Å; E37-I41 PolarHBondContact O-N 3.01Å; E37-I41 VanDerWaalsContact O-N 3.11Å; R38-I41 PolarHBondContact O-N 3.09Å; I41-E43 PolarHBondContact O-N 3.04Å; I41-T44 PolarHBondContact O-N 3.1Å; I41-Y45 PolarHBondContact O-N 2.67Å
42E97.9Very high98.3Very high14 Ų1465.9 Ų65.97%0.06532%0.324CS..Hα-helixtrans-63.8-38.9177.3-62.6-55.7156.800112.2R38 A39 T44 Y45 S46 H83 L86 M87 M90R38-E42 IonicContact CZ-OE1 3.8Å; R38-E42 IonicContact NE-OE1 2.64Å; R38-E42 PolarHBondContact NE-OE1 2.62Å; R38-E42 IonicContact NH2-OE1 2.61Å; R38-E42 PolarHBondContact NH2-OE1 3.39Å; R38-E42 WeakPolarHBondContact O-CG 3.45Å; R38-E42 PolarHBondContact O-N 3.34Å; R38-E42 VanDerWaalsContact O-N 3.08Å; A39-E42 PolarHBondContact O-N 2.83Å; E42-T44 PolarHBondContact O-N 3.45Å; E42-Y45 PolarHBondContact O-N 2.79Å; E42-S46 WeakPolarHBondContact O-CB 3.36Å; E42-S46 PolarHBondContact O-N 3.14Å; E42-H83 IonicContact OE2-CE1 2.69Å; E42-H83 IonicContact OE2-CG 3.38Å; E42-H83 IonicContact OE2-ND1 3.99Å; E42-H83 PolarHBondContact OE2-ND1 2.9Å; E42-L86 HydrophobicContact CG-CD2 4.04Å; E42-L86 HydrophobicContact CG-CG 4.24Å; E42-M87 HydrophobicContact CB-CB 4.09Å; E42-M90 HydrophobicContact CG-CE 4.23Å; E42-M90 HydrophobicContact CG-SD 3.93Å
43E98.1Very high98.3Very high66 Ų6665.9 Ų65.931%0.30832%0.324SS..Hα-helixtrans-61.3-44.1173.8-159.7-167.6-170.900111.9A39 I41 Y45 S46 K47 M87A39-E43 PolarHBondContact O-N 3.19Å; I41-E43 PolarHBondContact O-N 3.04Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; E43-S46 PolarHBondContact O-N 3.41Å; E43-K47 VanDerWaalsContact CD-CE 3.42Å; E43-K47 HydrophobicContact CG-CD 4.18Å; E43-K47 WeakPolarHBondContact O-CB 3.47Å; E43-K47 WeakPolarHBondContact O-CG 3.32Å; E43-K47 PolarHBondContact O-N 2.67Å; E43-K47 WeakPolarHBondContact OE1-CE 3.38Å; E43-K47 IonicContact OE1-NZ 2.69Å; E43-K47 PolarHBondContact OE1-NZ 3.06Å; E43-K47 IonicContact OE2-NZ 3.41Å; E43-K47 PolarHBondContact OE2-NZ 3.39Å; E43-M87 HydrophobicContact CB-CE 4.21Å; E43-M87 HydrophobicContact CB-CG 4.06Å; E43-M87 HydrophobicContact CG-CE 3.64Å
44T98.3Very high98.2Very high83 Ų8369.1 Ų69.151%0.50934%0.337SS..Hα-helixtrans-65.2-39.1179.4-590000111.2A40 I41 E42 S48A40-T44 WeakPolarHBondContact O-CB 2.84Å; A40-T44 PolarHBondContact O-N 3.4Å; A40-T44 PolarHBondContact O-OG1 3.14Å; I41-T44 PolarHBondContact O-N 3.1Å; E42-T44 PolarHBondContact O-N 3.45Å; T44-S48 WeakPolarHBondContact O-CB 3.49Å; T44-S48 PolarHBondContact O-N 3.36Å; T44-S48 PolarHBondContact O-OG 3.29Å
45Y98.3Very high98.1Very high108 Ų10868.5 Ų68.542%0.42434%0.338SS..Hα-helixtrans-65.6-48.6174.2-169.2-90.6000111.5I41 E42 E43 K47 S48 M49 H83I41-Y45 PolarHBondContact O-N 2.67Å; E42-Y45 PolarHBondContact O-N 2.79Å; E43-Y45 VanDerWaalsContact C-N 3.34Å; Y45-K47 PolarHBondContact O-N 3.09Å; Y45-S48 WeakPolarHBondContact O-CB 3.48Å; Y45-S48 PolarHBondContact O-N 3.02Å; Y45-S48 VanDerWaalsContact O-N 3.13Å; Y45-M49 HydrophobicContact CD1-CG 3.98Å; Y45-M49 HydrophobicContact CE1-CG 3.61Å; Y45-M49 HydrophobicContact CE1-SD 4.34Å; Y45-M49 PolarHBondContact O-N 3.26Å; Y45-H83 HydrophobicContact CD1-CB 4.1Å; Y45-H83 AromaticContact CD1-CD2 3.63Å; Y45-H83 AromaticContact CD1-CE1 3.7Å; Y45-H83 AromaticContact CD1-CG 3.49Å; Y45-H83 VanDerWaalsContact CD1-CG 3.49Å; Y45-H83 AromaticContact CD1-ND1 3.54Å; Y45-H83 AromaticContact CD1-NE2 3.77Å; Y45-H83 AromaticContact CE1-CD2 3.57Å; Y45-H83 AromaticContact CE1-CE1 3.71Å; Y45-H83 AromaticContact CE1-CG 3.94Å; Y45-H83 AromaticContact CE1-NE2 3.43Å; Y45-H83 WeakPolarHBondContact CE1-NE2 3.39Å
46S98.6Very high97.9Very high6 Ų668.8 Ų68.84%0.04234%0.341CS..Hα-helixtrans-53.2-53.5173.9164.80000112.1E42 E43 S48 M49 S50 A80E42-S46 WeakPolarHBondContact O-CB 3.36Å; E42-S46 PolarHBondContact O-N 3.14Å; E43-S46 PolarHBondContact O-N 3.41Å; S46-S48 PolarHBondContact O-N 2.66Å; S46-M49 PolarHBondContact O-N 3.18Å; S46-M49 VanDerWaalsContact O-N 3.09Å; S46-S50 PolarHBondContact O-N 2.78Å; S46-S50 PolarHBondContact O-OG 3.47Å; S46-A80 PolarHBondContact OG-O 2.72Å
47K98.3Very high97.7Very high117 Ų11766.4 Ų66.451%0.50934%0.338SS..Hα-helixtrans-56.8-37.7177.6-74.7168.7178.4166.50112E43 Y45 K51E43-K47 VanDerWaalsContact CD-CE 3.42Å; E43-K47 HydrophobicContact CG-CD 4.18Å; E43-K47 WeakPolarHBondContact O-CB 3.47Å; E43-K47 WeakPolarHBondContact O-CG 3.32Å; E43-K47 PolarHBondContact O-N 2.67Å; E43-K47 WeakPolarHBondContact OE1-CE 3.38Å; E43-K47 IonicContact OE1-NZ 2.69Å; E43-K47 PolarHBondContact OE1-NZ 3.06Å; E43-K47 IonicContact OE2-NZ 3.41Å; E43-K47 PolarHBondContact OE2-NZ 3.39Å; Y45-K47 PolarHBondContact O-N 3.09Å; K47-K51 PolarHBondContact O-N 3.42Å; K47-K51 VanDerWaalsContact O-N 3.09Å
48S98.5Very high97.5Very high66 Ų6666.9 Ų66.946%0.46235%0.345SS..Hα-helixtrans-69-40.6176.8-59.30000112.4T44 Y45 S46 K51 L52T44-S48 WeakPolarHBondContact O-CB 3.49Å; T44-S48 PolarHBondContact O-N 3.36Å; T44-S48 PolarHBondContact O-OG 3.29Å; Y45-S48 WeakPolarHBondContact O-CB 3.48Å; Y45-S48 PolarHBondContact O-N 3.02Å; Y45-S48 VanDerWaalsContact O-N 3.13Å; S46-S48 PolarHBondContact O-N 2.66Å; S48-K51 WeakPolarHBondContact O-CB 3.49Å; S48-K51 PolarHBondContact O-N 2.96Å; S48-L52 PolarHBondContact O-N 3.35Å
49M98.2Very high96.9Very high22 Ų2264.8 Ų64.811%0.10834%0.341CS..Hα-helixtrans-68-40.2175.5-71.6-56.4-62.300112.4Y45 S46 K51 L52 A53 L79 A80Y45-M49 HydrophobicContact CD1-CG 3.98Å; Y45-M49 HydrophobicContact CE1-CG 3.61Å; Y45-M49 HydrophobicContact CE1-SD 4.34Å; Y45-M49 PolarHBondContact O-N 3.26Å; S46-M49 PolarHBondContact O-N 3.18Å; S46-M49 VanDerWaalsContact O-N 3.09Å; M49-K51 VanDerWaalsContact C-N 3.26Å; M49-K51 PolarHBondContact O-N 2.99Å; M49-L52 HydrophobicContact CE-CD2 4.14Å; M49-L52 WeakPolarHBondContact O-CB 3.37Å; M49-L52 PolarHBondContact O-N 2.95Å; M49-L52 VanDerWaalsContact O-N 3.11Å; M49-L52 HydrophobicContact SD-CD2 4.18Å; M49-A53 PolarHBondContact O-N 2.94Å; M49-L79 HydrophobicContact CE-CB 3.91Å; M49-L79 HydrophobicContact CE-CD1 3.77Å; M49-A80 HydrophobicContact CB-CB 3.73Å
50S98.2Very high96.5Very high42 Ų4267.9 Ų67.929%0.29436%0.363SS..Hα-helixtrans-62.2-32.7171.2-56.80000112.6S46 K54 A80S46-S50 PolarHBondContact O-N 2.78Å; S46-S50 PolarHBondContact O-OG 3.47Å; S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.19Å; S50-A80 WeakPolarHBondContact OG-CB 3.38Å
51K98Very high95.9Very high143 Ų14371.9 Ų71.962%0.62237%0.374SS*.Hα-helixtrans-69.2-39.3172.5-174.3178.9178.2-179.40111.5K47 S48 M49 K54 I55K47-K51 PolarHBondContact O-N 3.42Å; K47-K51 VanDerWaalsContact O-N 3.09Å; S48-K51 WeakPolarHBondContact O-CB 3.49Å; S48-K51 PolarHBondContact O-N 2.96Å; M49-K51 VanDerWaalsContact C-N 3.26Å; M49-K51 PolarHBondContact O-N 2.99Å; K51-K54 PolarHBondContact O-N 3.33Å; K51-I55 HydrophobicContact CG-CD1 4.46Å; K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 3.23Å
52L97.8Very high95.3Very high83 Ų8373.6 Ų73.644%0.43538%0.383SS..Hα-helixtrans-64-41.2175.3-176.360.8000111.8S48 M49 K54 I55 A56S48-L52 PolarHBondContact O-N 3.35Å; M49-L52 HydrophobicContact CE-CD2 4.14Å; M49-L52 WeakPolarHBondContact O-CB 3.37Å; M49-L52 PolarHBondContact O-N 2.95Å; M49-L52 VanDerWaalsContact O-N 3.11Å; M49-L52 HydrophobicContact SD-CD2 4.18Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.45Å; L52-I55 WeakPolarHBondContact O-CB 3.49Å; L52-I55 PolarHBondContact O-N 3.49Å; L52-I55 VanDerWaalsContact O-N 3.07Å; L52-A56 PolarHBondContact O-N 2.74Å
53A98.1Very high94.9Very high2 Ų274.9 Ų74.92%0.01740%0.4CS..Hα-helixtrans-58.6-43.1173.300000112.2M49 I55 A56 S57 R73 D77M49-A53 PolarHBondContact O-N 2.94Å; A53-I55 VanDerWaalsContact C-N 3.29Å; A53-I55 PolarHBondContact O-N 2.97Å; A53-A56 WeakPolarHBondContact O-CB 3.47Å; A53-A56 PolarHBondContact O-N 3.32Å; A53-A56 VanDerWaalsContact O-N 3.13Å; A53-S57 PolarHBondContact O-N 3.04Å; A53-R73 HydrophobicContact CB-CG 4.37Å; A53-D77 HydrophobicContact CB-CB 4.48Å; A53-D77 WeakPolarHBondContact CB-OD1 3.46Å
54K96.9Very high94.7Very high143 Ų14374 Ų7462%0.62240%0.399SS*.Hα-helixtrans-66.9-24.3174.2-70.2176.3-178.7-175.70114.2S50 K51 L52 S57 N58S50-K54 WeakPolarHBondContact O-CG 3.33Å; S50-K54 PolarHBondContact O-N 3.19Å; K51-K54 PolarHBondContact O-N 3.33Å; L52-K54 VanDerWaalsContact C-N 3.33Å; L52-K54 PolarHBondContact O-N 3.45Å; K54-S57 WeakPolarHBondContact CA-OG 3.42Å; K54-S57 PolarHBondContact O-OG 2.61Å; K54-N58 PolarHBondContact O-N 2.89Å; K54-N58 PolarHBondContact O-ND2 2.64Å; K54-N58 PolarHBondContact O-OD1 2.9Å
55I96.2Very high94.6Very high106 Ų10675.1 Ų75.154%0.54440%0.397SS..Hα-helixtrans-74.6-39.4170.5-68.2164.9000109.7K51 L52 A53 N58 G59K51-I55 HydrophobicContact CG-CD1 4.46Å; K51-I55 WeakPolarHBondContact O-CG1 3.26Å; K51-I55 PolarHBondContact O-N 3.23Å; L52-I55 WeakPolarHBondContact O-CB 3.49Å; L52-I55 PolarHBondContact O-N 3.49Å; L52-I55 VanDerWaalsContact O-N 3.07Å; A53-I55 VanDerWaalsContact C-N 3.29Å; A53-I55 PolarHBondContact O-N 2.97Å; I55-N58 CarbonylContact O-C 3.6Å; I55-N58 PolarHBondContact O-N 3.28Å; I55-G59 PolarHBondContact O-N 3.29Å
56A94.9Very high94.3Very high8 Ų870.5 Ų70.57%0.06638%0.381CS..Hα-helixtrans-66.8-39.417500000112.9L52 A53 N58 G59 F72 R73L52-A56 PolarHBondContact O-N 2.74Å; A53-A56 WeakPolarHBondContact O-CB 3.47Å; A53-A56 PolarHBondContact O-N 3.32Å; A53-A56 VanDerWaalsContact O-N 3.13Å; A56-N58 PolarHBondContact O-N 2.96Å; A56-G59 PolarHBondContact O-N 2.91Å; A56-F72 HydrophobicContact CB-CB 4.25Å; A56-R73 HydrophobicContact CB-CB 3.87Å
57S94.3Very high94Very high45 Ų4571.9 Ų71.932%0.31539%0.39SS..Hα-helixtrans-59.4-32.1173.263.40000112.9A53 K54 G59A53-S57 PolarHBondContact O-N 3.04Å; K54-S57 WeakPolarHBondContact CA-OG 3.42Å; K54-S57 PolarHBondContact O-OG 2.61Å; S57-G59 VanDerWaalsContact C-N 3.26Å; S57-G59 PolarHBondContact O-N 3.3Å
58N93.1Very high93.9Very high135 Ų13566.9 Ų66.972%0.72237%0.369SS*.THydrogen-bonded Turntrans-91.212.5-179.1-61.17.1000112.1K54 I55 A56K54-N58 PolarHBondContact O-N 2.89Å; K54-N58 PolarHBondContact O-ND2 2.64Å; K54-N58 PolarHBondContact O-OD1 2.9Å; I55-N58 CarbonylContact O-C 3.6Å; I55-N58 PolarHBondContact O-N 3.28Å; A56-N58 PolarHBondContact O-N 2.96Å
59G87Confident93.7Very high14 Ų1468.1 Ų68.114%0.14436%0.363CS..SBendtrans-62.4158172.800000112.6I55 A56 S57 Q61I55-G59 PolarHBondContact O-N 3.29Å; A56-G59 PolarHBondContact O-N 2.91Å; S57-G59 VanDerWaalsContact C-N 3.26Å; S57-G59 PolarHBondContact O-N 3.3Å; G59-Q61 PolarHBondContact O-N 3.07Å; G59-Q61 VanDerWaalsContact O-N 3.09Å
60S88.4Confident93.5Very high69 Ų6970.6 Ų70.648%0.48338%0.377SS..  trans-58.1116.7179.3174.30000111.4L62 A66S60-L62 PolarHBondContact O-N 3.41Å; S60-L62 PolarHBondContact OG-N 2.94Å; S60-L62 VanDerWaalsContact OG-N 3.11Å; S60-L62 PolarHBondContact OG-O 2.79Å; S60-A66 WeakPolarHBondContact O-CB 3.39Å
61Q86.6Confident93.5Very high131 Ų13169.2 Ų69.261%0.61237%0.367SS*.  trans-74.8-0.4169.6-59.9-61.9-26.900112.6G59G59-Q61 PolarHBondContact O-N 3.07Å; G59-Q61 VanDerWaalsContact O-N 3.09Å
62L86Confident93.4Very high142 Ų14266.2 Ų66.274%0.74335%0.354SS*.SBendtrans-98135.4175.1-57.2178.5000110.9S60S60-L62 PolarHBondContact O-N 3.41Å; S60-L62 PolarHBondContact OG-N 2.94Å; S60-L62 VanDerWaalsContact OG-N 3.11Å; S60-L62 PolarHBondContact OG-O 2.79Å
63G89.6Confident93.4Very high41 Ų4165.6 Ų65.642%0.42335%0.346SS..SBendtrans95.2158.9176.300000114.2F65 A66G63-F65 PolarHBondContact O-N 3.37Å; G63-A66 WeakPolarHBondContact O-CB 3.41Å; G63-A66 PolarHBondContact O-N 3.17Å
64T94.1Very high93.4Very high47 Ų4767.7 Ų67.729%0.28836%0.359SS..THydrogen-bonded Turntrans-57.4-21.2-173.4-38.20000114.3L246 I247 F250T64-L246 HydrophobicContact CG2-CB 4.02Å; T64-L246 WeakPolarHBondContact CG2-O 3.35Å; T64-I247 HydrophobicContact CG2-CD1 3.85Å; T64-I247 HydrophobicContact CG2-CG1 4.25Å; T64-F250 HydrophobicContact CG2-CB 3.92Å; T64-F250 HydrophobicContact CG2-CG 4.46Å
65F94.8Very high93.5Very high107 Ų10761.6 Ų61.647%0.46933%0.334SS..THydrogen-bonded Turntrans-81.3-13.3179.8-166.5-100.6000114G63 P67 M68 W69 F72G63-F65 PolarHBondContact O-N 3.37Å; F65-P67 VanDerWaalsContact C-CD 3.42Å; F65-P67 VanDerWaalsContact C-N 3.34Å; F65-P67 VanDerWaalsContact O-N 3.12Å; F65-M68 HydrophobicContact CD1-CB 4.11Å; F65-M68 HydrophobicContact CD2-CB 4.12Å; F65-M68 HydrophobicContact CD2-CG 3.85Å; F65-M68 HydrophobicContact CE1-CB 3.81Å; F65-M68 HydrophobicContact CE2-CB 3.81Å; F65-M68 HydrophobicContact CE2-CG 3.72Å; F65-M68 HydrophobicContact CG-CB 4.27Å; F65-M68 HydrophobicContact CG-CG 4.34Å; F65-M68 HydrophobicContact CZ-CB 3.65Å; F65-M68 HydrophobicContact CZ-CG 4.11Å; F65-M68 WeakPolarHBondContact O-CB 3.27Å; F65-M68 PolarHBondContact O-N 3.18Å; F65-W69 HydrophobicContact CD1-CZ2 4.27Å; F65-W69 AromaticContact CD1-NE1 3.91Å; F65-W69 HydrophobicContact CE1-CD2 4.33Å; F65-W69 AromaticContact CE1-CE2 3.98Å; F65-W69 HydrophobicContact CE1-CH2 4.46Å; F65-W69 HydrophobicContact CE1-CZ2 4.05Å; F65-F72 HydrophobicContact CZ-CE2 4.16Å
66A92.6Very high93.6Very high11 Ų1157.1 Ų57.19%0.09131%0.312CS..Hα-helixtrans-48.5-43-172.700000115S60 G63 M68 W69S60-A66 WeakPolarHBondContact O-CB 3.39Å; G63-A66 WeakPolarHBondContact O-CB 3.41Å; G63-A66 PolarHBondContact O-N 3.17Å; A66-M68 PolarHBondContact O-N 3.39Å; A66-M68 VanDerWaalsContact O-N 3.13Å; A66-W69 PolarHBondContact O-N 3.31Å; A66-W69 VanDerWaalsContact O-N 3.16Å
67P92.5Very high93.7Very high35 Ų3559.3 Ų59.323%0.22732%0.323CS..Hα-helixtrans-63.4-17.9178.4-22.935.1000115.4F65 W69 L246F65-P67 VanDerWaalsContact C-CD 3.42Å; F65-P67 VanDerWaalsContact C-N 3.34Å; F65-P67 VanDerWaalsContact O-N 3.12Å; P67-W69 VanDerWaalsContact C-N 3.34Å; P67-L246 HydrophobicContact CB-CD2 3.94Å; P67-L246 HydrophobicContact CG-CD2 3.93Å
68M95.4Very high93.9Very high12 Ų1260.5 Ų60.56%0.05932%0.322CS..Hα-helixtrans-74-26.7177.6-63-54.6-58.600112.3F65 A66 D70 V71 F72 V238 I241 L246F65-M68 HydrophobicContact CD1-CB 4.11Å; F65-M68 HydrophobicContact CD2-CB 4.12Å; F65-M68 HydrophobicContact CD2-CG 3.85Å; F65-M68 HydrophobicContact CE1-CB 3.81Å; F65-M68 HydrophobicContact CE2-CB 3.81Å; F65-M68 HydrophobicContact CE2-CG 3.72Å; F65-M68 HydrophobicContact CG-CB 4.27Å; F65-M68 HydrophobicContact CG-CG 4.34Å; F65-M68 HydrophobicContact CZ-CB 3.65Å; F65-M68 HydrophobicContact CZ-CG 4.11Å; F65-M68 WeakPolarHBondContact O-CB 3.27Å; F65-M68 PolarHBondContact O-N 3.18Å; A66-M68 PolarHBondContact O-N 3.39Å; A66-M68 VanDerWaalsContact O-N 3.13Å; M68-D70 VanDerWaalsContact C-N 3.26Å; M68-D70 PolarHBondContact O-N 3.45Å; M68-V71 HydrophobicContact CE-CG2 4.36Å; M68-V71 WeakPolarHBondContact O-CB 3.18Å; M68-V71 PolarHBondContact O-N 2.91Å; M68-F72 VanDerWaalsContact O-CD2 3.27Å; M68-F72 WeakPolarHBondContact O-CD2 3.42Å; M68-F72 PolarHBondContact O-N 3.03Å; M68-V238 HydrophobicContact CE-CB 4.34Å; M68-V238 HydrophobicContact CE-CG1 4.18Å; M68-V238 HydrophobicContact CE-CG2 3.97Å; M68-I241 HydrophobicContact SD-CB 3.93Å; M68-I241 HydrophobicContact SD-CG2 3.62Å; M68-L246 HydrophobicContact CG-CD1 4.1Å; M68-L246 HydrophobicContact CG-CD2 4.44Å; M68-L246 HydrophobicContact SD-CD1 4.11Å; M68-L246 HydrophobicContact SD-CD2 4.35Å
69W95.4Very high94.2Very high92 Ų9254.8 Ų54.835%0.34829%0.291SS..Hα-helixtrans-62.7-33.3177.7-69124.5000112.4F65 A66 P67 V71 F72 R73F65-W69 HydrophobicContact CD1-CZ2 4.27Å; F65-W69 AromaticContact CD1-NE1 3.91Å; F65-W69 HydrophobicContact CE1-CD2 4.33Å; F65-W69 AromaticContact CE1-CE2 3.98Å; F65-W69 HydrophobicContact CE1-CH2 4.46Å; F65-W69 HydrophobicContact CE1-CZ2 4.05Å; A66-W69 PolarHBondContact O-N 3.31Å; A66-W69 VanDerWaalsContact O-N 3.16Å; P67-W69 VanDerWaalsContact C-N 3.34Å; W69-V71 VanDerWaalsContact C-N 3.33Å; W69-V71 PolarHBondContact O-N 2.83Å; W69-F72 HydrophobicContact CE3-CD2 4.28Å; W69-F72 PolarHBondContact O-N 3.36Å; W69-R73 VanDerWaalsContact O-CB 3.32Å; W69-R73 WeakPolarHBondContact O-CB 3.33Å; W69-R73 PolarHBondContact O-N 2.85Å
70D94.8Very high94.7Very high74 Ų7454.2 Ų54.240%0.39629%0.286SS..Hα-helixtrans-64.4-34.4172.1-92.3-52.9000113M68 R73 V74M68-D70 VanDerWaalsContact C-N 3.26Å; M68-D70 PolarHBondContact O-N 3.45Å; D70-R73 PolarHBondContact O-N 3.25Å; D70-R73 IonicContact OD1-CZ 3.34Å; D70-R73 IonicContact OD1-NE 3.53Å; D70-R73 PolarHBondContact OD1-NE 3.38Å; D70-R73 IonicContact OD1-NH2 2.89Å; D70-R73 PolarHBondContact OD1-NH2 3.34Å; D70-V74 WeakPolarHBondContact O-CB 3.39Å; D70-V74 WeakPolarHBondContact O-CG2 3.45Å; D70-V74 PolarHBondContact O-N 2.69Å
71V96.3Very high95.2Very high14 Ų1456.2 Ų56.29%0.08529%0.29CS..Hα-helixtrans-67.4-44.6176.4-172.50000110.6M68 W69 R73 S75 F234 N237 V238 I241M68-V71 HydrophobicContact CE-CG2 4.36Å; M68-V71 WeakPolarHBondContact O-CB 3.18Å; M68-V71 PolarHBondContact O-N 2.91Å; W69-V71 VanDerWaalsContact C-N 3.33Å; W69-V71 PolarHBondContact O-N 2.83Å; V71-R73 VanDerWaalsContact C-N 3.35Å; V71-S75 WeakPolarHBondContact O-CB 3.36Å; V71-S75 PolarHBondContact O-N 2.86Å; V71-S75 VanDerWaalsContact O-N 3.13Å; V71-F234 HydrophobicContact CG1-CD2 3.79Å; V71-F234 HydrophobicContact CG1-CE2 3.87Å; V71-N237 HydrophobicContact CG1-CB 3.67Å; V71-V238 HydrophobicContact CG1-CG2 4.05Å; V71-I241 HydrophobicContact CG2-CD1 3.65Å
72F96.9Very high95.8Very high79 Ų7950.6 Ų50.635%0.34627%0.265SS..Hα-helixtrans-62.7-40.6173.5-75.9-73.8000112.2A56 F65 M68 W69 S76 F234A56-F72 HydrophobicContact CB-CB 4.25Å; F65-F72 HydrophobicContact CZ-CE2 4.16Å; M68-F72 VanDerWaalsContact O-CD2 3.27Å; M68-F72 WeakPolarHBondContact O-CD2 3.42Å; M68-F72 PolarHBondContact O-N 3.03Å; W69-F72 HydrophobicContact CE3-CD2 4.28Å; W69-F72 PolarHBondContact O-N 3.36Å; F72-S76 VanDerWaalsContact O-CB 3.3Å; F72-S76 WeakPolarHBondContact O-CB 3.22Å; F72-S76 PolarHBondContact O-N 3.03Å; F72-S76 PolarHBondContact O-OG 3.45Å; F72-F234 AromaticContact CD1-CE2 3.82Å; F72-F234 HydrophobicContact CD1-CE2 3.82Å; F72-F234 AromaticContact CD1-CZ 3.86Å; F72-F234 HydrophobicContact CD1-CZ 3.86Å; F72-F234 AromaticContact CE1-CE2 3.96Å; F72-F234 HydrophobicContact CE1-CE2 3.96Å; F72-F234 AromaticContact CE1-CZ 3.51Å; F72-F234 HydrophobicContact CE1-CZ 3.51Å; F72-F234 HydrophobicContact CG-CE2 4.3Å; F72-F234 HydrophobicContact CZ-CZ 4.05Å
73R97.8Very high96.4Very high70 Ų7045.2 Ų45.226%0.26424%0.236SC..Hα-helixtrans-61.4-57.5176.7-179.1-173.564.168.4-5111.5A53 A56 W69 D70 V71 S75 S76 D77A53-R73 HydrophobicContact CB-CG 4.37Å; A56-R73 HydrophobicContact CB-CB 3.87Å; W69-R73 VanDerWaalsContact O-CB 3.32Å; W69-R73 WeakPolarHBondContact O-CB 3.33Å; W69-R73 PolarHBondContact O-N 2.85Å; D70-R73 PolarHBondContact O-N 3.25Å; D70-R73 IonicContact OD1-CZ 3.34Å; D70-R73 IonicContact OD1-NE 3.53Å; D70-R73 PolarHBondContact OD1-NE 3.38Å; D70-R73 IonicContact OD1-NH2 2.89Å; D70-R73 PolarHBondContact OD1-NH2 3.34Å; V71-R73 VanDerWaalsContact C-N 3.35Å; R73-S75 VanDerWaalsContact C-N 3.31Å; R73-S75 PolarHBondContact O-N 3.47Å; R73-S76 WeakPolarHBondContact O-CB 3.44Å; R73-S76 PolarHBondContact O-N 3.06Å; R73-D77 IonicContact NH1-OD2 3.35Å; R73-D77 PolarHBondContact NH1-OD2 3.25Å; R73-D77 PolarHBondContact O-N 3.07Å
74V97.9Very high96.8Very high47 Ų4745.8 Ų45.829%0.28523%0.229SC..Hα-helixtrans-60.5-39.4-176.9171.60000111.9D70 K78D70-V74 WeakPolarHBondContact O-CB 3.39Å; D70-V74 WeakPolarHBondContact O-CG2 3.45Å; D70-V74 PolarHBondContact O-N 2.69Å; V74-K78 HydrophobicContact CG1-CD 4.28Å; V74-K78 WeakPolarHBondContact O-CB 3.4Å; V74-K78 WeakPolarHBondContact O-CG 3.41Å; V74-K78 PolarHBondContact O-N 2.9Å
75S98.2Very high97Very high14 Ų1447.2 Ų47.210%0.09823%0.233CC..Hα-helixtrans-65.1-42.3173.8-178.80000112.2V71 R73 K78 L79V71-S75 WeakPolarHBondContact O-CB 3.36Å; V71-S75 PolarHBondContact O-N 2.86Å; V71-S75 VanDerWaalsContact O-N 3.13Å; R73-S75 VanDerWaalsContact C-N 3.31Å; R73-S75 PolarHBondContact O-N 3.47Å; S75-K78 PolarHBondContact O-N 3.24Å; S75-L79 WeakPolarHBondContact O-CG 3.41Å; S75-L79 PolarHBondContact O-N 3.32Å
76S98.3Very high97.2Very high12 Ų1242.4 Ų42.48%0.08421%0.212CC..Hα-helixtrans-66.3-39.1177.9-58.50000112.6F72 R73 A80F72-S76 VanDerWaalsContact O-CB 3.3Å; F72-S76 WeakPolarHBondContact O-CB 3.22Å; F72-S76 PolarHBondContact O-N 3.03Å; F72-S76 PolarHBondContact O-OG 3.45Å; R73-S76 WeakPolarHBondContact O-CB 3.44Å; R73-S76 PolarHBondContact O-N 3.06Å; S76-A80 WeakPolarHBondContact O-CB 3.5Å; S76-A80 PolarHBondContact O-N 3.15Å
77D98.5Very high97.5Very high55 Ų5543.1 Ų43.129%0.29421%0.214SC..Hα-helixtrans-61.5-47.5172.5-75.5-41.5000110.9A53 R73 A80 L81A53-D77 HydrophobicContact CB-CB 4.48Å; A53-D77 WeakPolarHBondContact CB-OD1 3.46Å; R73-D77 IonicContact NH1-OD2 3.35Å; R73-D77 PolarHBondContact NH1-OD2 3.25Å; R73-D77 PolarHBondContact O-N 3.07Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.48Å; D77-L81 WeakPolarHBondContact O-CG 3.38Å; D77-L81 PolarHBondContact O-N 2.78Å
78K98.6Very high97.8Very high70 Ų7045.7 Ų45.730%0.30422%0.221SC..Hα-helixtrans-63.1-41.7178.1-77.5-179.6173.6-176.30112.8V74 S75 L81 C82 V230 E233V74-K78 HydrophobicContact CG1-CD 4.28Å; V74-K78 WeakPolarHBondContact O-CB 3.4Å; V74-K78 WeakPolarHBondContact O-CG 3.41Å; V74-K78 PolarHBondContact O-N 2.9Å; S75-K78 PolarHBondContact O-N 3.24Å; K78-L81 PolarHBondContact O-N 3.04Å; K78-C82 PolarHBondContact O-N 2.93Å; K78-C82 VanDerWaalsContact O-N 3.11Å; K78-C82 PolarHBondContact O-SG 3.34Å; K78-V230 HydrophobicContact CB-CB 4.47Å; K78-V230 HydrophobicContact CB-CG1 3.64Å; K78-V230 HydrophobicContact CB-CG2 3.88Å; K78-E233 IonicContact NZ-OE1 2.68Å; K78-E233 PolarHBondContact NZ-OE1 3.32Å; K78-E233 IonicContact NZ-OE2 2.69Å; K78-E233 PolarHBondContact NZ-OE2 3.42Å
79L98.7Very high97.9Very high14 Ų1447.5 Ų47.57%0.07323%0.229CC..Hα-helixtrans-63.1-43174.2-73.3174.8000111.6M49 S75 L81 C82 H83 V227 V230M49-L79 HydrophobicContact CE-CB 3.91Å; M49-L79 HydrophobicContact CE-CD1 3.77Å; S75-L79 WeakPolarHBondContact O-CG 3.41Å; S75-L79 PolarHBondContact O-N 3.32Å; L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.92Å; L79-C82 PolarHBondContact O-N 3.44Å; L79-H83 PolarHBondContact O-CD2 2.76Å; L79-H83 PolarHBondContact O-N 3.25Å; L79-V227 HydrophobicContact CD2-CB 4.35Å; L79-V227 HydrophobicContact CD2-CG1 3.88Å; L79-V227 HydrophobicContact CD2-CG2 4.2Å; L79-V230 HydrophobicContact CD2-CB 4.12Å; L79-V230 HydrophobicContact CD2-CG1 3.93Å; L79-V230 HydrophobicContact CG-CG1 3.84Å
80A98.6Very high98.1Very high3 Ų343.1 Ų43.13%0.02521%0.212CC..Hα-helixtrans-57-45.1175.100000111.8S46 M49 S50 S76 D77 C82 H83 L84S46-A80 PolarHBondContact OG-O 2.72Å; M49-A80 HydrophobicContact CB-CB 3.73Å; S50-A80 WeakPolarHBondContact OG-CB 3.38Å; S76-A80 WeakPolarHBondContact O-CB 3.5Å; S76-A80 PolarHBondContact O-N 3.15Å; D77-A80 WeakPolarHBondContact O-CB 3.29Å; D77-A80 PolarHBondContact O-N 3.48Å; A80-C82 PolarHBondContact O-N 3.26Å; A80-H83 PolarHBondContact O-N 2.73Å; A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.15Å
81L98.6Very high98.2Very high111 Ų11142.8 Ų42.858%0.58121%0.21SC*.Hα-helixtrans-61.7-39177.5-68.6172.4000113D77 K78 L79 H83 L84 E85D77-L81 WeakPolarHBondContact O-CG 3.38Å; D77-L81 PolarHBondContact O-N 2.78Å; K78-L81 PolarHBondContact O-N 3.04Å; L79-L81 VanDerWaalsContact C-N 3.31Å; L79-L81 PolarHBondContact O-N 2.92Å; L81-H83 PolarHBondContact O-N 3.43Å; L81-L84 HydrophobicContact CD2-CD2 4.41Å; L81-L84 PolarHBondContact O-N 3.16Å; L81-E85 WeakPolarHBondContact O-CB 3.38Å; L81-E85 PolarHBondContact O-N 3.25Å
82C98.6Very high98.3Very high12 Ų1245.6 Ų45.68%0.08123%0.225CC..Hα-helixtrans-61.3-44.1177.1-64.80000112.1K78 L79 A80 E85 L86 T223 V227K78-C82 PolarHBondContact O-N 2.93Å; K78-C82 VanDerWaalsContact O-N 3.11Å; K78-C82 PolarHBondContact O-SG 3.34Å; L79-C82 PolarHBondContact O-N 3.44Å; A80-C82 PolarHBondContact O-N 3.26Å; C82-E85 PolarHBondContact O-N 3.44Å; C82-L86 PolarHBondContact O-N 2.93Å; C82-L86 VanDerWaalsContact O-N 3.15Å; C82-T223 HydrophobicContact CB-CG2 4.21Å; C82-T223 WeakPolarHBondContact O-CG2 3.48Å; C82-V227 HydrophobicContact CB-CG2 3.76Å
83H98.4Very high98.4Very high29 Ų2942.3 Ų42.313%0.13421%0.211CC..Hα-helixtrans-74.6-33.5178.3-74.6-92.3000112.6E42 Y45 L79 A80 L81 E85 L86 M87E42-H83 IonicContact OE2-CE1 2.69Å; E42-H83 IonicContact OE2-CG 3.38Å; E42-H83 IonicContact OE2-ND1 3.99Å; E42-H83 PolarHBondContact OE2-ND1 2.9Å; Y45-H83 HydrophobicContact CD1-CB 4.1Å; Y45-H83 AromaticContact CD1-CD2 3.63Å; Y45-H83 AromaticContact CD1-CE1 3.7Å; Y45-H83 AromaticContact CD1-CG 3.49Å; Y45-H83 VanDerWaalsContact CD1-CG 3.49Å; Y45-H83 AromaticContact CD1-ND1 3.54Å; Y45-H83 AromaticContact CD1-NE2 3.77Å; Y45-H83 AromaticContact CE1-CD2 3.57Å; Y45-H83 AromaticContact CE1-CE1 3.71Å; Y45-H83 AromaticContact CE1-CG 3.94Å; Y45-H83 AromaticContact CE1-NE2 3.43Å; Y45-H83 WeakPolarHBondContact CE1-NE2 3.39Å; L79-H83 PolarHBondContact O-CD2 2.76Å; L79-H83 PolarHBondContact O-N 3.25Å; A80-H83 PolarHBondContact O-N 2.73Å; L81-H83 PolarHBondContact O-N 3.43Å; H83-E85 VanDerWaalsContact C-N 3.33Å; H83-E85 PolarHBondContact O-N 3.36Å; H83-L86 PolarHBondContact O-N 3.47Å; H83-M87 PolarHBondContact O-N 3.46Å
84L98.5Very high98.5Very high53 Ų5339.5 Ų39.528%0.27720%0.201SC..Hα-helixtrans-61-41.9171.1-177.358.8000111.7A80 L81 M87 K88A80-L84 WeakPolarHBondContact O-CB 3.38Å; A80-L84 PolarHBondContact O-N 3.15Å; L81-L84 HydrophobicContact CD2-CD2 4.41Å; L81-L84 PolarHBondContact O-N 3.16Å; L84-M87 HydrophobicContact CD1-CE 3.83Å; L84-M87 PolarHBondContact O-N 3.12Å; L84-K88 PolarHBondContact O-N 3Å
85E98.4Very high98.5Very high78 Ų7844.9 Ų44.936%0.36422%0.216SC..Hα-helixtrans-69.5-37.1178.7-159.959.4-144.200112L81 C82 H83 M87 K88 K89L81-E85 WeakPolarHBondContact O-CB 3.38Å; L81-E85 PolarHBondContact O-N 3.25Å; C82-E85 PolarHBondContact O-N 3.44Å; H83-E85 VanDerWaalsContact C-N 3.33Å; H83-E85 PolarHBondContact O-N 3.36Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 2.95Å; E85-K88 WeakPolarHBondContact O-CB 3.31Å; E85-K88 PolarHBondContact O-N 3.47Å; E85-K88 VanDerWaalsContact O-N 3.17Å; E85-K88 IonicContact OE1-NZ 3.68Å; E85-K88 WeakPolarHBondContact OE2-CE 3.34Å; E85-K88 IonicContact OE2-NZ 3.93Å; E85-K88 PolarHBondContact OE2-NZ 3.38Å; E85-K89 PolarHBondContact O-N 3.02Å
86L98.5Very high98.5Very high5 Ų548.2 Ų48.23%0.02623%0.233CC..Hα-helixtrans-61.6-41.5172.8-175.556.6000112.1E42 C82 H83 K88 K89 M90 S219 I220 T223E42-L86 HydrophobicContact CG-CD2 4.04Å; E42-L86 HydrophobicContact CG-CG 4.24Å; C82-L86 PolarHBondContact O-N 2.93Å; C82-L86 VanDerWaalsContact O-N 3.15Å; H83-L86 PolarHBondContact O-N 3.47Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.14Å; L86-K89 PolarHBondContact O-N 3.29Å; L86-M90 HydrophobicContact CD1-CE 3.73Å; L86-M90 HydrophobicContact CD2-CE 3.93Å; L86-M90 HydrophobicContact CG-CE 3.63Å; L86-M90 HydrophobicContact CG-SD 4.15Å; L86-M90 WeakPolarHBondContact O-CB 3.49Å; L86-M90 VanDerWaalsContact O-CG 3.29Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 3.24Å; L86-S219 VanDerWaalsContact CD1-O 3.28Å; L86-S219 WeakPolarHBondContact CD1-O 3.45Å; L86-I220 HydrophobicContact CD1-CG1 4.21Å; L86-T223 HydrophobicContact CB-CG2 4Å; L86-T223 HydrophobicContact CD2-CG2 4.05Å
87M98.5Very high98.5Very high27 Ų2747.6 Ų47.613%0.13323%0.229CC..Hα-helixtrans-59.6-39.3173.3174.1-83.5-97.800112.1A39 E42 E43 H83 L84 E85 M90 N91A39-M87 HydrophobicContact CB-CG 4.31Å; A39-M87 WeakPolarHBondContact O-CG 3.4Å; E42-M87 HydrophobicContact CB-CB 4.09Å; E43-M87 HydrophobicContact CB-CE 4.21Å; E43-M87 HydrophobicContact CB-CG 4.06Å; E43-M87 HydrophobicContact CG-CE 3.64Å; H83-M87 PolarHBondContact O-N 3.46Å; L84-M87 HydrophobicContact CD1-CE 3.83Å; L84-M87 PolarHBondContact O-N 3.12Å; E85-M87 VanDerWaalsContact C-N 3.34Å; E85-M87 PolarHBondContact O-N 2.95Å; M87-M90 PolarHBondContact O-N 3.29Å; M87-N91 PolarHBondContact O-N 2.86Å; M87-N91 PolarHBondContact O-ND2 3.35Å; M87-N91 PolarHBondContact SD-ND2 3.4Å
88K98.5Very high98.5Very high89 Ų8948.6 Ų48.639%0.38723%0.234SC..Hα-helixtrans-64.7-50.8174.4-63.3176.7-156.3161.40111.3L84 E85 L86 M90 N91 D92L84-K88 PolarHBondContact O-N 3Å; E85-K88 WeakPolarHBondContact O-CB 3.31Å; E85-K88 PolarHBondContact O-N 3.47Å; E85-K88 VanDerWaalsContact O-N 3.17Å; E85-K88 IonicContact OE1-NZ 3.68Å; E85-K88 WeakPolarHBondContact OE2-CE 3.34Å; E85-K88 IonicContact OE2-NZ 3.93Å; E85-K88 PolarHBondContact OE2-NZ 3.38Å; L86-K88 VanDerWaalsContact C-N 3.31Å; L86-K88 PolarHBondContact O-N 3.14Å; K88-M90 PolarHBondContact O-N 2.95Å; K88-N91 PolarHBondContact O-N 3.46Å; K88-D92 PolarHBondContact O-N 3.45Å
89K98.4Very high98.5Very high49 Ų4950.9 Ų50.921%0.21324%0.244CC..Hα-helixtrans-53.4-38.9175.8-71.1-174.2179.2-1780112E85 L86 D92 L93 D222E85-K89 PolarHBondContact O-N 3.02Å; L86-K89 PolarHBondContact O-N 3.29Å; K89-D92 PolarHBondContact O-N 3.31Å; K89-L93 PolarHBondContact O-N 2.88Å; K89-D222 VanDerWaalsContact NZ-CB 3.3Å; K89-D222 IonicContact NZ-OD2 3.98Å; K89-D222 PolarHBondContact NZ-OD2 3.34Å
90M98.4Very high98.5Very high1 Ų151.6 Ų51.61%0.00525%0.246CC..Hα-helixtrans-69.6-40.6175.9-72170.7175.900112.9V35 R38 A39 E42 L86 M87 K88 D92 L93 I94 Y216 I220V35-M90 HydrophobicContact CG1-CB 3.93Å; V35-M90 HydrophobicContact CG1-CG 4.28Å; R38-M90 HydrophobicContact CB-SD 4.33Å; R38-M90 HydrophobicContact CG-CE 3.5Å; R38-M90 VanDerWaalsContact CG-CE 3.5Å; R38-M90 HydrophobicContact CG-SD 3.61Å; A39-M90 HydrophobicContact CB-CB 3.87Å; A39-M90 HydrophobicContact CB-SD 4.46Å; E42-M90 HydrophobicContact CG-CE 4.23Å; E42-M90 HydrophobicContact CG-SD 3.93Å; L86-M90 HydrophobicContact CD1-CE 3.73Å; L86-M90 HydrophobicContact CD2-CE 3.93Å; L86-M90 HydrophobicContact CG-CE 3.63Å; L86-M90 HydrophobicContact CG-SD 4.15Å; L86-M90 WeakPolarHBondContact O-CB 3.49Å; L86-M90 VanDerWaalsContact O-CG 3.29Å; L86-M90 WeakPolarHBondContact O-CG 3.31Å; L86-M90 PolarHBondContact O-N 3.24Å; M87-M90 PolarHBondContact O-N 3.29Å; K88-M90 PolarHBondContact O-N 2.95Å; M90-D92 VanDerWaalsContact C-N 3.33Å; M90-L93 PolarHBondContact O-N 3.28Å; M90-I94 VanDerWaalsContact O-CG1 3.28Å; M90-I94 WeakPolarHBondContact O-CG1 3.18Å; M90-I94 PolarHBondContact O-N 3.02Å; M90-Y216 HydrophobicContact CE-CE2 4.09Å; M90-I220 HydrophobicContact CE-CD1 4.23Å; M90-I220 HydrophobicContact CE-CG1 3.88Å
91N98.5Very high98.5Very high66 Ų6652.2 Ų52.235%0.35325%0.252SS..Hα-helixtrans-65-36.6173.3-82.4-70.8000112.5M87 K88 I94 R95M87-N91 PolarHBondContact O-N 2.86Å; M87-N91 PolarHBondContact O-ND2 3.35Å; M87-N91 PolarHBondContact SD-ND2 3.4Å; K88-N91 PolarHBondContact O-N 3.46Å; N91-I94 WeakPolarHBondContact O-CB 3.49Å; N91-I94 PolarHBondContact O-N 2.98Å; N91-R95 WeakPolarHBondContact O-CG 3.35Å; N91-R95 PolarHBondContact O-N 3.38Å; N91-R95 VanDerWaalsContact O-N 3.08Å
92D98.6Very high98.4Very high73 Ų7351.6 Ų51.639%0.3925%0.25SC..Hα-helixtrans-64.7-43.2173.5-69.5-13.8000111.5K88 K89 M90 I94 R95 D96K88-D92 PolarHBondContact O-N 3.45Å; K89-D92 PolarHBondContact O-N 3.31Å; M90-D92 VanDerWaalsContact C-N 3.33Å; D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 PolarHBondContact O-N 2.96Å; D92-R95 VanDerWaalsContact CG-NH2 3.29Å; D92-R95 WeakPolarHBondContact O-CB 3.49Å; D92-R95 PolarHBondContact O-N 3.39Å; D92-R95 VanDerWaalsContact O-N 3.07Å; D92-R95 IonicContact OD1-CZ 3.47Å; D92-R95 IonicContact OD1-NE 2.73Å; D92-R95 PolarHBondContact OD1-NE 3.46Å; D92-R95 IonicContact OD1-NH2 2.67Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; D92-R95 IonicContact OD2-NH2 2.67Å; D92-D96 PolarHBondContact O-N 2.98Å; D92-D96 VanDerWaalsContact O-N 3.11Å
93L98.6Very high98.3Very high10 Ų1054.8 Ų54.85%0.05226%0.264CS..Hα-helixtrans-61.3-37.5171.7-176.962.1000112.5V35 K89 M90 R95 D96 V97 L212 Y216V35-L93 HydrophobicContact CG1-CD2 4.4Å; V35-L93 HydrophobicContact CG2-CD2 4.48Å; K89-L93 PolarHBondContact O-N 2.88Å; M90-L93 PolarHBondContact O-N 3.28Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.87Å; L93-D96 PolarHBondContact O-N 2.95Å; L93-D96 VanDerWaalsContact O-N 3.16Å; L93-V97 HydrophobicContact CD1-CG2 4.37Å; L93-V97 HydrophobicContact CG-CG2 4.28Å; L93-V97 VanDerWaalsContact O-CG2 3.28Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 3.38Å; L93-L212 HydrophobicContact CD1-CB 4.41Å; L93-L212 HydrophobicContact CD1-CD2 3.85Å; L93-Y216 HydrophobicContact CD2-CD2 4.33Å; L93-Y216 HydrophobicContact CD2-CG 4.46Å
94I98.7Very high98.2Very high11 Ų1153.6 Ų53.66%0.05626%0.258CS..Hα-helixtrans-61.7-36.7174.2-68.3161.4000110.9V35 R36 M90 N91 D92 V97 N98V35-I94 HydrophobicContact CB-CD1 4.34Å; V35-I94 HydrophobicContact CB-CG1 3.9Å; V35-I94 HydrophobicContact CG1-CD1 4.05Å; V35-I94 HydrophobicContact CG1-CG1 3.71Å; R36-I94 VanDerWaalsContact CA-CD1 3.47Å; R36-I94 HydrophobicContact CB-CD1 3.83Å; R36-I94 HydrophobicContact CG-CD1 4.37Å; M90-I94 VanDerWaalsContact O-CG1 3.28Å; M90-I94 WeakPolarHBondContact O-CG1 3.18Å; M90-I94 PolarHBondContact O-N 3.02Å; N91-I94 WeakPolarHBondContact O-CB 3.49Å; N91-I94 PolarHBondContact O-N 2.98Å; D92-I94 VanDerWaalsContact C-N 3.32Å; D92-I94 PolarHBondContact O-N 2.96Å; I94-V97 PolarHBondContact O-N 3.02Å; I94-N98 WeakPolarHBondContact O-CB 3.37Å; I94-N98 PolarHBondContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 3.46Å
95R98.6Very high98.1Very high160 Ų16054.3 Ų54.360%0.60427%0.265SS*.Hα-helixtrans-62.8-43173.4-62.6-172.6-67.7131.8-9.1111.3N91 D92 L93 K99N91-R95 WeakPolarHBondContact O-CG 3.35Å; N91-R95 PolarHBondContact O-N 3.38Å; N91-R95 VanDerWaalsContact O-N 3.08Å; D92-R95 VanDerWaalsContact CG-NH2 3.29Å; D92-R95 WeakPolarHBondContact O-CB 3.49Å; D92-R95 PolarHBondContact O-N 3.39Å; D92-R95 VanDerWaalsContact O-N 3.07Å; D92-R95 IonicContact OD1-CZ 3.47Å; D92-R95 IonicContact OD1-NE 2.73Å; D92-R95 PolarHBondContact OD1-NE 3.46Å; D92-R95 IonicContact OD1-NH2 2.67Å; D92-R95 PolarHBondContact OD1-NH2 3.38Å; D92-R95 IonicContact OD2-NH2 2.67Å; L93-R95 VanDerWaalsContact C-N 3.27Å; L93-R95 PolarHBondContact O-N 2.87Å; R95-K99 VanDerWaalsContact O-CB 3.3Å; R95-K99 WeakPolarHBondContact O-CB 3.15Å; R95-K99 PolarHBondContact O-N 3.09Å
96D98.5Very high98Very high84 Ų8456.3 Ų56.345%0.44927%0.272SS..Hα-helixtrans-67.7-40.3176.8-77.8-25.1000113.4D92 L93 K99 Y100 L212D92-D96 PolarHBondContact O-N 2.98Å; D92-D96 VanDerWaalsContact O-N 3.11Å; L93-D96 PolarHBondContact O-N 2.95Å; L93-D96 VanDerWaalsContact O-N 3.16Å; D96-K99 PolarHBondContact O-N 2.94Å; D96-Y100 WeakPolarHBondContact O-CB 3.36Å; D96-Y100 PolarHBondContact O-N 3.31Å; D96-L212 HydrophobicContact CB-CD2 4.06Å
97V98.7Very high97.8Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-63.6-45.2175.1179.20000110.5T28 L31 A32 L93 I94 Y100 G101 L212T28-V97 HydrophobicContact CG2-CG1 3.82Å; T28-V97 WeakPolarHBondContact CG2-O 3.36Å; T28-V97 VanDerWaalsContact O-CG1 3.29Å; T28-V97 WeakPolarHBondContact O-CG1 3.42Å; L31-V97 HydrophobicContact CB-CG1 4.44Å; L31-V97 HydrophobicContact CD2-CG1 4.38Å; L31-V97 HydrophobicContact CD2-CG2 4.19Å; L31-V97 HydrophobicContact CG-CG1 4.4Å; L31-V97 HydrophobicContact CG-CG2 4.38Å; A32-V97 HydrophobicContact CB-CB 4.36Å; A32-V97 HydrophobicContact CB-CG1 3.8Å; L93-V97 HydrophobicContact CD1-CG2 4.37Å; L93-V97 HydrophobicContact CG-CG2 4.28Å; L93-V97 VanDerWaalsContact O-CG2 3.28Å; L93-V97 WeakPolarHBondContact O-CG2 3.45Å; L93-V97 PolarHBondContact O-N 3.38Å; I94-V97 PolarHBondContact O-N 3.02Å; V97-Y100 PolarHBondContact O-N 3.35Å; V97-G101 PolarHBondContact O-N 2.89Å; V97-L212 HydrophobicContact CG2-CB 4.35Å; V97-L212 HydrophobicContact CG2-CD1 4.11Å; V97-L212 HydrophobicContact CG2-CD2 4.01Å; V97-L212 HydrophobicContact CG2-CG 4.38Å
98N98.1Very high97.6Very high76 Ų7657.9 Ų57.941%0.40628%0.283SS..Hα-helixtrans-63.5-45.5177.8-71.5-22000111.9I94 Y100 G101 D102I94-N98 WeakPolarHBondContact O-CB 3.37Å; I94-N98 PolarHBondContact O-N 3.08Å; I94-N98 PolarHBondContact O-ND2 3.46Å; N98-Y100 VanDerWaalsContact C-N 3.29Å; N98-Y100 PolarHBondContact O-N 3.41Å; N98-G101 WeakPolarHBondContact O-CA 3.49Å; N98-G101 PolarHBondContact O-N 3.49Å; N98-D102 PolarHBondContact O-N 3.28Å
99K98.4Very high97.4Very high118 Ų11860.5 Ų60.551%0.51329%0.29SS..Hα-helixtrans-56.2-43.5175175.9-170.9167.6-166.50111.6R95 D96 G101 D102 E103R95-K99 VanDerWaalsContact O-CB 3.3Å; R95-K99 WeakPolarHBondContact O-CB 3.15Å; R95-K99 PolarHBondContact O-N 3.09Å; D96-K99 PolarHBondContact O-N 2.94Å; K99-G101 VanDerWaalsContact C-N 3.31Å; K99-G101 PolarHBondContact O-N 3.13Å; K99-D102 PolarHBondContact O-N 2.85Å; K99-E103 WeakPolarHBondContact CE-OE1 3.42Å; K99-E103 WeakPolarHBondContact O-CG 3.47Å; K99-E103 PolarHBondContact O-N 3.39Å
100Y98.4Very high97.2Very high28 Ų2863.9 Ų63.911%0.1131%0.305CS..Hα-helixtrans-65.1-34.2174.8173.6-114.1000112.4T28 D96 V97 N98 E103 Q104 H205 Q208 M209 L212T28-Y100 HydrophobicContact CG2-CD1 3.88Å; T28-Y100 HydrophobicContact CG2-CE1 4.35Å; D96-Y100 WeakPolarHBondContact O-CB 3.36Å; D96-Y100 PolarHBondContact O-N 3.31Å; V97-Y100 PolarHBondContact O-N 3.35Å; N98-Y100 VanDerWaalsContact C-N 3.29Å; N98-Y100 PolarHBondContact O-N 3.41Å; Y100-E103 WeakPolarHBondContact O-CB 3.47Å; Y100-E103 PolarHBondContact O-N 3.47Å; Y100-Q104 HydrophobicContact CE1-CG 3.97Å; Y100-Q104 HydrophobicContact CE2-CG 4Å; Y100-Q104 PolarHBondContact O-N 3.37Å; Y100-Q104 WeakPolarHBondContact OH-CG 3.31Å; Y100-Q104 PolarHBondContact OH-NE2 3Å; Y100-H205 AromaticContact CE1-ND1 3.68Å; Y100-H205 AromaticContact CZ-ND1 3.77Å; Y100-H205 VanDerWaalsContact OH-CA 3.31Å; Y100-H205 WeakPolarHBondContact OH-CA 3.46Å; Y100-H205 WeakPolarHBondContact OH-CB 3.35Å; Y100-H205 PolarHBondContact OH-ND1 2.94Å; Y100-Q208 HydrophobicContact CD1-CG 4.08Å; Y100-Q208 HydrophobicContact CD2-CB 4.49Å; Y100-Q208 HydrophobicContact CD2-CG 3.62Å; Y100-Q208 HydrophobicContact CE1-CB 4.47Å; Y100-Q208 HydrophobicContact CE1-CG 4.18Å; Y100-Q208 HydrophobicContact CE2-CB 4.11Å; Y100-Q208 HydrophobicContact CE2-CG 3.73Å; Y100-Q208 HydrophobicContact CG-CG 3.82Å; Y100-M209 HydrophobicContact CD1-SD 4.4Å; Y100-M209 HydrophobicContact CE1-CG 4.41Å; Y100-M209 HydrophobicContact CE1-SD 4.13Å; Y100-L212 HydrophobicContact CD1-CD1 4Å; Y100-L212 HydrophobicContact CG-CD1 4.41Å
101G97.8Very high97.1Very high16 Ų1663.8 Ų63.817%0.16531%0.305CS..Hα-helixtrans-58.6-44.4169.900000113.2V97 N98 K99 E103 Q104 V105V97-G101 PolarHBondContact O-N 2.89Å; N98-G101 WeakPolarHBondContact O-CA 3.49Å; N98-G101 PolarHBondContact O-N 3.49Å; K99-G101 VanDerWaalsContact C-N 3.31Å; K99-G101 PolarHBondContact O-N 3.13Å; G101-E103 VanDerWaalsContact C-N 3.3Å; G101-E103 PolarHBondContact O-N 3.17Å; G101-Q104 WeakPolarHBondContact O-CB 3.39Å; G101-Q104 PolarHBondContact O-N 2.86Å; G101-V105 WeakPolarHBondContact O-CG2 3.1Å; G101-V105 PolarHBondContact O-N 3.11Å
102D97.3Very high96.8Very high98 Ų9866.8 Ų66.852%0.52431%0.314SS..Hα-helixtrans-65.3-33.2174.7-72.2-34000112.7N98 K99 V105 K106N98-D102 PolarHBondContact O-N 3.28Å; K99-D102 PolarHBondContact O-N 2.85Å; D102-V105 PolarHBondContact O-N 2.93Å; D102-K106 WeakPolarHBondContact O-CD 3.36Å; D102-K106 WeakPolarHBondContact O-CG 3.38Å; D102-K106 PolarHBondContact O-N 3.28Å
103E96.6Very high96.6Very high80 Ų8069.1 Ų69.137%0.37432%0.323SS..Hα-helixtrans-67.9-42.5172.7-70.5168.8-17200111.2K99 Y100 G101 V105 K106 V107K99-E103 WeakPolarHBondContact CE-OE1 3.42Å; K99-E103 WeakPolarHBondContact O-CG 3.47Å; K99-E103 PolarHBondContact O-N 3.39Å; Y100-E103 WeakPolarHBondContact O-CB 3.47Å; Y100-E103 PolarHBondContact O-N 3.47Å; G101-E103 VanDerWaalsContact C-N 3.3Å; G101-E103 PolarHBondContact O-N 3.17Å; E103-V105 VanDerWaalsContact C-N 3.35Å; E103-V105 PolarHBondContact O-N 3.01Å; E103-K106 WeakPolarHBondContact O-CB 3.14Å; E103-K106 PolarHBondContact O-N 3.35Å; E103-V107 WeakPolarHBondContact O-CG2 3.16Å; E103-V107 PolarHBondContact O-N 3.23Å
104Q95.8Very high96.3Very high4 Ų472.5 Ų72.52%0.01934%0.338CS..Hα-helixtrans-58.2-42.2169.4-78.8-174.4-54.600112.3G24 Q25 T28 Y100 G101 K106 V107 H108 H205G24-Q104 PolarHBondContact O-NE2 3.11Å; G24-Q104 VanDerWaalsContact O-NE2 3.11Å; G24-Q104 PolarHBondContact O-OE1 2.81Å; Q25-Q104 HydrophobicContact CG-CB 3.93Å; T28-Q104 PolarHBondContact OG1-OE1 2.92Å; Y100-Q104 HydrophobicContact CE1-CG 3.97Å; Y100-Q104 HydrophobicContact CE2-CG 4Å; Y100-Q104 PolarHBondContact O-N 3.37Å; Y100-Q104 WeakPolarHBondContact OH-CG 3.31Å; Y100-Q104 PolarHBondContact OH-NE2 3Å; G101-Q104 WeakPolarHBondContact O-CB 3.39Å; G101-Q104 PolarHBondContact O-N 2.86Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.49Å; Q104-V107 PolarHBondContact O-N 3.36Å; Q104-H108 VanDerWaalsContact O-CB 3.32Å; Q104-H108 WeakPolarHBondContact O-CB 3.43Å; Q104-H108 PolarHBondContact O-CD2 3.39Å; Q104-H108 VanDerWaalsContact O-CD2 3.29Å; Q104-H108 PolarHBondContact O-N 3.1Å; Q104-H205 PolarHBondContact NE2-CE1 3.16Å; Q104-H205 VanDerWaalsContact NE2-CE1 3.32Å; Q104-H205 PolarHBondContact NE2-ND1 3.23Å
105V95.9Very high96Very high68 Ų6873 Ų7341%0.41234%0.341SS..Hα-helixtrans-57.4-41.8176.6173.90000111.1G101 D102 E103 R109G101-V105 WeakPolarHBondContact O-CG2 3.1Å; G101-V105 PolarHBondContact O-N 3.11Å; D102-V105 PolarHBondContact O-N 2.93Å; E103-V105 VanDerWaalsContact C-N 3.35Å; E103-V105 PolarHBondContact O-N 3.01Å; V105-R109 WeakPolarHBondContact O-CB 3.33Å; V105-R109 PolarHBondContact O-N 3.46Å; V105-R109 VanDerWaalsContact O-N 3.15Å
106K96.2Very high95.8Very high120 Ų12069 Ų6952%0.52233%0.334SS..Hα-helixtrans-66.3-46.8177.5-64.9159.3-166.1162.60111.4D102 E103 Q104 R109 K110D102-K106 WeakPolarHBondContact O-CD 3.36Å; D102-K106 WeakPolarHBondContact O-CG 3.38Å; D102-K106 PolarHBondContact O-N 3.28Å; E103-K106 WeakPolarHBondContact O-CB 3.14Å; E103-K106 PolarHBondContact O-N 3.35Å; Q104-K106 VanDerWaalsContact C-N 3.26Å; Q104-K106 PolarHBondContact O-N 3.49Å; K106-R109 PolarHBondContact O-N 3.34Å; K106-K110 PolarHBondContact O-N 3.38Å; K106-K110 VanDerWaalsContact O-N 3.15Å
107V95.1Very high95.6Very high60 Ų6066.8 Ų66.836%0.36433%0.332SS..Hα-helixtrans-62.3-48.3177.4175.70000111.2E103 Q104 R109 K110 T111 I201E103-V107 WeakPolarHBondContact O-CG2 3.16Å; E103-V107 PolarHBondContact O-N 3.23Å; Q104-V107 PolarHBondContact O-N 3.36Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.36Å; V107-K110 PolarHBondContact O-N 3.03Å; V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 2.85Å; V107-T111 PolarHBondContact O-OG1 3.41Å; V107-T111 VanDerWaalsContact O-OG1 3.09Å; V107-I201 HydrophobicContact CG1-CD1 4.44Å; V107-I201 HydrophobicContact CG1-CG1 4.33Å; V107-I201 HydrophobicContact CG1-CG2 4.39Å
108H93.8Very high95.4Very high4 Ų467 Ų672%0.01933%0.333CS..Hα-helixtrans-69.7-22.3-175.9-64.2-175.4000113.4M21 Q25 Q104 K112M21-H108 HydrophobicContact CE-CB 4.02Å; M21-H108 WeakPolarHBondContact CG-NE2 3.41Å; M21-H108 PolarHBondContact O-CE1 3.35Å; M21-H108 HydrophobicContact SD-CB 4.39Å; Q25-H108 PolarHBondContact OE1-ND1 3.37Å; Q104-H108 VanDerWaalsContact O-CB 3.32Å; Q104-H108 WeakPolarHBondContact O-CB 3.43Å; Q104-H108 PolarHBondContact O-CD2 3.39Å; Q104-H108 VanDerWaalsContact O-CD2 3.29Å; Q104-H108 PolarHBondContact O-N 3.1Å; H108-K112 PolarHBondContact O-N 3.37Å
109R95.1Very high95.1Very high145 Ų14565.7 Ų65.755%0.54733%0.328SS..Hα-helixtrans-72.3-55.5168.2169.8168.450-154.1-8.5110.5V105 K106 V107 T111 K112 E113V105-R109 WeakPolarHBondContact O-CB 3.33Å; V105-R109 PolarHBondContact O-N 3.46Å; V105-R109 VanDerWaalsContact O-N 3.15Å; K106-R109 PolarHBondContact O-N 3.34Å; V107-R109 VanDerWaalsContact C-N 3.27Å; V107-R109 PolarHBondContact O-N 3.36Å; R109-T111 VanDerWaalsContact C-N 3.3Å; R109-T111 PolarHBondContact O-N 2.94Å; R109-K112 WeakPolarHBondContact O-CA 3.37Å; R109-K112 WeakPolarHBondContact O-CB 3.42Å; R109-K112 PolarHBondContact O-N 3.25Å; R109-E113 WeakPolarHBondContact CG-OE1 3.48Å; R109-E113 PolarHBondContact O-N 3.35Å
110K95.1Very high95Very high119 Ų11964.4 Ų64.452%0.51733%0.326SS..Hα-helixtrans-55.2-44.2177.9173.4167.9168.31700111.7K106 V107 K112 E113 E114K106-K110 PolarHBondContact O-N 3.38Å; K106-K110 VanDerWaalsContact O-N 3.15Å; V107-K110 PolarHBondContact O-N 3.03Å; K110-K112 VanDerWaalsContact C-N 3.32Å; K110-K112 PolarHBondContact O-N 3.37Å; K110-E113 WeakPolarHBondContact O-CB 3.28Å; K110-E113 PolarHBondContact O-N 2.99Å; K110-E113 VanDerWaalsContact O-N 3.11Å; K110-E114 WeakPolarHBondContact CE-OE1 3.31Å; K110-E114 HydrophobicContact CG-CG 4.13Å; K110-E114 IonicContact NZ-OE1 2.63Å; K110-E114 WeakPolarHBondContact O-CG 3.11Å; K110-E114 PolarHBondContact O-N 3.02Å
111T94.6Very high94.7Very high0 Ų063.6 Ų63.60%033%0.325CS..Hα-helixtrans-64.9-32.8176.6-57.70000112.7M21 V107 R109 E113 M115 R197 F198 I201M21-T111 HydrophobicContact CE-CG2 4.4Å; M21-T111 HydrophobicContact SD-CG2 3.93Å; V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 2.85Å; V107-T111 PolarHBondContact O-OG1 3.41Å; V107-T111 VanDerWaalsContact O-OG1 3.09Å; R109-T111 VanDerWaalsContact C-N 3.3Å; R109-T111 PolarHBondContact O-N 2.94Å; T111-E113 VanDerWaalsContact C-N 3.27Å; T111-E113 PolarHBondContact O-N 3.38Å; T111-M115 HydrophobicContact CG2-CG 3.84Å; T111-M115 VanDerWaalsContact O-CB 3.31Å; T111-M115 WeakPolarHBondContact O-CB 3.37Å; T111-M115 WeakPolarHBondContact O-CG 3.22Å; T111-M115 PolarHBondContact O-N 3.08Å; T111-R197 PolarHBondContact OG1-NH2 3.39Å; T111-F198 HydrophobicContact CG2-CD1 4.42Å; T111-F198 HydrophobicContact CG2-CE1 3.89Å; T111-F198 HydrophobicContact CG2-CZ 4.43Å; T111-I201 HydrophobicContact CG2-CD1 3.63Å; T111-I201 VanDerWaalsContact OG1-CD1 3.28Å; T111-I201 WeakPolarHBondContact OG1-CD1 3.49Å
112K93Very high94.5Very high128 Ų12863.2 Ų63.256%0.55732%0.32SS*.Hα-helixtrans-62.9-37.9172.9-167.2-164.2174.2-165.30111.4Y18 H108 R109 K110 V116Y18-K112 HydrophobicContact CE2-CB 4.17Å; Y18-K112 HydrophobicContact CE2-CG 4.08Å; H108-K112 PolarHBondContact O-N 3.37Å; R109-K112 WeakPolarHBondContact O-CA 3.37Å; R109-K112 WeakPolarHBondContact O-CB 3.42Å; R109-K112 PolarHBondContact O-N 3.25Å; K110-K112 VanDerWaalsContact C-N 3.32Å; K110-K112 PolarHBondContact O-N 3.37Å; K112-V116 WeakPolarHBondContact O-CG2 3.48Å
113E94.3Very high94.3Very high123 Ų12363.7 Ų63.758%0.57532%0.319SS*.Hα-helixtrans-73.8-43.5178.5-66.2149.7-163.100111.6R109 K110 T111 M115R109-E113 WeakPolarHBondContact CG-OE1 3.48Å; R109-E113 PolarHBondContact O-N 3.35Å; K110-E113 WeakPolarHBondContact O-CB 3.28Å; K110-E113 PolarHBondContact O-N 2.99Å; K110-E113 VanDerWaalsContact O-N 3.11Å; T111-E113 VanDerWaalsContact C-N 3.27Å; T111-E113 PolarHBondContact O-N 3.38Å; E113-M115 PolarHBondContact O-N 3.09Å
114E92.8Very high94.2Very high80 Ų8061.7 Ų61.737%0.37432%0.316SS..Hα-helixtrans-59.3-32.3176.6-72176.4153.700113K110 R197K110-E114 WeakPolarHBondContact CE-OE1 3.31Å; K110-E114 HydrophobicContact CG-CG 4.13Å; K110-E114 IonicContact NZ-OE1 2.63Å; K110-E114 WeakPolarHBondContact O-CG 3.11Å; K110-E114 PolarHBondContact O-N 3.02Å; E114-R197 IonicContact OE2-CZ 3.69Å; E114-R197 IonicContact OE2-NE 3.2Å; E114-R197 PolarHBondContact OE2-NE 3.26Å; E114-R197 VanDerWaalsContact OE2-NE 3.13Å; E114-R197 IonicContact OE2-NH2 2.66Å; E114-R197 PolarHBondContact OE2-NH2 3.06Å
115M92.4Very high94Very high21 Ų2161.7 Ų61.710%0.10332%0.316CS..THydrogen-bonded Turntrans-99.14.3-167.7-59.3-70.6100.200114.9F14 T111 E113 G117 T118 V119 S194 R197 F198F14-M115 HydrophobicContact CE2-CB 3.79Å; F14-M115 HydrophobicContact CE2-CG 4.36Å; F14-M115 HydrophobicContact CZ-CB 3.71Å; T111-M115 HydrophobicContact CG2-CG 3.84Å; T111-M115 VanDerWaalsContact O-CB 3.31Å; T111-M115 WeakPolarHBondContact O-CB 3.37Å; T111-M115 WeakPolarHBondContact O-CG 3.22Å; T111-M115 PolarHBondContact O-N 3.08Å; E113-M115 PolarHBondContact O-N 3.09Å; M115-G117 VanDerWaalsContact C-N 3.34Å; M115-G117 PolarHBondContact O-N 3.4Å; M115-T118 WeakPolarHBondContact O-CB 3.28Å; M115-T118 PolarHBondContact O-N 3.36Å; M115-T118 VanDerWaalsContact O-N 3.08Å; M115-V119 PolarHBondContact O-N 3.17Å; M115-S194 VanDerWaalsContact SD-CB 3.54Å; M115-S194 PolarHBondContact SD-OG 3.27Å; M115-R197 HydrophobicContact CE-CB 4.34Å; M115-R197 HydrophobicContact CE-CG 3.96Å; M115-R197 HydrophobicContact SD-CB 4.45Å; M115-R197 HydrophobicContact SD-CG 4.38Å; M115-F198 HydrophobicContact CG-CZ 4.31Å
116V94.1Very high93.8Very high76 Ų7662.8 Ų62.846%0.46132%0.316SS..Hα-helixtrans-56.2-45.8-177.81770000111.9K112 T118 V119 D120K112-V116 WeakPolarHBondContact O-CG2 3.48Å; V116-T118 PolarHBondContact O-N 3.46Å; V116-T118 VanDerWaalsContact O-N 3.09Å; V116-V119 WeakPolarHBondContact O-CA 3.34Å; V116-V119 WeakPolarHBondContact O-CB 3.43Å; V116-V119 PolarHBondContact O-N 2.86Å; V116-D120 PolarHBondContact O-N 3.15Å
117G94Very high93.7Very high39 Ų3960.8 Ų60.840%0.40231%0.314SS..Hα-helixtrans-62.5-19.7179.800000114.8M115 A121M115-G117 VanDerWaalsContact C-N 3.34Å; M115-G117 PolarHBondContact O-N 3.4Å; G117-A121 WeakPolarHBondContact O-CB 3.01Å; G117-A121 PolarHBondContact O-N 3.4Å; G117-A121 VanDerWaalsContact O-N 3.15Å
118T93.8Very high93.7Very high5 Ų560 Ų603%0.03131%0.307CS..Hα-helixtrans-79.7-35.8172.3-54.40000111.4F14 M115 V116 D120 A121 V122 K190 M191 S194F14-T118 HydrophobicContact CD2-CG2 3.73Å; F14-T118 HydrophobicContact CE2-CG2 4.11Å; M115-T118 WeakPolarHBondContact O-CB 3.28Å; M115-T118 PolarHBondContact O-N 3.36Å; M115-T118 VanDerWaalsContact O-N 3.08Å; V116-T118 PolarHBondContact O-N 3.46Å; V116-T118 VanDerWaalsContact O-N 3.09Å; T118-D120 VanDerWaalsContact C-N 3.33Å; T118-A121 PolarHBondContact O-N 3.25Å; T118-V122 VanDerWaalsContact O-CG2 3.31Å; T118-V122 WeakPolarHBondContact O-CG2 3.31Å; T118-V122 PolarHBondContact O-N 3.02Å; T118-K190 HydrophobicContact CG2-CB 4.18Å; T118-K190 PolarHBondContact OG1-O 3.06Å; T118-M191 HydrophobicContact CG2-CB 4.49Å; T118-M191 HydrophobicContact CG2-SD 4.34Å; T118-S194 WeakPolarHBondContact CB-OG 3.29Å; T118-S194 WeakPolarHBondContact CG2-OG 3.48Å; T118-S194 PolarHBondContact OG1-OG 2.87Å
119V93.4Very high93.6Very high48 Ų4863 Ų6329%0.29132%0.323SS..Hα-helixtrans-63.1-43.1171.31790000110.2F14 M115 V116 A121 V122 Q123F14-V119 HydrophobicContact CD1-CG2 3.89Å; F14-V119 HydrophobicContact CE1-CG2 3.36Å; F14-V119 HydrophobicContact CE2-CG2 4.47Å; F14-V119 HydrophobicContact CZ-CG2 3.7Å; M115-V119 PolarHBondContact O-N 3.17Å; V116-V119 WeakPolarHBondContact O-CA 3.34Å; V116-V119 WeakPolarHBondContact O-CB 3.43Å; V116-V119 PolarHBondContact O-N 2.86Å; V119-A121 PolarHBondContact O-N 3.47Å; V119-V122 PolarHBondContact O-N 3.48Å; V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 3.22Å
120D95Very high93.5Very high90 Ų9058.1 Ų58.148%0.48132%0.318SS..Hα-helixtrans-61.5-42.9176.4-61.4-30.6000111.5V116 T118 Q123 A124V116-D120 PolarHBondContact O-N 3.15Å; T118-D120 VanDerWaalsContact C-N 3.33Å; D120-Q123 PolarHBondContact O-N 3.45Å; D120-A124 VanDerWaalsContact O-CB 3.31Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 3.42Å
121A93.6Very high93.5Very high11 Ų1156.9 Ų56.99%0.09131%0.314CS..Hα-helixtrans-65.1-39.9175.800000113G117 T118 V119 A124 L125 F187 K190G117-A121 WeakPolarHBondContact O-CB 3.01Å; G117-A121 PolarHBondContact O-N 3.4Å; G117-A121 VanDerWaalsContact O-N 3.15Å; T118-A121 PolarHBondContact O-N 3.25Å; V119-A121 PolarHBondContact O-N 3.47Å; A121-A124 PolarHBondContact O-N 3.21Å; A121-L125 WeakPolarHBondContact O-CB 3.45Å; A121-L125 PolarHBondContact O-N 3.45Å; A121-F187 HydrophobicContact CB-CB 4.39Å; A121-K190 HydrophobicContact CB-CB 4.35Å
122V92.3Very high93.6Very high9 Ų958.1 Ų58.16%0.05532%0.32CS..Hα-helixtrans-59.7-48.4173.2167.50000110.9N11 F14 T118 V119 L125 Q126 F187N11-V122 HydrophobicContact CB-CG1 4.4Å; F14-V122 HydrophobicContact CB-CG2 4.44Å; T118-V122 VanDerWaalsContact O-CG2 3.31Å; T118-V122 WeakPolarHBondContact O-CG2 3.31Å; T118-V122 PolarHBondContact O-N 3.02Å; V119-V122 PolarHBondContact O-N 3.48Å; V122-L125 PolarHBondContact O-N 2.94Å; V122-Q126 WeakPolarHBondContact O-CG 3.23Å; V122-Q126 PolarHBondContact O-N 3.47Å; V122-F187 HydrophobicContact CG2-CD2 3.82Å; V122-F187 HydrophobicContact CG2-CE2 3.68Å
123Q92.9Very high93.6Very high108 Ų10856 Ų5651%0.50531%0.312SS..Hα-helixtrans-64.8-44179-70-178.532.600111.7V119 D120 L125 Q126 V127V119-Q123 WeakPolarHBondContact O-CG 3.34Å; V119-Q123 PolarHBondContact O-N 3.22Å; D120-Q123 PolarHBondContact O-N 3.45Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 3.02Å; Q123-Q126 PolarHBondContact O-N 3.29Å; Q123-V127 WeakPolarHBondContact O-CG2 3.5Å; Q123-V127 PolarHBondContact O-N 2.91Å
124A94.2Very high93.7Very high37 Ų3757.8 Ų57.831%0.30632%0.318SS..Hα-helixtrans-58.5-43.6176.700000111.6D120 A121 V127 Q128 V183D120-A124 VanDerWaalsContact O-CB 3.31Å; D120-A124 WeakPolarHBondContact O-CB 3.41Å; D120-A124 PolarHBondContact O-N 3.42Å; A121-A124 PolarHBondContact O-N 3.21Å; A124-V127 PolarHBondContact O-N 3.24Å; A124-Q128 WeakPolarHBondContact O-CG 3.42Å; A124-Q128 PolarHBondContact O-N 3.09Å; A124-V183 HydrophobicContact CB-CG1 3.66Å
125L93.1Very high93.9Very high4 Ų454.8 Ų54.82%0.02131%0.306CS..Hα-helixtrans-66.2-42.5178.1-176.158.1000112N11 A121 V122 Q123 V127 Q128 N129 Y180 V183 F187N11-L125 VanDerWaalsContact ND2-CD2 3.34Å; N11-L125 WeakPolarHBondContact ND2-CD2 2.79Å; A121-L125 WeakPolarHBondContact O-CB 3.45Å; A121-L125 PolarHBondContact O-N 3.45Å; V122-L125 PolarHBondContact O-N 2.94Å; Q123-L125 VanDerWaalsContact C-N 3.32Å; Q123-L125 PolarHBondContact O-N 3.02Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 2.88Å; L125-Q128 PolarHBondContact O-N 2.97Å; L125-N129 WeakPolarHBondContact O-CB 3.34Å; L125-N129 PolarHBondContact O-N 3.29Å; L125-Y180 HydrophobicContact CD1-CD2 3.78Å; L125-Y180 HydrophobicContact CD1-CE2 3.41Å; L125-Y180 VanDerWaalsContact CD1-CE2 3.41Å; L125-Y180 HydrophobicContact CG-CE2 4.34Å; L125-V183 HydrophobicContact CB-CG1 4.05Å; L125-V183 HydrophobicContact CD1-CG1 4.47Å; L125-F187 HydrophobicContact CB-CB 4.35Å; L125-F187 HydrophobicContact CD2-CB 3.79Å; L125-F187 HydrophobicContact CD2-CD1 3.28Å; L125-F187 HydrophobicContact CD2-CD2 4.25Å; L125-F187 HydrophobicContact CD2-CE1 3.87Å; L125-F187 HydrophobicContact CD2-CG 3.48Å; L125-F187 VanDerWaalsContact CD2-CG 3.48Å
126Q91.3Very high94.1Very high91 Ų9158 Ų5843%0.42532%0.319SS..Hα-helixtrans-59.9-43.3174.8-73.1172.3-5.300111.7V122 Q123 N129 G130V122-Q126 WeakPolarHBondContact O-CG 3.23Å; V122-Q126 PolarHBondContact O-N 3.47Å; Q123-Q126 PolarHBondContact O-N 3.29Å; Q126-N129 PolarHBondContact O-N 3.21Å; Q126-G130 PolarHBondContact O-N 3.19Å; Q126-G130 VanDerWaalsContact O-N 3.14Å
127V94.4Very high94.2Very high78 Ų7859.2 Ų59.247%0.47332%0.32SS..Hα-helixtrans-64.4-46176.6169.90000111.8Q123 A124 L125 N129 G130 H131Q123-V127 WeakPolarHBondContact O-CG2 3.5Å; Q123-V127 PolarHBondContact O-N 2.91Å; A124-V127 PolarHBondContact O-N 3.24Å; L125-V127 VanDerWaalsContact C-N 3.34Å; L125-V127 PolarHBondContact O-N 2.88Å; V127-N129 VanDerWaalsContact C-N 3.32Å; V127-N129 PolarHBondContact O-N 3.42Å; V127-G130 PolarHBondContact O-N 3.39Å; V127-H131 PolarHBondContact O-N 2.97Å; V127-H131 VanDerWaalsContact O-N 3.12Å; V127-H131 PolarHBondContact O-ND1 2.99Å
128Q94.1Very high94.2Very high44 Ų4458.9 Ų58.921%0.20632%0.317CS..Hα-helixtrans-67.6-31.5177.4-61.4-41.2-46.600112.7A124 L125 H131 L132 Y180 V183A124-Q128 WeakPolarHBondContact O-CG 3.42Å; A124-Q128 PolarHBondContact O-N 3.09Å; L125-Q128 PolarHBondContact O-N 2.97Å; Q128-H131 PolarHBondContact O-N 2.83Å; Q128-H131 PolarHBondContact OE1-ND1 2.79Å; Q128-L132 VanDerWaalsContact O-CB 3.31Å; Q128-L132 WeakPolarHBondContact O-CB 3.36Å; Q128-L132 PolarHBondContact O-N 3.3Å; Q128-Y180 HydrophobicContact CB-CD2 4.33Å; Q128-V183 HydrophobicContact CG-CB 4.39Å; Q128-V183 HydrophobicContact CG-CG2 4.08Å
129N92.6Very high94.4Very high67 Ų6762.1 Ų62.136%0.35833%0.329SS..Hα-helixtrans-62.1-43.4173.3-163.616.8000111.5L125 Q126 V127 H131 L132 Q133 Y180L125-N129 WeakPolarHBondContact O-CB 3.34Å; L125-N129 PolarHBondContact O-N 3.29Å; Q126-N129 PolarHBondContact O-N 3.21Å; V127-N129 VanDerWaalsContact C-N 3.32Å; V127-N129 PolarHBondContact O-N 3.42Å; N129-H131 PolarHBondContact O-N 3.11Å; N129-L132 WeakPolarHBondContact O-CB 3.23Å; N129-L132 PolarHBondContact O-N 3.37Å; N129-Q133 PolarHBondContact O-N 3.23Å; N129-Y180 HydrophobicContact CB-CD2 4.26Å; N129-Y180 HydrophobicContact CB-CE2 3.84Å
130G93.5Very high94.5Very high43 Ų4364.4 Ų64.444%0.44334%0.336SS..Hα-helixtrans-60.7-41.5174.100000113.2Q126 V127 K134Q126-G130 PolarHBondContact O-N 3.19Å; Q126-G130 VanDerWaalsContact O-N 3.14Å; V127-G130 PolarHBondContact O-N 3.39Å; G130-K134 WeakPolarHBondContact O-CB 3.4Å; G130-K134 PolarHBondContact O-N 2.64Å; G130-K134 VanDerWaalsContact O-N 3.16Å
131H94.4Very high94.6Very high93 Ų9363.9 Ų63.943%0.43134%0.337SS..Hα-helixtrans-65.1-42.8173.2-64.9149.6000112.6V127 Q128 N129 K134 S135V127-H131 PolarHBondContact O-N 2.97Å; V127-H131 VanDerWaalsContact O-N 3.12Å; V127-H131 PolarHBondContact O-ND1 2.99Å; Q128-H131 PolarHBondContact O-N 2.83Å; Q128-H131 PolarHBondContact OE1-ND1 2.79Å; N129-H131 PolarHBondContact O-N 3.11Å; H131-K134 PolarHBondContact O-N 3.1Å; H131-S135 VanDerWaalsContact O-CB 3.31Å; H131-S135 WeakPolarHBondContact O-CB 3.22Å; H131-S135 PolarHBondContact O-N 2.81Å
132L95.6Very high94.7Very high26 Ų2666.4 Ų66.414%0.13635%0.346CS..Hα-helixtrans-59.9-50.9179.3179.768.5000111.5Q128 N129 S135 K136 F173 C176 I177 Y180Q128-L132 VanDerWaalsContact O-CB 3.31Å; Q128-L132 WeakPolarHBondContact O-CB 3.36Å; Q128-L132 PolarHBondContact O-N 3.3Å; N129-L132 WeakPolarHBondContact O-CB 3.23Å; N129-L132 PolarHBondContact O-N 3.37Å; L132-S135 PolarHBondContact O-N 3.15Å; L132-K136 WeakPolarHBondContact O-CB 3.47Å; L132-K136 PolarHBondContact O-N 2.9Å; L132-F173 HydrophobicContact CD1-CD2 4.12Å; L132-F173 HydrophobicContact CD1-CE2 3.6Å; L132-F173 HydrophobicContact CG-CE2 4.32Å; L132-C176 HydrophobicContact CD1-CB 3.96Å; L132-I177 HydrophobicContact CD1-CB 4.35Å; L132-I177 HydrophobicContact CD1-CG1 3.6Å; L132-Y180 HydrophobicContact CD2-CD1 3.87Å; L132-Y180 HydrophobicContact CD2-CD2 4.1Å; L132-Y180 HydrophobicContact CD2-CE1 4.33Å; L132-Y180 HydrophobicContact CD2-CG 3.74Å
133Q94.6Very high94.8Very high83 Ų8367.5 Ų67.539%0.38835%0.353SS..Hα-helixtrans-64-43.1179.9-179.660.221.100111.8N129 S135 K136 E137N129-Q133 PolarHBondContact O-N 3.23Å; Q133-S135 VanDerWaalsContact C-N 3.32Å; Q133-S135 PolarHBondContact O-N 3.27Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.85Å; Q133-E137 WeakPolarHBondContact CG-OE1 3.41Å; Q133-E137 PolarHBondContact NE2-OE1 3.37Å; Q133-E137 WeakPolarHBondContact O-CG 3.47Å; Q133-E137 PolarHBondContact O-N 2.78Å
134K96.3Very high94.9Very high160 Ų16068.3 Ų68.370%0.69636%0.36SS*.Hα-helixtrans-62.9-37.3175.7-173.2174-177.7175.70112.7G130 H131 G138G130-K134 WeakPolarHBondContact O-CB 3.4Å; G130-K134 PolarHBondContact O-N 2.64Å; G130-K134 VanDerWaalsContact O-N 3.16Å; H131-K134 PolarHBondContact O-N 3.1Å; K134-G138 PolarHBondContact O-N 2.88Å; K134-G138 VanDerWaalsContact O-N 3.07Å
135S95.6Very high94.8Very high18 Ų1868.8 Ų68.813%0.12636%0.356CS..Hα-helixtrans-70-41.1176.1-161.90000111.5H131 L132 Q133 G138 Y139 S172 F173H131-S135 VanDerWaalsContact O-CB 3.31Å; H131-S135 WeakPolarHBondContact O-CB 3.22Å; H131-S135 PolarHBondContact O-N 2.81Å; L132-S135 PolarHBondContact O-N 3.15Å; Q133-S135 VanDerWaalsContact C-N 3.32Å; Q133-S135 PolarHBondContact O-N 3.27Å; S135-G138 PolarHBondContact O-N 3.41Å; S135-Y139 PolarHBondContact O-N 2.88Å; S135-S172 PolarHBondContact OG-O 3.25Å; S135-F173 WeakPolarHBondContact OG-CA 3.39Å
136K96.6Very high94.8Very high87 Ų8769 Ų6938%0.37836%0.357SS..Hα-helixtrans-57.2-49.9173.4-175-178.6173-174.10112L132 Q133 Y139 H140 F173L132-K136 WeakPolarHBondContact O-CB 3.47Å; L132-K136 PolarHBondContact O-N 2.9Å; Q133-K136 WeakPolarHBondContact O-CB 3.45Å; Q133-K136 PolarHBondContact O-N 2.85Å; K136-Y139 PolarHBondContact O-N 3.3Å; K136-H140 PolarHBondContact O-N 3.34Å; K136-H140 PolarHBondContact O-ND1 3.07Å; K136-F173 HydrophobicContact CB-CD2 4.06Å; K136-F173 HydrophobicContact CB-CE2 3.5Å; K136-F173 HydrophobicContact CB-CZ 3.84Å; K136-F173 HydrophobicContact CD-CZ 4.29Å; K136-F173 HydrophobicContact CG-CE1 4.47Å; K136-F173 HydrophobicContact CG-CE2 4.04Å; K136-F173 HydrophobicContact CG-CZ 3.83Å
137E96.3Very high94.9Very high102 Ų10267.8 Ų67.848%0.47735%0.354SS..Hα-helixtrans-62.3-42.3177.2-72.5167.1-170.900111.9Q133 Y139 H140 T141Q133-E137 WeakPolarHBondContact CG-OE1 3.41Å; Q133-E137 PolarHBondContact NE2-OE1 3.37Å; Q133-E137 WeakPolarHBondContact O-CG 3.47Å; Q133-E137 PolarHBondContact O-N 2.78Å; E137-Y139 PolarHBondContact O-N 3.12Å; E137-H140 PolarHBondContact O-N 2.97Å; E137-T141 WeakPolarHBondContact O-CB 3.46Å; E137-T141 PolarHBondContact O-N 2.89Å; E137-T141 PolarHBondContact O-OG1 3.37Å
138G95.3Very high95Very high33 Ų3370 Ų7034%0.3435%0.354SS..Hα-helixtrans-57.8-46.7173.400000112.7K134 S135 T141 K142K134-G138 PolarHBondContact O-N 2.88Å; K134-G138 VanDerWaalsContact O-N 3.07Å; S135-G138 PolarHBondContact O-N 3.41Å; G138-T141 PolarHBondContact O-N 2.85Å; G138-K142 WeakPolarHBondContact O-CG 3.37Å; G138-K142 PolarHBondContact O-N 2.9Å
139Y97Very high94.9Very high72 Ų7269 Ų6928%0.28235%0.349SS..Hα-helixtrans-62.8-48.9175.9171-118.3000112.7S135 K136 E137 T141 K142 C143 A169 A170 F173S135-Y139 PolarHBondContact O-N 2.88Å; K136-Y139 PolarHBondContact O-N 3.3Å; E137-Y139 PolarHBondContact O-N 3.12Å; Y139-T141 VanDerWaalsContact C-N 3.28Å; Y139-T141 PolarHBondContact O-N 3.32Å; Y139-K142 PolarHBondContact O-N 3.03Å; Y139-C143 WeakPolarHBondContact CE2-SG 3.2Å; Y139-C143 PolarHBondContact O-N 2.88Å; Y139-C143 PolarHBondContact O-SG 3.35Å; Y139-C143 VanDerWaalsContact O-SG 3.41Å; Y139-A169 HydrophobicContact CD2-CB 4.25Å; Y139-A170 HydrophobicContact CD2-CB 3.84Å; Y139-A170 HydrophobicContact CE2-CB 3.55Å; Y139-F173 HydrophobicContact CD1-CD1 4.06Å
140H95.9Very high94.9Very high97 Ų9771.4 Ų71.445%0.44935%0.353SS..Hα-helixtrans-59.5-40.7178-75.364.4000111.5K136 E137 K142 C143 L144K136-H140 PolarHBondContact O-N 3.34Å; K136-H140 PolarHBondContact O-ND1 3.07Å; E137-H140 PolarHBondContact O-N 2.97Å; H140-K142 VanDerWaalsContact C-N 3.29Å; H140-K142 PolarHBondContact O-N 3.04Å; H140-C143 PolarHBondContact O-N 3.41Å; H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.9Å
141T96.8Very high94.9Very high79 Ų7978 Ų7849%0.48537%0.37SS..Hα-helixtrans-60-37.5175.7-560000112E137 G138 Y139 E145E137-T141 WeakPolarHBondContact O-CB 3.46Å; E137-T141 PolarHBondContact O-N 2.89Å; E137-T141 PolarHBondContact O-OG1 3.37Å; G138-T141 PolarHBondContact O-N 2.85Å; Y139-T141 VanDerWaalsContact C-N 3.28Å; Y139-T141 PolarHBondContact O-N 3.32Å; T141-E145 WeakPolarHBondContact O-CB 3.33Å; T141-E145 PolarHBondContact O-N 3.2Å
142K96.3Very high94.7Very high64 Ų6479 Ų7928%0.27838%0.375SS..Hα-helixtrans-77.5-29.8178.2-61.2-63.8149.6-133.50113.5G138 Y139 H140 E145 L146 K165 A169G138-K142 WeakPolarHBondContact O-CG 3.37Å; G138-K142 PolarHBondContact O-N 2.9Å; Y139-K142 PolarHBondContact O-N 3.03Å; H140-K142 VanDerWaalsContact C-N 3.29Å; H140-K142 PolarHBondContact O-N 3.04Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE2 2.87Å; K142-E145 PolarHBondContact NZ-OE2 2.9Å; K142-L146 WeakPolarHBondContact O-CB 3.47Å; K142-L146 PolarHBondContact O-N 2.55Å; K142-L146 VanDerWaalsContact O-N 3.08Å; K142-K165 HydrophobicContact CD-CB 4.29Å; K142-K165 HydrophobicContact CD-CD 4.46Å; K142-A169 HydrophobicContact CB-CB 4.46Å; K142-A169 HydrophobicContact CG-CB 4.25Å
143C93.5Very high94.4Very high31 Ų3181 Ų8121%0.20940%0.401CS..Hα-helixtrans-65-46.9168.9-63.80000111.3Y139 H140 E145 L146 D147 S166Y139-C143 WeakPolarHBondContact CE2-SG 3.2Å; Y139-C143 PolarHBondContact O-N 2.88Å; Y139-C143 PolarHBondContact O-SG 3.35Å; Y139-C143 VanDerWaalsContact O-SG 3.41Å; H140-C143 PolarHBondContact O-N 3.41Å; C143-E145 PolarHBondContact O-N 3.09Å; C143-L146 WeakPolarHBondContact O-CB 3.3Å; C143-L146 PolarHBondContact O-N 3.44Å; C143-D147 PolarHBondContact O-N 2.89Å; C143-S166 PolarHBondContact SG-OG 2.7Å; C143-S166 VanDerWaalsContact SG-OG 3.41Å
144L94.9Very high94.2Very high126 Ų12677.9 Ų77.966%0.6639%0.39SS*.Hα-helixtrans-63.9-37.7177-67.5170.5000112.4H140 R148H140-L144 WeakPolarHBondContact O-CG 3.48Å; H140-L144 PolarHBondContact O-N 2.9Å; L144-R148 VanDerWaalsContact O-CB 3.22Å; L144-R148 WeakPolarHBondContact O-CB 3.47Å; L144-R148 PolarHBondContact O-N 3.06Å
145E93.9Very high93.9Very high47 Ų4774.2 Ų74.222%0.2238%0.382CS..Hα-helixtrans-59.8-45.2172.3-175-178.7147.200111.6T141 K142 C143 L149 K165T141-E145 WeakPolarHBondContact O-CB 3.33Å; T141-E145 PolarHBondContact O-N 3.2Å; K142-E145 WeakPolarHBondContact CD-OE2 3.46Å; K142-E145 IonicContact NZ-OE2 2.87Å; K142-E145 PolarHBondContact NZ-OE2 2.9Å; C143-E145 PolarHBondContact O-N 3.09Å; E145-L149 HydrophobicContact CG-CD1 4.38Å; E145-L149 WeakPolarHBondContact O-CD1 3.48Å; E145-L149 VanDerWaalsContact O-CG 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.36Å; E145-L149 PolarHBondContact O-N 3.02Å; E145-K165 IonicContact OE1-NZ 3.13Å; E145-K165 PolarHBondContact OE1-NZ 2.66Å
146L92.5Very high93.6Very high8 Ų879.2 Ų79.24%0.04240%0.404CS..Hα-helixtrans-66.1-49.3178.7174.961.2000112.5K142 C143 R148 L149 R150 A162 E163K142-L146 WeakPolarHBondContact O-CB 3.47Å; K142-L146 PolarHBondContact O-N 2.55Å; K142-L146 VanDerWaalsContact O-N 3.08Å; C143-L146 WeakPolarHBondContact O-CB 3.3Å; C143-L146 PolarHBondContact O-N 3.44Å; L146-R148 VanDerWaalsContact C-N 3.3Å; L146-R148 PolarHBondContact O-N 3.29Å; L146-L149 PolarHBondContact O-N 3.25Å; L146-R150 WeakPolarHBondContact O-CG 3.49Å; L146-R150 PolarHBondContact O-N 2.91Å; L146-A162 HydrophobicContact CB-CB 4.29Å; L146-A162 HydrophobicContact CD1-CB 3.8Å; L146-E163 HydrophobicContact CD1-CB 4.1Å; L146-E163 HydrophobicContact CD2-CB 4.19Å; L146-E163 HydrophobicContact CD2-CG 4.36Å
147D93.3Very high93.4Very high66 Ų6683.2 Ų83.235%0.35342%0.421SS..Hα-helixtrans-71.8-25.3-177.7-70.3-23.1000112.9C143 R150 K151C143-D147 PolarHBondContact O-N 2.89Å; D147-R150 IonicContact OD1-CZ 3.83Å; D147-R150 IonicContact OD1-NH1 2.83Å; D147-R150 PolarHBondContact OD1-NH1 3.08Å; D147-K151 WeakPolarHBondContact O-CD 3.31Å; D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.36Å; D147-K151 PolarHBondContact O-N 2.9Å
148R95.3Very high93Very high125 Ų12583.4 Ų83.447%0.47242%0.422SS..Hα-helixtrans-64.9-50.7167.2-172-168.472.790.513110.8L144 L146 R150 K151 E152L144-R148 VanDerWaalsContact O-CB 3.22Å; L144-R148 WeakPolarHBondContact O-CB 3.47Å; L144-R148 PolarHBondContact O-N 3.06Å; L146-R148 VanDerWaalsContact C-N 3.3Å; L146-R148 PolarHBondContact O-N 3.29Å; R148-R150 VanDerWaalsContact C-N 3.3Å; R148-R150 PolarHBondContact O-N 3.11Å; R148-K151 PolarHBondContact O-N 3.48Å; R148-K151 VanDerWaalsContact O-N 3.09Å; R148-E152 WeakPolarHBondContact CD-OE1 3.4Å; R148-E152 HydrophobicContact CG-CG 4.49Å; R148-E152 WeakPolarHBondContact CG-OE1 3.49Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NE-OE1 3.79Å; R148-E152 IonicContact NH1-OE1 3.35Å; R148-E152 PolarHBondContact NH1-OE1 3.45Å; R148-E152 IonicContact NH1-OE2 2.79Å; R148-E152 PolarHBondContact NH1-OE2 3Å; R148-E152 IonicContact NH2-OE2 3.8Å; R148-E152 PolarHBondContact NH2-OE2 3.35Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 3.16Å
149L92.8Very high92.8Very high22 Ų2283.4 Ų83.412%0.11541%0.414CS..Hα-helixtrans-61.8-36.2179-70.8167000112.4E145 L146 E152 G153 A154 L159 A162E145-L149 HydrophobicContact CG-CD1 4.38Å; E145-L149 WeakPolarHBondContact O-CD1 3.48Å; E145-L149 VanDerWaalsContact O-CG 3.29Å; E145-L149 WeakPolarHBondContact O-CG 3.36Å; E145-L149 PolarHBondContact O-N 3.02Å; L146-L149 PolarHBondContact O-N 3.25Å; L149-E152 PolarHBondContact O-N 3.45Å; L149-G153 PolarHBondContact O-N 3.42Å; L149-A154 HydrophobicContact CB-CB 3.91Å; L149-A154 HydrophobicContact CD2-CB 3.79Å; L149-A154 HydrophobicContact CG-CB 4.45Å; L149-A154 WeakPolarHBondContact O-CB 3.48Å; L149-A154 PolarHBondContact O-N 2.85Å; L149-A154 VanDerWaalsContact O-N 3.09Å; L149-L159 HydrophobicContact CB-CD2 3.76Å; L149-A162 HydrophobicContact CD1-CB 3.74Å
150R92.4Very high92.6Very high117 Ų11784.6 Ų84.644%0.44242%0.422SS..Hα-helixtrans-60.7-42.8171.9-73.9172.7171.4154.6-4.6112.5L146 D147 R148 L159 E163L146-R150 WeakPolarHBondContact O-CG 3.49Å; L146-R150 PolarHBondContact O-N 2.91Å; D147-R150 IonicContact OD1-CZ 3.83Å; D147-R150 IonicContact OD1-NH1 2.83Å; D147-R150 PolarHBondContact OD1-NH1 3.08Å; R148-R150 VanDerWaalsContact C-N 3.3Å; R148-R150 PolarHBondContact O-N 3.11Å; R150-L159 HydrophobicContact CG-CD2 3.93Å; R150-E163 IonicContact CZ-OE1 3.99Å; R150-E163 IonicContact NH2-OE1 2.74Å; R150-E163 PolarHBondContact NH2-OE1 3.42Å
151K93.1Very high92.5Very high183 Ų18386.5 Ų86.580%0.79643%0.429SS*.Hα-helixtrans-73.9-29.4179.3-71.7168.8-176174.80113.4D147 R148 G153D147-K151 WeakPolarHBondContact O-CD 3.31Å; D147-K151 VanDerWaalsContact O-CG 3.29Å; D147-K151 WeakPolarHBondContact O-CG 3.36Å; D147-K151 PolarHBondContact O-N 2.9Å; R148-K151 PolarHBondContact O-N 3.48Å; R148-K151 VanDerWaalsContact O-N 3.09Å; K151-G153 VanDerWaalsContact C-N 3.3Å
152E91.8Very high92.3Very high113 Ų11382.8 Ų82.853%0.52841%0.407SS..THydrogen-bonded Turntrans-82.7-3178.2-71.7173.2-17100113.6R148 L149R148-E152 WeakPolarHBondContact CD-OE1 3.4Å; R148-E152 HydrophobicContact CG-CG 4.49Å; R148-E152 WeakPolarHBondContact CG-OE1 3.49Å; R148-E152 IonicContact CZ-OE1 2.66Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NE-OE1 3.79Å; R148-E152 IonicContact NH1-OE1 3.35Å; R148-E152 PolarHBondContact NH1-OE1 3.45Å; R148-E152 IonicContact NH1-OE2 2.79Å; R148-E152 PolarHBondContact NH1-OE2 3Å; R148-E152 IonicContact NH2-OE2 3.8Å; R148-E152 PolarHBondContact NH2-OE2 3.35Å; R148-E152 WeakPolarHBondContact O-CG 3.4Å; R148-E152 PolarHBondContact O-N 3.16Å; L149-E152 PolarHBondContact O-N 3.45Å
153G87.9Confident92.2Very high67 Ų6784.4 Ų84.469%0.69142%0.415SS*.THydrogen-bonded Turntrans70.131.8-179.800000113.6L149 K151L149-G153 PolarHBondContact O-N 3.42Å; K151-G153 VanDerWaalsContact C-N 3.3Å
154A90.1Very high92.3Very high18 Ų1888.8 Ų88.815%0.14944%0.436CS..  trans-60.8153.3-17700000112.7L149 L159L149-A154 HydrophobicContact CB-CB 3.91Å; L149-A154 HydrophobicContact CD2-CB 3.79Å; L149-A154 HydrophobicContact CG-CB 4.45Å; L149-A154 WeakPolarHBondContact O-CB 3.48Å; L149-A154 PolarHBondContact O-N 2.85Å; L149-A154 VanDerWaalsContact O-N 3.09Å; A154-L159 HydrophobicContact CB-CD2 4.21Å
155P91.4Very high92.3Very high83 Ų8387.1 Ų87.154%0.53942%0.424SS..  trans-57.8142-179.1-23.233.2000112.6K157 E158 L159P155-K157 PolarHBondContact O-N 3.32Å; P155-K157 VanDerWaalsContact O-N 3.08Å; P155-E158 HydrophobicContact CB-CG 4.34Å; P155-E158 HydrophobicContact CG-CG 4.46Å; P155-E158 WeakPolarHBondContact O-CA 3.35Å; P155-E158 WeakPolarHBondContact O-CB 3.45Å; P155-E158 PolarHBondContact O-N 3.13Å; P155-L159 PolarHBondContact O-N 3.33Å; P155-L159 VanDerWaalsContact O-N 3.13Å
156Q88.8Confident92.4Very high123 Ų12385.4 Ų85.458%0.57542%0.416SS*.Hα-helixtrans-46.6-44.4-178.6179.560.922.300113.6E158 L159 E160Q156-E158 PolarHBondContact O-N 3.23Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.18Å; Q156-E160 WeakPolarHBondContact CG-OE1 3.5Å; Q156-E160 PolarHBondContact NE2-OE1 2.99Å; Q156-E160 WeakPolarHBondContact O-CG 3.45Å; Q156-E160 PolarHBondContact O-N 3.23Å
157K91.1Very high92.5Very high171 Ų17191.1 Ų91.174%0.74344%0.441SS*.Hα-helixtrans-64.3-23.2178.4-172174.4-178.2176.50114P155 K161P155-K157 PolarHBondContact O-N 3.32Å; P155-K157 VanDerWaalsContact O-N 3.08Å; K157-K161 WeakPolarHBondContact O-CB 3.33Å
158E89.6Confident92.7Very high106 Ų10695.1 Ų95.150%0.49546%0.455SS..Hα-helixtrans-87-35.2174.1-57.4-157.8144.700111.9P155 Q156 K161 A162P155-E158 HydrophobicContact CB-CG 4.34Å; P155-E158 HydrophobicContact CG-CG 4.46Å; P155-E158 WeakPolarHBondContact O-CA 3.35Å; P155-E158 WeakPolarHBondContact O-CB 3.45Å; P155-E158 PolarHBondContact O-N 3.13Å; Q156-E158 PolarHBondContact O-N 3.23Å; E158-K161 PolarHBondContact O-N 2.7Å; E158-A162 WeakPolarHBondContact O-CB 3.08Å; E158-A162 PolarHBondContact O-N 3.08Å
159L89.6Confident92.6Very high33 Ų3390 Ų9017%0.17344%0.44CS..Hα-helixtrans-60.8-50.3171.3-63.8176.2000111.1L149 R150 A154 P155 Q156 K161 A162 E163L149-L159 HydrophobicContact CB-CD2 3.76Å; R150-L159 HydrophobicContact CG-CD2 3.93Å; A154-L159 HydrophobicContact CB-CD2 4.21Å; P155-L159 PolarHBondContact O-N 3.33Å; P155-L159 VanDerWaalsContact O-N 3.13Å; Q156-L159 WeakPolarHBondContact O-CB 3.49Å; Q156-L159 PolarHBondContact O-N 3.18Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.99Å; L159-A162 PolarHBondContact O-N 3.25Å; L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.11Å
160E93.5Very high92.8Very high98 Ų9890.5 Ų90.546%0.45845%0.447SS..Hα-helixtrans-57.2-39.2175.5-71.2165.1-176.100112.1Q156 E163 L164Q156-E160 WeakPolarHBondContact CG-OE1 3.5Å; Q156-E160 PolarHBondContact NE2-OE1 2.99Å; Q156-E160 WeakPolarHBondContact O-CG 3.45Å; Q156-E160 PolarHBondContact O-N 3.23Å; E160-E163 PolarHBondContact O-N 3.28Å; E160-L164 WeakPolarHBondContact O-CB 3.45Å; E160-L164 PolarHBondContact O-N 2.87Å
161K94.3Very high93Very high136 Ų13689.6 Ų89.659%0.59145%0.448SS*.Hα-helixtrans-69.8-34.7176.6-175-179.9-179.9-176.40112.5K157 E158 L159 K165K157-K161 WeakPolarHBondContact O-CB 3.33Å; E158-K161 PolarHBondContact O-N 2.7Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.99Å; K161-K165 WeakPolarHBondContact O-CG 3.39Å; K161-K165 PolarHBondContact O-N 3.05Å
162A92Very high93.1Very high2 Ų283.9 Ų83.92%0.01743%0.431CS..Hα-helixtrans-73.1-38173.900000111.9L146 L149 E158 L159 K165 S166L146-A162 HydrophobicContact CB-CB 4.29Å; L146-A162 HydrophobicContact CD1-CB 3.8Å; L149-A162 HydrophobicContact CD1-CB 3.74Å; E158-A162 WeakPolarHBondContact O-CB 3.08Å; E158-A162 PolarHBondContact O-N 3.08Å; L159-A162 PolarHBondContact O-N 3.25Å; A162-K165 WeakPolarHBondContact O-CB 3.45Å; A162-K165 PolarHBondContact O-N 2.75Å; A162-S166 PolarHBondContact O-N 3.05Å
163E94.3Very high93.4Very high97 Ų9780.4 Ų80.445%0.45341%0.414SS..Hα-helixtrans-66.9-43.4177.1-172.1151.6-117.600111.6L146 R150 L159 E160 K165 S166 K167L146-E163 HydrophobicContact CD1-CB 4.1Å; L146-E163 HydrophobicContact CD2-CB 4.19Å; L146-E163 HydrophobicContact CD2-CG 4.36Å; R150-E163 IonicContact CZ-OE1 3.99Å; R150-E163 IonicContact NH2-OE1 2.74Å; R150-E163 PolarHBondContact NH2-OE1 3.42Å; L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.11Å; E160-E163 PolarHBondContact O-N 3.28Å; E163-K165 VanDerWaalsContact C-N 3.35Å; E163-K165 PolarHBondContact O-N 3.26Å; E163-S166 PolarHBondContact O-N 3.06Å; E163-S166 VanDerWaalsContact O-N 3.14Å; E163-K167 WeakPolarHBondContact O-CB 3.31Å; E163-K167 PolarHBondContact O-N 3.33Å
164L95.8Very high93.8Very high124 Ų12479.4 Ų79.465%0.64940%0.399SS*.Hα-helixtrans-62.3-38.3173.5-174.563.3000112.6E160 K168E160-L164 WeakPolarHBondContact O-CB 3.45Å; E160-L164 PolarHBondContact O-N 2.87Å; L164-K168 WeakPolarHBondContact O-CB 3.38Å; L164-K168 PolarHBondContact O-N 3.36Å
165K95.5Very high94.1Very high91 Ų9183 Ų8340%0.39642%0.416SS..Hα-helixtrans-61.7-45.7171.3-74.2167.6178.5169.70111.3K142 E145 K161 A162 E163 K168 A169K142-K165 HydrophobicContact CD-CB 4.29Å; K142-K165 HydrophobicContact CD-CD 4.46Å; E145-K165 IonicContact OE1-NZ 3.13Å; E145-K165 PolarHBondContact OE1-NZ 2.66Å; K161-K165 WeakPolarHBondContact O-CG 3.39Å; K161-K165 PolarHBondContact O-N 3.05Å; A162-K165 WeakPolarHBondContact O-CB 3.45Å; A162-K165 PolarHBondContact O-N 2.75Å; E163-K165 VanDerWaalsContact C-N 3.35Å; E163-K165 PolarHBondContact O-N 3.26Å; K165-K168 PolarHBondContact O-N 3.11Å; K165-A169 WeakPolarHBondContact O-CB 3.29Å; K165-A169 PolarHBondContact O-N 3.5Å
166S94.6Very high94.3Very high10 Ų1080.1 Ų80.17%0.0740%0.397CS..Hα-helixtrans-64-47.1-179-170.90000111.3C143 A162 E163 K168 A169 A170C143-S166 PolarHBondContact SG-OG 2.7Å; C143-S166 VanDerWaalsContact SG-OG 3.41Å; A162-S166 PolarHBondContact O-N 3.05Å; E163-S166 PolarHBondContact O-N 3.06Å; E163-S166 VanDerWaalsContact O-N 3.14Å; S166-K168 PolarHBondContact O-N 2.93Å; S166-A169 CarbonylContact O-C 3.51Å; S166-A169 WeakPolarHBondContact O-CB 3.43Å; S166-A169 PolarHBondContact O-N 3Å; S166-A169 VanDerWaalsContact O-N 3.11Å; S166-A170 PolarHBondContact O-N 3.48Å
167K95.9Very high94.6Very high128 Ų12877.3 Ų77.356%0.55739%0.386SS*.Hα-helixtrans-57.9-47.1175.3-172.5-179.3178.4-175.70112.1E163 A169 A170 E171E163-K167 WeakPolarHBondContact O-CB 3.31Å; E163-K167 PolarHBondContact O-N 3.33Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 PolarHBondContact O-N 3.04Å; K167-A170 WeakPolarHBondContact O-CB 3.34Å; K167-A170 PolarHBondContact O-N 2.94Å; K167-A170 VanDerWaalsContact O-N 3.08Å; K167-E171 WeakPolarHBondContact CE-OE1 3.33Å; K167-E171 WeakPolarHBondContact O-CG 3.26Å; K167-E171 PolarHBondContact O-N 3.32Å
168K95.9Very high94.9Very high150 Ų15075 Ų7565%0.65238%0.377SS*.Hα-helixtrans-63.6-32.3176.6-173.3169.2-177.4171.90112.9L164 K165 S166 S172L164-K168 WeakPolarHBondContact O-CB 3.38Å; L164-K168 PolarHBondContact O-N 3.36Å; K165-K168 PolarHBondContact O-N 3.11Å; S166-K168 PolarHBondContact O-N 2.93Å; K168-S172 WeakPolarHBondContact O-CB 3.34Å; K168-S172 PolarHBondContact O-N 3.32Å; K168-S172 VanDerWaalsContact O-N 3.09Å
169A94.9Very high95.1Very high19 Ų1974.8 Ų74.816%0.15738%0.375CS..Hα-helixtrans-71.4-35.9172.300000112.2Y139 K142 K165 S166 K167 S172 F173Y139-A169 HydrophobicContact CD2-CB 4.25Å; K142-A169 HydrophobicContact CB-CB 4.46Å; K142-A169 HydrophobicContact CG-CB 4.25Å; K165-A169 WeakPolarHBondContact O-CB 3.29Å; K165-A169 PolarHBondContact O-N 3.5Å; S166-A169 CarbonylContact O-C 3.51Å; S166-A169 WeakPolarHBondContact O-CB 3.43Å; S166-A169 PolarHBondContact O-N 3Å; S166-A169 VanDerWaalsContact O-N 3.11Å; K167-A169 VanDerWaalsContact C-N 3.28Å; K167-A169 PolarHBondContact O-N 3.04Å; A169-S172 PolarHBondContact O-N 2.98Å; A169-F173 WeakPolarHBondContact O-CB 3.31Å; A169-F173 PolarHBondContact O-N 2.99Å
170A96.1Very high95.4Very high32 Ų3276.3 Ų76.326%0.26438%0.379SS..Hα-helixtrans-63.9-46173.600000111.9Y139 S166 K167 S172 F173 A174Y139-A170 HydrophobicContact CD2-CB 3.84Å; Y139-A170 HydrophobicContact CE2-CB 3.55Å; S166-A170 PolarHBondContact O-N 3.48Å; K167-A170 WeakPolarHBondContact O-CB 3.34Å; K167-A170 PolarHBondContact O-N 2.94Å; K167-A170 VanDerWaalsContact O-N 3.08Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.22Å; A170-F173 PolarHBondContact O-N 2.86Å; A170-A174 PolarHBondContact O-N 3.37Å
171E96.4Very high95.4Very high98 Ų9876.3 Ų76.346%0.45838%0.382SS..Hα-helixtrans-58.3-44173.8-69.3162.7-177.500111.1K167 F173 A174 L175K167-E171 WeakPolarHBondContact CE-OE1 3.33Å; K167-E171 WeakPolarHBondContact O-CG 3.26Å; K167-E171 PolarHBondContact O-N 3.32Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 3.43Å; E171-A174 PolarHBondContact O-N 2.96Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.43Å; E171-L175 VanDerWaalsContact O-N 3.15Å
172S95.6Very high95.4Very high63 Ų6376.8 Ų76.844%0.44138%0.38SS..Hα-helixtrans-68.7-21174.7-168.30000114.2S135 K168 A169 A170 C176S135-S172 PolarHBondContact OG-O 3.25Å; K168-S172 WeakPolarHBondContact O-CB 3.34Å; K168-S172 PolarHBondContact O-N 3.32Å; K168-S172 VanDerWaalsContact O-N 3.09Å; A169-S172 PolarHBondContact O-N 2.98Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 3.22Å; S172-C176 PolarHBondContact O-SG 3.18Å; S172-C176 VanDerWaalsContact O-SG 3.37Å
173F97.4Very high95.6Very high40 Ų4077.2 Ų77.218%0.17538%0.382CS..Hα-helixtrans-84.4-41.8175.4177.9-133.6000111.3L132 S135 K136 Y139 A169 A170 E171 L175 C176 I177L132-F173 HydrophobicContact CD1-CD2 4.12Å; L132-F173 HydrophobicContact CD1-CE2 3.6Å; L132-F173 HydrophobicContact CG-CE2 4.32Å; S135-F173 WeakPolarHBondContact OG-CA 3.39Å; K136-F173 HydrophobicContact CB-CD2 4.06Å; K136-F173 HydrophobicContact CB-CE2 3.5Å; K136-F173 HydrophobicContact CB-CZ 3.84Å; K136-F173 HydrophobicContact CD-CZ 4.29Å; K136-F173 HydrophobicContact CG-CE1 4.47Å; K136-F173 HydrophobicContact CG-CE2 4.04Å; K136-F173 HydrophobicContact CG-CZ 3.83Å; Y139-F173 HydrophobicContact CD1-CD1 4.06Å; A169-F173 WeakPolarHBondContact O-CB 3.31Å; A169-F173 PolarHBondContact O-N 2.99Å; A170-F173 PolarHBondContact O-N 2.86Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 3.43Å; F173-L175 PolarHBondContact O-N 3.06Å; F173-C176 WeakPolarHBondContact O-CA 3.48Å; F173-C176 WeakPolarHBondContact O-CB 3.41Å; F173-C176 PolarHBondContact O-N 3.22Å; F173-I177 HydrophobicContact CD1-CD1 4.28Å; F173-I177 HydrophobicContact CD2-CG1 4.44Å; F173-I177 HydrophobicContact CE1-CD1 3.96Å; F173-I177 HydrophobicContact CE2-CD1 4.19Å; F173-I177 HydrophobicContact CE2-CG1 4.11Å; F173-I177 HydrophobicContact CZ-CD1 3.91Å; F173-I177 HydrophobicContact CZ-CG1 4.27Å; F173-I177 WeakPolarHBondContact O-CG1 3.31Å; F173-I177 PolarHBondContact O-N 2.96Å
174A97Very high95.5Very high45 Ų4573.1 Ų73.137%0.37237%0.366SS..Hα-helixtrans-56.2-47172.100000112A170 E171 C176 I177 E178A170-A174 PolarHBondContact O-N 3.37Å; E171-A174 PolarHBondContact O-N 2.96Å; A174-C176 PolarHBondContact O-N 3.44Å; A174-I177 WeakPolarHBondContact O-CB 3.43Å; A174-I177 PolarHBondContact O-N 3.15Å; A174-E178 PolarHBondContact O-N 3.48Å
175L95.8Very high95.3Very high94 Ų9469.3 Ų69.349%0.49236%0.357SS..Hα-helixtrans-62.9-22.1175.1-71.3169.3000113.9E171 F173 K179E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.43Å; E171-L175 VanDerWaalsContact O-N 3.15Å; F173-L175 PolarHBondContact O-N 3.06Å; L175-K179 WeakPolarHBondContact O-CD 3.31Å; L175-K179 VanDerWaalsContact O-CG 3.27Å; L175-K179 WeakPolarHBondContact O-CG 3.49Å
176C95.5Very high95.2Very high23 Ų2369.6 Ų69.616%0.15536%0.36CS..Hα-helixtrans-80.2-37.7170.6-75.70000112L132 S172 F173 A174 K179 Y180L132-C176 HydrophobicContact CD1-CB 3.96Å; S172-C176 PolarHBondContact O-SG 3.18Å; S172-C176 VanDerWaalsContact O-SG 3.37Å; F173-C176 WeakPolarHBondContact O-CA 3.48Å; F173-C176 WeakPolarHBondContact O-CB 3.41Å; F173-C176 PolarHBondContact O-N 3.22Å; A174-C176 PolarHBondContact O-N 3.44Å; C176-K179 PolarHBondContact O-N 2.78Å; C176-Y180 WeakPolarHBondContact O-CB 3.43Å; C176-Y180 PolarHBondContact O-N 3.17Å
177I96.4Very high95.2Very high64 Ų6469.7 Ų69.733%0.32836%0.359SS..Hα-helixtrans-60.6-48.3174.9-65.1166000110.2L132 F173 A174 K179 Y180 N181L132-I177 HydrophobicContact CD1-CB 4.35Å; L132-I177 HydrophobicContact CD1-CG1 3.6Å; F173-I177 HydrophobicContact CD1-CD1 4.28Å; F173-I177 HydrophobicContact CD2-CG1 4.44Å; F173-I177 HydrophobicContact CE1-CD1 3.96Å; F173-I177 HydrophobicContact CE2-CD1 4.19Å; F173-I177 HydrophobicContact CE2-CG1 4.11Å; F173-I177 HydrophobicContact CZ-CD1 3.91Å; F173-I177 HydrophobicContact CZ-CG1 4.27Å; F173-I177 WeakPolarHBondContact O-CG1 3.31Å; F173-I177 PolarHBondContact O-N 2.96Å; A174-I177 WeakPolarHBondContact O-CB 3.43Å; A174-I177 PolarHBondContact O-N 3.15Å; I177-K179 VanDerWaalsContact C-N 3.35Å; I177-K179 PolarHBondContact O-N 3.38Å; I177-Y180 PolarHBondContact O-N 2.85Å; I177-N181 WeakPolarHBondContact O-CB 3.5Å; I177-N181 PolarHBondContact O-N 2.77Å; I177-N181 PolarHBondContact O-OD1 3.26Å
178E96.1Very high94.9Very high121 Ų12168.1 Ų68.157%0.56535%0.353SS*.Hα-helixtrans-59.3-42.8178.2-69.1175.8176.500112.8A174 R182A174-E178 PolarHBondContact O-N 3.48Å; E178-R182 PolarHBondContact O-N 2.78Å; E178-R182 VanDerWaalsContact O-N 3.14Å
179K95.3Very high94.8Very high103 Ų10366.5 Ų66.545%0.44835%0.348SS..Hα-helixtrans-68-40.8177.6-73.7174.3-175.7177.50112.2L175 C176 I177 V183L175-K179 WeakPolarHBondContact O-CD 3.31Å; L175-K179 VanDerWaalsContact O-CG 3.27Å; L175-K179 WeakPolarHBondContact O-CG 3.49Å; C176-K179 PolarHBondContact O-N 2.78Å; I177-K179 VanDerWaalsContact C-N 3.35Å; I177-K179 PolarHBondContact O-N 3.38Å; K179-V183 WeakPolarHBondContact O-CG2 3.2Å; K179-V183 PolarHBondContact O-N 2.79Å
180Y94.6Very high94.7Very high65 Ų6569.1 Ų69.126%0.25536%0.356SS..Hα-helixtrans-63.8-49.1175.6175.6-97.8000111.1L125 Q128 N129 L132 C176 I177 R182 V183 G184L125-Y180 HydrophobicContact CD1-CD2 3.78Å; L125-Y180 HydrophobicContact CD1-CE2 3.41Å; L125-Y180 VanDerWaalsContact CD1-CE2 3.41Å; L125-Y180 HydrophobicContact CG-CE2 4.34Å; Q128-Y180 HydrophobicContact CB-CD2 4.33Å; N129-Y180 HydrophobicContact CB-CD2 4.26Å; N129-Y180 HydrophobicContact CB-CE2 3.84Å; L132-Y180 HydrophobicContact CD2-CD1 3.87Å; L132-Y180 HydrophobicContact CD2-CD2 4.1Å; L132-Y180 HydrophobicContact CD2-CE1 4.33Å; L132-Y180 HydrophobicContact CD2-CG 3.74Å; C176-Y180 WeakPolarHBondContact O-CB 3.43Å; C176-Y180 PolarHBondContact O-N 3.17Å; I177-Y180 PolarHBondContact O-N 2.85Å; Y180-R182 PolarHBondContact O-N 2.99Å; Y180-V183 PolarHBondContact O-N 2.95Å; Y180-G184 PolarHBondContact O-N 2.9Å
181N94.1Very high94.5Very high98 Ų9868 Ų6852%0.52435%0.345SS..Hα-helixtrans-61-40.6-178.6-70-3000112.5I177 G184 G185I177-N181 WeakPolarHBondContact O-CB 3.5Å; I177-N181 PolarHBondContact O-N 2.77Å; I177-N181 PolarHBondContact O-OD1 3.26Å; N181-G184 PolarHBondContact O-N 2.97Å; N181-G185 PolarHBondContact O-N 2.95Å
182R95.1Very high94.3Very high145 Ų14564.8 Ų64.855%0.54733%0.334SS..Hα-helixtrans-62-50.4176.3-175.5179.964.6-103.9-2.4111.9E178 Y180 G184 G185 E186E178-R182 PolarHBondContact O-N 2.78Å; E178-R182 VanDerWaalsContact O-N 3.14Å; Y180-R182 PolarHBondContact O-N 2.99Å; R182-G184 VanDerWaalsContact C-N 3.25Å; R182-G184 PolarHBondContact O-N 2.87Å; R182-G185 PolarHBondContact O-N 3.21Å; R182-E186 PolarHBondContact O-N 3.44Å; R182-E186 VanDerWaalsContact O-N 3.14Å
183V94.9Very high94.1Very high11 Ų1165.9 Ų65.97%0.06733%0.332CS..Hα-helixtrans-67.9-28.7179.2178.40000111.3A124 L125 Q128 K179 Y180 E186 F187A124-V183 HydrophobicContact CB-CG1 3.66Å; L125-V183 HydrophobicContact CB-CG1 4.05Å; L125-V183 HydrophobicContact CD1-CG1 4.47Å; Q128-V183 HydrophobicContact CG-CB 4.39Å; Q128-V183 HydrophobicContact CG-CG2 4.08Å; K179-V183 WeakPolarHBondContact O-CG2 3.2Å; K179-V183 PolarHBondContact O-N 2.79Å; Y180-V183 PolarHBondContact O-N 2.95Å; V183-E186 PolarHBondContact O-N 3.47Å; V183-F187 WeakPolarHBondContact O-CB 3.26Å; V183-F187 PolarHBondContact O-N 3.3Å
184G92.3Very high93.9Very high12 Ų1264 Ų6412%0.12432%0.324CS..Hα-helixtrans-60.7-45.6170.300000112.5Y180 N181 R182 F187 E188Y180-G184 PolarHBondContact O-N 2.9Å; N181-G184 PolarHBondContact O-N 2.97Å; R182-G184 VanDerWaalsContact C-N 3.25Å; R182-G184 PolarHBondContact O-N 2.87Å; G184-F187 PolarHBondContact O-N 2.84Å; G184-E188 WeakPolarHBondContact O-CB 3.46Å; G184-E188 WeakPolarHBondContact O-CG 3.5Å; G184-E188 PolarHBondContact O-N 2.89Å
185G92.7Very high93.7Very high43 Ų4361.9 Ų61.944%0.44331%0.307SS..Hα-helixtrans-63.3-43.4174.700000113.3N181 R182 E188 Q189N181-G185 PolarHBondContact O-N 2.95Å; R182-G185 PolarHBondContact O-N 3.21Å; G185-E188 PolarHBondContact O-N 3.01Å; G185-Q189 PolarHBondContact O-N 2.82Å
186E93.3Very high93.6Very high98 Ų9861.2 Ų61.246%0.45830%0.301SS..Hα-helixtrans-60.6-44.1175-68.9166.3-162.500111.5R182 V183 K190R182-E186 PolarHBondContact O-N 3.44Å; R182-E186 VanDerWaalsContact O-N 3.14Å; V183-E186 PolarHBondContact O-N 3.47Å; E186-K190 WeakPolarHBondContact O-CB 3.28Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 2.94Å; E186-K190 VanDerWaalsContact O-N 3.09Å
187F93.4Very high93.6Very high12 Ų1263.1 Ų63.15%0.05331%0.305CS..Hα-helixtrans-62.6-48.6172.9159.6-101.3000112.4N11 A121 V122 L125 V183 G184 Q189 K190 M191N11-F187 HydrophobicContact CB-CE2 4.39Å; N11-F187 HydrophobicContact CB-CZ 4.25Å; A121-F187 HydrophobicContact CB-CB 4.39Å; V122-F187 HydrophobicContact CG2-CD2 3.82Å; V122-F187 HydrophobicContact CG2-CE2 3.68Å; L125-F187 HydrophobicContact CB-CB 4.35Å; L125-F187 HydrophobicContact CD2-CB 3.79Å; L125-F187 HydrophobicContact CD2-CD1 3.28Å; L125-F187 HydrophobicContact CD2-CD2 4.25Å; L125-F187 HydrophobicContact CD2-CE1 3.87Å; L125-F187 HydrophobicContact CD2-CG 3.48Å; L125-F187 VanDerWaalsContact CD2-CG 3.48Å; V183-F187 WeakPolarHBondContact O-CB 3.26Å; V183-F187 PolarHBondContact O-N 3.3Å; G184-F187 PolarHBondContact O-N 2.84Å; F187-Q189 VanDerWaalsContact C-N 3.31Å; F187-Q189 PolarHBondContact O-N 3.01Å; F187-K190 PolarHBondContact O-N 3.45Å; F187-M191 HydrophobicContact CD2-CB 4.06Å; F187-M191 HydrophobicContact CE2-CB 3.68Å; F187-M191 HydrophobicContact CE2-CG 3.86Å; F187-M191 HydrophobicContact CE2-SD 4.48Å; F187-M191 HydrophobicContact CZ-CB 4.03Å; F187-M191 HydrophobicContact CZ-CG 3.97Å; F187-M191 WeakPolarHBondContact O-CB 3.43Å; F187-M191 PolarHBondContact O-N 2.84Å
188E90.9Very high93.5Very high94 Ų9460.4 Ų60.444%0.43929%0.29SS..Hα-helixtrans-62.5-39.1-177.2-80.8-152.8-128.100111.9K7 G184 G185 S192K7-E188 IonicContact NZ-OE2 3.26Å; K7-E188 PolarHBondContact NZ-OE2 3.31Å; G184-E188 WeakPolarHBondContact O-CB 3.46Å; G184-E188 WeakPolarHBondContact O-CG 3.5Å; G184-E188 PolarHBondContact O-N 2.89Å; G185-E188 PolarHBondContact O-N 3.01Å; E188-S192 VanDerWaalsContact O-CB 3.26Å; E188-S192 WeakPolarHBondContact O-CB 3.45Å; E188-S192 PolarHBondContact O-N 3.28Å; E188-S192 VanDerWaalsContact O-N 3.1Å; E188-S192 PolarHBondContact O-OG 3.48Å
189Q92.6Very high93.5Very high116 Ų11656.1 Ų56.154%0.54227%0.27SS..Hα-helixtrans-61.3-57.1171.7-179.1-178.3-13.400110.9G185 F187 M191 S192 E193G185-Q189 PolarHBondContact O-N 2.82Å; F187-Q189 VanDerWaalsContact C-N 3.31Å; F187-Q189 PolarHBondContact O-N 3.01Å; Q189-M191 PolarHBondContact O-N 2.87Å; Q189-S192 WeakPolarHBondContact O-CB 3.29Å; Q189-S192 PolarHBondContact O-N 2.86Å; Q189-S192 VanDerWaalsContact O-N 3.12Å; Q189-E193 WeakPolarHBondContact CG-OE1 3.45Å; Q189-E193 PolarHBondContact NE2-OE1 3.25Å; Q189-E193 WeakPolarHBondContact O-CG 3.23Å; Q189-E193 PolarHBondContact O-N 3.17Å
190K93.1Very high93.5Very high75 Ų7555 Ų5533%0.32627%0.267SS..Hα-helixtrans-63.7-39.1-174.1-73.3-71.5152.3-150.90113T118 A121 E186 F187 S192 E193 S194T118-K190 HydrophobicContact CG2-CB 4.18Å; T118-K190 PolarHBondContact OG1-O 3.06Å; A121-K190 HydrophobicContact CB-CB 4.35Å; E186-K190 WeakPolarHBondContact O-CB 3.28Å; E186-K190 WeakPolarHBondContact O-CG 3.38Å; E186-K190 PolarHBondContact O-N 2.94Å; E186-K190 VanDerWaalsContact O-N 3.09Å; F187-K190 PolarHBondContact O-N 3.45Å; K190-S192 VanDerWaalsContact C-N 3.34Å; K190-E193 IonicContact NZ-OE1 2.78Å; K190-E193 IonicContact NZ-OE2 3.19Å; K190-E193 PolarHBondContact NZ-OE2 3.08Å; K190-E193 PolarHBondContact O-N 3.15Å; K190-S194 WeakPolarHBondContact O-CB 3.35Å; K190-S194 PolarHBondContact O-N 3.23Å; K190-S194 PolarHBondContact O-OG 2.72Å
191M92.8Very high93.6Very high7 Ų752.7 Ų52.73%0.03426%0.259CS..Hα-helixtrans-67.9-33.7176-173.758.4-162.800112I6 G13 F14 L17 T118 F187 Q189 A195I6-M191 HydrophobicContact CG2-CE 3.72Å; G13-M191 VanDerWaalsContact C-CE 3.47Å; F14-M191 HydrophobicContact CB-CE 4.49Å; F14-M191 HydrophobicContact CB-SD 4.04Å; F14-M191 HydrophobicContact CD2-SD 4.46Å; L17-M191 HydrophobicContact CD1-CE 4.08Å; T118-M191 HydrophobicContact CG2-CB 4.49Å; T118-M191 HydrophobicContact CG2-SD 4.34Å; F187-M191 HydrophobicContact CD2-CB 4.06Å; F187-M191 HydrophobicContact CE2-CB 3.68Å; F187-M191 HydrophobicContact CE2-CG 3.86Å; F187-M191 HydrophobicContact CE2-SD 4.48Å; F187-M191 HydrophobicContact CZ-CB 4.03Å; F187-M191 HydrophobicContact CZ-CG 3.97Å; F187-M191 WeakPolarHBondContact O-CB 3.43Å; F187-M191 PolarHBondContact O-N 2.84Å; Q189-M191 PolarHBondContact O-N 2.87Å; M191-A195 WeakPolarHBondContact O-CB 3.44Å; M191-A195 PolarHBondContact O-N 2.96Å
192S90.8Very high93.7Very high32 Ų3250 Ų5022%0.22424%0.243CC..Hα-helixtrans-68.9-46.3174.7-58.40000111.6C3 E188 Q189 K190 S194 A195 Q196C3-S192 WeakPolarHBondContact SG-CB 3.41Å; C3-S192 PolarHBondContact SG-OG 2.83Å; C3-S192 VanDerWaalsContact SG-OG 3.42Å; E188-S192 VanDerWaalsContact O-CB 3.26Å; E188-S192 WeakPolarHBondContact O-CB 3.45Å; E188-S192 PolarHBondContact O-N 3.28Å; E188-S192 VanDerWaalsContact O-N 3.1Å; E188-S192 PolarHBondContact O-OG 3.48Å; Q189-S192 WeakPolarHBondContact O-CB 3.29Å; Q189-S192 PolarHBondContact O-N 2.86Å; Q189-S192 VanDerWaalsContact O-N 3.12Å; K190-S192 VanDerWaalsContact C-N 3.34Å; S192-S194 PolarHBondContact O-N 2.95Å; S192-A195 PolarHBondContact O-N 3.46Å; S192-Q196 PolarHBondContact O-N 3.43Å
193E92.4Very high93.8Very high85 Ų8546.3 Ų46.340%0.39723%0.232SC..Hα-helixtrans-56.2-48.5173.2-69.6171-171.500111.2Q189 K190 R197Q189-E193 WeakPolarHBondContact CG-OE1 3.45Å; Q189-E193 PolarHBondContact NE2-OE1 3.25Å; Q189-E193 WeakPolarHBondContact O-CG 3.23Å; Q189-E193 PolarHBondContact O-N 3.17Å; K190-E193 IonicContact NZ-OE1 2.78Å; K190-E193 IonicContact NZ-OE2 3.19Å; K190-E193 PolarHBondContact NZ-OE2 3.08Å; K190-E193 PolarHBondContact O-N 3.15Å; E193-R197 WeakPolarHBondContact O-CB 3.42Å; E193-R197 PolarHBondContact O-N 3.35Å
194S93.7Very high93.9Very high1 Ų148.1 Ų48.11%0.00725%0.248CC..Hα-helixtrans-64.9-42.6176.9-68.20000113.6M115 T118 K190 S192 Q196 R197 F198M115-S194 VanDerWaalsContact SD-CB 3.54Å; M115-S194 PolarHBondContact SD-OG 3.27Å; T118-S194 WeakPolarHBondContact CB-OG 3.29Å; T118-S194 WeakPolarHBondContact CG2-OG 3.48Å; T118-S194 PolarHBondContact OG1-OG 2.87Å; K190-S194 WeakPolarHBondContact O-CB 3.35Å; K190-S194 PolarHBondContact O-N 3.23Å; K190-S194 PolarHBondContact O-OG 2.72Å; S192-S194 PolarHBondContact O-N 2.95Å; S194-Q196 VanDerWaalsContact C-N 3.33Å; S194-Q196 PolarHBondContact O-N 2.88Å; S194-R197 PolarHBondContact O-N 3.09Å; S194-F198 WeakPolarHBondContact O-CD2 3.39Å; S194-F198 PolarHBondContact O-N 3.48Å
195A92.6Very high94.2Very high1 Ų148 Ų481%0.00825%0.245CC..Hα-helixtrans-65.5-37.3-178.800000112.2C3 L17 M191 S192 Q199C3-A195 HydrophobicContact CB-CB 4.15Å; L17-A195 HydrophobicContact CD1-CB 3.96Å; M191-A195 WeakPolarHBondContact O-CB 3.44Å; M191-A195 PolarHBondContact O-N 2.96Å; S192-A195 PolarHBondContact O-N 3.46Å; A195-Q199 PolarHBondContact O-N 3.24Å; A195-Q199 VanDerWaalsContact O-N 3.07Å
196Q93.6Very high94.4Very high79 Ų7950.4 Ų50.437%0.36925%0.247SC..Hα-helixtrans-65.2-47.2171.5176.654.232.900111.2S192 S194 F198 Q199 E200S192-Q196 PolarHBondContact O-N 3.43Å; S194-Q196 VanDerWaalsContact C-N 3.33Å; S194-Q196 PolarHBondContact O-N 2.88Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 2.89Å; Q196-Q199 WeakPolarHBondContact O-CA 3.47Å; Q196-Q199 WeakPolarHBondContact O-CB 3.25Å; Q196-Q199 PolarHBondContact O-N 3.46Å; Q196-E200 WeakPolarHBondContact CG-OE1 3.34Å; Q196-E200 PolarHBondContact NE2-OE1 3.39Å; Q196-E200 PolarHBondContact O-N 3.32Å
197R94.3Very high94.7Very high63 Ų6353 Ų5324%0.23825%0.252CS..Hα-helixtrans-58.8-40.1177.6-173.972.4-176.490.317.6112.9T111 E114 M115 E193 S194 E200 I201T111-R197 PolarHBondContact OG1-NH2 3.39Å; E114-R197 IonicContact OE2-CZ 3.69Å; E114-R197 IonicContact OE2-NE 3.2Å; E114-R197 PolarHBondContact OE2-NE 3.26Å; E114-R197 VanDerWaalsContact OE2-NE 3.13Å; E114-R197 IonicContact OE2-NH2 2.66Å; E114-R197 PolarHBondContact OE2-NH2 3.06Å; M115-R197 HydrophobicContact CE-CB 4.34Å; M115-R197 HydrophobicContact CE-CG 3.96Å; M115-R197 HydrophobicContact SD-CB 4.45Å; M115-R197 HydrophobicContact SD-CG 4.38Å; E193-R197 WeakPolarHBondContact O-CB 3.42Å; E193-R197 PolarHBondContact O-N 3.35Å; S194-R197 PolarHBondContact O-N 3.09Å; R197-E200 IonicContact NH1-OE2 2.75Å; R197-I201 WeakPolarHBondContact O-CD1 3.32Å; R197-I201 WeakPolarHBondContact O-CG1 3.47Å; R197-I201 PolarHBondContact O-N 3.13Å
198F95.6Very high94.9Very high7 Ų756 Ų563%0.03127%0.266CS..Hα-helixtrans-68.3-37173.1-75.6-60.7000112.3F14 L17 Y18 M21 T111 M115 S194 Q196 E200 I201 E202F14-F198 HydrophobicContact CD2-CE2 4.08Å; F14-F198 AromaticContact CE2-CE2 3.71Å; F14-F198 HydrophobicContact CE2-CE2 3.71Å; F14-F198 HydrophobicContact CE2-CZ 4.06Å; F14-F198 HydrophobicContact CZ-CE2 4.26Å; F14-F198 HydrophobicContact CZ-CZ 4.16Å; L17-F198 HydrophobicContact CB-CB 4.23Å; L17-F198 HydrophobicContact CB-CD2 3.57Å; L17-F198 HydrophobicContact CB-CE2 3.98Å; L17-F198 HydrophobicContact CB-CG 3.88Å; L17-F198 HydrophobicContact CD1-CB 4.33Å; L17-F198 HydrophobicContact CD1-CD2 3.91Å; L17-F198 HydrophobicContact CD1-CG 4.49Å; L17-F198 HydrophobicContact CD2-CB 4.44Å; L17-F198 HydrophobicContact CG-CD2 4.36Å; Y18-F198 HydrophobicContact CD2-CE1 4.37Å; Y18-F198 HydrophobicContact CD2-CZ 4.23Å; M21-F198 HydrophobicContact CB-CD1 4.28Å; M21-F198 HydrophobicContact CB-CE1 4.38Å; M21-F198 HydrophobicContact CE-CE1 4.08Å; M21-F198 HydrophobicContact SD-CD1 4.11Å; M21-F198 HydrophobicContact SD-CE1 3.85Å; T111-F198 HydrophobicContact CG2-CD1 4.42Å; T111-F198 HydrophobicContact CG2-CE1 3.89Å; T111-F198 HydrophobicContact CG2-CZ 4.43Å; M115-F198 HydrophobicContact CG-CZ 4.31Å; S194-F198 WeakPolarHBondContact O-CD2 3.39Å; S194-F198 PolarHBondContact O-N 3.48Å; Q196-F198 VanDerWaalsContact C-N 3.33Å; Q196-F198 PolarHBondContact O-N 2.89Å; F198-E200 VanDerWaalsContact C-N 3.33Å; F198-E200 PolarHBondContact O-N 3.36Å; F198-I201 PolarHBondContact O-N 3.43Å; F198-E202 WeakPolarHBondContact O-CB 3.37Å; F198-E202 PolarHBondContact O-N 2.86Å
199Q95.3Very high95.3Very high31 Ų3152.5 Ų52.515%0.14525%0.25CS..Hα-helixtrans-60.2-43.8175.5-157.2-175.5-72.400111.1L2 A195 Q196 I201 E202 E203L2-Q199 HydrophobicContact CB-CB 4.47Å; L2-Q199 HydrophobicContact CD1-CB 3.64Å; L2-Q199 HydrophobicContact CD1-CG 3.76Å; L2-Q199 HydrophobicContact CG-CB 4.11Å; L2-Q199 HydrophobicContact CG-CG 3.87Å; A195-Q199 PolarHBondContact O-N 3.24Å; A195-Q199 VanDerWaalsContact O-N 3.07Å; Q196-Q199 WeakPolarHBondContact O-CA 3.47Å; Q196-Q199 WeakPolarHBondContact O-CB 3.25Å; Q196-Q199 PolarHBondContact O-N 3.46Å; Q199-I201 PolarHBondContact O-N 3.48Å; Q199-E202 PolarHBondContact O-N 3.09Å; Q199-E203 HydrophobicContact CG-CG 4.48Å; Q199-E203 PolarHBondContact NE2-OE1 3.38Å; Q199-E203 WeakPolarHBondContact O-CB 3.5Å; Q199-E203 VanDerWaalsContact O-CG 3.28Å; Q199-E203 WeakPolarHBondContact O-CG 3.2Å; Q199-E203 PolarHBondContact O-N 3.11Å
200E95.9Very high95.5Very high81 Ų8153.9 Ų53.938%0.37926%0.255SS..Hα-helixtrans-61.8-40.7177.5-69.7159.8-169.200113.1Q196 R197 F198 A204Q196-E200 WeakPolarHBondContact CG-OE1 3.34Å; Q196-E200 PolarHBondContact NE2-OE1 3.39Å; Q196-E200 PolarHBondContact O-N 3.32Å; R197-E200 IonicContact NH1-OE2 2.75Å; F198-E200 VanDerWaalsContact C-N 3.33Å; F198-E200 PolarHBondContact O-N 3.36Å; E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.14Å
201I96.3Very high95.8Very high15 Ų1554.7 Ų54.78%0.07726%0.259CS..Hα-helixtrans-66.2-45.7177.4-65.3163.8000110.4M21 V107 T111 R197 F198 Q199 A204 H205M21-I201 HydrophobicContact CG-CG2 4.03Å; M21-I201 HydrophobicContact SD-CD1 4.05Å; M21-I201 HydrophobicContact SD-CG2 4.24Å; V107-I201 HydrophobicContact CG1-CD1 4.44Å; V107-I201 HydrophobicContact CG1-CG1 4.33Å; V107-I201 HydrophobicContact CG1-CG2 4.39Å; T111-I201 HydrophobicContact CG2-CD1 3.63Å; T111-I201 VanDerWaalsContact OG1-CD1 3.28Å; T111-I201 WeakPolarHBondContact OG1-CD1 3.49Å; R197-I201 WeakPolarHBondContact O-CD1 3.32Å; R197-I201 WeakPolarHBondContact O-CG1 3.47Å; R197-I201 PolarHBondContact O-N 3.13Å; F198-I201 PolarHBondContact O-N 3.43Å; Q199-I201 PolarHBondContact O-N 3.48Å; I201-A204 PolarHBondContact O-N 3.15Å; I201-H205 WeakPolarHBondContact O-CB 3.33Å; I201-H205 PolarHBondContact O-N 3.5Å
202E96.4Very high96.1Very high42 Ų4254.7 Ų54.720%0.19626%0.26CS..Hα-helixtrans-65.1-45179.2-169.162.8-142.700111.4N20 F198 Q199 A204 H205 L206N20-E202 VanDerWaalsContact ND2-CD 3.33Å; N20-E202 PolarHBondContact ND2-OE2 3.32Å; F198-E202 WeakPolarHBondContact O-CB 3.37Å; F198-E202 PolarHBondContact O-N 2.86Å; Q199-E202 PolarHBondContact O-N 3.09Å; E202-A204 PolarHBondContact O-N 2.99Å; E202-H205 WeakPolarHBondContact O-CB 3.43Å; E202-H205 PolarHBondContact O-N 3.18Å; E202-H205 IonicContact OE1-CD2 2.67Å; E202-L206 HydrophobicContact CG-CD1 4.14Å; E202-L206 WeakPolarHBondContact O-CB 3.33Å; E202-L206 VanDerWaalsContact O-CG 3.3Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.11Å
203E96.9Very high96.4Very high67 Ų6757.3 Ų57.331%0.31327%0.27SS..Hα-helixtrans-64.7-39175.9-69.2176.3-158.900112.2Q199 R207Q199-E203 HydrophobicContact CG-CG 4.48Å; Q199-E203 PolarHBondContact NE2-OE1 3.38Å; Q199-E203 WeakPolarHBondContact O-CB 3.5Å; Q199-E203 VanDerWaalsContact O-CG 3.28Å; Q199-E203 WeakPolarHBondContact O-CG 3.2Å; Q199-E203 PolarHBondContact O-N 3.11Å; E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 WeakPolarHBondContact O-CD 3.45Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 IonicContact OE2-CZ 2.66Å; E203-R207 IonicContact OE2-NH1 2.68Å; E203-R207 PolarHBondContact OE2-NH1 3.4Å; E203-R207 IonicContact OE2-NH2 2.67Å; E203-R207 PolarHBondContact OE2-NH2 2.97Å
204A97.6Very high96.7Very high50 Ų5058.7 Ų58.741%0.41328%0.275SS..Hα-helixtrans-63.8-41173.700000111.7E200 I201 E202 R207 Q208E200-A204 WeakPolarHBondContact O-CB 3.45Å; E200-A204 PolarHBondContact O-N 3.14Å; I201-A204 PolarHBondContact O-N 3.15Å; E202-A204 PolarHBondContact O-N 2.99Å; A204-R207 PolarHBondContact O-N 3.07Å; A204-Q208 PolarHBondContact O-N 3.5Å
205H98.1Very high96.9Very high10 Ų1060.9 Ų60.95%0.04629%0.29CS..Hα-helixtrans-60.6-52.1174.3172.955.9000112G24 Y100 Q104 I201 E202 R207 Q208 M209G24-H205 WeakPolarHBondContact CA-NE2 3.4Å; G24-H205 PolarHBondContact O-CE1 2.86Å; G24-H205 PolarHBondContact O-NE2 3.4Å; Y100-H205 AromaticContact CE1-ND1 3.68Å; Y100-H205 AromaticContact CZ-ND1 3.77Å; Y100-H205 VanDerWaalsContact OH-CA 3.31Å; Y100-H205 WeakPolarHBondContact OH-CA 3.46Å; Y100-H205 WeakPolarHBondContact OH-CB 3.35Å; Y100-H205 PolarHBondContact OH-ND1 2.94Å; Q104-H205 PolarHBondContact NE2-CE1 3.16Å; Q104-H205 VanDerWaalsContact NE2-CE1 3.32Å; Q104-H205 PolarHBondContact NE2-ND1 3.23Å; I201-H205 WeakPolarHBondContact O-CB 3.33Å; I201-H205 PolarHBondContact O-N 3.5Å; E202-H205 WeakPolarHBondContact O-CB 3.43Å; E202-H205 PolarHBondContact O-N 3.18Å; E202-H205 IonicContact OE1-CD2 2.67Å; H205-R207 VanDerWaalsContact C-N 3.31Å; H205-R207 PolarHBondContact O-N 2.95Å; H205-Q208 PolarHBondContact O-N 2.98Å; H205-Q208 VanDerWaalsContact O-N 3.15Å; H205-M209 WeakPolarHBondContact CE1-CG 3.32Å; H205-M209 WeakPolarHBondContact O-CB 3.42Å; H205-M209 WeakPolarHBondContact O-CG 3.29Å; H205-M209 PolarHBondContact O-N 3.4Å
206L98Very high97.2Very high92 Ų9262.9 Ų62.948%0.48230%0.298SS..Hα-helixtrans-65-32.8-179.9-66.1173000112.5E202 K210E202-L206 HydrophobicContact CG-CD1 4.14Å; E202-L206 WeakPolarHBondContact O-CB 3.33Å; E202-L206 VanDerWaalsContact O-CG 3.3Å; E202-L206 WeakPolarHBondContact O-CG 3.41Å; E202-L206 PolarHBondContact O-N 3.11Å; L206-K210 WeakPolarHBondContact O-CB 3.3Å; L206-K210 WeakPolarHBondContact O-CD 3.49Å; L206-K210 WeakPolarHBondContact O-CG 3.44Å; L206-K210 PolarHBondContact O-N 3.04Å; L206-K210 VanDerWaalsContact O-N 3.17Å
207R98.4Very high97.4Very high154 Ų15461.6 Ų61.658%0.58130%0.297SS*.Hα-helixtrans-62.4-49.9170.2-74.7168.2-169.6119.25.9111.2E203 A204 H205 K210 Q211E203-R207 WeakPolarHBondContact O-CB 3.42Å; E203-R207 WeakPolarHBondContact O-CD 3.45Å; E203-R207 WeakPolarHBondContact O-CG 3.36Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 IonicContact OE2-CZ 2.66Å; E203-R207 IonicContact OE2-NH1 2.68Å; E203-R207 PolarHBondContact OE2-NH1 3.4Å; E203-R207 IonicContact OE2-NH2 2.67Å; E203-R207 PolarHBondContact OE2-NH2 2.97Å; A204-R207 PolarHBondContact O-N 3.07Å; H205-R207 VanDerWaalsContact C-N 3.31Å; H205-R207 PolarHBondContact O-N 2.95Å; R207-K210 PolarHBondContact O-N 3.25Å; R207-Q211 PolarHBondContact O-N 2.6Å; R207-Q211 VanDerWaalsContact O-N 3.08Å
208Q98.4Very high97.6Very high74 Ų7463.8 Ų63.835%0.34631%0.31SS..Hα-helixtrans-69.4-42.3-176.5-174.961.75.700112.6Y100 A204 H205 K210 Q211 L212Y100-Q208 HydrophobicContact CD1-CG 4.08Å; Y100-Q208 HydrophobicContact CD2-CB 4.49Å; Y100-Q208 HydrophobicContact CD2-CG 3.62Å; Y100-Q208 HydrophobicContact CE1-CB 4.47Å; Y100-Q208 HydrophobicContact CE1-CG 4.18Å; Y100-Q208 HydrophobicContact CE2-CB 4.11Å; Y100-Q208 HydrophobicContact CE2-CG 3.73Å; Y100-Q208 HydrophobicContact CG-CG 3.82Å; A204-Q208 PolarHBondContact O-N 3.5Å; H205-Q208 PolarHBondContact O-N 2.98Å; H205-Q208 VanDerWaalsContact O-N 3.15Å; Q208-K210 VanDerWaalsContact C-N 3.32Å; Q208-K210 PolarHBondContact O-N 2.66Å; Q208-Q211 WeakPolarHBondContact O-CA 3.33Å; Q208-Q211 WeakPolarHBondContact O-CB 3.44Å; Q208-Q211 PolarHBondContact O-N 2.89Å; Q208-L212 HydrophobicContact CG-CD1 4.32Å; Q208-L212 WeakPolarHBondContact O-CG 3.44Å; Q208-L212 PolarHBondContact O-N 3.08Å
209M98.4Very high97.7Very high20 Ų2064.3 Ų64.310%0.09932%0.315CS..Hα-helixtrans-59.7-41.8174.1-70.2-64.9-8000111.7A27 L31 Y100 H205 Q211 L212 I213A27-M209 HydrophobicContact CB-CE 4.33Å; A27-M209 WeakPolarHBondContact O-CE 3.21Å; L31-M209 HydrophobicContact CB-CE 3.98Å; L31-M209 HydrophobicContact CD2-CE 3.64Å; L31-M209 HydrophobicContact CD2-SD 4.05Å; L31-M209 HydrophobicContact CG-CE 4.45Å; Y100-M209 HydrophobicContact CD1-SD 4.4Å; Y100-M209 HydrophobicContact CE1-CG 4.41Å; Y100-M209 HydrophobicContact CE1-SD 4.13Å; H205-M209 WeakPolarHBondContact CE1-CG 3.32Å; H205-M209 WeakPolarHBondContact O-CB 3.42Å; H205-M209 WeakPolarHBondContact O-CG 3.29Å; H205-M209 PolarHBondContact O-N 3.4Å; M209-Q211 VanDerWaalsContact C-N 3.27Å; M209-Q211 PolarHBondContact O-N 3.14Å; M209-L212 PolarHBondContact O-N 3.22Å; M209-L212 HydrophobicContact SD-CD1 4.29Å; M209-I213 VanDerWaalsContact O-CG1 3.29Å; M209-I213 WeakPolarHBondContact O-CG1 3.15Å; M209-I213 PolarHBondContact O-N 3.49Å
210K97.7Very high97.8Very high146 Ų14664.9 Ų64.964%0.63532%0.318SS*.Hα-helixtrans-64.6-29.7173.5-74.6173.466.9173.10112.9L206 R207 Q208 K214L206-K210 WeakPolarHBondContact O-CB 3.3Å; L206-K210 WeakPolarHBondContact O-CD 3.49Å; L206-K210 WeakPolarHBondContact O-CG 3.44Å; L206-K210 PolarHBondContact O-N 3.04Å; L206-K210 VanDerWaalsContact O-N 3.17Å; R207-K210 PolarHBondContact O-N 3.25Å; Q208-K210 VanDerWaalsContact C-N 3.32Å; Q208-K210 PolarHBondContact O-N 2.66Å; K210-K214 WeakPolarHBondContact O-CG 3.34Å; K210-K214 PolarHBondContact O-N 2.92Å; K210-K214 VanDerWaalsContact O-N 3.09Å
211Q98.4Very high97.9Very high91 Ų9165.9 Ų65.943%0.42532%0.323SS..Hα-helixtrans-74.4-41.1175.2-170.960.522.600112R207 Q208 M209 I213 K214 S215R207-Q211 PolarHBondContact O-N 2.6Å; R207-Q211 VanDerWaalsContact O-N 3.08Å; Q208-Q211 WeakPolarHBondContact O-CA 3.33Å; Q208-Q211 WeakPolarHBondContact O-CB 3.44Å; Q208-Q211 PolarHBondContact O-N 2.89Å; M209-Q211 VanDerWaalsContact C-N 3.27Å; M209-Q211 PolarHBondContact O-N 3.14Å; Q211-I213 VanDerWaalsContact C-N 3.33Å; Q211-I213 PolarHBondContact O-N 2.87Å; Q211-K214 WeakPolarHBondContact O-CB 3.29Å; Q211-K214 PolarHBondContact O-N 2.97Å; Q211-K214 VanDerWaalsContact O-N 3.16Å; Q211-S215 PolarHBondContact O-N 3.25Å; Q211-S215 PolarHBondContact O-OG 2.93Å
212L98.6Very high97.9Very high8 Ų869.1 Ų69.14%0.04234%0.341CS..Hα-helixtrans-60.9-41.5173.5-67162.7000111.4L31 L93 D96 V97 Y100 Q208 M209 K214 S215 Y216L31-L212 HydrophobicContact CD2-CB 4.27Å; L93-L212 HydrophobicContact CD1-CB 4.41Å; L93-L212 HydrophobicContact CD1-CD2 3.85Å; D96-L212 HydrophobicContact CB-CD2 4.06Å; V97-L212 HydrophobicContact CG2-CB 4.35Å; V97-L212 HydrophobicContact CG2-CD1 4.11Å; V97-L212 HydrophobicContact CG2-CD2 4.01Å; V97-L212 HydrophobicContact CG2-CG 4.38Å; Y100-L212 HydrophobicContact CD1-CD1 4Å; Y100-L212 HydrophobicContact CG-CD1 4.41Å; Q208-L212 HydrophobicContact CG-CD1 4.32Å; Q208-L212 WeakPolarHBondContact O-CG 3.44Å; Q208-L212 PolarHBondContact O-N 3.08Å; M209-L212 PolarHBondContact O-N 3.22Å; M209-L212 HydrophobicContact SD-CD1 4.29Å; L212-K214 PolarHBondContact O-N 3.03Å; L212-S215 PolarHBondContact O-N 2.93Å; L212-Y216 PolarHBondContact O-N 2.8Å; L212-Y216 VanDerWaalsContact O-N 3.08Å
213I98.4Very high98Very high87 Ų8767.3 Ų67.345%0.44633%0.332SS..Hα-helixtrans-66.3-33.5174.9-67.3165.4000112.1L31 M209 Q211 Y216 S217L31-I213 HydrophobicContact CD1-CG1 4.34Å; L31-I213 HydrophobicContact CD2-CG1 4.31Å; M209-I213 VanDerWaalsContact O-CG1 3.29Å; M209-I213 WeakPolarHBondContact O-CG1 3.15Å; M209-I213 PolarHBondContact O-N 3.49Å; Q211-I213 VanDerWaalsContact C-N 3.33Å; Q211-I213 PolarHBondContact O-N 2.87Å; I213-Y216 WeakPolarHBondContact O-CB 3.34Å; I213-Y216 PolarHBondContact O-N 2.91Å; I213-S217 PolarHBondContact O-N 2.86Å; I213-S217 VanDerWaalsContact O-N 3.08Å
214K97.8Very high98Very high113 Ų11370.7 Ų70.749%0.49135%0.348SS..Hα-helixtrans-63.9-44.2171.1-78.6170.2174-175.50111.9K210 Q211 L212 Y216 S217 H218K210-K214 WeakPolarHBondContact O-CG 3.34Å; K210-K214 PolarHBondContact O-N 2.92Å; K210-K214 VanDerWaalsContact O-N 3.09Å; Q211-K214 WeakPolarHBondContact O-CB 3.29Å; Q211-K214 PolarHBondContact O-N 2.97Å; Q211-K214 VanDerWaalsContact O-N 3.16Å; L212-K214 PolarHBondContact O-N 3.03Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 2.86Å; K214-S217 WeakPolarHBondContact O-CB 3.44Å; K214-S217 PolarHBondContact O-N 2.83Å; K214-S217 VanDerWaalsContact O-N 3.11Å; K214-H218 PolarHBondContact O-N 2.97Å; K214-H218 PolarHBondContact O-ND1 2.87Å
215S98.4Very high98Very high47 Ų4773.2 Ų73.233%0.32936%0.358SS..Hα-helixtrans-61.4-37.1177.3-58.80000112.4Q211 L212 S219Q211-S215 PolarHBondContact O-N 3.25Å; Q211-S215 PolarHBondContact O-OG 2.93Å; L212-S215 PolarHBondContact O-N 2.93Å; S215-S219 WeakPolarHBondContact O-CB 3.25Å; S215-S219 PolarHBondContact O-N 3.35Å; S215-S219 PolarHBondContact O-OG 2.99Å
216Y98.7Very high98Very high43 Ų4376.4 Ų76.417%0.16937%0.373CS..Hα-helixtrans-59.3-48.5170175.6-103.1000111.8F34 V35 R38 M90 L93 L212 I213 K214 S219 I220F34-Y216 HydrophobicContact CE1-CE1 4.43Å; F34-Y216 HydrophobicContact CE1-CE2 4.45Å; F34-Y216 AromaticContact CE1-CZ 3.92Å; V35-Y216 HydrophobicContact CG1-CD2 4.46Å; V35-Y216 HydrophobicContact CG2-CD2 4.08Å; V35-Y216 HydrophobicContact CG2-CE2 4.33Å; R38-Y216 HydrophobicContact CG-CE2 4.17Å; R38-Y216 PolarHBondContact NH1-OH 3.12Å; M90-Y216 HydrophobicContact CE-CE2 4.09Å; L93-Y216 HydrophobicContact CD2-CD2 4.33Å; L93-Y216 HydrophobicContact CD2-CG 4.46Å; L212-Y216 PolarHBondContact O-N 2.8Å; L212-Y216 VanDerWaalsContact O-N 3.08Å; I213-Y216 WeakPolarHBondContact O-CB 3.34Å; I213-Y216 PolarHBondContact O-N 2.91Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 PolarHBondContact O-N 2.86Å; Y216-S219 PolarHBondContact O-N 2.81Å; Y216-I220 HydrophobicContact CD1-CD1 3.84Å; Y216-I220 HydrophobicContact CD2-CD1 4.18Å; Y216-I220 HydrophobicContact CE1-CD1 3.46Å; Y216-I220 VanDerWaalsContact CE1-CD1 3.46Å; Y216-I220 HydrophobicContact CE2-CD1 3.84Å; Y216-I220 HydrophobicContact CG-CD1 4.19Å; Y216-I220 VanDerWaalsContact CZ-CD1 3.46Å; Y216-I220 WeakPolarHBondContact O-CD1 3.35Å; Y216-I220 WeakPolarHBondContact O-CG1 3.46Å; Y216-I220 PolarHBondContact O-N 3.42Å
217S98Very high98Very high52 Ų5272.9 Ų72.936%0.36436%0.355SS..Hα-helixtrans-61.1-51.6179.5-149.60000111.9I213 K214 S219 I220 E221I213-S217 PolarHBondContact O-N 2.86Å; I213-S217 VanDerWaalsContact O-N 3.08Å; K214-S217 WeakPolarHBondContact O-CB 3.44Å; K214-S217 PolarHBondContact O-N 2.83Å; K214-S217 VanDerWaalsContact O-N 3.11Å; S217-S219 VanDerWaalsContact C-N 3.29Å; S217-S219 PolarHBondContact O-N 2.67Å; S217-I220 PolarHBondContact O-N 2.8Å; S217-E221 VanDerWaalsContact C-OE1 3.26Å; S217-E221 VanDerWaalsContact CB-OE1 3.23Å; S217-E221 WeakPolarHBondContact CB-OE1 3.44Å; S217-E221 WeakPolarHBondContact O-CG 3.48Å; S217-E221 PolarHBondContact O-N 3.4Å; S217-E221 PolarHBondContact OG-OE1 2.77Å
218H98.1Very high97.9Very high109 Ų10967.3 Ų67.351%0.50535%0.346SS..Hα-helixtrans-58.4-40.4178.5-73.161.2000111.9K214 I220 E221 D222K214-H218 PolarHBondContact O-N 2.97Å; K214-H218 PolarHBondContact O-ND1 2.87Å; H218-I220 VanDerWaalsContact C-N 3.29Å; H218-I220 PolarHBondContact O-N 3.31Å; H218-E221 PolarHBondContact O-N 2.97Å; H218-D222 WeakPolarHBondContact O-CB 3.31Å; H218-D222 VanDerWaalsContact O-CG 3.31Å; H218-D222 PolarHBondContact O-N 3.34Å
219S98.3Very high97.9Very high18 Ų1870.5 Ų70.513%0.12636%0.361CS..Hα-helixtrans-59.3-40.5177.4-61.40000112.2L86 S215 Y216 S217 T223L86-S219 VanDerWaalsContact CD1-O 3.28Å; L86-S219 WeakPolarHBondContact CD1-O 3.45Å; S215-S219 WeakPolarHBondContact O-CB 3.25Å; S215-S219 PolarHBondContact O-N 3.35Å; S215-S219 PolarHBondContact O-OG 2.99Å; Y216-S219 PolarHBondContact O-N 2.81Å; S217-S219 VanDerWaalsContact C-N 3.29Å; S217-S219 PolarHBondContact O-N 2.67Å; S219-T223 PolarHBondContact O-N 2.94Å; S219-T223 PolarHBondContact O-OG1 3.02Å
220I97.6Very high97.9Very high43 Ų4370.2 Ų70.222%0.22136%0.36CS..Hα-helixtrans-74-42.4178.6-65.6160.7000111.2L86 M90 Y216 S217 H218 T223 H224L86-I220 HydrophobicContact CD1-CG1 4.21Å; M90-I220 HydrophobicContact CE-CD1 4.23Å; M90-I220 HydrophobicContact CE-CG1 3.88Å; Y216-I220 HydrophobicContact CD1-CD1 3.84Å; Y216-I220 HydrophobicContact CD2-CD1 4.18Å; Y216-I220 HydrophobicContact CE1-CD1 3.46Å; Y216-I220 VanDerWaalsContact CE1-CD1 3.46Å; Y216-I220 HydrophobicContact CE2-CD1 3.84Å; Y216-I220 HydrophobicContact CG-CD1 4.19Å; Y216-I220 VanDerWaalsContact CZ-CD1 3.46Å; Y216-I220 WeakPolarHBondContact O-CD1 3.35Å; Y216-I220 WeakPolarHBondContact O-CG1 3.46Å; Y216-I220 PolarHBondContact O-N 3.42Å; S217-I220 PolarHBondContact O-N 2.8Å; H218-I220 VanDerWaalsContact C-N 3.29Å; H218-I220 PolarHBondContact O-N 3.31Å; I220-T223 PolarHBondContact O-N 3.04Å; I220-H224 WeakPolarHBondContact O-CB 3.41Å; I220-H224 PolarHBondContact O-N 3.43Å
221E97.6Very high98Very high103 Ų10368 Ų6848%0.48135%0.351SS..Hα-helixtrans-62.1-47.2179-71.1162.1-12700111.1S217 H218 T223 H224 V225S217-E221 VanDerWaalsContact C-OE1 3.26Å; S217-E221 VanDerWaalsContact CB-OE1 3.23Å; S217-E221 WeakPolarHBondContact CB-OE1 3.44Å; S217-E221 WeakPolarHBondContact O-CG 3.48Å; S217-E221 PolarHBondContact O-N 3.4Å; S217-E221 PolarHBondContact OG-OE1 2.77Å; H218-E221 PolarHBondContact O-N 2.97Å; E221-T223 PolarHBondContact O-N 3.49Å; E221-H224 PolarHBondContact O-N 3.1Å; E221-V225 WeakPolarHBondContact O-CG2 3.38Å; E221-V225 PolarHBondContact O-N 2.99Å; E221-V225 VanDerWaalsContact O-N 3.09Å
222D96.6Very high97.9Very high83 Ų8367.4 Ų67.444%0.44435%0.349SS..Hα-helixtrans-51.5-54.8171.8-80.8-6.8000111.9K89 H218 H224 V225 Q226K89-D222 VanDerWaalsContact NZ-CB 3.3Å; K89-D222 IonicContact NZ-OD2 3.98Å; K89-D222 PolarHBondContact NZ-OD2 3.34Å; H218-D222 WeakPolarHBondContact O-CB 3.31Å; H218-D222 VanDerWaalsContact O-CG 3.31Å; H218-D222 PolarHBondContact O-N 3.34Å; D222-H224 VanDerWaalsContact C-N 3.3Å; D222-H224 PolarHBondContact O-N 3.33Å; D222-V225 PolarHBondContact O-N 3.44Å; D222-Q226 WeakPolarHBondContact O-CG 3.28Å; D222-Q226 PolarHBondContact O-N 2.97Å; D222-Q226 VanDerWaalsContact O-N 3.08Å
223T97.4Very high97.9Very high3 Ų370 Ų702%0.01836%0.361CS..Hα-helixtrans-67.7-32.7-177.1-67.80000111.3C82 L86 S219 I220 E221 V225 Q226 V227C82-T223 HydrophobicContact CB-CG2 4.21Å; C82-T223 WeakPolarHBondContact O-CG2 3.48Å; L86-T223 HydrophobicContact CB-CG2 4Å; L86-T223 HydrophobicContact CD2-CG2 4.05Å; S219-T223 PolarHBondContact O-N 2.94Å; S219-T223 PolarHBondContact O-OG1 3.02Å; I220-T223 PolarHBondContact O-N 3.04Å; E221-T223 PolarHBondContact O-N 3.49Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.86Å; T223-Q226 PolarHBondContact O-N 2.75Å; T223-V227 HydrophobicContact CG2-CG2 4.23Å; T223-V227 WeakPolarHBondContact O-CB 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.29Å; T223-V227 PolarHBondContact O-N 3.12Å
224H96.8Very high97.9Very high138 Ų13868.3 Ų68.364%0.63935%0.35SS*.Hα-helixtrans-63.7-39.8175.3-173.161000111.9I220 E221 D222 V227 G228I220-H224 WeakPolarHBondContact O-CB 3.41Å; I220-H224 PolarHBondContact O-N 3.43Å; E221-H224 PolarHBondContact O-N 3.1Å; D222-H224 VanDerWaalsContact C-N 3.3Å; D222-H224 PolarHBondContact O-N 3.33Å; H224-V227 PolarHBondContact O-N 3.05Å; H224-G228 PolarHBondContact O-N 3.32Å
225V98.1Very high97.9Very high104 Ų10467 Ų6763%0.6335%0.345SS*.Hα-helixtrans-63.2-44172.6174.30000111.1E221 D222 T223 G228 Q229E221-V225 WeakPolarHBondContact O-CG2 3.38Å; E221-V225 PolarHBondContact O-N 2.99Å; E221-V225 VanDerWaalsContact O-N 3.09Å; D222-V225 PolarHBondContact O-N 3.44Å; T223-V225 VanDerWaalsContact C-N 3.34Å; T223-V225 PolarHBondContact O-N 2.86Å; V225-G228 PolarHBondContact O-N 2.68Å; V225-Q229 PolarHBondContact O-N 3.01Å
226Q97.9Very high97.8Very high77 Ų7769.1 Ų69.136%0.3635%0.349SS..Hα-helixtrans-61.2-45.2176.4-67.7175-1.200112.4D222 T223 G228 Q229 V230D222-Q226 WeakPolarHBondContact O-CG 3.28Å; D222-Q226 PolarHBondContact O-N 2.97Å; D222-Q226 VanDerWaalsContact O-N 3.08Å; T223-Q226 PolarHBondContact O-N 2.75Å; Q226-G228 VanDerWaalsContact C-N 3.32Å; Q226-G228 PolarHBondContact O-N 3.46Å; Q226-Q229 WeakPolarHBondContact O-CB 3.47Å; Q226-Q229 PolarHBondContact O-N 3.41Å; Q226-Q229 VanDerWaalsContact O-N 3.15Å; Q226-V230 WeakPolarHBondContact O-CG2 3.45Å; Q226-V230 PolarHBondContact O-N 2.91Å
227V98.4Very high97.7Very high18 Ų1869.7 Ų69.711%0.10936%0.355CS..Hα-helixtrans-60.5-41.1174.8165.30000111.2L79 C82 T223 H224 Q229 V230 H231L79-V227 HydrophobicContact CD2-CB 4.35Å; L79-V227 HydrophobicContact CD2-CG1 3.88Å; L79-V227 HydrophobicContact CD2-CG2 4.2Å; C82-V227 HydrophobicContact CB-CG2 3.76Å; T223-V227 HydrophobicContact CG2-CG2 4.23Å; T223-V227 WeakPolarHBondContact O-CB 3.28Å; T223-V227 WeakPolarHBondContact O-CG2 3.29Å; T223-V227 PolarHBondContact O-N 3.12Å; H224-V227 PolarHBondContact O-N 3.05Å; V227-Q229 VanDerWaalsContact C-N 3.35Å; V227-Q229 PolarHBondContact O-N 3.35Å; V227-V230 PolarHBondContact O-N 3.43Å; V227-H231 VanDerWaalsContact CG1-CE1 3.41Å; V227-H231 WeakPolarHBondContact CG1-CE1 3.35Å; V227-H231 PolarHBondContact O-N 3.41Å; V227-H231 PolarHBondContact O-ND1 3.15Å
228G96.7Very high97.5Very high37 Ų3769.9 Ų69.938%0.38135%0.354SS..Hα-helixtrans-59.3-42.6172.700000113H224 V225 Q226 H231 E232H224-G228 PolarHBondContact O-N 3.32Å; V225-G228 PolarHBondContact O-N 2.68Å; Q226-G228 VanDerWaalsContact C-N 3.32Å; Q226-G228 PolarHBondContact O-N 3.46Å; G228-H231 PolarHBondContact O-N 2.63Å; G228-E232 PolarHBondContact O-N 3.05Å; G228-E232 VanDerWaalsContact O-N 3.1Å
229Q98.5Very high97.4Very high141 Ų14170.7 Ų70.766%0.65936%0.358SS*.Hα-helixtrans-64.7-40.2176.6-170.5173.66.500112.2V225 Q226 V227 E232 E233V225-Q229 PolarHBondContact O-N 3.01Å; Q226-Q229 WeakPolarHBondContact O-CB 3.47Å; Q226-Q229 PolarHBondContact O-N 3.41Å; Q226-Q229 VanDerWaalsContact O-N 3.15Å; V227-Q229 VanDerWaalsContact C-N 3.35Å; V227-Q229 PolarHBondContact O-N 3.35Å; Q229-E232 PolarHBondContact O-N 3.39Å; Q229-E233 WeakPolarHBondContact O-CB 3.36Å; Q229-E233 PolarHBondContact O-N 3.2Å
230V98.7Very high97.1Very high14 Ų1475 Ų759%0.08538%0.38CS..Hα-helixtrans-64.8-38.5175.5176.60000111.8K78 L79 Q226 V227 F234K78-V230 HydrophobicContact CB-CB 4.47Å; K78-V230 HydrophobicContact CB-CG1 3.64Å; K78-V230 HydrophobicContact CB-CG2 3.88Å; L79-V230 HydrophobicContact CD2-CB 4.12Å; L79-V230 HydrophobicContact CD2-CG1 3.93Å; L79-V230 HydrophobicContact CG-CG1 3.84Å; Q226-V230 WeakPolarHBondContact O-CG2 3.45Å; Q226-V230 PolarHBondContact O-N 2.91Å; V227-V230 PolarHBondContact O-N 3.43Å; V230-F234 WeakPolarHBondContact O-CB 3.3Å; V230-F234 PolarHBondContact O-N 2.92Å
231H98.2Very high96.9Very high98 Ų9874.9 Ų74.945%0.45438%0.379SS..Hα-helixtrans-65.5-41.9176.1-68.4149.5000113.1V227 G228 F234 K235V227-H231 VanDerWaalsContact CG1-CE1 3.41Å; V227-H231 WeakPolarHBondContact CG1-CE1 3.35Å; V227-H231 PolarHBondContact O-N 3.41Å; V227-H231 PolarHBondContact O-ND1 3.15Å; G228-H231 PolarHBondContact O-N 2.63Å; H231-F234 PolarHBondContact O-N 3.21Å; H231-K235 PolarHBondContact O-N 3.49Å
232E98.3Very high96.6Very high79 Ų7971 Ų7137%0.36937%0.367SS..Hα-helixtrans-71.8-36177.7-179.453.6-14900111.6G228 Q229 K235 Q236G228-E232 PolarHBondContact O-N 3.05Å; G228-E232 VanDerWaalsContact O-N 3.1Å; Q229-E232 PolarHBondContact O-N 3.39Å; E232-K235 PolarHBondContact O-N 3.47Å; E232-K235 IonicContact OE1-NZ 3.62Å; E232-K235 PolarHBondContact OE1-NZ 3.39Å; E232-K235 IonicContact OE2-NZ 3.45Å; E232-K235 PolarHBondContact OE2-NZ 2.98Å; E232-Q236 WeakPolarHBondContact O-CG 3.41Å; E232-Q236 PolarHBondContact O-N 3.19Å; E232-Q236 PolarHBondContact OE1-NE2 2.93Å
233E97.9Very high96.6Very high63 Ų6372.4 Ų72.429%0.29438%0.378SS..Hα-helixtrans-62.4-42.8170.6-164.8-154.6125.300111.7K78 Q229 K235 Q236 N237K78-E233 IonicContact NZ-OE1 2.68Å; K78-E233 PolarHBondContact NZ-OE1 3.32Å; K78-E233 IonicContact NZ-OE2 2.69Å; K78-E233 PolarHBondContact NZ-OE2 3.42Å; Q229-E233 WeakPolarHBondContact O-CB 3.36Å; Q229-E233 PolarHBondContact O-N 3.2Å; E233-K235 PolarHBondContact O-N 3.33Å; E233-Q236 PolarHBondContact O-N 2.67Å; E233-N237 WeakPolarHBondContact O-CB 3.49Å; E233-N237 VanDerWaalsContact O-CG 3.27Å; E233-N237 PolarHBondContact O-N 3.17Å; E233-N237 PolarHBondContact O-ND2 3.43Å; E233-N237 VanDerWaalsContact O-ND2 3.11Å; E233-N237 PolarHBondContact OE1-ND2 3.01Å
234F98.1Very high96.4Very high51 Ų5176.5 Ų76.522%0.22440%0.4CS..Hα-helixtrans-59.1-46.5174.4169.2-99.9000111.8V71 F72 V230 H231 Q236 N237 V238V71-F234 HydrophobicContact CG1-CD2 3.79Å; V71-F234 HydrophobicContact CG1-CE2 3.87Å; F72-F234 AromaticContact CD1-CE2 3.82Å; F72-F234 HydrophobicContact CD1-CE2 3.82Å; F72-F234 AromaticContact CD1-CZ 3.86Å; F72-F234 HydrophobicContact CD1-CZ 3.86Å; F72-F234 AromaticContact CE1-CE2 3.96Å; F72-F234 HydrophobicContact CE1-CE2 3.96Å; F72-F234 AromaticContact CE1-CZ 3.51Å; F72-F234 HydrophobicContact CE1-CZ 3.51Å; F72-F234 HydrophobicContact CG-CE2 4.3Å; F72-F234 HydrophobicContact CZ-CZ 4.05Å; V230-F234 WeakPolarHBondContact O-CB 3.3Å; V230-F234 PolarHBondContact O-N 2.92Å; H231-F234 PolarHBondContact O-N 3.21Å; F234-Q236 PolarHBondContact O-N 2.97Å; F234-N237 PolarHBondContact O-N 2.87Å; F234-V238 HydrophobicContact CD2-CG2 4.35Å; F234-V238 HydrophobicContact CE1-CG2 4.08Å; F234-V238 HydrophobicContact CE2-CG2 3.86Å; F234-V238 HydrophobicContact CZ-CG2 3.69Å; F234-V238 WeakPolarHBondContact O-CG2 3.34Å; F234-V238 PolarHBondContact O-N 3.18Å
235K97.8Very high96.3Very high87 Ų8772.4 Ų72.438%0.37838%0.382SS..Hα-helixtrans-57.8-48.6175.9169.3172.5146-71.20111.5H231 E232 E233 N237 V238 E239H231-K235 PolarHBondContact O-N 3.49Å; E232-K235 PolarHBondContact O-N 3.47Å; E232-K235 IonicContact OE1-NZ 3.62Å; E232-K235 PolarHBondContact OE1-NZ 3.39Å; E232-K235 IonicContact OE2-NZ 3.45Å; E232-K235 PolarHBondContact OE2-NZ 2.98Å; E233-K235 PolarHBondContact O-N 3.33Å; K235-N237 VanDerWaalsContact C-N 3.35Å; K235-N237 PolarHBondContact O-N 3.19Å; K235-V238 PolarHBondContact O-N 2.9Å; K235-V238 VanDerWaalsContact O-N 3.16Å; K235-E239 VanDerWaalsContact CE-OE1 3.24Å; K235-E239 WeakPolarHBondContact CE-OE1 3.23Å; K235-E239 VanDerWaalsContact CG-OE1 3.26Å; K235-E239 WeakPolarHBondContact CG-OE1 3.45Å; K235-E239 IonicContact NZ-OE1 2.61Å; K235-E239 WeakPolarHBondContact O-CG 3.22Å; K235-E239 PolarHBondContact O-N 3.3Å
236Q97.4Very high96.2Very high91 Ų9168.3 Ų68.343%0.42536%0.357SS..Hα-helixtrans-62.4-39.7177.1-69.417320.100112.2E232 E233 F234 V238 E239 N240E232-Q236 WeakPolarHBondContact O-CG 3.41Å; E232-Q236 PolarHBondContact O-N 3.19Å; E232-Q236 PolarHBondContact OE1-NE2 2.93Å; E233-Q236 PolarHBondContact O-N 2.67Å; F234-Q236 PolarHBondContact O-N 2.97Å; Q236-V238 VanDerWaalsContact C-N 3.32Å; Q236-V238 PolarHBondContact O-N 2.95Å; Q236-E239 PolarHBondContact O-N 2.94Å; Q236-N240 VanDerWaalsContact O-CB 3.26Å; Q236-N240 WeakPolarHBondContact O-CB 3.41Å; Q236-N240 PolarHBondContact O-N 2.79Å; Q236-N240 PolarHBondContact O-ND2 2.6Å
237N94.9Very high96.1Very high55 Ų5569.1 Ų69.129%0.29436%0.362SS..Hα-helixtrans-64.9-33.1175-74.5-38.1000112.8V71 E233 F234 K235 I241V71-N237 HydrophobicContact CG1-CB 3.67Å; E233-N237 WeakPolarHBondContact O-CB 3.49Å; E233-N237 VanDerWaalsContact O-CG 3.27Å; E233-N237 PolarHBondContact O-N 3.17Å; E233-N237 PolarHBondContact O-ND2 3.43Å; E233-N237 VanDerWaalsContact O-ND2 3.11Å; E233-N237 PolarHBondContact OE1-ND2 3.01Å; F234-N237 PolarHBondContact O-N 2.87Å; K235-N237 VanDerWaalsContact C-N 3.35Å; K235-N237 PolarHBondContact O-N 3.19Å; N237-I241 WeakPolarHBondContact O-CG1 3.24Å; N237-I241 PolarHBondContact O-N 2.91Å
238V95.3Very high95.9Very high56 Ų5674.1 Ų74.134%0.33938%0.379SS..Hα-helixtrans-71.4-43.2172.8172.80000111.5M68 V71 F234 K235 Q236 N240 I241M68-V238 HydrophobicContact CE-CB 4.34Å; M68-V238 HydrophobicContact CE-CG1 4.18Å; M68-V238 HydrophobicContact CE-CG2 3.97Å; V71-V238 HydrophobicContact CG1-CG2 4.05Å; F234-V238 HydrophobicContact CD2-CG2 4.35Å; F234-V238 HydrophobicContact CE1-CG2 4.08Å; F234-V238 HydrophobicContact CE2-CG2 3.86Å; F234-V238 HydrophobicContact CZ-CG2 3.69Å; F234-V238 WeakPolarHBondContact O-CG2 3.34Å; F234-V238 PolarHBondContact O-N 3.18Å; K235-V238 PolarHBondContact O-N 2.9Å; K235-V238 VanDerWaalsContact O-N 3.16Å; Q236-V238 VanDerWaalsContact C-N 3.32Å; Q236-V238 PolarHBondContact O-N 2.95Å; V238-N240 PolarHBondContact O-N 2.98Å; V238-I241 PolarHBondContact O-N 3.22Å
239E94.6Very high95.7Very high125 Ų12576.1 Ų76.158%0.58438%0.378SS*.Hα-helixtrans-64.8-37177.1-71.3170.6-16600112.2K235 Q236 I241K235-E239 VanDerWaalsContact CE-OE1 3.24Å; K235-E239 WeakPolarHBondContact CE-OE1 3.23Å; K235-E239 VanDerWaalsContact CG-OE1 3.26Å; K235-E239 WeakPolarHBondContact CG-OE1 3.45Å; K235-E239 IonicContact NZ-OE1 2.61Å; K235-E239 WeakPolarHBondContact O-CG 3.22Å; K235-E239 PolarHBondContact O-N 3.3Å; Q236-E239 PolarHBondContact O-N 2.94Å; E239-I241 PolarHBondContact O-N 2.8Å
240N93.4Very high95.5Very high109 Ų10973.4 Ų73.458%0.58336%0.364SS*.Hα-helixtrans-70.5-24.5178.5-76.6-34.5000114Q236 V238 G242 I245Q236-N240 VanDerWaalsContact O-CB 3.26Å; Q236-N240 WeakPolarHBondContact O-CB 3.41Å; Q236-N240 PolarHBondContact O-N 2.79Å; Q236-N240 PolarHBondContact O-ND2 2.6Å; V238-N240 PolarHBondContact O-N 2.98Å; N240-G242 VanDerWaalsContact C-N 3.34Å; N240-G242 PolarHBondContact O-N 2.95Å; N240-I245 WeakPolarHBondContact O-CD1 3.29Å
241I92.9Very high95.3Very high40 Ų4075.5 Ų75.521%0.20538%0.383CS..SBendtrans-95.370178.5-58.5-177.2000109.4M68 V71 N237 V238 E239 L246M68-I241 HydrophobicContact SD-CB 3.93Å; M68-I241 HydrophobicContact SD-CG2 3.62Å; V71-I241 HydrophobicContact CG2-CD1 3.65Å; N237-I241 WeakPolarHBondContact O-CG1 3.24Å; N237-I241 PolarHBondContact O-N 2.91Å; V238-I241 PolarHBondContact O-N 3.22Å; E239-I241 PolarHBondContact O-N 2.8Å; I241-L246 HydrophobicContact CG2-CD1 4.26Å; I241-L246 HydrophobicContact CG2-CD2 3.45Å; I241-L246 VanDerWaalsContact CG2-CD2 3.45Å; I241-L246 HydrophobicContact CG2-CG 3.71Å
242G90.6Very high95.1Very high22 Ų2277.2 Ų77.223%0.22739%0.391CS..  trans-58.6154.9178.400000114.1N240 D244 I245 L246N240-G242 VanDerWaalsContact C-N 3.34Å; N240-G242 PolarHBondContact O-N 2.95Å; G242-D244 PolarHBondContact O-N 3.41Å; G242-I245 WeakPolarHBondContact O-CB 3.36Å; G242-I245 PolarHBondContact O-N 3.03Å; G242-L246 PolarHBondContact O-N 3.11Å
243V96.1Very high94.8Very high113 Ų11380 Ų8069%0.68540%0.404SS*.Hα-helixtrans-59.5-33.8-179.6-178.80000111.8L246 I247V243-L246 PolarHBondContact O-N 3.23Å; V243-I247 HydrophobicContact CG1-CG1 4.22Å; V243-I247 WeakPolarHBondContact O-CB 3.47Å; V243-I247 VanDerWaalsContact O-CG1 3.24Å; V243-I247 WeakPolarHBondContact O-CG1 3.38Å; V243-I247 PolarHBondContact O-N 3.08Å
244D94.8Very high94.5Very high89 Ų8983.5 Ų83.548%0.47642%0.418SS..Hα-helixtrans-65.3-38.2175.173.7-61.1000112G242 R248G242-D244 PolarHBondContact O-N 3.41Å; D244-R248 WeakPolarHBondContact O-CB 3.37Å; D244-R248 PolarHBondContact O-N 2.82Å; D244-R248 IonicContact OD2-CZ 2.82Å; D244-R248 IonicContact OD2-NH1 3.21Å; D244-R248 IonicContact OD2-NH2 3.47Å; D244-R248 PolarHBondContact OD2-NH2 3.28Å
245I94.4Very high94.1Very high51 Ų5183.6 Ų83.626%0.26243%0.433SS..Hα-helixtrans-68.8-42.2177.3-61.9172.7000110N240 G242 R248 K249N240-I245 WeakPolarHBondContact O-CD1 3.29Å; G242-I245 WeakPolarHBondContact O-CB 3.36Å; G242-I245 PolarHBondContact O-N 3.03Å; I245-R248 PolarHBondContact O-N 2.69Å; I245-K249 HydrophobicContact CG2-CD 4.19Å; I245-K249 WeakPolarHBondContact O-CB 3.32Å; I245-K249 VanDerWaalsContact O-CG 3.31Å; I245-K249 WeakPolarHBondContact O-CG 3.45Å; I245-K249 PolarHBondContact O-N 2.82Å
246L95.4Very high93.9Very high18 Ų1886.9 Ų86.99%0.09446%0.461CS..Hα-helixtrans-63.9-47.9176-69.5177.3000111.9T64 P67 M68 I241 G242 V243 K249 F250T64-L246 HydrophobicContact CG2-CB 4.02Å; T64-L246 WeakPolarHBondContact CG2-O 3.35Å; P67-L246 HydrophobicContact CB-CD2 3.94Å; P67-L246 HydrophobicContact CG-CD2 3.93Å; M68-L246 HydrophobicContact CG-CD1 4.1Å; M68-L246 HydrophobicContact CG-CD2 4.44Å; M68-L246 HydrophobicContact SD-CD1 4.11Å; M68-L246 HydrophobicContact SD-CD2 4.35Å; I241-L246 HydrophobicContact CG2-CD1 4.26Å; I241-L246 HydrophobicContact CG2-CD2 3.45Å; I241-L246 VanDerWaalsContact CG2-CD2 3.45Å; I241-L246 HydrophobicContact CG2-CG 3.71Å; G242-L246 PolarHBondContact O-N 3.11Å; V243-L246 PolarHBondContact O-N 3.23Å; L246-K249 PolarHBondContact O-N 3.19Å; L246-F250 WeakPolarHBondContact O-CB 3.39Å; L246-F250 PolarHBondContact O-N 3.33Å
247I96.1Very high93.5Very high94 Ų9485.3 Ų85.348%0.48247%0.469SS..Hα-helixtrans-63.1-41.7176.9-69.5-74.7000111.1T64 V243 F250 A251T64-I247 HydrophobicContact CG2-CD1 3.85Å; T64-I247 HydrophobicContact CG2-CG1 4.25Å; V243-I247 HydrophobicContact CG1-CG1 4.22Å; V243-I247 WeakPolarHBondContact O-CB 3.47Å; V243-I247 VanDerWaalsContact O-CG1 3.24Å; V243-I247 WeakPolarHBondContact O-CG1 3.38Å; V243-I247 PolarHBondContact O-N 3.08Å; I247-F250 PolarHBondContact O-N 2.96Å; I247-A251 WeakPolarHBondContact O-CB 3.4Å; I247-A251 PolarHBondContact O-N 2.94Å
248R94.4Very high93.2Very high123 Ų12392.8 Ų92.846%0.46450%0.499SS..Hα-helixtrans-61.3-52.2176-174.6-175.5-51.7129.419.3111.4D244 I245 F250 A251 E252D244-R248 WeakPolarHBondContact O-CB 3.37Å; D244-R248 PolarHBondContact O-N 2.82Å; D244-R248 IonicContact OD2-CZ 2.82Å; D244-R248 IonicContact OD2-NH1 3.21Å; D244-R248 IonicContact OD2-NH2 3.47Å; D244-R248 PolarHBondContact OD2-NH2 3.28Å; I245-R248 PolarHBondContact O-N 2.69Å; R248-F250 VanDerWaalsContact C-N 3.3Å; R248-F250 PolarHBondContact O-N 2.99Å; R248-A251 PolarHBondContact O-N 3.49Å; R248-A251 VanDerWaalsContact O-N 3.15Å; R248-E252 HydrophobicContact CG-CG 4.42Å; R248-E252 VanDerWaalsContact CG-OE1 3.29Å; R248-E252 WeakPolarHBondContact CG-OE1 3.47Å; R248-E252 WeakPolarHBondContact O-CB 3.24Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.37Å; R248-E252 PolarHBondContact O-N 2.93Å
249K92.2Very high92.9Very high80 Ų8099 Ų9935%0.34852%0.524SS..Hα-helixtrans-56.1-43176.8-77.2177.7177.2-178.30112I245 L246 E252 Q253I245-K249 HydrophobicContact CG2-CD 4.19Å; I245-K249 WeakPolarHBondContact O-CB 3.32Å; I245-K249 VanDerWaalsContact O-CG 3.31Å; I245-K249 WeakPolarHBondContact O-CG 3.45Å; I245-K249 PolarHBondContact O-N 2.82Å; L246-K249 PolarHBondContact O-N 3.19Å; K249-E252 PolarHBondContact O-N 2.93Å; K249-Q253 WeakPolarHBondContact O-CB 3.26Å; K249-Q253 VanDerWaalsContact O-CG 3.22Å; K249-Q253 WeakPolarHBondContact O-CG 3.34Å; K249-Q253 PolarHBondContact O-N 2.82Å
250F94.8Very high92.5Very high84 Ų84103.9 Ų103.937%0.36854%0.537SS..Hα-helixtrans-64-46.3176.4178.9-96.2000112.3T64 L246 I247 R248 E252 Q253 K254T64-F250 HydrophobicContact CG2-CB 3.92Å; T64-F250 HydrophobicContact CG2-CG 4.46Å; L246-F250 WeakPolarHBondContact O-CB 3.39Å; L246-F250 PolarHBondContact O-N 3.33Å; I247-F250 PolarHBondContact O-N 2.96Å; R248-F250 VanDerWaalsContact C-N 3.3Å; R248-F250 PolarHBondContact O-N 2.99Å; F250-E252 VanDerWaalsContact C-N 3.3Å; F250-E252 PolarHBondContact O-N 3.5Å; F250-Q253 PolarHBondContact O-N 3.19Å; F250-K254 HydrophobicContact CD2-CG 4.21Å; F250-K254 HydrophobicContact CE1-CB 4.48Å; F250-K254 HydrophobicContact CE2-CB 4.16Å; F250-K254 HydrophobicContact CE2-CG 3.89Å; F250-K254 HydrophobicContact CZ-CB 4.12Å; F250-K254 HydrophobicContact CZ-CG 4.33Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 3.48Å
251A94.1Very high92.2Very high58 Ų58105 Ų10548%0.47955%0.551SS.*Hα-helixtrans-65.6-31.117800000113.1I247 R248 G255I247-A251 WeakPolarHBondContact O-CB 3.4Å; I247-A251 PolarHBondContact O-N 2.94Å; R248-A251 PolarHBondContact O-N 3.49Å; R248-A251 VanDerWaalsContact O-N 3.15Å; A251-G255 VanDerWaalsContact O-CA 3.26Å; A251-G255 WeakPolarHBondContact O-CA 3.45Å; A251-G255 PolarHBondContact O-N 3.32Å
252E93.3Very high91.8Very high133 Ų133107.3 Ų107.362%0.62158%0.576SS**Hα-helixtrans-73.4-37.3173.7-72.6166168.100112.3R248 K249 F250R248-E252 HydrophobicContact CG-CG 4.42Å; R248-E252 VanDerWaalsContact CG-OE1 3.29Å; R248-E252 WeakPolarHBondContact CG-OE1 3.47Å; R248-E252 WeakPolarHBondContact O-CB 3.24Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.37Å; R248-E252 PolarHBondContact O-N 2.93Å; K249-E252 PolarHBondContact O-N 2.93Å; F250-E252 VanDerWaalsContact C-N 3.3Å; F250-E252 PolarHBondContact O-N 3.5Å
253Q91.9Very high91.1Very high138 Ų138112.3 Ų112.365%0.64561%0.608SS**Hα-helixtrans-84-25.1-179.2-71.8175.5-3.100114.8K249 F250K249-Q253 WeakPolarHBondContact O-CB 3.26Å; K249-Q253 VanDerWaalsContact O-CG 3.22Å; K249-Q253 WeakPolarHBondContact O-CG 3.34Å; K249-Q253 PolarHBondContact O-N 2.82Å; F250-Q253 PolarHBondContact O-N 3.19Å
254K92.3Very high90.2Very high136 Ų136113.6 Ų113.659%0.59162%0.615SS**Hα-helixtrans-130.88.2-171.9-58.5-64.1173.5-169.40114.1F250 T256F250-K254 HydrophobicContact CD2-CG 4.21Å; F250-K254 HydrophobicContact CE1-CB 4.48Å; F250-K254 HydrophobicContact CE2-CB 4.16Å; F250-K254 HydrophobicContact CE2-CG 3.89Å; F250-K254 HydrophobicContact CZ-CB 4.12Å; F250-K254 HydrophobicContact CZ-CG 4.33Å; F250-K254 WeakPolarHBondContact O-CB 3.41Å; F250-K254 PolarHBondContact O-N 3.48Å; K254-T256 PolarHBondContact O-N 3.4Å
255G89.8Confident89.5Confident53 Ų53112.1 Ų112.155%0.54662%0.621SS.*  trans-64.9128.9175.300000112.1A251 G257A251-G255 VanDerWaalsContact O-CA 3.26Å; A251-G255 WeakPolarHBondContact O-CA 3.45Å; A251-G255 PolarHBondContact O-N 3.32Å; G255-G257 VanDerWaalsContact C-N 3.32Å
256T93.4Very high88.5Confident157 Ų157118.5 Ų118.596%0.96365%0.647SS**  trans-80.6-11.4-17949.80000114K254K254-T256 PolarHBondContact O-N 3.4Å
257G89Confident87.3Confident58 Ų58126.5 Ų126.560%0.59868%0.684SS**  trans159161-179.200000111.1G255G255-G257 VanDerWaalsContact C-N 3.32Å
258K88.7Confident85.8Confident211 Ų211129.4 Ų129.492%0.91770%0.696SS**SBendtrans-106.8-15.5169.8-68.6-177.6-179.4176.20112.8
259E89.1Confident83.8Confident187 Ų187133.3 Ų133.387%0.87471%0.712SS**SBendtrans-72.9140.4173.9-61.6-172.8164.900110
260R84.9Confident82.3Confident227 Ų227137.7 Ų137.786%0.85774%0.736SS**PPolyproline II helixtrans-88150.9171.5-64.4179.5179.8177.3-0.7108.4A262R260-A262 PolarHBondContact O-N 3.44Å
261P88.6Confident79.8Confident133 Ų133137.2 Ų137.286%0.86475%0.747SS**PPolyproline II helixtrans-48.9128.5169.2-26.635.1000110.4
262A84.1Confident77.5Confident89 Ų89138.7 Ų138.774%0.73676%0.759SS**PPolyproline II helixtrans-61.8145.5-177.800000110.7R260 V264R260-A262 PolarHBondContact O-N 3.44Å; A262-V264 PolarHBondContact O-N 3.16Å; A262-V264 VanDerWaalsContact O-N 3.13Å
263S76.9Confident75Confident127 Ų127140.7 Ų140.789%0.88877%0.773SS**  trans-70.3110.7174.3-172.60000108.9G265S263-G265 PolarHBondContact O-N 3.42Å
264V76.9Confident72.5Confident140 Ų140140 Ų14085%0.84878%0.779SS**  trans-73.2112.7177.7-178.10000108.6A262A262-V264 PolarHBondContact O-N 3.16Å; A262-V264 VanDerWaalsContact O-N 3.13Å
265G78.3Confident70.6Confident58 Ų58139 Ų13960%0.59879%0.786SS**  trans-79.4168.5168.600000111.8S263 E267S263-G265 PolarHBondContact O-N 3.42Å; G265-E267 PolarHBondContact O-N 3.25Å
266F75Confident67.8Low184 Ų184145 Ų14581%0.80780%0.8SS**  trans-71121.2166.6177.5-99.7000109.2E268F266-E268 HydrophobicContact CD1-CB 4.36Å; F266-E268 HydrophobicContact CE1-CB 3.95Å; F266-E268 HydrophobicContact CE1-CG 4.18Å
267E69.7Low65.1Low186 Ų186140.2 Ų140.287%0.86978%0.782SS**  trans-97.1110178.2-165.8165.9-131.100108.8G265G265-E267 PolarHBondContact O-N 3.25Å
268E64.4Low62.5Low155 Ų155141 Ų14172%0.72479%0.791SS**  trans-78.1134.2-170.9-171165.1-137.800112.1F266 M270F266-E268 HydrophobicContact CD1-CB 4.36Å; F266-E268 HydrophobicContact CE1-CB 3.95Å; F266-E268 HydrophobicContact CE1-CG 4.18Å; E268-M270 PolarHBondContact O-N 2.86Å
269Y53.1Low60.2Low206 Ų206141 Ų14181%0.80879%0.79SS**  trans-74.291.9-171.7-177.8-98.7000112.3A271Y269-A271 HydrophobicContact CD1-CB 4.47Å; Y269-A271 HydrophobicContact CE1-CB 4.05Å; Y269-A271 PolarHBondContact O-N 3.44Å; Y269-A271 VanDerWaalsContact O-N 3.11Å
270M59.7Low57.8Low172 Ų172141.8 Ų141.885%0.84779%0.791SS**  trans-72.996.6171.4-76.4-69.9-72.200111.2E268E268-M270 PolarHBondContact O-N 2.86Å
271A42.6Very low55.6Low74 Ų74137.2 Ų137.261%0.61279%0.79SS**  trans-63.2135.2171.400000111.2Y269Y269-A271 HydrophobicContact CD1-CB 4.47Å; Y269-A271 HydrophobicContact CE1-CB 4.05Å; Y269-A271 PolarHBondContact O-N 3.44Å; Y269-A271 VanDerWaalsContact O-N 3.11Å
272A46.7Very low53.4Low88 Ų88141 Ų14173%0.72779%0.788SS**  trans-80.4147.7-16800000114.5
273L40Very low51.2Low176 Ų176141.3 Ų141.392%0.92179%0.79SS**  trans-122.3130.7158.1-73.1175.2000110
274T39Very low49.6Very low124 Ų124143.7 Ų143.776%0.76179%0.785SS**  trans-140.7172.8178.349.40000107
275P52.4Low47.5Very low115 Ų115141.3 Ų141.375%0.74778%0.78SS**  cis-98.7-154.9345.2-37.2000110.8
276E32.1Very low45.8Very low177 Ų177148.7 Ų148.783%0.82780%0.796SS**  cis-145.4-165.59-136-45.787.300111.3
277G35.4Very low43.8Very low58 Ų58151 Ų15160%0.59880%0.799SS**  trans-82.9170.7-164.900000116.6
278G34.8Very low42.9Very low75 Ų75150 Ų15077%0.77380%0.798SS**  cis130.3109.1-2.200000113.5
279K40.9Very low41.5Very low210 Ų210148.6 Ų148.691%0.91380%0.802SS**  trans-129.7129.1158.2-71.7-173.5178.2175.60108.5
280K38.4Very low40.6Very low204 Ų204142.5 Ų142.589%0.88780%0.802SS**PPolyproline II helixtrans-82.4125.1-158.9-58172.6-177.9177.70112.2
281P38.1Very low39.5Very low130 Ų130142.6 Ų142.684%0.84481%0.805SS**PPolyproline II helixtrans-69.4131.2152.830-30.7000108.7
282R43.5Very low39.1Very low213 Ų213141.9 Ų141.980%0.80481%0.805SS**PPolyproline II helixtrans-84.6119.5-170.7178.8177.6-179.7168.22111.1K284R282-K284 PolarHBondContact O-N 2.95Å
283A38Very low38.4Very low96 Ų96146.7 Ų146.779%0.79381%0.809SS**PPolyproline II helixtrans-54.5132.7172.300000111.8
284K42.1Very low37.9Very low176 Ų176147.5 Ų147.577%0.76580%0.8SS**  trans-142.2128.7164.3-79.2-165.1175.2-178.30111.1R282R282-K284 PolarHBondContact O-N 2.95Å
285A32.7Very low37.6Very low90 Ų90146.2 Ų146.274%0.74479%0.789SS**  trans-21.4158.2167.600000119.7R287A285-R287 PolarHBondContact O-N 3.25Å
286F42.3Very low36.6Very low214 Ų214150.9 Ų150.994%0.93980%0.797SS**  trans-28.3124.1153.5-93-109.1000112.8
287R34.3Very low36.7Very low233 Ų233150.2 Ų150.288%0.87979%0.794SS**  trans-142136.4160.4-88.1-162.6168.6-160.2-4.7111.1A285 P289A285-R287 PolarHBondContact O-N 3.25Å; R287-P289 WeakPolarHBondContact O-CD 3.39Å
288I49.8Very low37.4Very low164 Ų164152.6 Ų152.684%0.84180%0.799SS**  trans-66.4126.4172.8-58.6162.9000109.3
289P35.1Very low37.1Very low126 Ų126155.2 Ų155.282%0.81880%0.795SS**  trans-89.1131.1159.3-1.121.5000109.4R287R287-P289 WeakPolarHBondContact O-CD 3.39Å
290G35.4Very low36.5Very low78 Ų78149.7 Ų149.780%0.80478%0.783SS**  trans155.713172.300000120.1
291L35.5Very low36.1Very low173 Ų173144.9 Ų144.991%0.90677%0.771SS**  trans-135.1106179.6-137.3171.2000112.9
292G33.9Very low35.7Very low59 Ų59146.4 Ų146.461%0.60877%0.767SS**  trans162.199.7-179.800000109.1
293K32.7Very low35.1Very low189 Ų189142.7 Ų142.782%0.82276%0.762SS**  61.9132.885.2-66.4-179.1-178.7-174.70112.4
294R29.9Very low34.8Very low194 Ų194145 Ų14573%0.73276%0.76SS**  cis-163178-4.3-124.416761.61279.4105.9
295D31.6Very low34.2Very low97 Ų97143 Ų14352%0.51976%0.757SS.*  cis-158138.819.7-112.8-45.8000111.3
296K32.9Very low34Very low212 Ų212144.8 Ų144.892%0.92276%0.759SS**  179.6147.9124.8-100.6177.9178.3-176.20113.6
297E32.9Very low33.4Very low163 Ų163138.4 Ų138.476%0.76275%0.746SS**  trans-126.8-173.4-163.6-108.9-179.9-17700110.2
298P51.3Low33.2Very low108 Ų108134.9 Ų134.970%0.70175%0.745SS**  cis-127-169.97.647.2-31.6000112.9
299D26.7Very low32.4Very low131 Ų131132 Ų13270%0.70174%0.739SS**  cis-155.1164.45.3-146.3-48.8000112.1
300S29.2Very low32.5Very low94 Ų94131.9 Ų131.966%0.65774%0.738SS**  trans69.2132145.3-700000122.4
301T31Very low32.5Very low102 Ų102135.8 Ų135.863%0.62674%0.74SS**  cis-169.1134-23.99.60000110.3
302H29.3Very low32.5Very low163 Ų163136.4 Ų136.476%0.75574%0.738SS**  trans56.5157.6148.7-63.8-40.1000120.4
303L30.6Very low33.2Very low135 Ų135138.7 Ų138.771%0.70774%0.74SS**  cis-172.6170.7-13.4-100.7174.6000105.3
304L31.9Very low34.2Very low143 Ų143134.3 Ų134.375%0.74973%0.726SS**  cis-159.7177.11.8-95.9158.5000104.1
305N28.1Very low35.1Very low134 Ų134133.7 Ų133.772%0.71774%0.737SS**  cis-177.8-176-23-176.327.8000108.8
306V28.5Very low36.3Very low129 Ų129137.4 Ų137.478%0.78275%0.751SS**  trans82.5150.3164.5-168.20000116.4
307A31Very low37.2Very low80 Ų80129.8 Ų129.866%0.66173%0.732SS**  trans-151.7168.2-17400000110.7
308N30.3Very low37.6Very low159 Ų159130.1 Ų130.185%0.8573%0.732SS**  trans-173.8142142.7-97.5-21.9000114.6
309S32.1Very low37.7Very low104 Ų104129.5 Ų129.573%0.72773%0.725SS**  trans22.5151.9152.647.10000124.5
310P36.6Very low38.1Very low123 Ų123131 Ų13180%0.79973%0.732SS**PPolyproline II helixtrans-83.2166.517937.2-37.5000114.2
311L35.8Very low38.6Very low160 Ų160137.7 Ų137.784%0.83874%0.743SS**PPolyproline II helixtrans-99.2147167.5-76.9163.6000110.9
312E36.8Very low38.6Very low186 Ų186137.9 Ų137.987%0.86975%0.754SS**PPolyproline II helixtrans-83.1158.2176.9-65.1176.6134.500111.8
313V48.1Very low38.6Very low106 Ų106137.2 Ų137.264%0.64276%0.757SS**  trans-118.5144.7168.8-89.90000108.2V319V313-V319 HydrophobicContact CG1-CG2 3.45Å; V313-V319 VanDerWaalsContact CG1-CG2 3.45Å
314D53.3Low38.5Very low98 Ų98136.4 Ų136.452%0.52476%0.762SS.*  trans-82.1166.9172.858.611.5000112.1E316 G317 F318D314-E316 PolarHBondContact O-N 2.86Å; D314-G317 PolarHBondContact O-N 3.49Å; D314-G317 PolarHBondContact OD1-N 2.92Å; D314-F318 PolarHBondContact OD1-N 3.11Å
315D49.8Very low38.4Very low181 Ų181135.7 Ų135.797%0.96876%0.764SS**THydrogen-bonded Turntrans-68.3-2.8-175.4-70.2-53.8000114.1
316E56.6Low38.5Very low175 Ų175136.7 Ų136.782%0.81876%0.764SS**THydrogen-bonded Turntrans-110.6-6.9173.1-62.3-169.5175.500113.4D314 F318D314-E316 PolarHBondContact O-N 2.86Å; E316-F318 WeakPolarHBondContact O-CD2 3.43Å
317G51.7Low38.4Very low51 Ų51136.9 Ų136.953%0.52676%0.761SS.*  trans92.826.7153.900000117.3D314D314-G317 PolarHBondContact O-N 3.49Å; D314-G317 PolarHBondContact OD1-N 2.92Å
318F41.7Very low38.1Very low171 Ų171140.5 Ų140.575%0.7577%0.769SS**  trans-123.8129.3-178.6-70.8-86.6000113.6D314 E316D314-F318 PolarHBondContact OD1-N 3.11Å; E316-F318 WeakPolarHBondContact O-CD2 3.43Å
319V52.4Low38.4Very low94 Ų94140.2 Ų140.257%0.5777%0.766SS**PPolyproline II helixtrans-100124.9177.3-176.80000110.9V313V313-V319 HydrophobicContact CG1-CG2 3.45Å; V313-V319 VanDerWaalsContact CG1-CG2 3.45Å
320I34.3Very low38.2Very low164 Ų164141.9 Ų141.984%0.84177%0.766SS**PPolyproline II helixtrans-78.6142.3175.9-60.5177.2000110.1
321R40.7Very low37.6Very low234 Ų234143.4 Ų143.488%0.88376%0.76SS**PPolyproline II helixtrans-89.8159-178.5-54.3-176.9-166.3165.54.4112.8
322A30Very low37.2Very low105 Ų105144.6 Ų144.687%0.86876%0.759SS**  trans-125159147.800000108.9
323D30.9Very low37.1Very low150 Ų150140.2 Ų140.280%0.80275%0.747SS**  trans-133.5140.8-169.6-169.29.4000110.6
324S28.5Very low36Very low118 Ų118142.6 Ų142.683%0.82575%0.751SS**  trans-173.3150.7167.7-85.30000112.9
325T29.7Very low34.7Very low127 Ų127149.7 Ų149.778%0.77977%0.77SS**  trans-98.1168.4-170.946.30000114.2
326Q29.3Very low33.5Very low156 Ų156146.5 Ų146.573%0.72976%0.761SS**  117.6120.7128.8-162165.53.800117.9
327N27.3Very low32.1Very low132 Ų132143 Ų14371%0.70676%0.756SS**  trans55.3142.1155.6-61.34.5000118.4
328D23.6Very low30.9Very low157 Ų157146.7 Ų146.784%0.8476%0.759SS**  -151172.350.5-127.8-20.8000115.7
329I37Very low30.4Very low152 Ų152145.6 Ų145.678%0.77975%0.754SS**  trans-109.4150.8178-66.9168.9000109.7
330L28.4Very low29.4Very low140 Ų140148 Ų14873%0.73376%0.759SS**  trans-169.3149.9143.6-108.4176.3000115.4
331F23.5Very low29.1Very low155 Ų155146.1 Ų146.168%0.6875%0.751SS**  trans58.9133.9170.2-64.8-66.9000117.9
332F27.6Very low28.6Very low184 Ų184140.8 Ų140.881%0.80774%0.74SS**  cis-145.3177.527.5-99.8-52.2000111.8
333P34.3Very low28.5Very low94 Ų94144.5 Ų144.561%0.6174%0.737SS**  trans-137.6177.7-130.146.5-28.2000117.7
334Q26.3Very low28.5Very low157 Ų157146.6 Ų146.673%0.73474%0.735SS**  trans65.9109.4138.4-163.7170.116.300120
335R24.7Very low28.5Very low246 Ų246146 Ų14693%0.92873%0.73SS**  -151.8154.397.9-104.9177.8-169.4178.64.6112.2
336C24.6Very low28.9Very low114 Ų114144.5 Ų144.577%0.7773%0.726SS**  trans-119.2151.5-167.3-410000111
337S27.6Very low28.8Very low101 Ų101144.8 Ų144.871%0.70673%0.732SS**  trans161.6131.1142.71800000108.9
338E27.1Very low29.3Very low130 Ų130143.3 Ų143.361%0.60773%0.732SS**  cis-166145.2-16.2-118.5162.2113.700108.6
339K30.6Very low29.7Very low148 Ų148143.9 Ų143.964%0.64374%0.735SS**  trans65.8150145.9-66.8164.7169156.70118.9
340E30.9Very low29.5Very low145 Ų145145 Ų14568%0.67873%0.734SS**  cis-149.7146.8-2.2-127.8144.1-143.600110.7
341D28.1Very low30Very low123 Ų123145.4 Ų145.466%0.65874%0.738SS**  trans62.8118.1140.8-78.131.7000125.2
342N31.1Very low31Very low123 Ų123144.6 Ų144.666%0.65874%0.74SS**  78.2138.9128-56.8-22.2000119.9
343F27.9Very low31.5Very low183 Ų183142.5 Ų142.580%0.80373%0.733SS**  cis-150.6174.3-1.6-149.3-109.3000113.1
344Y29.8Very low32Very low193 Ų193146 Ų14676%0.75774%0.741SS**  trans-58.7165.8171.9-122.5-127.5000112.9
345S29.1Very low32.7Very low105 Ų105144.8 Ų144.873%0.73475%0.747SS**  cis-143.1157.428.8-56.20000115.1
346S38.6Very low33.2Very low97 Ų97139.8 Ų139.868%0.67873%0.732SS**  trans-86.3153.4152.1-171.40000109.5
347D25.9Very low33.7Very low162 Ų162144 Ų14487%0.86674%0.738SS**  trans-141.2160.5151.7-144.2-21.1000109.9
348S38.9Very low34.2Very low100 Ų100148.6 Ų148.670%0.69975%0.745SS**  trans-139.4121.1-167164.70000110.2
349D30.7Very low34.4Very low170 Ų170150.1 Ų150.191%0.90975%0.752SS**  trans-140.4156165-132.6-25.7000112.4
350F34.7Very low34.8Very low174 Ų174150 Ų15076%0.76376%0.757SS**  trans-123.2125.7-165.7-178.5-73.6000109.3
351D37.2Very low34.8Very low150 Ų150149 Ų14980%0.80275%0.752SS**  trans-148.1142.2173.1-155.35.4000112.1
352D45.3Very low35.4Very low138 Ų138150 Ų15074%0.73876%0.756SS**  trans-100.9111.4-179-101.6-48.2000109.3
353E37.6Very low35.5Very low139 Ų139153.4 Ų153.465%0.6576%0.76SS**  trans-143.2149.3166.5-104.9-153.6129.400115.2K356E353-K356 IonicContact OE1-NZ 3.65Å; E353-K356 WeakPolarHBondContact OE2-CE 3.37Å; E353-K356 IonicContact OE2-NZ 2.54Å; E353-K356 PolarHBondContact OE2-NZ 3.33Å
354E45.5Very low35.7Very low168 Ų168150.7 Ų150.779%0.78576%0.76SS**  trans-61.9150.4179-59.8-175.1114.200112.8K356E354-K356 PolarHBondContact O-N 2.71Å
355P41.1Very low35.8Very low132 Ų132148.4 Ų148.486%0.85777%0.766SS**  trans-6598.5172.127.1-34.2000111.2K357P355-K357 PolarHBondContact O-N 3.08Å
356K35.8Very low35.8Very low141 Ų141147.8 Ų147.861%0.61377%0.767SS**  trans-52.9127.8-174-79.7165.2-179.8159.80113.6E353 E354 F358E353-K356 IonicContact OE1-NZ 3.65Å; E353-K356 WeakPolarHBondContact OE2-CE 3.37Å; E353-K356 IonicContact OE2-NZ 2.54Å; E353-K356 PolarHBondContact OE2-NZ 3.33Å; E354-K356 PolarHBondContact O-N 2.71Å; K356-F358 PolarHBondContact O-N 3.36Å
357K35.3Very low35.6Very low203 Ų203149.1 Ų149.188%0.88378%0.776SS**  trans-76.397.4-173.6-172.6177.4-174173.40111.8P355 H359P355-K357 PolarHBondContact O-N 3.08Å; K357-H359 PolarHBondContact O-N 3.24Å
358F36.4Very low35.6Very low196 Ų196147.2 Ų147.286%0.8678%0.776SS**  trans-59.1118.5176.9-70.4-83.7000112.4K356K356-F358 PolarHBondContact O-N 3.36Å
359H33Very low35.1Very low162 Ų162147.8 Ų147.875%0.7578%0.78SS**  trans-103.391.6179.3-168.788.4000111.2K357 Q361K357-H359 PolarHBondContact O-N 3.24Å; H359-Q361 PolarHBondContact O-N 3.42Å
360I38.6Very low35Very low146 Ų146151.4 Ų151.475%0.74978%0.781SS**  trans-83.393.5179.1-54.9-179.8000109.8I362I360-I362 HydrophobicContact CG2-CG1 4.09Å; I360-I362 PolarHBondContact O-N 3.44Å
361Q29.5Very low34.7Very low123 Ų123147.7 Ų147.758%0.57578%0.776SS**  trans-86.492.2174.1-175.4-177.289.700111.2H359 R363H359-Q361 PolarHBondContact O-N 3.42Å; Q361-R363 HydrophobicContact CG-CG 4.49Å; Q361-R363 PolarHBondContact O-N 3.43Å
362I42.4Very low34.1Very low146 Ų146148 Ų14875%0.74978%0.778SS**  trans-76.2112.9168-57.8-178.8000108.7I360I360-I362 HydrophobicContact CG2-CG1 4.09Å; I360-I362 PolarHBondContact O-N 3.44Å
363R31.8Very low33.3Very low194 Ų194146.5 Ų146.573%0.73278%0.779SS**PPolyproline II helixtrans-82.6128.6169.2-64-177.3-176177.72.3109.4Q361 V365Q361-R363 HydrophobicContact CG-CG 4.49Å; Q361-R363 PolarHBondContact O-N 3.43Å; R363-V365 PolarHBondContact O-N 3.36Å
364P31.9Very low32.8Very low126 Ų126146.3 Ų146.382%0.81879%0.787SS**PPolyproline II helixtrans-66.3128.5171.2-15.729.4000110
365V32.7Very low31.8Very low145 Ų145142.8 Ų142.888%0.87979%0.786SS**PPolyproline II helixtrans-82.2126.9167.1-178.80000107.9R363R363-V365 PolarHBondContact O-N 3.36Å
366A29.6Very low31.4Very low91 Ų91142.1 Ų142.175%0.75278%0.779SS**PPolyproline II helixtrans-70.5148.1-175.100000112.6
367S33.4Very low31.3Very low125 Ų125144 Ų14487%0.87479%0.791SS**PPolyproline II helixtrans-68.5129.7172.854.90000111.8
368S27.1Very low31.5Very low122 Ų122143.5 Ų143.585%0.85379%0.789SS**  trans-131.1139.6162.864.20000110.4
369S27.7Very low31.5Very low113 Ų113142.9 Ų142.979%0.7979%0.788SS**  trans-102.9139.5-171.552.60000111.8
370R27.8Very low31.4Very low246 Ų246143.2 Ų143.293%0.92879%0.794SS**  trans-166.1151.6130.2-113.1168.3171.6-178.3-4.7114.8
371S28.4Very low31.3Very low95 Ų95145.1 Ų145.166%0.66480%0.797SS**  trans-78.5153.7-177.5540000113.5
372N24.5Very low31.6Very low156 Ų156143.3 Ų143.383%0.83480%0.804SS**  -163.3166.1102.6-95.1-1.9000112.1
373S29.8Very low31.2Very low108 Ų108143 Ų14376%0.75581%0.809SS**  trans-124.7-176.3-164.9570000112.8
374V26.8Very low31Very low135 Ų135140.9 Ų140.982%0.81882%0.817SS**  trans99.992.8169.4-172.50000116
375A24.6Very low30.9Very low93 Ų93138.1 Ų138.177%0.76981%0.812SS**  trans-160.567.3151.600000112.4
376T31.7Very low30.7Very low118 Ų118136.8 Ų136.872%0.72480%0.804SS**  trans4489.3145.7570000121.1K378T376-K378 PolarHBondContact O-N 3.48Å
377E34.7Very low30.5Very low182 Ų182141.2 Ų141.285%0.8581%0.814SS**SBend43.97.2111.8-138.4-170.513300122.7
378K38.4Very low30.2Very low192 Ų192141 Ų14184%0.83581%0.807SS**  trans-117.2-4.8-169.3-117.1-178.7-179.3-178.60117.6T376T376-K378 PolarHBondContact O-N 3.48Å
379E37.2Very low30.2Very low183 Ų183142.8 Ų142.886%0.85581%0.806SS**SBendtrans-93.2-20.8175.1-70.5-173.1122.300114K381E379-K381 VanDerWaalsContact C-N 3.29Å; E379-K381 PolarHBondContact O-N 3.11Å
380L31.8Very low30.3Very low168 Ų168142.9 Ų142.988%0.8881%0.805SS**SBendtrans-90.634.8-176-64.7177.3000114.4
381K35.3Very low30.6Very low186 Ų186136.5 Ų136.581%0.80980%0.795SS**SBendtrans-136.147.2172.9-75.7-174.8176.8166.40112.5E379E379-K381 VanDerWaalsContact C-N 3.29Å; E379-K381 PolarHBondContact O-N 3.11Å
382A36.2Very low30.6Very low86 Ų86140 Ų14071%0.71181%0.806SS**SBendtrans-130.7-9.3179.800000116.2
383T34.4Very low31Very low139 Ų139143.3 Ų143.385%0.85381%0.807SS**SBendtrans-149.464.3-177.5-70000113.7
384V28.1Very low31Very low150 Ų150141.7 Ų141.791%0.90981%0.807SS**  trans-133.6118.8170.41800000109.8
385G28.7Very low31.1Very low68 Ų68142 Ų14270%0.70181%0.81SS**  trans125.2127.9-173.800000111
386T28.2Very low31.3Very low117 Ų117148.1 Ų148.172%0.71881%0.813SS**  cis-150.3124.62.9-62.60000111.1
387L25Very low30.9Very low184 Ų184151.3 Ų151.396%0.96382%0.82SS**  trans-131.4124.4153.2-75.9178.1000107.5
388T27.6Very low30.4Very low119 Ų119150 Ų15073%0.7381%0.813SS**  trans-124.4115.6-175.5-54.70000109.9
389L28.1Very low29.7Very low160 Ų160148.4 Ų148.484%0.83881%0.809SS**PPolyproline II helixtrans-93.4150.2163.9-70.4171.9000109.3
390P29.7Very low29Very low116 Ų116144.7 Ų144.775%0.75380%0.799SS**PPolyproline II helixtrans-68146.4-173.926.7-34.7000112.6
391P33.3Very low28.5Very low112 Ų112145.2 Ų145.273%0.72779%0.794SS**PPolyproline II helixtrans-82.9134.4-170.532.1-35.3000113.2
392N28Very low28Very low168 Ų168144.7 Ų144.790%0.89880%0.797SS**  trans-87.6109.6165.5-163.51.6000109.1
393R32.5Very low27.4Very low225 Ų225145.4 Ų145.485%0.84980%0.797SS**  trans-99.8114.3-179.3-86.9-167.9173.8-162.6-0111.7
394G31.2Very low27Very low74 Ų74144.2 Ų144.276%0.76379%0.785SS**  trans-102.8131.7157.300000110.7
395T28.6Very low27Very low142 Ų142146.5 Ų146.587%0.87178%0.778SS**  trans-150154.3167.4-45.90000109
396R28.9Very low26.8Very low222 Ų222152.4 Ų152.484%0.83878%0.784SS**  trans-137.2124.9-155.8169-168.3175.6-1660.8112.1
397Q24Very low26.7Very low184 Ų184152.5 Ų152.586%0.8678%0.784SS**  trans-162.3125.9156-97.1151.213.600104.7
398Q23.8Very low26.7Very low154 Ų154153 Ų15372%0.7278%0.779SS**  cis98140.940.1-173172-22.200111.5
399E22.4Very low27.9Very low160 Ų160153.1 Ų153.175%0.74878%0.781SS**  trans79.3140.4-178.3-49.4-154.8170.500116
400T22.4Very low27.7Very low104 Ų104150.2 Ų150.264%0.63878%0.78SS**  cis-153.5160.1-12.111.40000112.4
401F22.3Very low27.6Very low179 Ų179152.4 Ų152.479%0.78579%0.785SS**  trans26.4126.8158.9-65.4-72.2000123.1
402M23.7Very low28.1Very low175 Ų175152.3 Ų152.386%0.86279%0.785SS**  -171.7169.995.8-100.5-58.915700114.5
403S24.6Very low28.1Very low101 Ų101154.2 Ų154.271%0.70678%0.779SS**  trans-86.4-179.2179.9-135.90000111.9
404D25.3Very low27.9Very low114 Ų114151 Ų15161%0.6177%0.774SS**  cis-156173.217.2-156.520.8000115
405R28Very low27.6Very low199 Ų199158.3 Ų158.375%0.75178%0.778SS**  trans-20.9142.9165.6-62.2157.6172.9152.6-11.1120.2
406K25.5Very low27.4Very low192 Ų192157.1 Ų157.184%0.83578%0.776SS**  170110.496.2-113.3157.4-178.4178.60117.5
407T26.3Very low27.4Very low118 Ų118151.5 Ų151.572%0.72477%0.77SS**  33.6104.2124.1-43.50000125
408K24Very low28Very low195 Ų195148.9 Ų148.985%0.84877%0.769SS**  57.7-171.7129-55-173.7176.9-177.20120.4
409P52.3Low28.2Very low121 Ų121152 Ų15279%0.78678%0.775SS**  -134.4-178.1-8042.9-27.2000115
410A24.1Very low28.4Very low99 Ų99151.3 Ų151.382%0.81878%0.781SS**  trans178.6153136.500000116.2
411L28.3Very low28.6Very low163 Ų163153.3 Ų153.385%0.85378%0.784SS**  trans-121.6173.9158.4-93153.6000105.9
412P43.7Very low28.8Very low110 Ų110151.4 Ų151.471%0.71478%0.777SS**  cis-154.7-178.227.847.8-27000119.4
413R27.9Very low28.7Very low207 Ų207150.5 Ų150.578%0.78177%0.773SS**  trans80.7112.9134.4-150.2171.7-170.4161.55.5124.2
414Q27.7Very low28.6Very low159 Ų159151.3 Ų151.374%0.74378%0.777SS**  trans58155.3140.8-60.3176.6-57.300119
415R25.1Very low28.5Very low226 Ų226157.2 Ų157.285%0.85379%0.791SS**  cis-166.9168.336.2-159.4-177.4-166.8-174.34112.7
416S25.2Very low28.4Very low117 Ų117152.4 Ų152.482%0.81879%0.787SS**  trans82.8153157.2-8.10000120
417S28.6Very low28.3Very low104 Ų104152.1 Ų152.173%0.72779%0.789SS**  trans-130.6-178.1179.656.80000110.9
418P37.8Very low28.3Very low129 Ų129151.9 Ų151.984%0.83879%0.792SS**  -141-175.3108.338.3-25.1000114.9
419R27.8Very low28.3Very low220 Ų220150.3 Ų150.383%0.8379%0.79SS**  trans-113160.4-178.8-62.5171.8168.7174.9-5.2112.1
420T25.3Very low27.1Very low145 Ų145152.5 Ų152.589%0.8979%0.794SS**  trans-148.7161.5135.3-11.70000111.6
421Q27.1Very low27Very low147 Ų147151.7 Ų151.769%0.68780%0.795SS**  trans-96.1-174.4174.8-65.6148.9-118.200109.2
422E26.1Very low26.9Very low139 Ų139149.3 Ų149.365%0.6579%0.792SS**  cis-166.9171.817.6-155.5157.4-112.800113.4
423M21.6Very low26Very low156 Ų156150.9 Ų150.977%0.76880%0.8SS**  trans78.3150.8149.4-141.163.376.900120.7
424C23.2Very low25.9Very low117 Ų117145.6 Ų145.679%0.79180%0.8SS**  trans-121.5149.5-175.9-50.10000112.4
425R23.8Very low26Very low239 Ų239144.1 Ų144.190%0.90281%0.808SS**  trans-176.5147.5136.4-109.2171.4178.8174.8-0.4116.2
426S25.3Very low26.2Very low97 Ų97137.1 Ų137.168%0.67881%0.806SS**  trans57115.9143.6-58.20000123.2
427E23.7Very low26.4Very low187 Ų187137 Ų13787%0.87481%0.806SS**  trans15.7130.5135.6-51.5178.8138.800119
428S24.8Very low26.4Very low112 Ų112139.5 Ų139.578%0.78381%0.81SS**  175.4157.172.944.30000114.4
429M24.9Very low26.1Very low162 Ų162139 Ų13980%0.79881%0.81SS**  trans43.4122.6153-75.7-63.5-175.300124.2
430L26.6Very low26.7Very low168 Ų168136.1 Ų136.188%0.8881%0.81SS**  trans72.7125.9142.6-59.3171000121.2
431G23.1Very low27.2Very low82 Ų82138.3 Ų138.385%0.84581%0.808SS**  trans159.9115.2164.500000113
432S25.9Very low27.6Very low113 Ų113134.4 Ų134.479%0.7981%0.807SS**  trans-92.3145.4-178.7-55.70000112.9
433T25.4Very low28Very low142 Ų142133.5 Ų133.587%0.87181%0.814SS**  162.3163125.5390000112.6
434A25.1Very low28.6Very low96 Ų96132 Ų13279%0.79382%0.816SS**  trans61.6124.1-178.400000115.4
435S30.8Very low28.9Very low129 Ų129134.5 Ų134.590%0.90282%0.82SS**  cis76.6102.639.7-163.60000113.6
436G28.4Very low29.3Very low79 Ų79132 Ų13281%0.81482%0.819SS**  trans147.586.5171.400000114.9
437S29.8Very low29.6Very low115 Ų115136 Ų13680%0.80483%0.831SS**  trans-160.5132.216163.30000110.9
438D29Very low29.9Very low155 Ų155130.5 Ų130.583%0.82982%0.818SS**  trans-66.5147.2-164.7-56.2-82.5000116.6L440D438-L440 PolarHBondContact O-N 3.07Å; D438-L440 VanDerWaalsContact O-N 3.08Å
439S29.9Very low30.1Very low118 Ų118135.4 Ų135.483%0.82583%0.825SS**  trans-75.391.9174.2-65.40000111.6F441S439-F441 PolarHBondContact O-N 3.13Å
440L40.8Very low30.2Very low160 Ų160137.5 Ų137.584%0.83883%0.83SS**  trans-7212.6178.8-91.8166.3000115.8D438D438-L440 PolarHBondContact O-N 3.07Å; D438-L440 VanDerWaalsContact O-N 3.08Å
441F35.5Very low30.2Very low191 Ų191134.8 Ų134.884%0.83883%0.825SS**SBendtrans-131.9128.7169.6-72.7-83.2000110S439S439-F441 PolarHBondContact O-N 3.13Å
442G35.7Very low30.2Very low66 Ų66140.4 Ų140.468%0.6883%0.826SS**PPolyproline II helixtrans-70.5169.2-179.300000114
443P35.7Very low30.1Very low120 Ų120139.8 Ų139.878%0.77982%0.822SS**PPolyproline II helixtrans-66.5145.6-175.527.9-35.3000112.5
444P32.9Very low29.9Very low125 Ų125142.4 Ų142.481%0.81282%0.822SS**PPolyproline II helixtrans-60.2137.9172.7-24.334.8000113.2E446P444-E446 PolarHBondContact O-N 3.24Å; P444-E446 VanDerWaalsContact O-N 3.1Å
445L30.9Very low29.9Very low168 Ų168143.5 Ų143.588%0.8881%0.814SS**SBendtrans-78.685.9178-73.5170.3000111.9
446E31Very low29.5Very low188 Ų188143.2 Ų143.288%0.87981%0.812SS**  trans-148.316.9163-131.5168-133.900115.1P444P444-E446 PolarHBondContact O-N 3.24Å; P444-E446 VanDerWaalsContact O-N 3.1Å
447L32.2Very low29.3Very low180 Ų180150 Ų15094%0.94281%0.813SS**  trans-111.223176.2-93.4172.5000114.1
448A30.1Very low29.1Very low71 Ų71151.2 Ų151.259%0.58781%0.81SS**  trans-111.124.2-170.400000115.8
449F28.3Very low29Very low215 Ų215151.2 Ų151.294%0.94381%0.805SS**  trans-147.4107.8163.1-76.4-61.5000112.8
450K27.4Very low28.7Very low207 Ų207154.8 Ų154.890%0.981%0.806SS**  trans-156.1151.4160.9-134.5175-175.2178.90111.1
451S25.9Very low27.9Very low111 Ų111156.8 Ų156.878%0.77680%0.803SS**  trans68.9148.9-166.384.70000113.8
452K23Very low27.4Very low200 Ų200153.5 Ų153.587%0.8779%0.79SS**  cis-119.4165.39.6-71.5-178.8176.7-179.50113.7
453S23.9Very low26.9Very low100 Ų100157.3 Ų157.370%0.69979%0.79SS**  trans-90.7164.8178.448.20000113.4
454F21.3Very low26.4Very low197 Ų197158.6 Ų158.686%0.86479%0.79SS**  trans-149.6157.3138.9-150.6-97.5000110.6
455D25Very low25.9Very low119 Ų119156.2 Ų156.264%0.63678%0.781SS**  trans-103.6146.4-157.3-56.4-79.7000115.7
456S23.3Very low25.6Very low122 Ų122158.3 Ų158.385%0.85378%0.784SS**  trans175.8140.2148.3-81.30000109.8
457R24.4Very low25.3Very low223 Ų223152.6 Ų152.684%0.84278%0.775SS**  cis-164.7149.8-9.3170.3173.2171.7156.9-1.5108.6
458D24.9Very low25Very low140 Ų140148.9 Ų148.975%0.74977%0.77SS**  trans-72.4171.5177.8-73.7-72.8000115.8
459Q26.1Very low24.8Very low154 Ų154149.7 Ų149.772%0.7277%0.772SS**  trans80.5142.1173-47.7172-7.200113.9
460F24.1Very low24.7Very low193 Ų193146 Ų14685%0.84676%0.757SS**  cis-128.4165.518.3-112.2-93.9000114.3
461R25Very low24.8Very low203 Ų203145.2 Ų145.277%0.76675%0.75SS**  trans-124.7152.9166.2160.5175.9162.3167.7-4.8108.5
462E23.8Very low24.9Very low121 Ų121144 Ų14457%0.56575%0.747SS**  trans83.2142.1163.5-91169.2-141.300122.1
463Q25.7Very low25.1Very low146 Ų146138.4 Ų138.468%0.68274%0.738SS**  trans61.899.1145.7-63.5174.238.700120.9
464N24.8Very low25.1Very low147 Ų147142.8 Ų142.879%0.78675%0.745SS**  -174138.198.4-83.9-37.6000108.8
465A22.7Very low25.3Very low75 Ų75138.2 Ų138.262%0.6274%0.737SS**  cis87.513227.100000114.9
466F23.8Very low25.4Very low213 Ų213138 Ų13893%0.93475%0.745SS**  trans68.6133.2-174.7-61.7-86.8000117.4
467G25.4Very low25.4Very low67 Ų67139.3 Ų139.369%0.69174%0.743SS**  cis167154.7-1300000115.9
468A25.3Very low25.4Very low103 Ų103134 Ų13485%0.85174%0.74SS**  trans69.2155.9163.800000117.1
469S26.1Very low25.5Very low87 Ų87132.3 Ų132.361%0.60874%0.738SS**  cis-157.8157.93.5-142.20000114.6
470E27.1Very low25.8Very low137 Ų137130.4 Ų130.464%0.6474%0.743SS**  trans58.8151.2140.5-79.9160127.100121.8
471Y29.1Very low27Very low191 Ų191126.7 Ų126.775%0.74974%0.738SS**  cis-120.3148.4-13.7-95-89.8000107.5
472A28.6Very low27.1Very low86 Ų86126.4 Ų126.471%0.71175%0.745SS**  51.3152.58400000115.7
473A26.3Very low27.4Very low83 Ų83127.1 Ų127.169%0.68675%0.753SS**  cis-158.6163.519.500000113.3
474F24.9Very low27.5Very low191 Ų191126 Ų12684%0.83876%0.756SS**  trans18.6125.5151.1-68.4-93.8000120.1
475S25.6Very low27.8Very low102 Ų102128.1 Ų128.171%0.71376%0.761SS**  93.9157.353.7-69.30000114.3
476S25.8Very low28.1Very low113 Ų113132 Ų13279%0.7977%0.771SS**  trans97.2148.8-179.7-40.20000114.7
477D22.8Very low28.6Very low151 Ų151127.4 Ų127.481%0.80777%0.766SS**  cis-178.9167.5-41.8-114-47.2000107.5
478S25.2Very low28.6Very low112 Ų112127.9 Ų127.978%0.78377%0.77SS**  trans69153169.1-146.20000115.8
479S26.3Very low29.1Very low103 Ų103131.6 Ų131.672%0.7278%0.775SS**  cis-149.5149.1-1.3-9.70000111.9
480S33.6Very low29.1Very low115 Ų115134.2 Ų134.280%0.80478%0.782SS**  trans-111.9171.7136-64.60000106.6
481P49.3Very low29.7Very low115 Ų115133.4 Ų133.475%0.74779%0.792SS**  cis-131.9-179.57.443.1-28.1000114.4
482E26.3Very low30.3Very low196 Ų196129.2 Ų129.292%0.91679%0.788SS**  trans-155178.9138.4-123.1173.4162.900112.4
483N29.8Very low30.1Very low137 Ų137130.4 Ų130.473%0.73379%0.791SS**  -150156.5-124.4-149.611000113.9
484V29.4Very low30.3Very low123 Ų123134.7 Ų134.775%0.74580%0.796SS**  trans50.9116.2162.4-67.60000122.9
485E30.9Very low30.7Very low191 Ų191133.1 Ų133.189%0.89379%0.792SS**  trans-172109.6134.5-100179.6164.600103
486D28.5Very low31.3Very low155 Ų155133.7 Ų133.783%0.82979%0.793SS**  cis60142.444.3-153.622.5000115.5
487S33.4Very low31.5Very low118 Ų118135.8 Ų135.883%0.82580%0.795SS**  trans72.3132.5-159.4-47.90000114.4
488G26.8Very low31.6Very low76 Ų76132 Ų13278%0.78479%0.791SS**  cis-171.1159.8-5.800000112.2
489L35.6Very low31.8Very low182 Ų182133 Ų13395%0.95380%0.795SS**  trans-74.6137.2168.6-66.3163.9000109.4
490D26Very low31.9Very low141 Ų141133.4 Ų133.475%0.75480%0.798SS**  trans-148.3140.7144.5-146.6-10.1000113.7P492D490-P492 WeakPolarHBondContact OD1-CD 3.29Å
491S39.9Very low31.9Very low121 Ų121133.6 Ų133.685%0.84680%0.796SS**  trans-175.392.5172.3-79.50000109.4
492P40.5Very low30.7Very low102 Ų102137 Ų13766%0.66280%0.802SS**  trans-133.7178.3135.543.2-34.8000110.1D490D490-P492 WeakPolarHBondContact OD1-CD 3.29Å
493S25.9Very low31Very low112 Ų112135.4 Ų135.478%0.78380%0.799SS**  cis-146.616617.6-51.20000111.8
494H29.8Very low30.9Very low172 Ų172134 Ų13480%0.79681%0.806SS**  trans-97.8148.3172.2-82.5-101.3000113.1
495Q33.1Very low30.6Very low158 Ų158131.3 Ų131.374%0.73880%0.804SS**  trans73161.6144.6-87.7-176.94.800118.3
496P38.2Very low30.4Very low115 Ų115134.3 Ų134.375%0.74781%0.807SS**  cis-132.8152.430.741.2-23.8000120.8
497L29.4Very low30.6Very low157 Ų157131.2 Ų131.282%0.82280%0.803SS**  trans27121.3141.1-60.4168.6000121.2
498G25.5Very low30.3Very low71 Ų71130.2 Ų130.273%0.73280%0.802SS**  trans-152.2148.3157.100000110.3
499P30.1Very low30.2Very low132 Ų132137.4 Ų137.486%0.85781%0.806SS**PPolyproline II helixtrans-89.7161.5-161.734.7-37.1000116.4
500S28.5Very low30.6Very low112 Ų112134.2 Ų134.278%0.78380%0.796SS**PPolyproline II helixtrans-79.4144.7173177.90000113.2
501P32.2Very low31.7Very low120 Ų120132.1 Ų132.178%0.77979%0.79SS**PPolyproline II helixtrans-99149.5154.836.4-28.9000112.4
502E25.7Very low31.3Very low185 Ų185132.6 Ų132.686%0.86479%0.787SS**  trans-115.4174.9174.6-157.2172.2-155.500111.8
503L31.7Very low30.6Very low164 Ų164133.3 Ų133.386%0.85980%0.795SS**  trans-56.6130.9-163.3-76.968.9000117.2
504A26.8Very low30.8Very low107 Ų107135.6 Ų135.688%0.88479%0.793SS**  trans177.6153.2131.100000109.8
505G25Very low30.6Very low67 Ų67134.6 Ų134.669%0.69180%0.799SS**  cis162.4145.3-7.900000111.4
506W26Very low30.5Very low254 Ų254135.3 Ų135.396%0.96280%0.8SS**  trans-133.3112167.7-72.177.8000106.5
507A33.2Very low30.7Very low90 Ų90135.7 Ų135.774%0.74480%0.802SS**  73.5134.279.300000112.5
508A25.6Very low30.6Very low97 Ų97131.6 Ų131.680%0.80280%0.798SS**  cis-137.6-170.327.300000116.1
509W25.9Very low31.9Very low227 Ų227134.7 Ų134.786%0.8681%0.805SS**  trans-128.2-173-167.5-86.890.6000108.8P511W509-P511 HydrophobicContact CE3-CB 4.4Å
510P42.9Very low31.8Very low114 Ų114133.4 Ų133.474%0.7481%0.806SS**  cis-149.5-153.131.551.6-27.4000115.5
511P49.4Very low31.5Very low97 Ų97133.7 Ų133.763%0.6381%0.807SS**  -143.1-140.8-115.541.2-14.5000115.4W509W509-P511 HydrophobicContact CE3-CB 4.4Å
512V31.4Very low31.3Very low131 Ų131137.9 Ų137.979%0.79481%0.807SS**  trans90.9133171.9-1780000113.8
513S26.5Very low31.4Very low118 Ų118138.4 Ų138.483%0.82580%0.801SS**  cis-128.5173.321.8-106.70000115.5
514Q30.4Very low31.1Very low159 Ų159139 Ų13974%0.74380%0.799SS**  trans-116.1164.2-178.3-56.5176.15.200113.8
515T25.3Very low31.2Very low152 Ų152138 Ų13893%0.93379%0.791SS**  trans-150.7169.6135.56.20000112.4
516K31.3Very low31.7Very low172 Ų172142.5 Ų142.575%0.74880%0.797SS**  trans-133.2-178-162.2-88.5-177.8-178.5176.60110.2
517P42.4Very low32.9Very low123 Ų123135.5 Ų135.580%0.79979%0.785SS**  cis-138-176.6-41.138.9-22.6000113.2
518G26.3Very low32.6Very low71 Ų71142.9 Ų142.973%0.73279%0.793SS**  trans127.3154.9134.800000118.4
519P54Low32.8Very low136 Ų136147.7 Ų147.788%0.88380%0.796SS**  trans-133.3168.5-152.640.3-21.8000117.5
520A27.1Very low34.4Very low105 Ų105142 Ų14287%0.86879%0.788SS**  trans-144.1168.9161.600000110.6
521C23.3Very low33.8Very low119 Ų119146 Ų14680%0.80480%0.797SS**  trans-148.3160.8-158.9-150.70000116.5
522R26.6Very low32.7Very low208 Ų208145 Ų14579%0.78580%0.804SS**  trans76.2119.2159.9-62.2-174175.4-158.8-1.5121.9
523R27.5Very low32.7Very low196 Ų196150.1 Ų150.174%0.7481%0.809SS**  33.3133.2122.9-50.9177.1-176178.2-1.1119.9
524H27.3Very low32.7Very low175 Ų175150.9 Ų150.981%0.8181%0.809SS**  -173.8-165.694.9-99-73.8000111.3
525A28.1Very low32.6Very low87 Ų87154.3 Ų154.372%0.71982%0.815SS**  trans-130.2169.6-152.100000117.5
526I34.6Very low32.8Very low161 Ų161156 Ų15683%0.82681%0.81SS**  trans-35.9158.5164.720.8172.6000115.2
527P51.7Low33.4Very low107 Ų107153.8 Ų153.870%0.69581%0.813SS**  cis-152.717640.740.7-19.3000119.7
528R26.3Very low32.9Very low246 Ų246152.6 Ų152.693%0.92881%0.808SS**  trans167.1178131.1-90.1171-178.3-165.30.1115.6
529K31.1Very low33.6Very low198 Ų198155.3 Ų155.386%0.86181%0.812SS**  trans-156.6-178.4-170-113.1-171.2176.7-177.50108.2
530P59.5Low32.4Very low107 Ų107154.1 Ų154.170%0.69581%0.807SS**  cis-135.8-172.5-34.341.3-23.9000113.5
531E30.2Very low34Very low199 Ų199154.6 Ų154.693%0.9380%0.801SS**  trans158.3159.9143.4-89.6-175.9-177.900111.2
532G26.6Very low34.1Very low74 Ų74156.6 Ų156.676%0.76380%0.804SS**  cis-162.7-154.47.400000116
533R31.3Very low34.1Very low240 Ų240150.8 Ų150.891%0.90680%0.796SS**  trans-67.4164.2-160.7-111.3174179.9171.3-0.1118.4
534T26Very low34.1Very low134 Ų134148.5 Ų148.582%0.82280%0.797SS**  -150.2-118.976.6-56.70000117.4
535R27.3Very low34Very low230 Ų230148.7 Ų148.787%0.86880%0.796SS**  trans-159.8154-150.4-163.9177.7-178.5-175.81.2118.5
536F29.9Very low33.9Very low187 Ų187153.9 Ų153.982%0.8280%0.803SS**  trans-49.3164162.5-81.2-75.1000118.3
537P44.6Very low33.7Very low127 Ų127151.5 Ų151.583%0.82580%0.801SS**  -149.5-179.369.742.9-22.7000119.4
538S31.2Very low33.1Very low98 Ų98151.6 Ų151.669%0.68580%0.801SS**  trans-128172.1173.359.50000111.8
539P41.4Very low33.2Very low127 Ų127149.8 Ų149.883%0.82580%0.8SS**  trans-129.1177.7150.837.9-25.5000113.3
540S29.1Very low32.9Very low112 Ų112144.2 Ų144.278%0.78380%0.798SS**  trans-132.1-144.9-173.7-59.90000112.9
541P60.8Low31.2Very low114 Ų114144.5 Ų144.574%0.7480%0.803SS**  -125.4176.1-108.140.4-23.2000116
542N26Very low31.1Very low161 Ų161144.6 Ų144.686%0.86180%0.8SS**  trans-175.9161160.7-96-23.5000109.6
543S25.9Very low31Very low87 Ų87149.7 Ų149.761%0.60880%0.804SS**  cis-176.4161.3-25540000111.1
544L26.5Very low30.7Very low148 Ų148143.1 Ų143.178%0.77580%0.795SS**  trans85.1120.8160.2-52.9177000121.7
545F26.5Very low30.7Very low179 Ų179147.4 Ų147.479%0.78580%0.798SS**  trans10.8139138.3-62.5-91.1000121.7
546F24.8Very low30.5Very low195 Ų195146.9 Ų146.986%0.85580%0.796SS**  -162.1154.495.9-115.7-79.4000113.7
547S31.9Very low30.3Very low112 Ų112142.2 Ų142.278%0.78379%0.786SS**  trans-163.9137.7166.6-75.40000110.7
548P39.1Very low29.3Very low109 Ų109142.9 Ų142.971%0.70878%0.783SS**  trans-127141142.440.5-30.6000108.9
549K27.8Very low29.1Very low208 Ų208143.3 Ų143.390%0.90478%0.782SS**  46118.272.8-63.8-177179.3178.50111.3
550G24.2Very low28.4Very low80 Ų80143.2 Ų143.283%0.82578%0.779SS**  cis135.4146.74.700000109.5
551S24.5Very low28.3Very low114 Ų114147.4 Ų147.480%0.79779%0.786SS**  trans-145.9140.8173.5-172.70000111.4
552K27.3Very low26.6Very low200 Ų200147.9 Ų147.987%0.8779%0.786SS**  trans-117.6136164.2-69.9-177.8177.8-177.50106.8
553H26Very low26.6Very low181 Ų181147 Ų14784%0.83879%0.787SS**  trans-131.8142.5149.6-100.6-83.9000109.1
554S24.7Very low26.7Very low103 Ų103148.3 Ų148.372%0.7280%0.796SS**  trans-139.4119.2-178.5177.40000108.7
555Y25.8Very low26.7Very low223 Ų223146.1 Ų146.188%0.87580%0.799SS**  trans-172.9143.3162.7-78.9-54.9000105
556R23.6Very low26.9Very low219 Ų219141.7 Ų141.783%0.82680%0.796SS**  cis-156.1154-5.9169.7175.7168.7167.7-2.6107
557S25.4Very low27.1Very low89 Ų89138.7 Ų138.762%0.62280%0.796SS**  trans-67.6145.2174.5178.10000111.8
558D23.3Very low26.8Very low141 Ų141142.7 Ų142.775%0.75480%0.802SS**  -160.7173.5127.2-93.6-25.7000112.1
559T27.2Very low26.5Very low108 Ų108149 Ų14966%0.66381%0.812SS**  trans-98141.1-138.548.20000117.6
560T26.6Very low26.4Very low124 Ų124143.9 Ų143.976%0.76181%0.808SS**  trans54.7121.3138.160.30000121.5
561E26Very low26.6Very low200 Ų200146.9 Ų146.994%0.93581%0.811SS**  -148.5164.3110-129.4175.5-154.200110.5
562V26.1Very low26.8Very low124 Ų124153.3 Ų153.375%0.75282%0.817SS**  trans-121126-165.21780000112.2
563V26.2Very low26.9Very low144 Ų144149.4 Ų149.487%0.87382%0.815SS**  trans-131.8125.4164.5-178.40000109
564S26.3Very low26.9Very low114 Ų114150.6 Ų150.680%0.79782%0.818SS**PPolyproline II helixtrans-74.2135.6-171.3-57.80000113.4
565A27.9Very low27Very low101 Ų101157.3 Ų157.384%0.83583%0.828SS**PPolyproline II helixtrans-93.3163.2-17900000113.7
566A29.6Very low26.9Very low87 Ų87151.9 Ų151.972%0.71982%0.822SS**PPolyproline II helixtrans-68.8154.1177.800000113.2
567P29.6Very low27Very low132 Ų132146.4 Ų146.486%0.85782%0.817SS**PPolyproline II helixtrans-69.4142-175.527.8-35.5000113.4
568Q26.7Very low27Very low196 Ų196147 Ų14792%0.91683%0.828SS**PPolyproline II helixtrans-81.3152.7-177.1-67.4-171.2-15.800113.7
569R30.9Very low27.1Very low242 Ų242151.1 Ų151.191%0.91383%0.833SS**PPolyproline II helixtrans-97.8130.6-179.5-166.6177.5-168.1167.74.4111.2
570A27.4Very low27.1Very low99 Ų99154.2 Ų154.282%0.81884%0.844SS**PPolyproline II helixtrans-63.5139179.300000112.8
571T26.7Very low27Very low144 Ų144154.1 Ų154.188%0.88385%0.849SS**PPolyproline II helixtrans-85.7138.7177.749.10000111.5
572R30.2Very low26.9Very low249 Ų249147.8 Ų147.894%0.9484%0.837SS**  trans-127142.7169-167.7169.7178.6173.1-0.6110.6
573S27.8Very low26.8Very low118 Ų118147.8 Ų147.883%0.82584%0.843SS**  trans-65.3144.6-166.2-171.10000114.9
574K26.6Very low26.8Very low206 Ų206147.3 Ų147.390%0.89683%0.831SS**  trans-75.6133.2164.2-74.3179.9175.7176.30109.8
575R26.9Very low26.9Very low244 Ų244151.4 Ų151.492%0.92183%0.829SS**  trans-121.5153.5154-153170.9-174.4-178.31.3109.6
576S24.5Very low26.9Very low109 Ų109150.4 Ų150.476%0.76282%0.816SS**  trans-71.2144.1-161.747.70000115.1
577S25.1Very low26.7Very low103 Ų103156.6 Ų156.672%0.7282%0.82SS**  trans-71.3146.2162.2173.10000111.1
578A24.8Very low26.5Very low103 Ų103156 Ų15685%0.85182%0.82SS**  trans-125.2150154.200000108
579R26.8Very low26.4Very low226 Ų226154.6 Ų154.685%0.85382%0.817SS**  trans-121.8134.4-170.2-62.9174.4173.6-179.7-3.8112.4
580L26.3Very low26.1Very low173 Ų173148.9 Ų148.991%0.90681%0.814SS**  trans-151.8124.6144.3-65.3179.1000105
581S23.9Very low26.5Very low122 Ų122149.7 Ų149.785%0.85381%0.813SS**  cis94.2109.918.9-159.20000114.7
582G24Very low26.6Very low67 Ų67148.5 Ų148.569%0.69181%0.81SS**  trans117111.5-175.300000110.7
583S25.4Very low26.9Very low124 Ų124142.2 Ų142.287%0.86780%0.802SS**  67.4128.566.2-72.30000113.4
584E25.3Very low26.8Very low135 Ų135144.5 Ų144.563%0.63180%0.804SS**  cis-142.2173.14-70.4-154.210500112
585R28.2Very low27.2Very low200 Ų200140.3 Ų140.376%0.75580%0.798SS**  trans42.6142.8135.6-72170.3179163.5-9.6120.2
586S28.5Very low27.1Very low79 Ų79138 Ų13855%0.55280%0.798SS**  cis-174.1165.824.8-126.80000113.8
587R25.8Very low27.2Very low217 Ų217140.7 Ų140.782%0.81980%0.802SS**  trans58.5105.6148.7-61.4156-158.7-176.50.3119.6
588S23.9Very low27.3Very low121 Ų121140.7 Ų140.785%0.84680%0.803SS**  trans-86.1139.5138.450.80000109.5
589L24.6Very low27.4Very low165 Ų165144.7 Ų144.786%0.86480%0.804SS**  trans-105.9153.3172.9-75.5172.3000110.7
590C24.8Very low27.2Very low123 Ų123138.2 Ų138.283%0.83179%0.793SS**  trans-87.4164.6-165.7-64.10000115
591S37.1Very low27.2Very low115 Ų115137.6 Ų137.680%0.80479%0.79SS**  trans-62.2174.6174.2-23.90000115
592S28.3Very low27.2Very low119 Ų119138 Ų13883%0.83279%0.787SS**  trans-147.7131160-76.10000111.5
593P36.3Very low27.3Very low117 Ų117140.3 Ų140.376%0.7679%0.793SS**  trans-113.7156.2179.140-32.6000114.1
594L26.3Very low27.3Very low166 Ų166140.6 Ų140.687%0.86980%0.795SS**  trans-178.3156.1167.7-100.5136.9000109.6
595P34.4Very low27.4Very low119 Ų119139.9 Ų139.977%0.77381%0.805SS**  -116.5177.1-52.431.7-15.3000112.1
596E25.8Very low27.2Very low195 Ų195136.2 Ų136.291%0.91181%0.81SS**  trans-116.4148.6170.3-166.9172.3-171.400110.9
597L24.9Very low27.1Very low165 Ų165137.7 Ų137.786%0.86482%0.82SS**  trans-115.6133.2-167.8-123.2159.1000110.9
598S28.9Very low27Very low104 Ų104133 Ų13373%0.72782%0.821SS**  trans-105.5127.5-168.759.70000114.6
599Q25.6Very low27.7Very low186 Ų186132.7 Ų132.787%0.86982%0.816SS**  trans-171.5149.9161.1-104.9163.47100108.4
600S22.7Very low28Very low90 Ų90130.4 Ų130.463%0.62981%0.814SS**  cis-168.6-174.2-27.561.80000107.8
601L26.5Very low27.9Very low161 Ų161131.8 Ų131.884%0.84381%0.813SS**  trans73.5133.9176.9-49177.4000115.4
602T25.1Very low27.7Very low129 Ų129137.2 Ų137.279%0.79182%0.816SS**  cis-131.6153.4-14.552.70000110.3
603S25.2Very low27.6Very low117 Ų117134.3 Ų134.382%0.81881%0.805SS**  trans-101.9136.4-179.7-59.60000112.3
604S25.3Very low27.2Very low129 Ų129134.5 Ų134.590%0.90280%0.803SS**  trans-147.8100.6159.4-77.30000108.7
605S26.8Very low27.4Very low120 Ų120134.7 Ų134.784%0.83980%0.8SS**  trans-99.7128.8-170.753.80000112.3
606S24.3Very low27.2Very low123 Ų123136.6 Ų136.686%0.8680%0.802SS**  trans-128150.2151.668.30000108.7
607S25.9Very low27.9Very low110 Ų110129.5 Ų129.577%0.76978%0.775SS**  trans-137.2110.9-163.555.60000112.4
608S24.7Very low29.3Very low120 Ų120132.3 Ų132.384%0.83977%0.773SS**  trans-161.2158161.1-830000110.3
609P39.6Very low30.4Very low114 Ų114128.6 Ų128.674%0.7475%0.752SS**  trans-116.277.3-141.139.5-30.3000115.6
610S30Very low32.3Very low117 Ų117120.2 Ų120.282%0.81871%0.713SS**  trans-165.3100162.958.60000114.2
611D22.9Very low34.2Very low152 Ų152118.1 Ų118.181%0.81370%0.699SS**  trans-159.4153.6142.5-148.7-12.5000112.4G613D611-G613 PolarHBondContact O-N 2.67Å
612W33.1Very low36Very low228 Ų228116.1 Ų116.186%0.86470%0.696SS**  trans-83.685.5169.2-78.486000109.5V614W612-V614 PolarHBondContact O-N 3.11Å; W612-V614 VanDerWaalsContact O-N 3.08Å
613G24.8Very low37.8Very low58 Ų58112.1 Ų112.160%0.59867%0.669SS**  trans-42.9116.617900000112.5D611 H615D611-G613 PolarHBondContact O-N 2.67Å; G613-H615 VanDerWaalsContact C-N 3.32Å; G613-H615 PolarHBondContact O-N 2.91Å
614V29.4Very low39Very low121 Ų121109.3 Ų109.373%0.73365%0.649SS**  trans-73.284.3-166.2-1750000110.8W612 L616W612-V614 PolarHBondContact O-N 3.11Å; W612-V614 VanDerWaalsContact O-N 3.08Å; V614-L616 VanDerWaalsContact C-N 3.26Å; V614-L616 HydrophobicContact CG1-CD2 4.38Å; V614-L616 PolarHBondContact O-N 3.34Å
615H28.7Very low40.4Very low171 Ų171111.1 Ų111.179%0.79265%0.648SS**  trans-63.690.4162.4-75.7-77.8000109G613 S617G613-H615 VanDerWaalsContact C-N 3.32Å; G613-H615 PolarHBondContact O-N 2.91Å; H615-S617 PolarHBondContact O-N 3.32Å; H615-S617 PolarHBondContact O-OG 3Å
616L30.6Very low41Very low158 Ų158109.5 Ų109.583%0.82764%0.636SS**  trans-44.8100.4173-72.4170.9000109.3V614 R618V614-L616 VanDerWaalsContact C-N 3.26Å; V614-L616 HydrophobicContact CG1-CD2 4.38Å; V614-L616 PolarHBondContact O-N 3.34Å; L616-R618 PolarHBondContact O-N 3.28Å
617S40.6Very low42.1Very low47 Ų47110.3 Ų110.333%0.32964%0.636SS.*  trans-75.4115.7-175.5-74.60000107.9H615 G619 Y739 K886H615-S617 PolarHBondContact O-N 3.32Å; H615-S617 PolarHBondContact O-OG 3Å; S617-G619 PolarHBondContact O-N 3.33Å; S617-Y739 PolarHBondContact O-OH 2.66Å; S617-K886 PolarHBondContact OG-NZ 3.05Å
618R54.1Low43.3Very low223 Ų223109.5 Ų109.584%0.84262%0.62SS**  trans-52.4109.5169.7-72.3-176.5172-174.1-3.9108L616L616-R618 PolarHBondContact O-N 3.28Å
619G53Low45.3Very low26 Ų26111.1 Ų111.127%0.26862%0.62SS.*  trans-73.7-175.717800000112.3S617S617-G619 PolarHBondContact O-N 3.33Å
620P65.1Low47.5Very low10 Ų10106.5 Ų106.57%0.06559%0.591CS.*SBendtrans-57152167.627.1-36000111.3A634 P666 S883P620-A634 HydrophobicContact CB-CB 4.09Å; P620-P666 HydrophobicContact CB-CB 4.33Å; P620-P666 HydrophobicContact CB-CG 4.38Å; P620-P666 HydrophobicContact CG-CB 3.9Å; P620-P666 HydrophobicContact CG-CG 4.26Å; P620-S883 WeakPolarHBondContact CA-OG 3.38Å
621S63.7Low50.5Low47 Ų47102.9 Ų102.933%0.32956%0.559SS.*PPolyproline II helixtrans-55.8136.5177.3-48.10000111.1P632S621-P632 WeakPolarHBondContact O-CG 3.43Å
622P63.4Low53.8Low119 Ų11995.8 Ų95.877%0.77352%0.522SS*.PPolyproline II helixtrans-55.1147.8170.3-25.234.8000111.9S624P622-S624 PolarHBondContact O-N 3.25Å
623I63.2Low56.8Low45 Ų4584.9 Ų84.923%0.23148%0.481CS..  trans-83.2109.8177.6-60.7-179.2000109.1P632 P666 I669 I672I623-P632 HydrophobicContact CG1-CG 4.21Å; I623-P666 HydrophobicContact CD1-CG 3.96Å; I623-P666 HydrophobicContact CG1-CB 4.43Å; I623-P666 HydrophobicContact CG1-CG 3.95Å; I623-I669 HydrophobicContact CD1-CB 3.9Å; I623-I669 HydrophobicContact CD1-CG1 4.11Å; I623-I672 HydrophobicContact CD1-CD1 3.83Å; I623-I672 HydrophobicContact CG2-CD1 4.29Å
624S50.4Low60.3Low58 Ų5882.3 Ų82.341%0.40645%0.454SS..  trans-77.7126.3163.954.40000109.8P622 S626P622-S624 PolarHBondContact O-N 3.25Å; S624-S626 PolarHBondContact O-N 3.48Å
625L53.7Low63.5Low166 Ų16676.7 Ų76.787%0.86942%0.419SS*.SBendtrans-72.3-7.8179.9-72169000113.9T627L625-T627 PolarHBondContact O-N 3.43Å
626S40.1Very low66.8Low86 Ų8669.3 Ų69.360%0.60139%0.388SS*.SBendtrans-80.999.1170.238.40000111.6S624S624-S626 PolarHBondContact O-N 3.48Å
627T46.9Very low70Confident140 Ų14061.9 Ų61.986%0.85935%0.349SS*.  trans42.486.3159.453.70000116.5L625L625-T627 PolarHBondContact O-N 3.43Å
628Q52.3Low72.7Confident93 Ų9360.1 Ų60.144%0.43534%0.337SS..  trans-129.7129.9160.6-62.7-132.9-38.900110.4A630 R881Q628-A630 PolarHBondContact O-N 3.21Å; Q628-R881 VanDerWaalsContact OE1-NE 3.11Å
629D66.8Low74.8Confident155 Ų15549.5 Ų49.583%0.82930%0.297SS*.SBendtrans-72.3-14.9178.8-59.5-65.3000114.1
630A85.4Confident76.9Confident16 Ų1653.4 Ų53.413%0.13230%0.304CS..SBendtrans-137.7126.9-17300000112.7Q628 T878 R879 R881Q628-A630 PolarHBondContact O-N 3.21Å; A630-T878 VanDerWaalsContact CB-O 3.23Å; A630-T878 WeakPolarHBondContact CB-O 3.32Å; A630-R879 WeakPolarHBondContact CA-O 3.34Å; A630-R881 HydrophobicContact CB-CB 4.01Å; A630-R881 HydrophobicContact CB-CG 4.04Å; A630-R881 PolarHBondContact O-NE 3.38Å
631W91.4Very high78.4Confident41 Ų4152.9 Ų52.916%0.15530%0.301CS..EExtended strand (participates in β ladder)trans-80.7136.6179.5-57.1-43.8000112.3I669 I672 F673 V679 P680 R879 Y880 R881W631-I669 HydrophobicContact CB-CD1 4.12Å; W631-I672 HydrophobicContact CH2-CG2 3.86Å; W631-I672 HydrophobicContact CZ2-CG2 3.51Å; W631-F673 HydrophobicContact CE3-CE1 4.43Å; W631-F673 HydrophobicContact CZ3-CE1 4.34Å; W631-V679 HydrophobicContact CH2-CG1 4.27Å; W631-V679 HydrophobicContact CZ3-CG1 3.76Å; W631-P680 HydrophobicContact CH2-CG 4.03Å; W631-P680 HydrophobicContact CZ3-CG 3.63Å; W631-R879 PolarHBondContact N-O 3.12Å; W631-Y880 HydrophobicContact CB-CD1 4.1Å; W631-Y880 HydrophobicContact CB-CE1 4.35Å; W631-Y880 HydrophobicContact CE3-CD1 4.27Å; W631-Y880 AromaticContact CE3-CE1 3.64Å; W631-Y880 HydrophobicContact CE3-CE1 3.64Å; W631-Y880 HydrophobicContact CE3-CE2 4.36Å; W631-Y880 AromaticContact CE3-CZ 3.67Å; W631-Y880 HydrophobicContact CZ3-CE1 4.39Å; W631-Y880 AromaticContact CZ3-CZ 3.98Å; W631-Y880 CarbonylContact O-C 3.57Å; W631-Y880 VanDerWaalsContact O-CA 3.31Å; W631-Y880 WeakPolarHBondContact O-CA 3.47Å; W631-R881 PolarHBondContact O-N 2.92Å
632P94.2Very high80Confident3 Ų353 Ų532%0.01930%0.298CS..EExtended strand (participates in β ladder)trans-77.3134.3-177.927-30000113.2S621 I623 P666 R881S621-P632 WeakPolarHBondContact O-CG 3.43Å; I623-P632 HydrophobicContact CG1-CG 4.21Å; P632-P666 HydrophobicContact CG-CG 4.31Å; P632-P666 WeakPolarHBondContact O-CD 3.28Å; P632-P666 WeakPolarHBondContact O-CG 3.5Å; P632-R881 WeakPolarHBondContact CA-O 3.1Å; P632-R881 HydrophobicContact CB-CG 4.48Å
633V95.9Very high81.5Confident0 Ų047.5 Ų47.50%026%0.263CS..EExtended strand (participates in β ladder)trans-131.4143.7167.6-1790000107.5M663 F665 L682 Y880 R881 M882 S883V633-M663 HydrophobicContact CG1-CB 4.25Å; V633-M663 HydrophobicContact CG1-CG 4.33Å; V633-M663 HydrophobicContact CG1-SD 4.31Å; V633-F665 HydrophobicContact CG1-CD1 4.43Å; V633-F665 HydrophobicContact CG1-CE1 4.16Å; V633-F665 HydrophobicContact CG1-CZ 4.22Å; V633-F665 HydrophobicContact CG2-CD1 4.11Å; V633-F665 HydrophobicContact CG2-CE1 3.98Å; V633-L682 HydrophobicContact CG2-CD2 4.33Å; V633-Y880 HydrophobicContact CG2-CD1 3.96Å; V633-R881 PolarHBondContact N-O 2.82Å; V633-M882 CarbonylContact O-C 3.57Å; V633-M882 WeakPolarHBondContact O-CA 3.19Å; V633-S883 PolarHBondContact O-N 3.24Å; V633-S883 PolarHBondContact O-OG 2.9Å
634A96.8Very high83Confident4 Ų449.8 Ų49.83%0.03327%0.269CS..EExtended strand (participates in β ladder)trans-110156.517100000110.8P620 M663 S664 L884P620-A634 HydrophobicContact CB-CB 4.09Å; A634-M663 CarbonylContact O-C 3.59Å; A634-M663 VanDerWaalsContact O-CA 3.29Å; A634-M663 WeakPolarHBondContact O-CA 3.3Å; A634-S664 PolarHBondContact N-O 2.9Å; A634-S664 PolarHBondContact O-N 3.07Å; A634-L884 CarbonylContact C-O 3.59Å; A634-L884 WeakPolarHBondContact CA-O 3.48Å; A634-L884 HydrophobicContact CB-CB 4.11Å
635A97.6Very high85Confident2 Ų247.2 Ų47.22%0.01725%0.25CS..EExtended strand (participates in β ladder)trans-121.4150.3172.100000111.1L661 M662 M663 V873 M882 L884 V885 K886A635-L661 HydrophobicContact CB-CD1 4.37Å; A635-M662 CarbonylContact C-O 3.52Å; A635-M662 WeakPolarHBondContact CA-O 2.93Å; A635-M663 HydrophobicContact CB-CG 4.38Å; A635-V873 HydrophobicContact CB-CG1 3.73Å; A635-M882 HydrophobicContact CB-CE 3.75Å; A635-M882 HydrophobicContact CB-SD 3.78Å; A635-L884 PolarHBondContact N-O 3.36Å; A635-V885 CarbonylContact O-C 3.49Å; A635-V885 WeakPolarHBondContact O-CA 3.36Å; A635-K886 PolarHBondContact O-N 3Å
636A97.6Very high86.5Confident17 Ų1745.9 Ų45.914%0.1424%0.238CC..EExtended strand (participates in β ladder)trans-131127.4171.300000110.1M662 K886A636-M662 HydrophobicContact CB-CB 4.43Å; A636-M662 PolarHBondContact N-O 2.62Å; A636-M662 PolarHBondContact O-N 3.38Å; A636-K886 CarbonylContact C-O 3.47Å; A636-K886 VanDerWaalsContact CA-O 3.28Å; A636-K886 WeakPolarHBondContact CA-O 3.28Å; A636-K886 HydrophobicContact CB-CB 4.4Å
637I97.8Very high88Confident1 Ų142.4 Ų42.41%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-107.2116.9174.2-65.2169.7000106.9E639 L661 Y747 M871 V873 V885 K886 K887 R888I637-E639 HydrophobicContact CG2-CG 4.25Å; I637-L661 HydrophobicContact CG1-CD1 3.89Å; I637-Y747 VanDerWaalsContact CG2-OH 3.27Å; I637-Y747 WeakPolarHBondContact CG2-OH 3.38Å; I637-M871 HydrophobicContact CD1-CE 3.72Å; I637-M871 HydrophobicContact CG1-CE 3.83Å; I637-M871 HydrophobicContact CG2-CE 4.19Å; I637-V873 HydrophobicContact CD1-CG1 4.29Å; I637-V885 HydrophobicContact CD1-CG1 4.32Å; I637-K886 PolarHBondContact N-O 3.41Å; I637-K887 HydrophobicContact CB-CG 4.32Å; I637-K887 HydrophobicContact CD1-CD 4.34Å; I637-K887 HydrophobicContact CD1-CG 4.29Å; I637-K887 WeakPolarHBondContact O-CA 3.38Å; I637-R888 PolarHBondContact O-N 3.06Å
638T97.2Very high88.9Confident11 Ų1137.5 Ų37.57%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-118.9119.1177.5-54.90000109.6Y640 G659 D660 R888T638-Y640 HydrophobicContact CG2-CD2 4.47Å; T638-Y640 HydrophobicContact CG2-CE2 3.69Å; T638-G659 WeakPolarHBondContact O-CA 3.5Å; T638-D660 PolarHBondContact N-O 3.22Å; T638-D660 PolarHBondContact O-N 3.2Å; T638-R888 WeakPolarHBondContact CA-O 3.38Å; T638-R888 HydrophobicContact CG2-CG 4.15Å; T638-R888 PolarHBondContact OG1-NE 3.5Å; T638-R888 PolarHBondContact OG1-NH2 2.89Å
639E97.4Very high89.2Confident0 Ų042 Ų420%021%0.214CC..EExtended strand (participates in β ladder)trans-117.4142.5-179.4-71.3177.7170.700113I637 I657 T658 Y747 S867 L868 S869 R888 F889 A890I637-E639 HydrophobicContact CG2-CG 4.25Å; E639-I657 HydrophobicContact CB-CG2 3.92Å; E639-I657 HydrophobicContact CG-CG2 4.09Å; E639-T658 WeakPolarHBondContact CA-O 3.36Å; E639-Y747 HydrophobicContact CG-CE2 4.43Å; E639-Y747 VanDerWaalsContact CG-OH 3.28Å; E639-Y747 WeakPolarHBondContact CG-OH 3.4Å; E639-Y747 PolarHBondContact OE1-OH 2.86Å; E639-S867 VanDerWaalsContact CD-OG 3.26Å; E639-S867 PolarHBondContact OE1-OG 2.82Å; E639-S867 PolarHBondContact OE2-OG 3.19Å; E639-L868 WeakPolarHBondContact OE2-CA 3.39Å; E639-L868 WeakPolarHBondContact OE2-CB 3.43Å; E639-L868 PolarHBondContact OE2-N 3.37Å; E639-S869 WeakPolarHBondContact OE1-CB 3.31Å; E639-S869 PolarHBondContact OE1-OG 2.91Å; E639-S869 PolarHBondContact OE2-N 2.87Å; E639-R888 PolarHBondContact N-O 3.48Å; E639-F889 HydrophobicContact CB-CB 4.01Å; E639-F889 CarbonylContact O-C 3.58Å; E639-F889 WeakPolarHBondContact O-CA 3.41Å; E639-A890 PolarHBondContact O-N 2.95Å
640Y97.4Very high88.9Confident107 Ų10741.5 Ų41.542%0.4221%0.206SC..EExtended strand (participates in β ladder)trans-120116.5174.2-68-85.8000110.1T638 I657 T658 A890T638-Y640 HydrophobicContact CG2-CD2 4.47Å; T638-Y640 HydrophobicContact CG2-CE2 3.69Å; Y640-I657 WeakPolarHBondContact O-CA 3.25Å; Y640-T658 PolarHBondContact N-O 2.66Å; Y640-T658 PolarHBondContact O-N 2.99Å; Y640-A890 WeakPolarHBondContact CA-O 3.48Å; Y640-A890 HydrophobicContact CD1-CB 4.22Å; Y640-A890 HydrophobicContact CE1-CB 4.16Å
641I96.7Very high87.8Confident0 Ų043.2 Ų43.20%021%0.213CC..EExtended strand (participates in β ladder)trans-97.9123.1179.1-175.1164.7000111.4V655 I657 P758 F861 L868 A890 G892 Y894I641-V655 HydrophobicContact CD1-CG1 3.82Å; I641-V655 HydrophobicContact CG1-CG1 4.11Å; I641-I657 HydrophobicContact CB-CG1 4.21Å; I641-I657 HydrophobicContact CD1-CG1 4.03Å; I641-I657 HydrophobicContact CG1-CG1 4Å; I641-P758 HydrophobicContact CD1-CG 4.34Å; I641-F861 HydrophobicContact CG2-CE2 4.14Å; I641-F861 HydrophobicContact CG2-CZ 4.11Å; I641-L868 HydrophobicContact CB-CD1 3.69Å; I641-L868 HydrophobicContact CD1-CD1 4Å; I641-L868 HydrophobicContact CG1-CD1 4.44Å; I641-L868 HydrophobicContact CG2-CD1 3.63Å; I641-A890 PolarHBondContact N-O 3.26Å; I641-G892 PolarHBondContact O-N 3.02Å; I641-Y894 HydrophobicContact CD1-CE2 3.97Å; I641-Y894 HydrophobicContact CG1-CD2 4.22Å; I641-Y894 HydrophobicContact CG1-CE2 3.98Å; I641-Y894 HydrophobicContact CG2-CD2 4.11Å; I641-Y894 HydrophobicContact CG2-CE2 4.16Å
642N96.8Very high87.3Confident48 Ų4849.3 Ų49.326%0.25724%0.236SC..EExtended strand (participates in β ladder)trans-102.8140165.6-54.3-88.2000107.9K656 K893N642-K656 PolarHBondContact N-O 2.88Å; N642-K656 PolarHBondContact ND2-O 3.48Å; N642-K656 PolarHBondContact O-N 3.28Å; N642-K893 CarbonylContact C-O 3.6Å; N642-K893 WeakPolarHBondContact CA-O 3.47Å; N642-K893 WeakPolarHBondContact CB-O 3.44Å; N642-K893 PolarHBondContact OD1-N 3.16Å
643A95.6Very high87.1Confident5 Ų549.2 Ų49.24%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-142.8146.4174.700000110.8F645 L654 K893 Y894 M895A643-F645 HydrophobicContact CB-CD2 4.48Å; A643-F645 HydrophobicContact CB-CE2 3.94Å; A643-L654 CarbonylContact C-O 3.59Å; A643-L654 WeakPolarHBondContact CA-O 3.17Å; A643-K893 PolarHBondContact N-O 2.88Å; A643-Y894 HydrophobicContact CB-CD1 4.14Å; A643-Y894 HydrophobicContact CB-CD2 3.5Å; A643-Y894 VanDerWaalsContact CB-CD2 3.5Å; A643-Y894 HydrophobicContact CB-CE1 4.11Å; A643-Y894 HydrophobicContact CB-CE2 3.46Å; A643-Y894 VanDerWaalsContact CB-CE2 3.46Å; A643-Y894 HydrophobicContact CB-CG 3.86Å; A643-Y894 CarbonylContact O-C 3.52Å; A643-Y894 WeakPolarHBondContact O-CA 3.15Å; A643-M895 PolarHBondContact O-N 2.61Å
644Y94.5Very high86.9Confident93 Ų9353.9 Ų53.937%0.36526%0.259SS..EExtended strand (participates in β ladder)trans-134.7113.1169.5-177.2-93000109.9K646 C653 L654 M895Y644-K646 HydrophobicContact CD1-CB 4.43Å; Y644-K646 HydrophobicContact CE1-CB 3.9Å; Y644-K646 HydrophobicContact CE1-CG 4.11Å; Y644-C653 CarbonylContact O-C 3.59Å; Y644-C653 WeakPolarHBondContact O-CA 3.33Å; Y644-L654 PolarHBondContact N-O 2.61Å; Y644-L654 PolarHBondContact O-N 2.94Å; Y644-M895 WeakPolarHBondContact CA-O 3.47Å; Y644-M895 HydrophobicContact CD2-CB 3.84Å; Y644-M895 HydrophobicContact CE2-CB 4.45Å
645F92.6Very high86.8Confident3 Ų354 Ų541%0.01326%0.26CS..EExtended strand (participates in β ladder)trans-93.8124.5171.8-62.4-98.9000108.4A643 C653 A757 L760 L761 Y894 M895 A896 G897A643-F645 HydrophobicContact CB-CD2 4.48Å; A643-F645 HydrophobicContact CB-CE2 3.94Å; F645-C653 HydrophobicContact CD1-CB 4.04Å; F645-C653 HydrophobicContact CE1-CB 4.09Å; F645-C653 VanDerWaalsContact CE1-SG 3.5Å; F645-C653 VanDerWaalsContact CZ-SG 3.6Å; F645-A757 HydrophobicContact CE1-CB 4.5Å; F645-A757 HydrophobicContact CZ-CB 3.68Å; F645-L760 HydrophobicContact CE1-CB 4.38Å; F645-L760 HydrophobicContact CE1-CG 4.44Å; F645-L761 HydrophobicContact CB-CB 4.46Å; F645-L761 HydrophobicContact CD1-CB 4.47Å; F645-L761 WeakPolarHBondContact CD1-O 3.46Å; F645-L761 HydrophobicContact CD2-CB 3.84Å; F645-L761 HydrophobicContact CD2-CD1 4.01Å; F645-L761 HydrophobicContact CD2-CG 4.1Å; F645-L761 HydrophobicContact CE2-CB 4.15Å; F645-L761 HydrophobicContact CE2-CD1 4.14Å; F645-L761 HydrophobicContact CE2-CG 4.04Å; F645-L761 HydrophobicContact CG-CB 4.02Å; F645-Y894 AromaticContact CE2-CE1 3.82Å; F645-Y894 HydrophobicContact CE2-CE1 3.82Å; F645-M895 PolarHBondContact N-O 2.95Å; F645-A896 HydrophobicContact CB-CB 4.37Å; F645-G897 PolarHBondContact O-N 3.25Å
646K85.1Confident86.8Confident139 Ų13957.9 Ų57.960%0.60428%0.277SS*.  trans-86.4-14.1-170.9-169.4166.8-179.6179.10114.8Y644 R652 G897Y644-K646 HydrophobicContact CD1-CB 4.43Å; Y644-K646 HydrophobicContact CE1-CB 3.9Å; Y644-K646 HydrophobicContact CE1-CG 4.11Å; K646-R652 WeakPolarHBondContact CB-O 3.18Å; K646-R652 PolarHBondContact N-O 2.93Å; K646-G897 CarbonylContact C-O 3.56Å
647G71.9Confident86.7Confident12 Ų1257.2 Ų57.212%0.12427%0.271CS..  trans72.7-179.6-173.800000113.9
648G66.7Low86.7Confident37 Ų3759.8 Ų59.838%0.38129%0.286SS..SBendtrans69.2-174.7177.500000116.5H650 N651 S899G648-H650 PolarHBondContact O-N 3.34Å; G648-N651 PolarHBondContact O-N 3.04Å; G648-S899 PolarHBondContact N-OG 3.13Å
649Q57.4Low86.7Confident189 Ų18959.3 Ų59.388%0.88328%0.284SS*.THydrogen-bonded Turntrans-46.8-15.1-169.1-72.3-91.1-22.700118.2
650H61.2Low86.7Confident144 Ų14461.1 Ų61.167%0.66729%0.294SS*.THydrogen-bonded Turntrans-129.54.8-178.8-59.4-31.9000113.8G648 R652G648-H650 PolarHBondContact O-N 3.34Å; H650-R652 HydrophobicContact CB-CG 4.2Å; H650-R652 PolarHBondContact O-N 3.04Å
651N61.7Low86.7Confident52 Ų5256 Ų5628%0.27827%0.274SS..  trans19.655.5-176-158.67.8000115.9G648 C653 L761G648-N651 PolarHBondContact O-N 3.04Å; N651-C653 PolarHBondContact O-N 3.39Å; N651-L761 PolarHBondContact ND2-O 2.87Å
652R81.6Confident86.7Confident168 Ų16858.6 Ų58.663%0.63429%0.286SS*.  trans-68.9130.6-173.8-64.5-171.9-174.8179.12.9109.8K646 H650K646-R652 WeakPolarHBondContact CB-O 3.18Å; K646-R652 PolarHBondContact N-O 2.93Å; H650-R652 HydrophobicContact CB-CG 4.2Å; H650-R652 PolarHBondContact O-N 3.04Å
653C88.9Confident86.8Confident1 Ų156.3 Ų56.31%0.00727%0.274CS..EExtended strand (participates in β ladder)trans-104.4151.2175.1-164.60000110.4Y644 F645 N651 Q752 P754Y644-C653 CarbonylContact O-C 3.59Å; Y644-C653 WeakPolarHBondContact O-CA 3.33Å; F645-C653 HydrophobicContact CD1-CB 4.04Å; F645-C653 HydrophobicContact CE1-CB 4.09Å; F645-C653 VanDerWaalsContact CE1-SG 3.5Å; F645-C653 VanDerWaalsContact CZ-SG 3.6Å; N651-C653 PolarHBondContact O-N 3.39Å; C653-Q752 WeakPolarHBondContact O-CA 3.45Å; C653-P754 HydrophobicContact CB-CB 4.16Å; C653-P754 HydrophobicContact CB-CG 3.87Å
654L93.6Very high86.9Confident98 Ų9856.7 Ų56.751%0.51328%0.276SS..EExtended strand (participates in β ladder)trans-123.8121.1162.5-65.1175.7000107.6A643 Y644 Q752A643-L654 CarbonylContact C-O 3.59Å; A643-L654 WeakPolarHBondContact CA-O 3.17Å; Y644-L654 PolarHBondContact N-O 2.61Å; Y644-L654 PolarHBondContact O-N 2.94Å; L654-Q752 HydrophobicContact CD2-CG 3.94Å
655V94.5Very high86.9Confident7 Ų752.3 Ų52.34%0.04226%0.259CS..EExtended strand (participates in β ladder)trans-116.4130.7179.7-176.10000109.3I641 I657 S751 R756 A757I641-V655 HydrophobicContact CD1-CG1 3.82Å; I641-V655 HydrophobicContact CG1-CG1 4.11Å; V655-I657 HydrophobicContact CG1-CG1 4.36Å; V655-S751 PolarHBondContact N-O 3.41Å; V655-S751 PolarHBondContact O-N 3.01Å; V655-R756 HydrophobicContact CB-CB 4.42Å; V655-R756 HydrophobicContact CG1-CB 4.26Å; V655-R756 HydrophobicContact CG2-CB 4.44Å; V655-A757 HydrophobicContact CG2-CB 4.06Å
656K96.4Very high87.1Confident84 Ų8452.3 Ų52.337%0.36526%0.259SS..EExtended strand (participates in β ladder)trans-133.5113.8170169.5167.7163.7158.80110.6N642 Q748 V749N642-K656 PolarHBondContact N-O 2.88Å; N642-K656 PolarHBondContact ND2-O 3.48Å; N642-K656 PolarHBondContact O-N 3.28Å; K656-Q748 HydrophobicContact CD-CG 4.3Å; K656-Q748 VanDerWaalsContact CE-CD 3.45Å; K656-Q748 VanDerWaalsContact CE-OE1 3.25Å; K656-Q748 HydrophobicContact CG-CG 4.21Å; K656-Q748 VanDerWaalsContact NZ-CD 3.3Å; K656-V749 WeakPolarHBondContact CA-O 3.35Å
657I96.4Very high87.4Confident3 Ų346.7 Ų46.72%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-97.3129.7171.6-53.2160.5000107.6E639 Y640 I641 V655 Q748 V749 L868E639-I657 HydrophobicContact CB-CG2 3.92Å; E639-I657 HydrophobicContact CG-CG2 4.09Å; Y640-I657 WeakPolarHBondContact O-CA 3.25Å; I641-I657 HydrophobicContact CB-CG1 4.21Å; I641-I657 HydrophobicContact CD1-CG1 4.03Å; I641-I657 HydrophobicContact CG1-CG1 4Å; V655-I657 HydrophobicContact CG1-CG1 4.36Å; I657-Q748 WeakPolarHBondContact O-CA 3.49Å; I657-V749 HydrophobicContact CB-CB 4.14Å; I657-V749 HydrophobicContact CD1-CB 4.38Å; I657-V749 PolarHBondContact N-O 3.15Å; I657-V749 PolarHBondContact O-N 2.71Å; I657-L868 HydrophobicContact CD1-CB 3.74Å; I657-L868 HydrophobicContact CG1-CB 4.46Å
658T97.3Very high88.3Confident54 Ų5447.8 Ų47.833%0.33125%0.25SS..EExtended strand (participates in β ladder)trans-115123.3171.4-46.10000108.2E639 Y640E639-T658 WeakPolarHBondContact CA-O 3.36Å; Y640-T658 PolarHBondContact N-O 2.66Å; Y640-T658 PolarHBondContact O-N 2.99Å
659G97.2Very high89.4Confident2 Ų246 Ų462%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-116.5149.4-176.400000113.6T638 K746 Y747T638-G659 WeakPolarHBondContact O-CA 3.5Å; G659-K746 CarbonylContact O-C 3.56Å; G659-K746 WeakPolarHBondContact O-CA 3.44Å; G659-Y747 PolarHBondContact N-O 2.89Å; G659-Y747 PolarHBondContact O-N 3.43Å
660D97Very high91Very high38 Ų3838.2 Ų38.220%0.20320%0.197CC..EExtended strand (participates in β ladder)trans-127.8122.2175-170.361.9000108.8T638 K746T638-D660 PolarHBondContact N-O 3.22Å; T638-D660 PolarHBondContact O-N 3.2Å; D660-K746 HydrophobicContact CB-CG 4.46Å; D660-K746 WeakPolarHBondContact OD1-CE 3.24Å; D660-K746 WeakPolarHBondContact OD1-CG 3.28Å
661L97.9Very high92.2Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-100.4121.8172.3175.163.3000109A635 I637 F684 L686 V744 L745 M871 V873A635-L661 HydrophobicContact CB-CD1 4.37Å; I637-L661 HydrophobicContact CG1-CD1 3.89Å; L661-F684 HydrophobicContact CD2-CE2 4.16Å; L661-L686 HydrophobicContact CD2-CD2 3.57Å; L661-V744 HydrophobicContact CD2-CG1 4.3Å; L661-V744 HydrophobicContact CG-CB 4.29Å; L661-V744 WeakPolarHBondContact O-CB 3.36Å; L661-V744 PolarHBondContact O-N 2.82Å; L661-L745 HydrophobicContact CB-CB 4.47Å; L661-L745 HydrophobicContact CB-CD2 4.25Å; L661-L745 WeakPolarHBondContact CB-O 3.48Å; L661-L745 HydrophobicContact CD2-CD2 4.49Å; L661-L745 PolarHBondContact N-O 2.95Å; L661-L745 PolarHBondContact O-N 3.08Å; L661-M871 HydrophobicContact CB-CE 4.44Å; L661-V873 HydrophobicContact CD1-CG1 4.08Å; L661-V873 HydrophobicContact CD2-CG2 4.46Å
662M97.4Very high93.4Very high54 Ų5440.3 Ų40.327%0.26620%0.198SC..EExtended strand (participates in β ladder)trans-120.4144179.1-179.8178.5-71.700109.4A635 A636 N741 V742A635-M662 CarbonylContact C-O 3.52Å; A635-M662 WeakPolarHBondContact CA-O 2.93Å; A636-M662 HydrophobicContact CB-CB 4.43Å; A636-M662 PolarHBondContact N-O 2.62Å; A636-M662 PolarHBondContact O-N 3.38Å; M662-N741 HydrophobicContact CG-CB 4.19Å; M662-N741 HydrophobicContact SD-CB 3.73Å; M662-V742 CarbonylContact C-O 3.51Å; M662-V742 VanDerWaalsContact CA-O 3.32Å; M662-V742 WeakPolarHBondContact CA-O 3.15Å; M662-V742 WeakPolarHBondContact CG-O 3.5Å
663M97.7Very high93.7Very high0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-117.5137.8170.1-82.8-179.4156.200110.5V633 A634 A635 F665 F684 F718 V742 V744 V873 L875 M882V633-M663 HydrophobicContact CG1-CB 4.25Å; V633-M663 HydrophobicContact CG1-CG 4.33Å; V633-M663 HydrophobicContact CG1-SD 4.31Å; A634-M663 CarbonylContact O-C 3.59Å; A634-M663 VanDerWaalsContact O-CA 3.29Å; A634-M663 WeakPolarHBondContact O-CA 3.3Å; A635-M663 HydrophobicContact CB-CG 4.38Å; M663-F665 HydrophobicContact CB-CD2 4.49Å; M663-F665 HydrophobicContact CB-CE2 3.73Å; M663-F665 HydrophobicContact CB-CZ 4.28Å; M663-F684 HydrophobicContact CE-CB 3.99Å; M663-F684 HydrophobicContact CE-CD1 4.05Å; M663-F684 HydrophobicContact CE-CG 4.03Å; M663-F684 HydrophobicContact SD-CD1 4.29Å; M663-F718 HydrophobicContact SD-CE2 3.64Å; M663-F718 HydrophobicContact SD-CZ 3.75Å; M663-V742 PolarHBondContact N-O 2.97Å; M663-V742 PolarHBondContact O-N 2.99Å; M663-V744 HydrophobicContact CB-CG2 3.75Å; M663-V744 HydrophobicContact CG-CG2 3.87Å; M663-V744 HydrophobicContact SD-CG2 4.25Å; M663-V873 HydrophobicContact CE-CG2 4.38Å; M663-L875 HydrophobicContact CE-CD2 3.72Å; M663-M882 HydrophobicContact CE-CE 4.1Å
664S97.3Very high93.6Very high13 Ų1336.5 Ų36.59%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-111.9126.5-178.4-53.20000110A634 Y740 N741A634-S664 PolarHBondContact N-O 2.9Å; A634-S664 PolarHBondContact O-N 3.07Å; S664-Y740 CarbonylContact C-O 3.58Å; S664-Y740 WeakPolarHBondContact CA-O 3.45Å; S664-N741 WeakPolarHBondContact CB-OD1 3.13Å; S664-N741 PolarHBondContact OG-OD1 3.25Å
665F96.1Very high93.2Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-112.6126.4-174.5-69.1-95.5000109.7V633 M663 I669 L682 F718 L723 L727 Y739 Y740 V742V633-F665 HydrophobicContact CG1-CD1 4.43Å; V633-F665 HydrophobicContact CG1-CE1 4.16Å; V633-F665 HydrophobicContact CG1-CZ 4.22Å; V633-F665 HydrophobicContact CG2-CD1 4.11Å; V633-F665 HydrophobicContact CG2-CE1 3.98Å; M663-F665 HydrophobicContact CB-CD2 4.49Å; M663-F665 HydrophobicContact CB-CE2 3.73Å; M663-F665 HydrophobicContact CB-CZ 4.28Å; F665-I669 HydrophobicContact CB-CG2 4.1Å; F665-I669 HydrophobicContact CD1-CG2 4.4Å; F665-L682 HydrophobicContact CE1-CD2 3.59Å; F665-L682 HydrophobicContact CZ-CD2 3.68Å; F665-F718 HydrophobicContact CZ-CZ 4.28Å; F665-L723 HydrophobicContact CE1-CD1 4.47Å; F665-L723 HydrophobicContact CE1-CD2 3.94Å; F665-L723 HydrophobicContact CE2-CD1 4.14Å; F665-L723 HydrophobicContact CZ-CD1 3.98Å; F665-L723 HydrophobicContact CZ-CD2 3.98Å; F665-L727 HydrophobicContact CB-CD1 4.15Å; F665-L727 HydrophobicContact CB-CD2 3.85Å; F665-L727 HydrophobicContact CD1-CD1 4.01Å; F665-L727 HydrophobicContact CD2-CD1 4.49Å; F665-L727 HydrophobicContact CD2-CD2 4.04Å; F665-L727 HydrophobicContact CG-CD1 3.96Å; F665-L727 HydrophobicContact CG-CD2 4.01Å; F665-Y739 CarbonylContact O-C 3.49Å; F665-Y739 WeakPolarHBondContact O-CA 3.38Å; F665-Y739 VanDerWaalsContact O-CB 3.29Å; F665-Y739 WeakPolarHBondContact O-CB 3.28Å; F665-Y740 PolarHBondContact N-O 3.05Å; F665-Y740 PolarHBondContact O-N 3.43Å; F665-V742 HydrophobicContact CD2-CB 4.37Å; F665-V742 HydrophobicContact CD2-CG2 3.61Å; F665-V742 HydrophobicContact CE2-CB 3.99Å; F665-V742 HydrophobicContact CE2-CG2 3.57Å
666P95.1Very high92.4Very high3 Ų338.6 Ų38.62%0.01922%0.217CC..EExtended strand (participates in β ladder)trans-67.4139.1-179.528.9-33.9000110.1P620 I623 P632 G668 I669P620-P666 HydrophobicContact CB-CB 4.33Å; P620-P666 HydrophobicContact CB-CG 4.38Å; P620-P666 HydrophobicContact CG-CB 3.9Å; P620-P666 HydrophobicContact CG-CG 4.26Å; I623-P666 HydrophobicContact CD1-CG 3.96Å; I623-P666 HydrophobicContact CG1-CB 4.43Å; I623-P666 HydrophobicContact CG1-CG 3.95Å; P632-P666 HydrophobicContact CG-CG 4.31Å; P632-P666 WeakPolarHBondContact O-CD 3.28Å; P632-P666 WeakPolarHBondContact O-CG 3.5Å; P666-G668 PolarHBondContact O-N 2.95Å; P666-I669 HydrophobicContact CG-CB 4.39Å; P666-I669 WeakPolarHBondContact O-CB 3.46Å; P666-I669 VanDerWaalsContact O-CG2 3.31Å; P666-I669 WeakPolarHBondContact O-CG2 3.26Å; P666-I669 PolarHBondContact O-N 2.69Å
667A92.4Very high91.2Very high21 Ų2139.6 Ų39.617%0.17423%0.231CC..THydrogen-bonded Turntrans-57.9-31-168.200000114.1I669 T670 A737 S738 Y740A667-I669 PolarHBondContact O-N 3.01Å; A667-T670 WeakPolarHBondContact O-CG2 3.43Å; A667-T670 PolarHBondContact O-N 3.05Å; A667-T670 PolarHBondContact O-OG1 3.39Å; A667-A737 VanDerWaalsContact CB-O 3.26Å; A667-A737 WeakPolarHBondContact CB-O 3.45Å; A667-S738 WeakPolarHBondContact CB-O 3.41Å; A667-S738 PolarHBondContact N-O 2.89Å; A667-Y740 HydrophobicContact CB-CD2 4.44Å; A667-Y740 HydrophobicContact CB-CE2 3.63Å
668G89.9Confident90.4Very high35 Ų3545.9 Ų45.936%0.36127%0.265SS..THydrogen-bonded Turntrans-61.7-19.8175.200000115.4P666 T670 R671P666-G668 PolarHBondContact O-N 2.95Å; G668-T670 VanDerWaalsContact C-N 3.26Å; G668-T670 PolarHBondContact O-N 2.84Å; G668-R671 PolarHBondContact O-N 3.25Å
669I90.6Very high89.9Confident0 Ų044.1 Ų44.10%026%0.255CS..Hα-helixtrans-69.8-24.9-179.3-147.2173.3000112.5I623 W631 F665 P666 A667 R671 I672 F673 L727 Y880I623-I669 HydrophobicContact CD1-CB 3.9Å; I623-I669 HydrophobicContact CD1-CG1 4.11Å; W631-I669 HydrophobicContact CB-CD1 4.12Å; F665-I669 HydrophobicContact CB-CG2 4.1Å; F665-I669 HydrophobicContact CD1-CG2 4.4Å; P666-I669 HydrophobicContact CG-CB 4.39Å; P666-I669 WeakPolarHBondContact O-CB 3.46Å; P666-I669 VanDerWaalsContact O-CG2 3.31Å; P666-I669 WeakPolarHBondContact O-CG2 3.26Å; P666-I669 PolarHBondContact O-N 2.69Å; A667-I669 PolarHBondContact O-N 3.01Å; I669-R671 VanDerWaalsContact C-N 3.31Å; I669-R671 PolarHBondContact O-N 2.87Å; I669-I672 WeakPolarHBondContact O-CB 3.39Å; I669-I672 PolarHBondContact O-N 3.02Å; I669-I672 VanDerWaalsContact O-N 3.1Å; I669-F673 HydrophobicContact CD1-CE1 3.8Å; I669-F673 HydrophobicContact CD1-CZ 3.64Å; I669-F673 HydrophobicContact CG1-CD1 4.23Å; I669-F673 HydrophobicContact CG1-CE1 3.64Å; I669-F673 HydrophobicContact CG1-CZ 3.82Å; I669-F673 HydrophobicContact CG2-CE2 4.4Å; I669-F673 HydrophobicContact CG2-CZ 4.45Å; I669-F673 PolarHBondContact O-N 3.09Å; I669-L727 HydrophobicContact CG2-CD1 4.32Å; I669-Y880 HydrophobicContact CD1-CE1 4.23Å
670T89.8Confident89.6Confident25 Ų2545.6 Ų45.615%0.15326%0.264CS..Hα-helixtrans-54.6-47.4173.756.50000111.3A667 G668 I672 F673 T674 L727 A731 Y740A667-T670 WeakPolarHBondContact O-CG2 3.43Å; A667-T670 PolarHBondContact O-N 3.05Å; A667-T670 PolarHBondContact O-OG1 3.39Å; G668-T670 VanDerWaalsContact C-N 3.26Å; G668-T670 PolarHBondContact O-N 2.84Å; T670-I672 VanDerWaalsContact C-N 3.29Å; T670-I672 PolarHBondContact O-N 3.18Å; T670-F673 PolarHBondContact O-N 2.91Å; T670-T674 PolarHBondContact O-N 3.13Å; T670-T674 PolarHBondContact O-OG1 3.47Å; T670-L727 HydrophobicContact CG2-CB 4.13Å; T670-A731 HydrophobicContact CG2-CB 4.33Å; T670-Y740 HydrophobicContact CG2-CD2 4.19Å; T670-Y740 HydrophobicContact CG2-CE2 3.88Å
671R87.4Confident89.5Confident204 Ų20447.6 Ų47.677%0.7728%0.277SS*.Hα-helixtrans-62.3-35.8177.9-60.2-175.7-177.6-177.70.6112.1G668 I669 A675G668-R671 PolarHBondContact O-N 3.25Å; I669-R671 VanDerWaalsContact C-N 3.31Å; I669-R671 PolarHBondContact O-N 2.87Å; R671-A675 WeakPolarHBondContact O-CB 3.4Å; R671-A675 PolarHBondContact O-N 3.37Å
672I86.9Confident89.4Confident37 Ų3747.6 Ų47.619%0.1928%0.277CS..Hα-helixtrans-68.8-44.3178.1-59.4179.2000110.6I623 W631 I669 T670 A675 N676I623-I672 HydrophobicContact CD1-CD1 3.83Å; I623-I672 HydrophobicContact CG2-CD1 4.29Å; W631-I672 HydrophobicContact CH2-CG2 3.86Å; W631-I672 HydrophobicContact CZ2-CG2 3.51Å; I669-I672 WeakPolarHBondContact O-CB 3.39Å; I669-I672 PolarHBondContact O-N 3.02Å; I669-I672 VanDerWaalsContact O-N 3.1Å; T670-I672 VanDerWaalsContact C-N 3.29Å; T670-I672 PolarHBondContact O-N 3.18Å; I672-A675 PolarHBondContact O-N 2.72Å; I672-N676 PolarHBondContact O-N 2.94Å
673F88.8Confident89.4Confident1 Ų145.8 Ų45.80%0.00427%0.27CS..Hα-helixtrans-68.1-38.6178.4-64.1-3.7000111.4W631 I669 T670 V679 M720 L723 Q724 L727 Y880W631-F673 HydrophobicContact CE3-CE1 4.43Å; W631-F673 HydrophobicContact CZ3-CE1 4.34Å; I669-F673 HydrophobicContact CD1-CE1 3.8Å; I669-F673 HydrophobicContact CD1-CZ 3.64Å; I669-F673 HydrophobicContact CG1-CD1 4.23Å; I669-F673 HydrophobicContact CG1-CE1 3.64Å; I669-F673 HydrophobicContact CG1-CZ 3.82Å; I669-F673 HydrophobicContact CG2-CE2 4.4Å; I669-F673 HydrophobicContact CG2-CZ 4.45Å; I669-F673 PolarHBondContact O-N 3.09Å; T670-F673 PolarHBondContact O-N 2.91Å; F673-V679 HydrophobicContact CB-CG2 4.21Å; F673-V679 HydrophobicContact CD1-CB 4.43Å; F673-V679 HydrophobicContact CD1-CG1 3.56Å; F673-V679 HydrophobicContact CD1-CG2 3.92Å; F673-V679 HydrophobicContact CE1-CG1 3.53Å; F673-V679 HydrophobicContact CG-CG1 4.43Å; F673-V679 HydrophobicContact CG-CG2 4.24Å; F673-V679 HydrophobicContact CZ-CG1 4.37Å; F673-M720 HydrophobicContact CE1-CE 4.3Å; F673-M720 HydrophobicContact CE2-CE 4.14Å; F673-M720 HydrophobicContact CZ-CE 3.87Å; F673-L723 HydrophobicContact CE2-CD2 4.13Å; F673-L723 HydrophobicContact CE2-CG 4.45Å; F673-Q724 HydrophobicContact CB-CB 4.33Å; F673-Q724 HydrophobicContact CB-CG 3.94Å; F673-Q724 HydrophobicContact CD2-CB 4.4Å; F673-Q724 PolarHBondContact O-NE2 3.2Å; F673-Q724 VanDerWaalsContact O-NE2 3.11Å; F673-L727 HydrophobicContact CD2-CD1 4.25Å; F673-L727 HydrophobicContact CE2-CD1 3.89Å; F673-Y880 HydrophobicContact CE1-CE1 4.49Å; F673-Y880 HydrophobicContact CZ-CE1 4.32Å
674T86Confident89.4Confident87 Ų8745.8 Ų45.853%0.53427%0.27SS..Hα-helixtrans-72.3-28.9176.1-59.80000113.6T670 Q724T670-T674 PolarHBondContact O-N 3.13Å; T670-T674 PolarHBondContact O-OG1 3.47Å; T674-Q724 PolarHBondContact OG1-NE2 3.3Å
675A84.4Confident89.4Confident86 Ų8648.7 Ų48.771%0.71128%0.279SS*.Hα-helixtrans-81.6-14.1177.300000114.6R671 I672R671-A675 WeakPolarHBondContact O-CB 3.4Å; R671-A675 PolarHBondContact O-N 3.37Å; I672-A675 PolarHBondContact O-N 2.72Å
676N79.3Confident89.4Confident64 Ų6448.7 Ų48.734%0.34228%0.279SS..  trans-140.7109.5-177.3179.56.1000111.6I672 N678 V679I672-N676 PolarHBondContact O-N 2.94Å; N676-N678 PolarHBondContact O-N 3.06Å; N676-N678 WeakPolarHBondContact OD1-CA 3.42Å; N676-N678 PolarHBondContact OD1-N 2.79Å; N676-V679 WeakPolarHBondContact O-CG2 3.39Å
677P69.3Low89.5Confident104 Ų10450 Ų5068%0.67529%0.286SS*.SBendtrans-68.5-18.317929.3-35.6000113.6V679P677-V679 PolarHBondContact O-N 2.75Å
678N80.4Confident89.6Confident135 Ų13552.9 Ų52.972%0.72230%0.299SS*.  trans-99.951.8-179.9-67.5-42.2000111.2N676N676-N678 PolarHBondContact O-N 3.06Å; N676-N678 WeakPolarHBondContact OD1-CA 3.42Å; N676-N678 PolarHBondContact OD1-N 2.79Å
679V86.5Confident89.8Confident18 Ų1851.7 Ų51.711%0.10928%0.284CS..PPolyproline II helixtrans-63.3130.6173-165.30000109.5W631 F673 N676 P677 M720 Y880W631-V679 HydrophobicContact CH2-CG1 4.27Å; W631-V679 HydrophobicContact CZ3-CG1 3.76Å; F673-V679 HydrophobicContact CB-CG2 4.21Å; F673-V679 HydrophobicContact CD1-CB 4.43Å; F673-V679 HydrophobicContact CD1-CG1 3.56Å; F673-V679 HydrophobicContact CD1-CG2 3.92Å; F673-V679 HydrophobicContact CE1-CG1 3.53Å; F673-V679 HydrophobicContact CG-CG1 4.43Å; F673-V679 HydrophobicContact CG-CG2 4.24Å; F673-V679 HydrophobicContact CZ-CG1 4.37Å; N676-V679 WeakPolarHBondContact O-CG2 3.39Å; P677-V679 PolarHBondContact O-N 2.75Å; V679-M720 HydrophobicContact CB-CE 4.28Å; V679-M720 HydrophobicContact CG1-CE 3.68Å; V679-Y880 WeakPolarHBondContact CG1-OH 3.07Å
680P91Very high89.9Confident33 Ų3355.4 Ų55.421%0.21431%0.31CS..PPolyproline II helixtrans-58.7142.6170.225.8-35000110.6W631 L682 R879 Y880W631-P680 HydrophobicContact CH2-CG 4.03Å; W631-P680 HydrophobicContact CZ3-CG 3.63Å; P680-L682 PolarHBondContact O-N 3.48Å; P680-R879 HydrophobicContact CB-CB 4.15Å; P680-R879 HydrophobicContact CB-CG 4.12Å; P680-R879 HydrophobicContact CG-CB 3.93Å; P680-R879 HydrophobicContact CG-CG 4.23Å; P680-Y880 HydrophobicContact CG-CE2 4.29Å; P680-Y880 WeakPolarHBondContact O-CE2 3.38Å; P680-Y880 PolarHBondContact O-OH 3.25Å; P680-Y880 VanDerWaalsContact O-OH 3.11Å
681V94.6Very high90Very high79 Ų7960.1 Ų60.148%0.47933%0.325SS..PPolyproline II helixtrans-65.4128.2-179.6178.80000110.4W717 M720V681-W717 HydrophobicContact CG1-CB 4.02Å; V681-W717 HydrophobicContact CG1-CG 4.49Å; V681-M720 HydrophobicContact CG2-CG 4.38Å
682L96.4Very high90.3Very high1 Ų151.4 Ų51.41%0.00529%0.294CS..PPolyproline II helixtrans-76.8121.9166.1174.260.2000109.2V633 F665 P680 F718 M720 L875 Y880V633-L682 HydrophobicContact CG2-CD2 4.33Å; F665-L682 HydrophobicContact CE1-CD2 3.59Å; F665-L682 HydrophobicContact CZ-CD2 3.68Å; P680-L682 PolarHBondContact O-N 3.48Å; L682-F718 HydrophobicContact CB-CB 4.4Å; L682-F718 HydrophobicContact CB-CD2 4.03Å; L682-F718 HydrophobicContact CD2-CD2 3.65Å; L682-F718 HydrophobicContact CD2-CE2 3.7Å; L682-F718 HydrophobicContact CD2-CG 4.4Å; L682-F718 HydrophobicContact CG-CD2 3.64Å; L682-F718 HydrophobicContact CG-CE2 4.02Å; L682-F718 PolarHBondContact O-N 3.45Å; L682-M720 HydrophobicContact CB-CE 4.38Å; L682-M720 HydrophobicContact CB-SD 3.99Å; L682-M720 PolarHBondContact N-SD 3.47Å; L682-M720 VanDerWaalsContact N-SD 3.37Å; L682-L875 HydrophobicContact CD1-CD1 4.41Å; L682-L875 HydrophobicContact CD1-CD2 4.1Å; L682-Y880 HydrophobicContact CB-CD2 4.11Å; L682-Y880 HydrophobicContact CB-CE1 4.3Å; L682-Y880 HydrophobicContact CB-CE2 3.79Å; L682-Y880 HydrophobicContact CD1-CD1 3.95Å; L682-Y880 HydrophobicContact CD1-CD2 3.82Å; L682-Y880 HydrophobicContact CD1-CE1 4.44Å; L682-Y880 HydrophobicContact CD1-CE2 4.35Å; L682-Y880 HydrophobicContact CD1-CG 3.6Å
683S97.1Very high90.5Very high16 Ų1653.1 Ų53.111%0.11230%0.303CS..EExtended strand (participates in β ladder)trans-126.9147.7173.835.80000112.1F716 W717 V876S683-F716 VanDerWaalsContact CA-O 3.26Å; S683-F716 WeakPolarHBondContact CA-O 3.38Å; S683-F716 WeakPolarHBondContact CB-O 3.43Å; S683-W717 VanDerWaalsContact CB-CD1 3.5Å; S683-V876 PolarHBondContact O-N 3.46Å; S683-V876 PolarHBondContact OG-O 3.39Å
684F97.6Very high90.7Very high0 Ų057.6 Ų57.60%033%0.327CS..EExtended strand (participates in β ladder)trans-141.2158.3177.368.7-90.3000110.7L661 M663 L686 L702 F716 F718 V744 V873 E874 L875L661-F684 HydrophobicContact CD2-CE2 4.16Å; M663-F684 HydrophobicContact CE-CB 3.99Å; M663-F684 HydrophobicContact CE-CD1 4.05Å; M663-F684 HydrophobicContact CE-CG 4.03Å; M663-F684 HydrophobicContact SD-CD1 4.29Å; F684-L686 HydrophobicContact CD2-CD2 4.08Å; F684-L686 HydrophobicContact CE2-CD2 3.88Å; F684-L686 HydrophobicContact CE2-CG 4.3Å; F684-L702 HydrophobicContact CE1-CD2 3.77Å; F684-L702 HydrophobicContact CZ-CD1 4.14Å; F684-L702 HydrophobicContact CZ-CD2 4.21Å; F684-F716 HydrophobicContact CD1-CB 4.15Å; F684-F716 HydrophobicContact CD2-CB 4.24Å; F684-F716 HydrophobicContact CD2-CD2 4.33Å; F684-F716 HydrophobicContact CE1-CB 3.62Å; F684-F716 HydrophobicContact CE1-CG 4.45Å; F684-F716 HydrophobicContact CE2-CB 3.72Å; F684-F716 AromaticContact CE2-CD2 3.61Å; F684-F716 HydrophobicContact CE2-CD2 3.61Å; F684-F716 HydrophobicContact CE2-CE2 4.49Å; F684-F716 AromaticContact CE2-CG 3.86Å; F684-F716 HydrophobicContact CE2-CG 3.86Å; F684-F716 HydrophobicContact CG-CB 4.44Å; F684-F716 HydrophobicContact CZ-CB 3.36Å; F684-F716 AromaticContact CZ-CD2 3.98Å; F684-F716 HydrophobicContact CZ-CD2 3.98Å; F684-F716 AromaticContact CZ-CG 3.72Å; F684-F716 HydrophobicContact CZ-CG 3.72Å; F684-F716 PolarHBondContact N-O 2.94Å; F684-F716 PolarHBondContact O-N 3.5Å; F684-F718 HydrophobicContact CD1-CD2 4.24Å; F684-F718 AromaticContact CD1-CE2 3.69Å; F684-F718 HydrophobicContact CD1-CE2 3.69Å; F684-F718 HydrophobicContact CE1-CD2 4.19Å; F684-F718 AromaticContact CE1-CE2 3.57Å; F684-F718 HydrophobicContact CE1-CE2 3.57Å; F684-F718 HydrophobicContact CE1-CZ 4.16Å; F684-V744 HydrophobicContact CE1-CG1 3.7Å; F684-V744 HydrophobicContact CE2-CG1 4.21Å; F684-V744 HydrophobicContact CZ-CG1 3.32Å; F684-V873 HydrophobicContact CB-CG2 4.14Å; F684-V873 HydrophobicContact CD2-CG2 3.83Å; F684-V873 HydrophobicContact CG-CG2 4.28Å; F684-E874 CarbonylContact C-O 3.55Å; F684-E874 WeakPolarHBondContact CA-O 3.47Å; F684-E874 WeakPolarHBondContact CB-O 3.35Å; F684-L875 HydrophobicContact CB-CD2 3.94Å
685R96.9Very high91Very high74 Ų7455.4 Ų55.428%0.27931%0.311SS..EExtended strand (participates in β ladder)trans-120.8138175.4175.9173.8-67.3169-1.9109.7V687 R714 D715 V873 E874 V876R685-V687 HydrophobicContact CG-CG1 3.8Å; R685-R714 CarbonylContact C-O 3.57Å; R685-R714 WeakPolarHBondContact CA-O 3.48Å; R685-D715 IonicContact CZ-OD1 3.6Å; R685-D715 IonicContact CZ-OD2 3.22Å; R685-D715 IonicContact NE-OD1 2.71Å; R685-D715 PolarHBondContact NE-OD1 3.08Å; R685-D715 IonicContact NE-OD2 2.99Å; R685-D715 PolarHBondContact NE-OD2 2.93Å; R685-D715 IonicContact NH2-OD1 3.74Å; R685-D715 PolarHBondContact NH2-OD1 3.21Å; R685-D715 IonicContact NH2-OD2 2.69Å; R685-D715 PolarHBondContact NH2-OD2 3.43Å; R685-V873 WeakPolarHBondContact O-CA 3.16Å; R685-E874 HydrophobicContact CB-CG 3.86Å; R685-E874 WeakPolarHBondContact CD-OE1 3.35Å; R685-E874 HydrophobicContact CG-CG 4.45Å; R685-E874 PolarHBondContact N-O 2.89Å; R685-E874 PolarHBondContact O-N 2.85Å; R685-V876 HydrophobicContact CB-CG2 3.84Å
686L96.9Very high91.6Very high0 Ų057.5 Ų57.50%031%0.309CS..EExtended strand (participates in β ladder)trans-88.5136162.5-51.8-176.1000108.7L661 F684 I689 F695 S713 R714 F716 L745 M871 D872 V873L661-L686 HydrophobicContact CD2-CD2 3.57Å; F684-L686 HydrophobicContact CD2-CD2 4.08Å; F684-L686 HydrophobicContact CE2-CD2 3.88Å; F684-L686 HydrophobicContact CE2-CG 4.3Å; L686-I689 HydrophobicContact CB-CG2 3.58Å; L686-F695 HydrophobicContact CD1-CD1 4.33Å; L686-F695 HydrophobicContact CD1-CE1 3.67Å; L686-F695 HydrophobicContact CD1-CZ 4.3Å; L686-S713 CarbonylContact O-C 3.55Å; L686-S713 VanDerWaalsContact O-CA 3.23Å; L686-S713 WeakPolarHBondContact O-CA 3.43Å; L686-R714 PolarHBondContact N-O 2.8Å; L686-R714 PolarHBondContact O-N 2.83Å; L686-F716 HydrophobicContact CD1-CD2 4.48Å; L686-F716 HydrophobicContact CD1-CE2 3.73Å; L686-F716 HydrophobicContact CD1-CZ 4.48Å; L686-F716 HydrophobicContact CG-CD2 4.25Å; L686-F716 HydrophobicContact CG-CE2 3.93Å; L686-L745 HydrophobicContact CD1-CD1 3.84Å; L686-L745 HydrophobicContact CD1-CD2 3.9Å; L686-M871 HydrophobicContact CD1-SD 4.23Å; L686-M871 HydrophobicContact CD2-SD 4.28Å; L686-D872 WeakPolarHBondContact CA-O 3.4Å; L686-V873 HydrophobicContact CD2-CB 4.23Å; L686-V873 HydrophobicContact CD2-CG2 4.22Å
687V96.6Very high92.4Very high30 Ų3056 Ų5618%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-128.3162.2178.4-61.30000111.1R685 I689 D712 D872 E874R685-V687 HydrophobicContact CG-CG1 3.8Å; V687-I689 PolarHBondContact O-N 2.85Å; V687-D712 CarbonylContact C-O 3.45Å; V687-D872 HydrophobicContact CG2-CB 3.61Å; V687-D872 PolarHBondContact N-O 3.34Å; V687-D872 PolarHBondContact O-N 3.23Å; V687-E874 HydrophobicContact CG1-CG 4.37Å
688N94.3Very high93.6Very high81 Ų8153.5 Ų53.543%0.43328%0.284SS..SBendtrans5931-171.6-51.5-33.7000112.9D712 G870N688-D712 VanDerWaalsContact CA-OD1 3.25Å; N688-D712 WeakPolarHBondContact CA-OD1 3.34Å; N688-D712 PolarHBondContact N-O 2.95Å; N688-D712 VanDerWaalsContact N-O 3.08Å; N688-G870 VanDerWaalsContact CB-O 3.3Å; N688-G870 WeakPolarHBondContact CB-O 3.36Å; N688-G870 PolarHBondContact ND2-O 3.13Å
689I95.4Very high94.3Very high10 Ų1055.1 Ų55.15%0.05129%0.287CS..  trans-85.9-2-171.860160.1000115.2L686 V687 R691 I692 F695 D712 R714 M871L686-I689 HydrophobicContact CB-CG2 3.58Å; V687-I689 PolarHBondContact O-N 2.85Å; I689-R691 PolarHBondContact O-N 3.05Å; I689-I692 HydrophobicContact CB-CD1 4.28Å; I689-I692 HydrophobicContact CG2-CD1 4.08Å; I689-I692 PolarHBondContact O-N 2.91Å; I689-F695 HydrophobicContact CB-CZ 3.92Å; I689-F695 HydrophobicContact CD1-CE2 4.07Å; I689-F695 HydrophobicContact CD1-CZ 4Å; I689-F695 HydrophobicContact CG2-CZ 3.93Å; I689-D712 WeakPolarHBondContact CG1-O 3.44Å; I689-D712 PolarHBondContact N-O 2.9Å; I689-D712 PolarHBondContact N-OD1 2.9Å; I689-D712 VanDerWaalsContact N-OD1 3.11Å; I689-R714 HydrophobicContact CD1-CB 3.59Å; I689-M871 HydrophobicContact CG2-CG 4.07Å
690S92.7Very high94.6Very high79 Ų7962.7 Ų62.755%0.55232%0.318SS*.THydrogen-bonded Turntrans-57.9-2.8179.353.60000116.1P711 D712S690-P711 WeakPolarHBondContact CA-O 2.95Å; S690-P711 PolarHBondContact N-O 2.71Å; S690-D712 WeakPolarHBondContact CB-OD1 3.44Å; S690-D712 PolarHBondContact N-OD1 3.19Å; S690-D712 PolarHBondContact OG-OD1 2.77Å
691R90.4Very high94.9Very high124 Ų12461.5 Ų61.547%0.46831%0.31SS..THydrogen-bonded Turntrans-106.2-2.2178.3-61.1171.4166.2-155.7-0.4113.7I689 V749 S869I689-R691 PolarHBondContact O-N 3.05Å; R691-V749 VanDerWaalsContact O-CG1 3.25Å; R691-V749 WeakPolarHBondContact O-CG1 3.42Å; R691-V749 WeakPolarHBondContact O-CG2 3.47Å; R691-S869 WeakPolarHBondContact CD-O 3.43Å; R691-S869 PolarHBondContact NH1-O 3.41Å
692I94.3Very high95Very high21 Ų2158.3 Ų58.311%0.10829%0.29CS..  trans-101.4121.5-174.4-64174.1000110.1I689 N694 F695 Y747 Q748 V749 M871I689-I692 HydrophobicContact CB-CD1 4.28Å; I689-I692 HydrophobicContact CG2-CD1 4.08Å; I689-I692 PolarHBondContact O-N 2.91Å; I692-N694 WeakPolarHBondContact CG2-O 3.38Å; I692-F695 HydrophobicContact CB-CE1 4.45Å; I692-F695 HydrophobicContact CB-CE2 4.08Å; I692-F695 HydrophobicContact CB-CZ 3.84Å; I692-F695 HydrophobicContact CD1-CE1 3.85Å; I692-F695 HydrophobicContact CD1-CZ 3.7Å; I692-F695 HydrophobicContact CG1-CZ 4.36Å; I692-F695 HydrophobicContact CG2-CD1 4.2Å; I692-F695 HydrophobicContact CG2-CD2 4.13Å; I692-F695 HydrophobicContact CG2-CE1 3.81Å; I692-F695 HydrophobicContact CG2-CE2 3.71Å; I692-F695 HydrophobicContact CG2-CG 4.37Å; I692-F695 HydrophobicContact CG2-CZ 3.56Å; I692-Y747 HydrophobicContact CD1-CD2 3.59Å; I692-Y747 HydrophobicContact CD1-CE2 3.99Å; I692-Y747 HydrophobicContact CD1-CG 4.13Å; I692-Y747 HydrophobicContact CG1-CD2 4.01Å; I692-Y747 HydrophobicContact CG2-CD2 4.33Å; I692-Q748 WeakPolarHBondContact CG2-O 3.44Å; I692-V749 HydrophobicContact CG1-CG2 3.95Å; I692-M871 HydrophobicContact CD1-CB 4.25Å; I692-M871 HydrophobicContact CD1-CG 4.27Å; I692-M871 HydrophobicContact CD1-SD 3.97Å
693D91.4Very high95Very high73 Ų7365 Ų6539%0.3932%0.316SS..  trans-79.8-33.4179.210.5-71.6000113.1Q748 S750D693-Q748 PolarHBondContact N-O 2.83Å; D693-S750 PolarHBondContact OD1-N 3.29Å; D693-S750 VanDerWaalsContact OD2-CB 3.26Å; D693-S750 WeakPolarHBondContact OD2-CB 3.27Å; D693-S750 PolarHBondContact OD2-N 3.06Å; D693-S750 VanDerWaalsContact OD2-N 3.09Å; D693-S750 PolarHBondContact OD2-OG 3.01Å
694N92.6Very high94.8Very high95 Ų9566.1 Ų66.151%0.50832%0.324SS..EExtended strand (participates in β ladder)trans-140.7141-172.9-73.1-83.2000113.5I692 Y747 Q748I692-N694 WeakPolarHBondContact CG2-O 3.38Å; N694-Y747 VanDerWaalsContact O-CA 3.23Å; N694-Y747 WeakPolarHBondContact O-CA 3.37Å; N694-Y747 WeakPolarHBondContact O-CB 3.38Å; N694-Q748 HydrophobicContact CB-CB 4.44Å; N694-Q748 PolarHBondContact N-O 3.25Å; N694-Q748 PolarHBondContact O-N 2.89Å
695F93.7Very high94.4Very high41 Ų4169 Ų6918%0.1834%0.34CS..EExtended strand (participates in β ladder)trans-125.3135.5176.5-73.9-72.4000111.9L686 I689 I692 L745L686-F695 HydrophobicContact CD1-CD1 4.33Å; L686-F695 HydrophobicContact CD1-CE1 3.67Å; L686-F695 HydrophobicContact CD1-CZ 4.3Å; I689-F695 HydrophobicContact CB-CZ 3.92Å; I689-F695 HydrophobicContact CD1-CE2 4.07Å; I689-F695 HydrophobicContact CD1-CZ 4Å; I689-F695 HydrophobicContact CG2-CZ 3.93Å; I692-F695 HydrophobicContact CB-CE1 4.45Å; I692-F695 HydrophobicContact CB-CE2 4.08Å; I692-F695 HydrophobicContact CB-CZ 3.84Å; I692-F695 HydrophobicContact CD1-CE1 3.85Å; I692-F695 HydrophobicContact CD1-CZ 3.7Å; I692-F695 HydrophobicContact CG1-CZ 4.36Å; I692-F695 HydrophobicContact CG2-CD1 4.2Å; I692-F695 HydrophobicContact CG2-CD2 4.13Å; I692-F695 HydrophobicContact CG2-CE1 3.81Å; I692-F695 HydrophobicContact CG2-CE2 3.71Å; I692-F695 HydrophobicContact CG2-CG 4.37Å; I692-F695 HydrophobicContact CG2-CZ 3.56Å; F695-L745 HydrophobicContact CD1-CD1 3.79Å; F695-L745 HydrophobicContact CD1-CD2 3.96Å; F695-L745 HydrophobicContact CD1-CG 4.2Å; F695-L745 HydrophobicContact CE1-CD1 4.44Å; F695-L745 HydrophobicContact CE1-CD2 4.21Å
696L95.6Very high94Very high130 Ų13071.4 Ų71.468%0.68137%0.365SS*.EExtended strand (participates in β ladder)trans-125.880.4174.2-65.8174.7000108.9K746L696-K746 HydrophobicContact CB-CB 4.27Å; L696-K746 PolarHBondContact N-O 3.27Å; L696-K746 PolarHBondContact O-N 2.92Å
697P95.9Very high93.5Very high33 Ų3375.9 Ų75.921%0.21440%0.396CS..EExtended strand (participates in β ladder)trans-68151.2173.928.5-34.1000111.6Q699 L702 F716 L745P697-Q699 VanDerWaalsContact C-N 3.33Å; P697-Q699 PolarHBondContact O-N 2.73Å; P697-L702 HydrophobicContact CB-CD1 4.03Å; P697-F716 HydrophobicContact CB-CD1 4.48Å; P697-F716 HydrophobicContact CB-CE1 3.82Å; P697-F716 HydrophobicContact CG-CE1 4.31Å; P697-L745 HydrophobicContact CB-CD1 4.18Å
698N95.7Very high93.1Very high50 Ų5076.8 Ų76.827%0.26740%0.399SS..  trans-73.485.2171.9-172.7-12.5000110.8K700 L701 L702 G743 V744N698-K700 PolarHBondContact O-N 3.28Å; N698-K700 PolarHBondContact OD1-N 2.91Å; N698-L701 WeakPolarHBondContact ND2-CD1 3.06Å; N698-L701 PolarHBondContact O-N 2.68Å; N698-L702 PolarHBondContact O-N 3.1Å; N698-G743 PolarHBondContact ND2-O 3.01Å; N698-V744 VanDerWaalsContact CB-O 3.22Å; N698-V744 WeakPolarHBondContact CB-O 3.49Å; N698-V744 PolarHBondContact N-O 3.38Å
699Q93.9Very high92.7Very high170 Ų17078.4 Ų78.479%0.79442%0.416SS*.THydrogen-bonded Turntrans-57-13.8-177.8-65.1178-7.300114.9P697P697-Q699 VanDerWaalsContact C-N 3.33Å; P697-Q699 PolarHBondContact O-N 2.73Å
700K94.1Very high92.5Very high177 Ų17781.6 Ų81.677%0.7743%0.433SS*.THydrogen-bonded Turntrans-80.2-24.9173.7-62.2-176.4179.3-178.40112.9N698 A722N698-K700 PolarHBondContact O-N 3.28Å; N698-K700 PolarHBondContact OD1-N 2.91Å; K700-A722 VanDerWaalsContact O-CB 3.31Å; K700-A722 WeakPolarHBondContact O-CB 3.38Å
701L96Very high92.3Very high8 Ų882.7 Ų82.74%0.04244%0.439CS..THydrogen-bonded Turntrans-116.4-15.8-174.8-59.3-175.3000113.2N698 F718 N719 A722 Y726 V742N698-L701 WeakPolarHBondContact ND2-CD1 3.06Å; N698-L701 PolarHBondContact O-N 2.68Å; L701-F718 HydrophobicContact CB-CD1 4.38Å; L701-F718 CarbonylContact O-C 3.58Å; L701-F718 WeakPolarHBondContact O-CA 3.25Å; L701-N719 PolarHBondContact O-N 3.13Å; L701-A722 HydrophobicContact CD2-CB 3.89Å; L701-Y726 HydrophobicContact CD1-CD2 4.44Å; L701-Y726 HydrophobicContact CD1-CG 4.38Å; L701-V742 HydrophobicContact CD1-CG1 3.4Å; L701-V742 VanDerWaalsContact CD1-CG1 3.4Å
702L97.2Very high92.4Very high12 Ų1279.5 Ų79.56%0.06343%0.431CS..EExtended strand (participates in β ladder)trans-124.5139.2-172.1-59.8-179.8000113.6F684 P697 N698 F716 W717 F718 V744F684-L702 HydrophobicContact CE1-CD2 3.77Å; F684-L702 HydrophobicContact CZ-CD1 4.14Å; F684-L702 HydrophobicContact CZ-CD2 4.21Å; P697-L702 HydrophobicContact CB-CD1 4.03Å; N698-L702 PolarHBondContact O-N 3.1Å; L702-F716 HydrophobicContact CD1-CD1 4.15Å; L702-W717 WeakPolarHBondContact CA-O 3.27Å; L702-F718 HydrophobicContact CD2-CD1 3.77Å; L702-F718 HydrophobicContact CD2-CD2 4.06Å; L702-F718 HydrophobicContact CD2-CE1 3.74Å; L702-F718 HydrophobicContact CD2-CE2 4.04Å; L702-F718 HydrophobicContact CD2-CG 3.95Å; L702-F718 HydrophobicContact CD2-CZ 3.89Å; L702-V744 HydrophobicContact CD1-CG1 3.72Å; L702-V744 VanDerWaalsContact CD1-O 3.24Å; L702-V744 WeakPolarHBondContact CD1-O 3.4Å; L702-V744 HydrophobicContact CD2-CG1 4.28Å
703Y95.6Very high92.4Very high140 Ų14079.2 Ų79.255%0.54943%0.431SS..EExtended strand (participates in β ladder)trans-99.5151.3156.8-56.1-66.3000110.1F716 W717 N719Y703-F716 WeakPolarHBondContact O-CA 3.28Å; Y703-W717 PolarHBondContact N-O 2.99Å; Y703-W717 PolarHBondContact O-N 3.42Å; Y703-N719 HydrophobicContact CD2-CB 4.36Å; Y703-N719 HydrophobicContact CE2-CB 3.65Å; Y703-N719 PolarHBondContact OH-ND2 2.84Å; Y703-N719 VanDerWaalsContact OH-ND2 3.1Å
704S93.3Very high92.6Very high40 Ų4079.2 Ų79.228%0.2843%0.425SS..EExtended strand (participates in β ladder)trans-145.7144.7173.465.80000109.1P706S704-P706 VanDerWaalsContact O-CD 3.29Å; S704-P706 WeakPolarHBondContact O-CD 3.49Å
705D90.6Very high92.8Very high62 Ų6275.4 Ų75.433%0.33241%0.405SS..  trans-75.7119.3177.8-172.1-13.2000110.3S707 Q708 W717D705-S707 VanDerWaalsContact C-N 3.27Å; D705-S707 VanDerWaalsContact CG-OG 3.27Å; D705-S707 WeakPolarHBondContact OD1-CA 3.38Å; D705-S707 WeakPolarHBondContact OD1-CB 3.44Å; D705-S707 PolarHBondContact OD1-N 2.9Å; D705-S707 PolarHBondContact OD1-OG 3.09Å; D705-S707 PolarHBondContact OD2-OG 2.95Å; D705-Q708 HydrophobicContact CB-CB 4.19Å; D705-W717 HydrophobicContact CB-CH2 4.26Å; D705-W717 HydrophobicContact CB-CZ3 4.12Å
706P87.2Confident92.9Very high124 Ų12473.5 Ų73.581%0.80540%0.397SS*.THydrogen-bonded Turntrans-75.2-14.4175.2-14.231.3000113.7S704S704-P706 VanDerWaalsContact O-CD 3.29Å; S704-P706 WeakPolarHBondContact O-CD 3.49Å
707S87.4Confident93Very high94 Ų9471.5 Ų71.566%0.65738%0.38SS*.THydrogen-bonded Turntrans-89.3-9.6178.375.70000113.5D705 S709D705-S707 VanDerWaalsContact C-N 3.27Å; D705-S707 VanDerWaalsContact CG-OG 3.27Å; D705-S707 WeakPolarHBondContact OD1-CA 3.38Å; D705-S707 WeakPolarHBondContact OD1-CB 3.44Å; D705-S707 PolarHBondContact OD1-N 2.9Å; D705-S707 PolarHBondContact OD1-OG 3.09Å; D705-S707 PolarHBondContact OD2-OG 2.95Å; S707-S709 PolarHBondContact O-N 2.58Å
708Q87.1Confident93.1Very high48 Ų4870.1 Ų70.122%0.22437%0.371CS..  trans-67.2112.1174.3-177166.126.400110.7D705 D710 D715D705-Q708 HydrophobicContact CB-CB 4.19Å; Q708-D710 HydrophobicContact CG-CB 4.4Å; Q708-D715 PolarHBondContact NE2-OD2 2.93Å
709S86.6Confident93Very high115 Ų11569.3 Ų69.380%0.80437%0.366SS*.  trans-111.121-177.572.50000113.6S707S707-S709 PolarHBondContact O-N 2.58Å
710D90.8Very high93Very high77 Ų7761.7 Ų61.741%0.41233%0.331SS..  trans-74121.9172.7-179.6-12.7000108.8Q708 D712 S713Q708-D710 HydrophobicContact CG-CB 4.4Å; D710-D712 VanDerWaalsContact C-N 3.31Å; D710-D712 PolarHBondContact O-N 3.08Å; D710-D712 PolarHBondContact OD1-N 2.82Å; D710-S713 WeakPolarHBondContact CB-O 3.23Å; D710-S713 PolarHBondContact OD1-N 2.89Å; D710-S713 VanDerWaalsContact OD1-N 3.14Å; D710-S713 WeakPolarHBondContact OD2-CB 3.39Å; D710-S713 PolarHBondContact OD2-OG 3.29Å
711P88.4Confident93Very high102 Ų10258.9 Ų58.966%0.66232%0.32SS*.SBendtrans-76.8-13.9-178.232.4-36.7000113.8S690S690-P711 WeakPolarHBondContact CA-O 2.95Å; S690-P711 PolarHBondContact N-O 2.71Å
712D93.1Very high92.9Very high58 Ų5859.6 Ų59.631%0.3133%0.328SS..SBendtrans-122.1-4.3-174.6-156.950.6000114.4V687 N688 I689 S690 D710V687-D712 CarbonylContact C-O 3.45Å; N688-D712 VanDerWaalsContact CA-OD1 3.25Å; N688-D712 WeakPolarHBondContact CA-OD1 3.34Å; N688-D712 PolarHBondContact N-O 2.95Å; N688-D712 VanDerWaalsContact N-O 3.08Å; I689-D712 WeakPolarHBondContact CG1-O 3.44Å; I689-D712 PolarHBondContact N-O 2.9Å; I689-D712 PolarHBondContact N-OD1 2.9Å; I689-D712 VanDerWaalsContact N-OD1 3.11Å; S690-D712 WeakPolarHBondContact CB-OD1 3.44Å; S690-D712 PolarHBondContact N-OD1 3.19Å; S690-D712 PolarHBondContact OG-OD1 2.77Å; D710-D712 VanDerWaalsContact C-N 3.31Å; D710-D712 PolarHBondContact O-N 3.08Å; D710-D712 PolarHBondContact OD1-N 2.82Å
713S94.6Very high92.8Very high15 Ų1559 Ų5911%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-138.8148.4167.991.50000114.9L686 D710L686-S713 CarbonylContact O-C 3.55Å; L686-S713 VanDerWaalsContact O-CA 3.23Å; L686-S713 WeakPolarHBondContact O-CA 3.43Å; D710-S713 WeakPolarHBondContact CB-O 3.23Å; D710-S713 PolarHBondContact OD1-N 2.89Å; D710-S713 VanDerWaalsContact OD1-N 3.14Å; D710-S713 WeakPolarHBondContact OD2-CB 3.39Å; D710-S713 PolarHBondContact OD2-OG 3.29Å
714R95.1Very high92.7Very high72 Ų7254.5 Ų54.527%0.27231%0.309SS..EExtended strand (participates in β ladder)trans-145130.1176.2-167.2171.5-171.9169.65.2113R685 L686 I689 F716R685-R714 CarbonylContact C-O 3.57Å; R685-R714 WeakPolarHBondContact CA-O 3.48Å; L686-R714 PolarHBondContact N-O 2.8Å; L686-R714 PolarHBondContact O-N 2.83Å; I689-R714 HydrophobicContact CD1-CB 3.59Å; R714-F716 HydrophobicContact CB-CE2 4.13Å; R714-F716 HydrophobicContact CG-CE2 3.81Å; R714-F716 HydrophobicContact CG-CZ 4.07Å
715D95.9Very high92.7Very high16 Ų1658.3 Ų58.39%0.08633%0.325CS..EExtended strand (participates in β ladder)trans-94.5143.2-177.5-67.8-76.2000112.5R685 Q708 W717R685-D715 IonicContact CZ-OD1 3.6Å; R685-D715 IonicContact CZ-OD2 3.22Å; R685-D715 IonicContact NE-OD1 2.71Å; R685-D715 PolarHBondContact NE-OD1 3.08Å; R685-D715 IonicContact NE-OD2 2.99Å; R685-D715 PolarHBondContact NE-OD2 2.93Å; R685-D715 IonicContact NH2-OD1 3.74Å; R685-D715 PolarHBondContact NH2-OD1 3.21Å; R685-D715 IonicContact NH2-OD2 2.69Å; R685-D715 PolarHBondContact NH2-OD2 3.43Å; Q708-D715 PolarHBondContact NE2-OD2 2.93Å; D715-W717 HydrophobicContact CB-CH2 3.48Å; D715-W717 VanDerWaalsContact CB-CH2 3.48Å; D715-W717 HydrophobicContact CB-CZ2 3.92Å; D715-W717 HydrophobicContact CB-CZ3 3.95Å
716F97.3Very high92.9Very high1 Ų159.1 Ų59.10%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-138.3146.1178.2-66.8-90.1000110.9S683 F684 L686 P697 L702 Y703 R714 L745S683-F716 VanDerWaalsContact CA-O 3.26Å; S683-F716 WeakPolarHBondContact CA-O 3.38Å; S683-F716 WeakPolarHBondContact CB-O 3.43Å; F684-F716 HydrophobicContact CD1-CB 4.15Å; F684-F716 HydrophobicContact CD2-CB 4.24Å; F684-F716 HydrophobicContact CD2-CD2 4.33Å; F684-F716 HydrophobicContact CE1-CB 3.62Å; F684-F716 HydrophobicContact CE1-CG 4.45Å; F684-F716 HydrophobicContact CE2-CB 3.72Å; F684-F716 AromaticContact CE2-CD2 3.61Å; F684-F716 HydrophobicContact CE2-CD2 3.61Å; F684-F716 HydrophobicContact CE2-CE2 4.49Å; F684-F716 AromaticContact CE2-CG 3.86Å; F684-F716 HydrophobicContact CE2-CG 3.86Å; F684-F716 HydrophobicContact CG-CB 4.44Å; F684-F716 HydrophobicContact CZ-CB 3.36Å; F684-F716 AromaticContact CZ-CD2 3.98Å; F684-F716 HydrophobicContact CZ-CD2 3.98Å; F684-F716 AromaticContact CZ-CG 3.72Å; F684-F716 HydrophobicContact CZ-CG 3.72Å; F684-F716 PolarHBondContact N-O 2.94Å; F684-F716 PolarHBondContact O-N 3.5Å; L686-F716 HydrophobicContact CD1-CD2 4.48Å; L686-F716 HydrophobicContact CD1-CE2 3.73Å; L686-F716 HydrophobicContact CD1-CZ 4.48Å; L686-F716 HydrophobicContact CG-CD2 4.25Å; L686-F716 HydrophobicContact CG-CE2 3.93Å; P697-F716 HydrophobicContact CB-CD1 4.48Å; P697-F716 HydrophobicContact CB-CE1 3.82Å; P697-F716 HydrophobicContact CG-CE1 4.31Å; L702-F716 HydrophobicContact CD1-CD1 4.15Å; Y703-F716 WeakPolarHBondContact O-CA 3.28Å; R714-F716 HydrophobicContact CB-CE2 4.13Å; R714-F716 HydrophobicContact CG-CE2 3.81Å; R714-F716 HydrophobicContact CG-CZ 4.07Å; F716-L745 HydrophobicContact CE1-CD1 4.12Å; F716-L745 HydrophobicContact CE2-CD1 4.05Å; F716-L745 HydrophobicContact CZ-CD1 3.59Å
717W97.2Very high93.3Very high88 Ų8853.3 Ų53.333%0.33329%0.286SS..EExtended strand (participates in β ladder)trans-127.9135.1179.2-59.9-99.1000109.6V681 S683 L702 Y703 D705 D715V681-W717 HydrophobicContact CG1-CB 4.02Å; V681-W717 HydrophobicContact CG1-CG 4.49Å; S683-W717 VanDerWaalsContact CB-CD1 3.5Å; L702-W717 WeakPolarHBondContact CA-O 3.27Å; Y703-W717 PolarHBondContact N-O 2.99Å; Y703-W717 PolarHBondContact O-N 3.42Å; D705-W717 HydrophobicContact CB-CH2 4.26Å; D705-W717 HydrophobicContact CB-CZ3 4.12Å; D715-W717 HydrophobicContact CB-CH2 3.48Å; D715-W717 VanDerWaalsContact CB-CH2 3.48Å; D715-W717 HydrophobicContact CB-CZ2 3.92Å; D715-W717 HydrophobicContact CB-CZ3 3.95Å
718F97.2Very high93.5Very high3 Ų352.3 Ų52.31%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-75.4137.3174.9-81.3-92.1000111.8M663 F665 L682 F684 L701 L702 M720 L723 V742 V744M663-F718 HydrophobicContact SD-CE2 3.64Å; M663-F718 HydrophobicContact SD-CZ 3.75Å; F665-F718 HydrophobicContact CZ-CZ 4.28Å; L682-F718 HydrophobicContact CB-CB 4.4Å; L682-F718 HydrophobicContact CB-CD2 4.03Å; L682-F718 HydrophobicContact CD2-CD2 3.65Å; L682-F718 HydrophobicContact CD2-CE2 3.7Å; L682-F718 HydrophobicContact CD2-CG 4.4Å; L682-F718 HydrophobicContact CG-CD2 3.64Å; L682-F718 HydrophobicContact CG-CE2 4.02Å; L682-F718 PolarHBondContact O-N 3.45Å; F684-F718 HydrophobicContact CD1-CD2 4.24Å; F684-F718 AromaticContact CD1-CE2 3.69Å; F684-F718 HydrophobicContact CD1-CE2 3.69Å; F684-F718 HydrophobicContact CE1-CD2 4.19Å; F684-F718 AromaticContact CE1-CE2 3.57Å; F684-F718 HydrophobicContact CE1-CE2 3.57Å; F684-F718 HydrophobicContact CE1-CZ 4.16Å; L701-F718 HydrophobicContact CB-CD1 4.38Å; L701-F718 CarbonylContact O-C 3.58Å; L701-F718 WeakPolarHBondContact O-CA 3.25Å; L702-F718 HydrophobicContact CD2-CD1 3.77Å; L702-F718 HydrophobicContact CD2-CD2 4.06Å; L702-F718 HydrophobicContact CD2-CE1 3.74Å; L702-F718 HydrophobicContact CD2-CE2 4.04Å; L702-F718 HydrophobicContact CD2-CG 3.95Å; L702-F718 HydrophobicContact CD2-CZ 3.89Å; F718-M720 HydrophobicContact CB-SD 3.83Å; F718-M720 PolarHBondContact O-N 2.91Å; F718-M720 VanDerWaalsContact O-N 3.12Å; F718-L723 HydrophobicContact CB-CD2 4.14Å; F718-L723 HydrophobicContact CD1-CB 4.31Å; F718-L723 HydrophobicContact CD1-CD1 4.05Å; F718-L723 HydrophobicContact CD1-CD2 3.83Å; F718-L723 HydrophobicContact CD1-CG 4.28Å; F718-L723 HydrophobicContact CE1-CD1 4.09Å; F718-L723 HydrophobicContact CE1-CD2 4.42Å; F718-L723 HydrophobicContact CG-CD2 4.02Å; F718-V742 HydrophobicContact CE1-CG1 4.49Å; F718-V744 HydrophobicContact CZ-CG1 4.31Å; F718-V744 HydrophobicContact CZ-CG2 4.02Å
719N95.3Very high93.9Very high33 Ų3356 Ų5618%0.17629%0.287CS..  trans-69.3100.2156.9178.4-31.7000107.3L701 Y703 Q721 A722 L723L701-N719 PolarHBondContact O-N 3.13Å; Y703-N719 HydrophobicContact CD2-CB 4.36Å; Y703-N719 HydrophobicContact CE2-CB 3.65Å; Y703-N719 PolarHBondContact OH-ND2 2.84Å; Y703-N719 VanDerWaalsContact OH-ND2 3.1Å; N719-Q721 VanDerWaalsContact C-N 3.28Å; N719-Q721 PolarHBondContact O-N 2.97Å; N719-Q721 PolarHBondContact OD1-N 3.35Å; N719-Q721 PolarHBondContact OD1-OE1 2.86Å; N719-A722 HydrophobicContact CB-CB 4.01Å; N719-A722 PolarHBondContact O-N 3.15Å; N719-A722 WeakPolarHBondContact OD1-CB 3.36Å; N719-A722 PolarHBondContact OD1-N 3.05Å; N719-L723 WeakPolarHBondContact O-CB 3.45Å; N719-L723 PolarHBondContact O-N 3.16Å
720M94Very high94.2Very high10 Ų1053.2 Ų53.25%0.04926%0.261CS..Hα-helixtrans-64.1-33.7-172.2-62.6-52.9-65.400112.4F673 V679 V681 L682 F718 L723 Q724 Y880F673-M720 HydrophobicContact CE1-CE 4.3Å; F673-M720 HydrophobicContact CE2-CE 4.14Å; F673-M720 HydrophobicContact CZ-CE 3.87Å; V679-M720 HydrophobicContact CB-CE 4.28Å; V679-M720 HydrophobicContact CG1-CE 3.68Å; V681-M720 HydrophobicContact CG2-CG 4.38Å; L682-M720 HydrophobicContact CB-CE 4.38Å; L682-M720 HydrophobicContact CB-SD 3.99Å; L682-M720 PolarHBondContact N-SD 3.47Å; L682-M720 VanDerWaalsContact N-SD 3.37Å; F718-M720 HydrophobicContact CB-SD 3.83Å; F718-M720 PolarHBondContact O-N 2.91Å; F718-M720 VanDerWaalsContact O-N 3.12Å; M720-L723 HydrophobicContact CE-CD2 4.2Å; M720-L723 HydrophobicContact SD-CD2 4.28Å; M720-Q724 VanDerWaalsContact O-CB 3.23Å; M720-Q724 WeakPolarHBondContact O-CB 3.42Å; M720-Q724 PolarHBondContact O-N 3.25Å; M720-Y880 VanDerWaalsContact CE-OH 3.22Å; M720-Y880 WeakPolarHBondContact CE-OH 3.32Å
721Q92.2Very high94.3Very high118 Ų11850.5 Ų50.555%0.55125%0.249SC*.Hα-helixtrans-68.3-45.5177.5-64.175.91200111.1N719 Q724 L725N719-Q721 VanDerWaalsContact C-N 3.28Å; N719-Q721 PolarHBondContact O-N 2.97Å; N719-Q721 PolarHBondContact OD1-N 3.35Å; N719-Q721 PolarHBondContact OD1-OE1 2.86Å; Q721-Q724 PolarHBondContact O-N 3.13Å; Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 2.92Å
722A94.6Very high94.6Very high24 Ų2451.6 Ų51.620%0.19825%0.246CC..Hα-helixtrans-67.9-37.6176.200000112.1K700 L701 N719 Y726K700-A722 VanDerWaalsContact O-CB 3.31Å; K700-A722 WeakPolarHBondContact O-CB 3.38Å; L701-A722 HydrophobicContact CD2-CB 3.89Å; N719-A722 HydrophobicContact CB-CB 4.01Å; N719-A722 PolarHBondContact O-N 3.15Å; N719-A722 WeakPolarHBondContact OD1-CB 3.36Å; N719-A722 PolarHBondContact OD1-N 3.05Å; A722-Y726 WeakPolarHBondContact O-CB 3.48Å; A722-Y726 PolarHBondContact O-N 3.33Å
723L95.1Very high94.6Very high0 Ų054.6 Ų54.60%026%0.261CS..Hα-helixtrans-63.8-43.7173.6178.364.1000111.6F665 F673 F718 N719 M720 Y726 L727 V742F665-L723 HydrophobicContact CE1-CD1 4.47Å; F665-L723 HydrophobicContact CE1-CD2 3.94Å; F665-L723 HydrophobicContact CE2-CD1 4.14Å; F665-L723 HydrophobicContact CZ-CD1 3.98Å; F665-L723 HydrophobicContact CZ-CD2 3.98Å; F673-L723 HydrophobicContact CE2-CD2 4.13Å; F673-L723 HydrophobicContact CE2-CG 4.45Å; F718-L723 HydrophobicContact CB-CD2 4.14Å; F718-L723 HydrophobicContact CD1-CB 4.31Å; F718-L723 HydrophobicContact CD1-CD1 4.05Å; F718-L723 HydrophobicContact CD1-CD2 3.83Å; F718-L723 HydrophobicContact CD1-CG 4.28Å; F718-L723 HydrophobicContact CE1-CD1 4.09Å; F718-L723 HydrophobicContact CE1-CD2 4.42Å; F718-L723 HydrophobicContact CG-CD2 4.02Å; N719-L723 WeakPolarHBondContact O-CB 3.45Å; N719-L723 PolarHBondContact O-N 3.16Å; M720-L723 HydrophobicContact CE-CD2 4.2Å; M720-L723 HydrophobicContact SD-CD2 4.28Å; L723-Y726 PolarHBondContact O-N 2.88Å; L723-L727 HydrophobicContact CD1-CD1 3.89Å; L723-L727 HydrophobicContact CD1-CG 4.03Å; L723-L727 HydrophobicContact CG-CD1 3.88Å; L723-L727 HydrophobicContact CG-CG 4.39Å; L723-L727 WeakPolarHBondContact O-CB 3.43Å; L723-L727 VanDerWaalsContact O-CG 3.29Å; L723-L727 WeakPolarHBondContact O-CG 3.1Å; L723-L727 PolarHBondContact O-N 2.88Å; L723-V742 HydrophobicContact CD1-CG2 4.12Å
724Q93.8Very high94.5Very high45 Ų4557.9 Ų57.921%0.2128%0.277CS..Hα-helixtrans-61.2-49176.8177.3178.5-0.900111.5F673 T674 M720 Q721 Y726 L727 Q728F673-Q724 HydrophobicContact CB-CB 4.33Å; F673-Q724 HydrophobicContact CB-CG 3.94Å; F673-Q724 HydrophobicContact CD2-CB 4.4Å; F673-Q724 PolarHBondContact O-NE2 3.2Å; F673-Q724 VanDerWaalsContact O-NE2 3.11Å; T674-Q724 PolarHBondContact OG1-NE2 3.3Å; M720-Q724 VanDerWaalsContact O-CB 3.23Å; M720-Q724 WeakPolarHBondContact O-CB 3.42Å; M720-Q724 PolarHBondContact O-N 3.25Å; Q721-Q724 PolarHBondContact O-N 3.13Å; Q724-Y726 VanDerWaalsContact C-N 3.3Å; Q724-Y726 PolarHBondContact O-N 3.07Å; Q724-L727 PolarHBondContact O-N 3.39Å; Q724-Q728 WeakPolarHBondContact O-CB 3.3Å; Q724-Q728 PolarHBondContact O-N 3.43Å
725L93.3Very high94.3Very high119 Ų11958.6 Ų58.662%0.62329%0.291SS*.Hα-helixtrans-62-37.4176.8-69.6171.8000112.2Q721 K729Q721-L725 WeakPolarHBondContact O-CG 3.38Å; Q721-L725 PolarHBondContact O-N 2.92Å; L725-K729 WeakPolarHBondContact O-CB 3.4Å; L725-K729 PolarHBondContact O-N 2.92Å
726Y95Very high94Very high80 Ų8066.1 Ų66.131%0.31433%0.326SS..Hα-helixtrans-64.1-51.7174.2-175-86.3000111.6L701 A722 L723 Q724 Q728 K729 E730 V742L701-Y726 HydrophobicContact CD1-CD2 4.44Å; L701-Y726 HydrophobicContact CD1-CG 4.38Å; A722-Y726 WeakPolarHBondContact O-CB 3.48Å; A722-Y726 PolarHBondContact O-N 3.33Å; L723-Y726 PolarHBondContact O-N 2.88Å; Q724-Y726 VanDerWaalsContact C-N 3.3Å; Q724-Y726 PolarHBondContact O-N 3.07Å; Y726-Q728 VanDerWaalsContact C-N 3.34Å; Y726-Q728 PolarHBondContact O-N 2.98Å; Y726-K729 PolarHBondContact O-N 3.11Å; Y726-E730 HydrophobicContact CD1-CG 4.02Å; Y726-E730 HydrophobicContact CE1-CG 3.64Å; Y726-E730 WeakPolarHBondContact O-CG 3.4Å; Y726-E730 PolarHBondContact O-N 3.35Å; Y726-V742 HydrophobicContact CD1-CG2 3.92Å; Y726-V742 HydrophobicContact CE1-CB 4.37Å; Y726-V742 HydrophobicContact CE1-CG1 4.43Å; Y726-V742 HydrophobicContact CE1-CG2 3.78Å
727L94.7Very high93.7Very high1 Ų167.1 Ų67.11%0.00534%0.335CS..Hα-helixtrans-66.5-33.5-178.9-68.5173.5000112.7F665 I669 T670 F673 L723 Q724 A731 Y740 V742F665-L727 HydrophobicContact CB-CD1 4.15Å; F665-L727 HydrophobicContact CB-CD2 3.85Å; F665-L727 HydrophobicContact CD1-CD1 4.01Å; F665-L727 HydrophobicContact CD2-CD1 4.49Å; F665-L727 HydrophobicContact CD2-CD2 4.04Å; F665-L727 HydrophobicContact CG-CD1 3.96Å; F665-L727 HydrophobicContact CG-CD2 4.01Å; I669-L727 HydrophobicContact CG2-CD1 4.32Å; T670-L727 HydrophobicContact CG2-CB 4.13Å; F673-L727 HydrophobicContact CD2-CD1 4.25Å; F673-L727 HydrophobicContact CE2-CD1 3.89Å; L723-L727 HydrophobicContact CD1-CD1 3.89Å; L723-L727 HydrophobicContact CD1-CG 4.03Å; L723-L727 HydrophobicContact CG-CD1 3.88Å; L723-L727 HydrophobicContact CG-CG 4.39Å; L723-L727 WeakPolarHBondContact O-CB 3.43Å; L723-L727 VanDerWaalsContact O-CG 3.29Å; L723-L727 WeakPolarHBondContact O-CG 3.1Å; L723-L727 PolarHBondContact O-N 2.88Å; Q724-L727 PolarHBondContact O-N 3.39Å; L727-A731 WeakPolarHBondContact O-CB 3.32Å; L727-A731 PolarHBondContact O-N 3.09Å; L727-Y740 HydrophobicContact CD2-CD2 4.46Å; L727-V742 HydrophobicContact CD2-CG2 3.9Å
728Q93.2Very high93.4Very high73 Ų7367.2 Ų67.234%0.34135%0.349SS..Hα-helixtrans-64.6-46.6171.8177.5175.4-22.600110.9Q724 Y726 E730 A731 E732Q724-Q728 WeakPolarHBondContact O-CB 3.3Å; Q724-Q728 PolarHBondContact O-N 3.43Å; Y726-Q728 VanDerWaalsContact C-N 3.34Å; Y726-Q728 PolarHBondContact O-N 2.98Å; Q728-E730 PolarHBondContact O-N 2.82Å; Q728-A731 CarbonylContact O-C 3.58Å; Q728-A731 WeakPolarHBondContact O-CA 3.47Å; Q728-A731 WeakPolarHBondContact O-CB 3.5Å; Q728-A731 PolarHBondContact O-N 3.02Å; Q728-A731 VanDerWaalsContact O-N 3.09Å; Q728-E732 VanDerWaalsContact CG-OE1 3.31Å; Q728-E732 WeakPolarHBondContact CG-OE1 3.26Å; Q728-E732 PolarHBondContact NE2-OE1 2.87Å; Q728-E732 WeakPolarHBondContact O-CG 3.1Å; Q728-E732 PolarHBondContact O-N 2.83Å
729K94.6Very high93.3Very high126 Ų12669.7 Ų69.755%0.54836%0.358SS..Hα-helixtrans-62.3-40.7177.6-176.8177.3177.41790112.5L725 Y726 A731 E732 L733L725-K729 WeakPolarHBondContact O-CB 3.4Å; L725-K729 PolarHBondContact O-N 2.92Å; Y726-K729 PolarHBondContact O-N 3.11Å; K729-A731 VanDerWaalsContact C-N 3.28Å; K729-A731 PolarHBondContact O-N 2.78Å; K729-E732 PolarHBondContact O-N 3.07Å; K729-L733 HydrophobicContact CG-CD1 4.14Å; K729-L733 WeakPolarHBondContact O-CB 3.34Å; K729-L733 VanDerWaalsContact O-CG 3.3Å; K729-L733 WeakPolarHBondContact O-CG 3.47Å; K729-L733 PolarHBondContact O-N 3.02Å
730E93.7Very high93.3Very high57 Ų5768.8 Ų68.827%0.26635%0.352SS..Hα-helixtrans-63.4-34.9173.8-69.1-66.9117.900111.8Y726 Q728 L733 N734 Y740Y726-E730 HydrophobicContact CD1-CG 4.02Å; Y726-E730 HydrophobicContact CE1-CG 3.64Å; Y726-E730 WeakPolarHBondContact O-CG 3.4Å; Y726-E730 PolarHBondContact O-N 3.35Å; Q728-E730 PolarHBondContact O-N 2.82Å; E730-L733 PolarHBondContact O-N 3.12Å; E730-N734 PolarHBondContact O-N 2.88Å; E730-Y740 HydrophobicContact CB-CD1 3.66Å; E730-Y740 HydrophobicContact CB-CE1 4.35Å; E730-Y740 HydrophobicContact CB-CG 3.98Å; E730-Y740 WeakPolarHBondContact O-CE1 3.48Å
731A92.8Very high93.4Very high20 Ų2071.3 Ų71.317%0.16537%0.366CS..Hα-helixtrans-71.4-33.2174.500000113.7T670 L727 Q728 K729 N734 P735 Y740T670-A731 HydrophobicContact CG2-CB 4.33Å; L727-A731 WeakPolarHBondContact O-CB 3.32Å; L727-A731 PolarHBondContact O-N 3.09Å; Q728-A731 CarbonylContact O-C 3.58Å; Q728-A731 WeakPolarHBondContact O-CA 3.47Å; Q728-A731 WeakPolarHBondContact O-CB 3.5Å; Q728-A731 PolarHBondContact O-N 3.02Å; Q728-A731 VanDerWaalsContact O-N 3.09Å; K729-A731 VanDerWaalsContact C-N 3.28Å; K729-A731 PolarHBondContact O-N 2.78Å; A731-N734 CarbonylContact O-C 3.5Å; A731-P735 VanDerWaalsContact O-CA 3.25Å; A731-P735 WeakPolarHBondContact O-CA 3.43Å; A731-P735 WeakPolarHBondContact O-CD 3.42Å; A731-P735 VanDerWaalsContact O-CG 3.31Å; A731-P735 WeakPolarHBondContact O-CG 3.32Å; A731-P735 VanDerWaalsContact O-N 3.14Å; A731-Y740 VanDerWaalsContact CA-CZ 3.45Å; A731-Y740 WeakPolarHBondContact CA-OH 3.34Å; A731-Y740 HydrophobicContact CB-CE1 4.15Å; A731-Y740 HydrophobicContact CB-CE2 3.8Å; A731-Y740 VanDerWaalsContact CB-CZ 3.49Å; A731-Y740 VanDerWaalsContact CB-OH 3.28Å; A731-Y740 WeakPolarHBondContact CB-OH 3.34Å
732E93.6Very high93.6Very high125 Ų12565.7 Ų65.758%0.58434%0.34SS*.Hα-helixtrans-70.2-37.9172.2-71.3165.3-172.800111.4Q728 K729Q728-E732 VanDerWaalsContact CG-OE1 3.31Å; Q728-E732 WeakPolarHBondContact CG-OE1 3.26Å; Q728-E732 PolarHBondContact NE2-OE1 2.87Å; Q728-E732 WeakPolarHBondContact O-CG 3.1Å; Q728-E732 PolarHBondContact O-N 2.83Å; K729-E732 PolarHBondContact O-N 3.07Å
733L94.6Very high93.7Very high120 Ų12065.9 Ų65.963%0.62834%0.344SS*.Hα-helixtrans-73.9-32.9176.6-71.6172.1000113.4K729 E730K729-L733 HydrophobicContact CG-CD1 4.14Å; K729-L733 WeakPolarHBondContact O-CB 3.34Å; K729-L733 VanDerWaalsContact O-CG 3.3Å; K729-L733 WeakPolarHBondContact O-CG 3.47Å; K729-L733 PolarHBondContact O-N 3.02Å; E730-L733 PolarHBondContact O-N 3.12Å
734N92.3Very high93.7Very high84 Ų8466 Ų6645%0.44935%0.345SS..  trans-141.377.5177.7-168.2-7.7000112.8E730 A731 Q736 A737E730-N734 PolarHBondContact O-N 2.88Å; A731-N734 CarbonylContact O-C 3.5Å; N734-Q736 PolarHBondContact O-N 3.46Å; N734-A737 HydrophobicContact CB-CB 4.32Å; N734-A737 PolarHBondContact O-N 2.84Å; N734-A737 VanDerWaalsContact O-N 3.17Å; N734-A737 PolarHBondContact OD1-N 2.87Å
735P89.7Confident93.8Very high88 Ų8864 Ų6457%0.57134%0.335SS*.THydrogen-bonded Turntrans-64.9-13-177.4-21.231.7000115.3A731A731-P735 VanDerWaalsContact O-CA 3.25Å; A731-P735 WeakPolarHBondContact O-CA 3.43Å; A731-P735 WeakPolarHBondContact O-CD 3.42Å; A731-P735 VanDerWaalsContact O-CG 3.31Å; A731-P735 WeakPolarHBondContact O-CG 3.32Å; A731-P735 VanDerWaalsContact O-N 3.14Å
736Q90.1Very high94Very high173 Ų17364 Ų6481%0.80833%0.331SS*.THydrogen-bonded Turntrans-96-5.4-178.6-56.9-59.4-33.900112.8N734N734-Q736 PolarHBondContact O-N 3.46Å
737A90.6Very high94.1Very high23 Ų2360.5 Ų60.519%0.1932%0.317CS..  trans-70.6132.3176.500000111.1A667 N734 Y739 Y740A667-A737 VanDerWaalsContact CB-O 3.26Å; A667-A737 WeakPolarHBondContact CB-O 3.45Å; N734-A737 HydrophobicContact CB-CB 4.32Å; N734-A737 PolarHBondContact O-N 2.84Å; N734-A737 VanDerWaalsContact O-N 3.17Å; N734-A737 PolarHBondContact OD1-N 2.87Å; A737-Y739 VanDerWaalsContact C-N 3.28Å; A737-Y740 HydrophobicContact CB-CD1 4.24Å; A737-Y740 HydrophobicContact CB-CE1 3.74Å
738S90.7Very high94.2Very high90 Ų9062.9 Ų62.963%0.62933%0.328SS*.SBendtrans-77.7-14.6174.653.80000113.3A667A667-S738 WeakPolarHBondContact CB-O 3.41Å; A667-S738 PolarHBondContact N-O 2.89Å
739Y95.3Very high94.3Very high54 Ų5459.9 Ų59.921%0.21231%0.314CS..EExtended strand (participates in β ladder)trans-155.7155.2174.260.7-89.6000111.7S617 F665 A737S617-Y739 PolarHBondContact O-OH 2.66Å; F665-Y739 CarbonylContact O-C 3.49Å; F665-Y739 WeakPolarHBondContact O-CA 3.38Å; F665-Y739 VanDerWaalsContact O-CB 3.29Å; F665-Y739 WeakPolarHBondContact O-CB 3.28Å; A737-Y739 VanDerWaalsContact C-N 3.28Å
740Y96.1Very high94.3Very high14 Ų1456.5 Ų56.56%0.05531%0.307CS..EExtended strand (participates in β ladder)trans-113.3142.5177.9-53.7-66.5000110.5S664 F665 A667 T670 L727 E730 A731 A737S664-Y740 CarbonylContact C-O 3.58Å; S664-Y740 WeakPolarHBondContact CA-O 3.45Å; F665-Y740 PolarHBondContact N-O 3.05Å; F665-Y740 PolarHBondContact O-N 3.43Å; A667-Y740 HydrophobicContact CB-CD2 4.44Å; A667-Y740 HydrophobicContact CB-CE2 3.63Å; T670-Y740 HydrophobicContact CG2-CD2 4.19Å; T670-Y740 HydrophobicContact CG2-CE2 3.88Å; L727-Y740 HydrophobicContact CD2-CD2 4.46Å; E730-Y740 HydrophobicContact CB-CD1 3.66Å; E730-Y740 HydrophobicContact CB-CE1 4.35Å; E730-Y740 HydrophobicContact CB-CG 3.98Å; E730-Y740 WeakPolarHBondContact O-CE1 3.48Å; A731-Y740 VanDerWaalsContact CA-CZ 3.45Å; A731-Y740 WeakPolarHBondContact CA-OH 3.34Å; A731-Y740 HydrophobicContact CB-CE1 4.15Å; A731-Y740 HydrophobicContact CB-CE2 3.8Å; A731-Y740 VanDerWaalsContact CB-CZ 3.49Å; A731-Y740 VanDerWaalsContact CB-OH 3.28Å; A731-Y740 WeakPolarHBondContact CB-OH 3.34Å; A737-Y740 HydrophobicContact CB-CD1 4.24Å; A737-Y740 HydrophobicContact CB-CE1 3.74Å
741N95.4Very high94.2Very high63 Ų6355.1 Ų55.134%0.33730%0.303SS..EExtended strand (participates in β ladder)trans-107127.9-176.1-73.3-34.3000110.8M662 S664M662-N741 HydrophobicContact CG-CB 4.19Å; M662-N741 HydrophobicContact SD-CB 3.73Å; S664-N741 WeakPolarHBondContact CB-OD1 3.13Å; S664-N741 PolarHBondContact OG-OD1 3.25Å
742V97Very high94.1Very high0 Ų061.3 Ų61.30%033%0.329CS..EExtended strand (participates in β ladder)trans-113.4122.6-179.8-177.60000108.9M662 M663 F665 L701 F718 L723 Y726 L727 V744M662-V742 CarbonylContact C-O 3.51Å; M662-V742 VanDerWaalsContact CA-O 3.32Å; M662-V742 WeakPolarHBondContact CA-O 3.15Å; M662-V742 WeakPolarHBondContact CG-O 3.5Å; M663-V742 PolarHBondContact N-O 2.97Å; M663-V742 PolarHBondContact O-N 2.99Å; F665-V742 HydrophobicContact CD2-CB 4.37Å; F665-V742 HydrophobicContact CD2-CG2 3.61Å; F665-V742 HydrophobicContact CE2-CB 3.99Å; F665-V742 HydrophobicContact CE2-CG2 3.57Å; L701-V742 HydrophobicContact CD1-CG1 3.4Å; L701-V742 VanDerWaalsContact CD1-CG1 3.4Å; F718-V742 HydrophobicContact CE1-CG1 4.49Å; L723-V742 HydrophobicContact CD1-CG2 4.12Å; Y726-V742 HydrophobicContact CD1-CG2 3.92Å; Y726-V742 HydrophobicContact CE1-CB 4.37Å; Y726-V742 HydrophobicContact CE1-CG1 4.43Å; Y726-V742 HydrophobicContact CE1-CG2 3.78Å; L727-V742 HydrophobicContact CD2-CG2 3.9Å; V742-V744 HydrophobicContact CG1-CG2 4.44Å; V742-V744 WeakPolarHBondContact O-CG2 3.24Å; V742-V744 PolarHBondContact O-N 3.1Å
743G96Very high93.8Very high28 Ų2858.8 Ų58.829%0.28932%0.319SS..EExtended strand (participates in β ladder)trans-72.7113168.400000110.1N698N698-G743 PolarHBondContact ND2-O 3.01Å
744V95.8Very high93.3Very high2 Ų255.1 Ų55.11%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-95.8-52.9-169.6179.70000111L661 M663 F684 N698 L702 F718 V742L661-V744 HydrophobicContact CD2-CG1 4.3Å; L661-V744 HydrophobicContact CG-CB 4.29Å; L661-V744 WeakPolarHBondContact O-CB 3.36Å; L661-V744 PolarHBondContact O-N 2.82Å; M663-V744 HydrophobicContact CB-CG2 3.75Å; M663-V744 HydrophobicContact CG-CG2 3.87Å; M663-V744 HydrophobicContact SD-CG2 4.25Å; F684-V744 HydrophobicContact CE1-CG1 3.7Å; F684-V744 HydrophobicContact CE2-CG1 4.21Å; F684-V744 HydrophobicContact CZ-CG1 3.32Å; N698-V744 VanDerWaalsContact CB-O 3.22Å; N698-V744 WeakPolarHBondContact CB-O 3.49Å; N698-V744 PolarHBondContact N-O 3.38Å; L702-V744 HydrophobicContact CD1-CG1 3.72Å; L702-V744 VanDerWaalsContact CD1-O 3.24Å; L702-V744 WeakPolarHBondContact CD1-O 3.4Å; L702-V744 HydrophobicContact CD2-CG1 4.28Å; F718-V744 HydrophobicContact CZ-CG1 4.31Å; F718-V744 HydrophobicContact CZ-CG2 4.02Å; V742-V744 HydrophobicContact CG1-CG2 4.44Å; V742-V744 WeakPolarHBondContact O-CG2 3.24Å; V742-V744 PolarHBondContact O-N 3.1Å
745L95.9Very high92.8Very high3 Ų352.4 Ų52.42%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-158.8139.2-171.6164.9144.3000111.1L661 L686 F695 P697 F716 Y747L661-L745 HydrophobicContact CB-CB 4.47Å; L661-L745 HydrophobicContact CB-CD2 4.25Å; L661-L745 WeakPolarHBondContact CB-O 3.48Å; L661-L745 HydrophobicContact CD2-CD2 4.49Å; L661-L745 PolarHBondContact N-O 2.95Å; L661-L745 PolarHBondContact O-N 3.08Å; L686-L745 HydrophobicContact CD1-CD1 3.84Å; L686-L745 HydrophobicContact CD1-CD2 3.9Å; F695-L745 HydrophobicContact CD1-CD1 3.79Å; F695-L745 HydrophobicContact CD1-CD2 3.96Å; F695-L745 HydrophobicContact CD1-CG 4.2Å; F695-L745 HydrophobicContact CE1-CD1 4.44Å; F695-L745 HydrophobicContact CE1-CD2 4.21Å; P697-L745 HydrophobicContact CB-CD1 4.18Å; F716-L745 HydrophobicContact CE1-CD1 4.12Å; F716-L745 HydrophobicContact CE2-CD1 4.05Å; F716-L745 HydrophobicContact CZ-CD1 3.59Å; L745-Y747 HydrophobicContact CD2-CD1 3.83Å
746K97.4Very high92.6Very high121 Ų12152.5 Ų52.553%0.52628%0.284SS..EExtended strand (participates in β ladder)trans-109.1151.2170-72.1176.3-179.9179.30110.6G659 D660 L696G659-K746 CarbonylContact O-C 3.56Å; G659-K746 WeakPolarHBondContact O-CA 3.44Å; D660-K746 HydrophobicContact CB-CG 4.46Å; D660-K746 WeakPolarHBondContact OD1-CE 3.24Å; D660-K746 WeakPolarHBondContact OD1-CG 3.28Å; L696-K746 HydrophobicContact CB-CB 4.27Å; L696-K746 PolarHBondContact N-O 3.27Å; L696-K746 PolarHBondContact O-N 2.92Å
747Y97Very high92.7Very high6 Ų644.2 Ų44.22%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-147.6161.2-178.661.5-83000113I637 E639 G659 I692 N694 L745 M871I637-Y747 VanDerWaalsContact CG2-OH 3.27Å; I637-Y747 WeakPolarHBondContact CG2-OH 3.38Å; E639-Y747 HydrophobicContact CG-CE2 4.43Å; E639-Y747 VanDerWaalsContact CG-OH 3.28Å; E639-Y747 WeakPolarHBondContact CG-OH 3.4Å; E639-Y747 PolarHBondContact OE1-OH 2.86Å; G659-Y747 PolarHBondContact N-O 2.89Å; G659-Y747 PolarHBondContact O-N 3.43Å; I692-Y747 HydrophobicContact CD1-CD2 3.59Å; I692-Y747 HydrophobicContact CD1-CE2 3.99Å; I692-Y747 HydrophobicContact CD1-CG 4.13Å; I692-Y747 HydrophobicContact CG1-CD2 4.01Å; I692-Y747 HydrophobicContact CG2-CD2 4.33Å; N694-Y747 VanDerWaalsContact O-CA 3.23Å; N694-Y747 WeakPolarHBondContact O-CA 3.37Å; N694-Y747 WeakPolarHBondContact O-CB 3.38Å; L745-Y747 HydrophobicContact CD2-CD1 3.83Å; Y747-M871 HydrophobicContact CD1-CE 4.31Å; Y747-M871 HydrophobicContact CD1-SD 4.15Å; Y747-M871 HydrophobicContact CE1-CE 3.45Å; Y747-M871 VanDerWaalsContact CE1-CE 3.45Å; Y747-M871 HydrophobicContact CE1-SD 3.75Å; Y747-M871 HydrophobicContact CE2-SD 4.3Å
748Q96.6Very high92.8Very high51 Ų5143.1 Ų43.124%0.23824%0.236CC..EExtended strand (participates in β ladder)trans-135138.6177.1-176.4-179.4-50.300111.4K656 I657 I692 D693 N694 S750K656-Q748 HydrophobicContact CD-CG 4.3Å; K656-Q748 VanDerWaalsContact CE-CD 3.45Å; K656-Q748 VanDerWaalsContact CE-OE1 3.25Å; K656-Q748 HydrophobicContact CG-CG 4.21Å; K656-Q748 VanDerWaalsContact NZ-CD 3.3Å; I657-Q748 WeakPolarHBondContact O-CA 3.49Å; I692-Q748 WeakPolarHBondContact CG2-O 3.44Å; D693-Q748 PolarHBondContact N-O 2.83Å; N694-Q748 HydrophobicContact CB-CB 4.44Å; N694-Q748 PolarHBondContact N-O 3.25Å; N694-Q748 PolarHBondContact O-N 2.89Å; Q748-S750 PolarHBondContact NE2-OG 3.26Å
749V95.4Very high92.9Very high9 Ų939 Ų396%0.05521%0.207CC..EExtended strand (participates in β ladder)trans-114.9134.8165.9-179.90000108.3K656 I657 R691 I692K656-V749 WeakPolarHBondContact CA-O 3.35Å; I657-V749 HydrophobicContact CB-CB 4.14Å; I657-V749 HydrophobicContact CD1-CB 4.38Å; I657-V749 PolarHBondContact N-O 3.15Å; I657-V749 PolarHBondContact O-N 2.71Å; R691-V749 VanDerWaalsContact O-CG1 3.25Å; R691-V749 WeakPolarHBondContact O-CG1 3.42Å; R691-V749 WeakPolarHBondContact O-CG2 3.47Å; I692-V749 HydrophobicContact CG1-CG2 3.95Å
750S94.2Very high92.8Very high55 Ų5538.8 Ų38.839%0.38521%0.209SC..EExtended strand (participates in β ladder)trans-132128.6-179.6-43.60000110.5D693 Q748D693-S750 PolarHBondContact OD1-N 3.29Å; D693-S750 VanDerWaalsContact OD2-CB 3.26Å; D693-S750 WeakPolarHBondContact OD2-CB 3.27Å; D693-S750 PolarHBondContact OD2-N 3.06Å; D693-S750 VanDerWaalsContact OD2-N 3.09Å; D693-S750 PolarHBondContact OD2-OG 3.01Å; Q748-S750 PolarHBondContact NE2-OG 3.26Å
751S91.8Very high92.6Very high28 Ų2838.3 Ų38.320%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-147.7152-176.3-172.20000113.4V655 D753 R756V655-S751 PolarHBondContact N-O 3.41Å; V655-S751 PolarHBondContact O-N 3.01Å; S751-D753 WeakPolarHBondContact OG-CB 3.31Å; S751-D753 PolarHBondContact OG-N 3.43Å; S751-R756 WeakPolarHBondContact OG-CG 3.46Å
752Q90.6Very high92.4Very high150 Ų15037.2 Ų37.270%0.70121%0.205SC*.SBendtrans-105-5.2167.2-50.3-169.316.700112.4C653 L654 P754C653-Q752 WeakPolarHBondContact O-CA 3.45Å; L654-Q752 HydrophobicContact CD2-CG 3.94Å; Q752-P754 WeakPolarHBondContact O-CD 3.29Å
753D86.6Confident92.2Very high72 Ų7237.3 Ų37.339%0.38521%0.205SC..  trans-78.6117.3177.2161.138.3000110.2S751 G755 R756S751-D753 WeakPolarHBondContact OG-CB 3.31Å; S751-D753 PolarHBondContact OG-N 3.43Å; D753-G755 PolarHBondContact O-N 2.88Å; D753-G755 VanDerWaalsContact O-N 3.12Å; D753-G755 VanDerWaalsContact OD1-CA 3.24Å; D753-G755 WeakPolarHBondContact OD1-CA 3.31Å; D753-G755 PolarHBondContact OD1-N 3.27Å; D753-R756 HydrophobicContact CB-CG 4.37Å; D753-R756 PolarHBondContact O-N 3.31Å; D753-R756 IonicContact OD2-NE 3.13Å; D753-R756 PolarHBondContact OD2-NE 3.49Å; D753-R756 VanDerWaalsContact OD2-NE 3.08Å
754P84.2Confident92Very high44 Ų4440.2 Ų40.229%0.28621%0.212SC..G310 helixtrans-58.4-20.7173.2-20.932.6000113C653 Q752 R756 A757 L760C653-P754 HydrophobicContact CB-CB 4.16Å; C653-P754 HydrophobicContact CB-CG 3.87Å; Q752-P754 WeakPolarHBondContact O-CD 3.29Å; P754-R756 PolarHBondContact O-N 3.09Å; P754-A757 WeakPolarHBondContact O-CB 3.44Å; P754-A757 PolarHBondContact O-N 2.96Å; P754-L760 HydrophobicContact CB-CD2 4.44Å
755G82.6Confident91.8Very high27 Ų2740.3 Ų40.328%0.27821%0.212SC..G310 helixtrans-56.9-9.1170.100000115.2D753 T784D753-G755 PolarHBondContact O-N 2.88Å; D753-G755 VanDerWaalsContact O-N 3.12Å; D753-G755 VanDerWaalsContact OD1-CA 3.24Å; D753-G755 WeakPolarHBondContact OD1-CA 3.31Å; D753-G755 PolarHBondContact OD1-N 3.27Å; G755-T784 VanDerWaalsContact O-CB 3.27Å; G755-T784 WeakPolarHBondContact O-CB 3.43Å; G755-T784 VanDerWaalsContact O-CG2 3.23Å; G755-T784 WeakPolarHBondContact O-CG2 3.47Å
756R86.5Confident91.5Very high89 Ų8944.6 Ų44.634%0.33623%0.232SC..G310 helixtrans-101.3-2.1174.6-50.9-49.1176.8122.44.5114.3V655 S751 D753 P754V655-R756 HydrophobicContact CB-CB 4.42Å; V655-R756 HydrophobicContact CG1-CB 4.26Å; V655-R756 HydrophobicContact CG2-CB 4.44Å; S751-R756 WeakPolarHBondContact OG-CG 3.46Å; D753-R756 HydrophobicContact CB-CG 4.37Å; D753-R756 PolarHBondContact O-N 3.31Å; D753-R756 IonicContact OD2-NE 3.13Å; D753-R756 PolarHBondContact OD2-NE 3.49Å; D753-R756 VanDerWaalsContact OD2-NE 3.08Å; P754-R756 PolarHBondContact O-N 3.09Å
757A91.3Very high91.2Very high0 Ų042.5 Ų42.50%022%0.221CC..  trans-96.5126.317600000110F645 V655 P754 L759 L760 T784F645-A757 HydrophobicContact CE1-CB 4.5Å; F645-A757 HydrophobicContact CZ-CB 3.68Å; V655-A757 HydrophobicContact CG2-CB 4.06Å; P754-A757 WeakPolarHBondContact O-CB 3.44Å; P754-A757 PolarHBondContact O-N 2.96Å; A757-L759 PolarHBondContact O-N 3.06Å; A757-L760 WeakPolarHBondContact O-CD1 3.32Å; A757-T784 VanDerWaalsContact O-CB 3.31Å; A757-T784 WeakPolarHBondContact O-CB 3.41Å; A757-T784 PolarHBondContact O-OG1 2.9Å
758P92.1Very high90.8Very high0 Ų046.6 Ų46.60%025%0.251CS..SBendtrans-73.8-16.2179.832.5-37.6000112.9I641 C780 A785 F861 L868I641-P758 HydrophobicContact CD1-CG 4.34Å; P758-C780 WeakPolarHBondContact O-CA 3.45Å; P758-A785 HydrophobicContact CB-CB 4.08Å; P758-F861 HydrophobicContact CG-CE2 3.95Å; P758-F861 HydrophobicContact CG-CZ 3.69Å; P758-L868 HydrophobicContact CB-CD2 4.02Å; P758-L868 HydrophobicContact CG-CD2 3.89Å
759L93.1Very high90.4Very high2 Ų247 Ų471%0.0127%0.268CS..SBendtrans-135.7101.2178.5-177.361.5000108.7A757 L761 Y778 C780 L790 L828 V859 F861 Y894A757-L759 PolarHBondContact O-N 3.06Å; L759-L761 HydrophobicContact CD2-CD2 4.39Å; L759-L761 HydrophobicContact CG-CD2 4.1Å; L759-Y778 HydrophobicContact CD1-CD2 4.44Å; L759-C780 HydrophobicContact CD1-CB 4.2Å; L759-L790 HydrophobicContact CB-CD1 3.94Å; L759-L790 HydrophobicContact CD2-CD1 4.42Å; L759-L828 HydrophobicContact CD1-CD1 3.65Å; L759-L828 HydrophobicContact CD2-CD1 4.22Å; L759-V859 HydrophobicContact CD2-CG1 3.84Å; L759-F861 HydrophobicContact CB-CE1 4Å; L759-F861 HydrophobicContact CD2-CD1 3.87Å; L759-F861 HydrophobicContact CD2-CE1 3.96Å; L759-Y894 HydrophobicContact CB-CE1 4.44Å; L759-Y894 PolarHBondContact N-OH 2.91Å; L759-Y894 WeakPolarHBondContact O-CE1 3.47Å; L759-Y894 PolarHBondContact O-OH 2.89Å
760L92.4Very high90Very high51 Ų5148.9 Ų48.927%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-73142.3176-74.970.7000109F645 P754 A757 Y778 H779 C781F645-L760 HydrophobicContact CE1-CB 4.38Å; F645-L760 HydrophobicContact CE1-CG 4.44Å; P754-L760 HydrophobicContact CB-CD2 4.44Å; A757-L760 WeakPolarHBondContact O-CD1 3.32Å; L760-Y778 WeakPolarHBondContact O-CA 3.38Å; L760-H779 PolarHBondContact N-O 3.34Å; L760-H779 PolarHBondContact O-N 3.25Å; L760-C781 HydrophobicContact CD1-CB 3.67Å
761L92.6Very high89.9Confident4 Ų448.9 Ų48.92%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-127.1139.4-179.6-57.8177.7000109.9F645 N651 L759 L776 D777 V859 Y894 A896F645-L761 HydrophobicContact CB-CB 4.46Å; F645-L761 HydrophobicContact CD1-CB 4.47Å; F645-L761 WeakPolarHBondContact CD1-O 3.46Å; F645-L761 HydrophobicContact CD2-CB 3.84Å; F645-L761 HydrophobicContact CD2-CD1 4.01Å; F645-L761 HydrophobicContact CD2-CG 4.1Å; F645-L761 HydrophobicContact CE2-CB 4.15Å; F645-L761 HydrophobicContact CE2-CD1 4.14Å; F645-L761 HydrophobicContact CE2-CG 4.04Å; F645-L761 HydrophobicContact CG-CB 4.02Å; N651-L761 PolarHBondContact ND2-O 2.87Å; L759-L761 HydrophobicContact CD2-CD2 4.39Å; L759-L761 HydrophobicContact CG-CD2 4.1Å; L761-L776 HydrophobicContact CB-CD1 4.1Å; L761-L776 HydrophobicContact CD2-CD1 4.29Å; L761-L776 HydrophobicContact CD2-CD2 4.48Å; L761-D777 WeakPolarHBondContact CA-O 3.46Å; L761-V859 HydrophobicContact CD1-CB 4.28Å; L761-V859 HydrophobicContact CD1-CG2 3.57Å; L761-V859 HydrophobicContact CD2-CG2 4.04Å; L761-V859 HydrophobicContact CG-CG2 4.49Å; L761-Y894 HydrophobicContact CD1-CD1 3.87Å; L761-Y894 HydrophobicContact CD1-CE1 3.8Å; L761-Y894 HydrophobicContact CG-CE1 4.24Å; L761-A896 HydrophobicContact CB-CB 3.84Å; L761-A896 HydrophobicContact CD1-CB 3.98Å
762S92.1Very high89.9Confident40 Ų4047.7 Ų47.728%0.2827%0.269SS..EExtended strand (participates in β ladder)trans-131.3125.1168-165.30000108.5L776 D777S762-L776 CarbonylContact O-C 3.58Å; S762-L776 WeakPolarHBondContact O-CA 3.1Å; S762-D777 PolarHBondContact N-O 3.28Å; S762-D777 PolarHBondContact O-N 3.47Å
763A92.4Very high90Very high1 Ų145.8 Ų45.81%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-124.5135-176.200000111.2S775 L776 L857 A896 C898 S899A763-S775 WeakPolarHBondContact CA-O 3.4Å; A763-L776 HydrophobicContact CB-CD1 4Å; A763-L857 HydrophobicContact CB-CD1 3.82Å; A763-A896 HydrophobicContact CB-CB 3.87Å; A763-C898 HydrophobicContact CB-CB 4.25Å; A763-C898 WeakPolarHBondContact O-CA 3.41Å; A763-S899 PolarHBondContact O-N 3.26Å
764E91.4Very high90.4Very high90 Ų9042.5 Ų42.542%0.42124%0.238SC..EExtended strand (participates in β ladder)trans-128.8143.3-179.8-62.9-170.9172.900110.2V774 S775E764-V774 VanDerWaalsContact O-CA 3.32Å; E764-V774 WeakPolarHBondContact O-CA 3.4Å; E764-S775 PolarHBondContact N-O 2.82Å; E764-S775 PolarHBondContact O-N 2.91Å
765C90.9Very high90.8Very high3 Ų341.4 Ų41.42%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-130.4122.5179.3-178.90000108.8R773 V774 P854 C898 S899 L900C765-R773 CarbonylContact C-O 3.56Å; C765-R773 WeakPolarHBondContact CA-O 3.42Å; C765-V774 HydrophobicContact CB-CG2 4.2Å; C765-P854 HydrophobicContact CB-CB 4.17Å; C765-C898 HydrophobicContact CB-CB 3.5Å; C765-C898 VanDerWaalsContact CB-CB 3.5Å; C765-S899 WeakPolarHBondContact CB-O 3.31Å; C765-S899 PolarHBondContact N-O 3.41Å; C765-L900 HydrophobicContact CB-CD2 3.96Å; C765-L900 VanDerWaalsContact SG-CD2 3.59Å
766Q90.7Very high91.4Very high94 Ų9440.1 Ų40.144%0.43922%0.218SC..EExtended strand (participates in β ladder)trans-114.7129.7178.7-64.2172.42.700108.2R773Q766-R773 PolarHBondContact N-O 3.05Å; Q766-R773 PolarHBondContact O-N 2.99Å
767R89.6Confident91.8Very high76 Ų7639.6 Ų39.629%0.28722%0.222SC..EExtended strand (participates in β ladder)trans-122.3119.2-178.8-71.3-178.7174.1165.72.2110.6V771 T772 P850 G852 P853 L900R767-V771 WeakPolarHBondContact CA-O 3.24Å; R767-T772 HydrophobicContact CG-CG2 4.18Å; R767-P850 PolarHBondContact NH1-O 3.48Å; R767-G852 PolarHBondContact NH1-O 3.29Å; R767-G852 PolarHBondContact NH2-O 3.04Å; R767-P853 PolarHBondContact NH2-O 2.96Å; R767-L900 HydrophobicContact CG-CD2 3.95Å
768S89.3Confident91.8Very high93 Ų9340.9 Ų40.965%0.6523%0.227SC*.EExtended strand (participates in β ladder)trans-123.387.8-179.5-66.50000109.2T770 V771S768-T770 PolarHBondContact O-N 3.04Å; S768-V771 PolarHBondContact N-O 2.92Å; S768-V771 PolarHBondContact O-N 3.08Å; S768-V771 VanDerWaalsContact O-N 3.13Å
769G87.8Confident91.8Very high59 Ų5943.8 Ų43.861%0.60824%0.24SC*.THydrogen-bonded Turntrans65.3-116.4-173.900000111.8
770T88.1Confident91.6Very high49 Ų4943.8 Ų43.830%0.30124%0.24SC..THydrogen-bonded Turntrans-82.1-16175.945.70000113.8S768 C846S768-T770 PolarHBondContact O-N 3.04Å; T770-C846 VanDerWaalsContact CB-O 3.31Å; T770-C846 WeakPolarHBondContact CB-O 3.45Å; T770-C846 WeakPolarHBondContact CG2-O 3.21Å; T770-C846 PolarHBondContact O-N 2.88Å
771V90.8Very high90.7Very high55 Ų5542.5 Ų42.533%0.33324%0.235SC..EExtended strand (participates in β ladder)trans-88.3128.5-178.1-1780000110.3R767 S768 W844 Q845R767-V771 WeakPolarHBondContact CA-O 3.24Å; S768-V771 PolarHBondContact N-O 2.92Å; S768-V771 PolarHBondContact O-N 3.08Å; S768-V771 VanDerWaalsContact O-N 3.13Å; V771-W844 WeakPolarHBondContact CA-O 3.23Å; V771-Q845 HydrophobicContact CG2-CB 4.49Å; V771-Q845 HydrophobicContact CG2-CG 4.42Å
772T91.9Very high89.7Confident2 Ų245.5 Ų45.51%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-114.1135170.3-600000109.5R767 V774 S843 W844 P850R767-T772 HydrophobicContact CG-CG2 4.18Å; T772-V774 HydrophobicContact CG2-CG2 4.29Å; T772-S843 CarbonylContact O-C 3.48Å; T772-S843 WeakPolarHBondContact O-CA 3.27Å; T772-W844 HydrophobicContact CG2-CH2 3.9Å; T772-W844 HydrophobicContact CG2-CZ2 3.53Å; T772-W844 PolarHBondContact N-O 2.89Å; T772-W844 PolarHBondContact O-N 2.93Å; T772-P850 WeakPolarHBondContact OG1-CG 3.31Å
773R93.3Very high88.4Confident111 Ų11148.1 Ų48.142%0.41928%0.279SS..EExtended strand (participates in β ladder)trans-121.4135.3170-178.2176.9-172.4-146.11.7109.3C765 Q766 A842C765-R773 CarbonylContact C-O 3.56Å; C765-R773 WeakPolarHBondContact CA-O 3.42Å; Q766-R773 PolarHBondContact N-O 3.05Å; Q766-R773 PolarHBondContact O-N 2.99Å; R773-A842 CarbonylContact C-O 3.56Å; R773-A842 WeakPolarHBondContact CA-O 3.31Å
774V94.3Very high87.1Confident2 Ų249.5 Ų49.51%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-125.8133.1175.1172.30000109.2E764 C765 T772 L797 C841 A842 W844 P855 L857E764-V774 VanDerWaalsContact O-CA 3.32Å; E764-V774 WeakPolarHBondContact O-CA 3.4Å; C765-V774 HydrophobicContact CB-CG2 4.2Å; T772-V774 HydrophobicContact CG2-CG2 4.29Å; V774-L797 HydrophobicContact CB-CD2 4.43Å; V774-L797 HydrophobicContact CG1-CD2 4.47Å; V774-C841 CarbonylContact O-C 3.57Å; V774-C841 WeakPolarHBondContact O-CA 3.42Å; V774-C841 WeakPolarHBondContact O-CB 3.44Å; V774-A842 PolarHBondContact N-O 3.14Å; V774-A842 PolarHBondContact O-N 2.97Å; V774-W844 HydrophobicContact CB-CH2 4.29Å; V774-W844 HydrophobicContact CB-CZ3 4.33Å; V774-W844 HydrophobicContact CG2-CH2 3.64Å; V774-W844 HydrophobicContact CG2-CZ3 4.15Å; V774-P855 HydrophobicContact CG2-CG 3.67Å; V774-L857 HydrophobicContact CG1-CD1 3.88Å; V774-L857 HydrophobicContact CG1-CD2 4.38Å
775S94.1Very high85.8Confident21 Ų2145.8 Ų45.815%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-121.3146.4170.938.50000111A763 E764 L840A763-S775 WeakPolarHBondContact CA-O 3.4Å; E764-S775 PolarHBondContact N-O 2.82Å; E764-S775 PolarHBondContact O-N 2.91Å; S775-L840 CarbonylContact C-O 3.27Å; S775-L840 VanDerWaalsContact CA-O 3.32Å; S775-L840 WeakPolarHBondContact CA-O 3.38Å
776L95.1Very high84.6Confident0 Ų046.7 Ų46.70%028%0.278CS..EExtended strand (participates in β ladder)trans-131.8114.2174.1176.577.4000109L761 S762 A763 V795 T839 L840 L857 V859 A896L761-L776 HydrophobicContact CB-CD1 4.1Å; L761-L776 HydrophobicContact CD2-CD1 4.29Å; L761-L776 HydrophobicContact CD2-CD2 4.48Å; S762-L776 CarbonylContact O-C 3.58Å; S762-L776 WeakPolarHBondContact O-CA 3.1Å; A763-L776 HydrophobicContact CB-CD1 4Å; L776-V795 HydrophobicContact CD2-CG1 3.59Å; L776-V795 HydrophobicContact CD2-CG2 4.13Å; L776-T839 WeakPolarHBondContact O-CA 3.4Å; L776-L840 HydrophobicContact CB-CD1 3.91Å; L776-L840 HydrophobicContact CB-CG 4.17Å; L776-L840 HydrophobicContact CD2-CD1 4.45Å; L776-L840 HydrophobicContact CD2-CD2 4.46Å; L776-L840 HydrophobicContact CD2-CG 4.49Å; L776-L840 PolarHBondContact N-O 3.12Å; L776-L840 PolarHBondContact O-N 2.85Å; L776-L857 HydrophobicContact CB-CD1 4.42Å; L776-L857 HydrophobicContact CB-CD2 4Å; L776-L857 HydrophobicContact CD1-CD1 4.38Å; L776-L857 HydrophobicContact CD2-CD2 4.16Å; L776-V859 HydrophobicContact CD2-CG2 4.37Å; L776-A896 HydrophobicContact CD1-CB 3.89Å
777D93.5Very high83.7Confident78 Ų7847.4 Ų47.442%0.41729%0.293SS..EExtended strand (participates in β ladder)trans-89.1137.4165.2-61.5-31.9000109.4L761 S762 T839L761-D777 WeakPolarHBondContact CA-O 3.46Å; S762-D777 PolarHBondContact N-O 3.28Å; S762-D777 PolarHBondContact O-N 3.47Å; D777-T839 WeakPolarHBondContact OD1-CB 3.49Å; D777-T839 PolarHBondContact OD1-OG1 2.9Å
778Y93.2Very high83.2Confident28 Ų2845.2 Ų45.211%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-130.5139.3178.961.2-94.2000111.2L759 L760 L825 L828 S837 G838 L840L759-Y778 HydrophobicContact CD1-CD2 4.44Å; L760-Y778 WeakPolarHBondContact O-CA 3.38Å; Y778-L825 HydrophobicContact CD1-CD1 4.2Å; Y778-L825 HydrophobicContact CE1-CD1 3.77Å; Y778-L825 HydrophobicContact CE1-CD2 4.44Å; Y778-L825 HydrophobicContact CE2-CD1 4.17Å; Y778-L828 HydrophobicContact CD2-CD1 3.89Å; Y778-L828 HydrophobicContact CD2-CD2 4.42Å; Y778-L828 HydrophobicContact CE2-CD1 4.07Å; Y778-L828 HydrophobicContact CE2-CD2 3.81Å; Y778-S837 VanDerWaalsContact O-CA 3.31Å; Y778-S837 WeakPolarHBondContact O-CA 3.37Å; Y778-G838 WeakPolarHBondContact CD1-O 3.36Å; Y778-G838 VanDerWaalsContact CE1-C 3.48Å; Y778-G838 PolarHBondContact N-O 2.93Å; Y778-G838 PolarHBondContact O-N 3.37Å; Y778-L840 HydrophobicContact CE1-CD2 4.39Å
779H90.6Very high83.2Confident61 Ų6145.2 Ų45.228%0.28228%0.278SS..EExtended strand (participates in β ladder)trans-142.7111.5-179.2-178.662.3000112.2L760 C781 S837L760-H779 PolarHBondContact N-O 3.34Å; L760-H779 PolarHBondContact O-N 3.25Å; H779-C781 PolarHBondContact O-N 3.08Å; H779-S837 PolarHBondContact ND1-OG 2.62Å
780C89.2Confident83.4Confident1 Ų142.5 Ų42.51%0.00725%0.25CC..  trans-7595.9170-171.40000108.6P758 L759 L828 G836P758-C780 WeakPolarHBondContact O-CA 3.45Å; L759-C780 HydrophobicContact CD1-CB 4.2Å; C780-L828 HydrophobicContact CB-CB 4.21Å; C780-G836 VanDerWaalsContact CB-O 3.27Å; C780-G836 WeakPolarHBondContact CB-O 3.44Å; C780-G836 PolarHBondContact N-O 3.26Å
781C74.4Confident83.7Confident24 Ų2442.4 Ų42.416%0.16225%0.249CC..  trans-78.9128.5-168.1179.40000112L760 H779 A783 T784 A785L760-C781 HydrophobicContact CD1-CB 3.67Å; H779-C781 PolarHBondContact O-N 3.08Å; C781-A783 PolarHBondContact O-N 3.18Å; C781-A783 VanDerWaalsContact O-N 3.08Å; C781-T784 HydrophobicContact CB-CG2 4.02Å; C781-T784 WeakPolarHBondContact CB-OG1 3.26Å; C781-T784 PolarHBondContact O-N 2.79Å; C781-T784 VanDerWaalsContact O-N 3.1Å; C781-T784 PolarHBondContact O-OG1 2.84Å; C781-A785 WeakPolarHBondContact O-CB 3.39Å; C781-A785 PolarHBondContact O-N 3.34Å
782P70.8Confident83.9Confident68 Ų6842.6 Ų42.644%0.44226%0.256SS..THydrogen-bonded Turntrans-62.5-18.8-177.9-18.227.8000115.3P830P782-P830 WeakPolarHBondContact CG-O 3.39Å
783A64.8Low84.1Confident95 Ų9542.6 Ų42.679%0.78526%0.256SS*.THydrogen-bonded Turntrans-90.8-11.4179.800000113.8C781C781-A783 PolarHBondContact O-N 3.18Å; C781-A783 VanDerWaalsContact O-N 3.08Å
784T65.3Low84.2Confident30 Ų3039.9 Ų39.918%0.18425%0.249CC..THydrogen-bonded Turntrans-126.3-35.9-168.575.30000112.3G755 A757 C781G755-T784 VanDerWaalsContact O-CB 3.27Å; G755-T784 WeakPolarHBondContact O-CB 3.43Å; G755-T784 VanDerWaalsContact O-CG2 3.23Å; G755-T784 WeakPolarHBondContact O-CG2 3.47Å; A757-T784 VanDerWaalsContact O-CB 3.31Å; A757-T784 WeakPolarHBondContact O-CB 3.41Å; A757-T784 PolarHBondContact O-OG1 2.9Å; C781-T784 HydrophobicContact CB-CG2 4.02Å; C781-T784 WeakPolarHBondContact CB-OG1 3.26Å; C781-T784 PolarHBondContact O-N 2.79Å; C781-T784 VanDerWaalsContact O-N 3.1Å; C781-T784 PolarHBondContact O-OG1 2.84Å
785A64.2Low84.3Confident11 Ų1139.9 Ų39.99%0.09125%0.249CC..SBendtrans-72.2134.3171.900000109.8P758 C781 P830P758-A785 HydrophobicContact CB-CB 4.08Å; C781-A785 WeakPolarHBondContact O-CB 3.39Å; C781-A785 PolarHBondContact O-N 3.34Å; A785-P830 HydrophobicContact CB-CB 3.94Å; A785-P830 HydrophobicContact CB-CG 4.05Å
786P66.1Low84.4Confident22 Ų2239.4 Ų39.414%0.14324%0.244CC..  trans-62.2160.4167.427.5-33.7000110.4T788 T866 L868 F889P786-T788 HydrophobicContact CG-CG2 4.17Å; P786-T788 PolarHBondContact O-N 2.86Å; P786-T866 HydrophobicContact CB-CG2 4.01Å; P786-T866 WeakPolarHBondContact CB-OG1 3.46Å; P786-T866 WeakPolarHBondContact CG-OG1 3.34Å; P786-L868 HydrophobicContact CG-CD2 3.91Å; P786-F889 HydrophobicContact CG-CE1 3.67Å; P786-F889 HydrophobicContact CG-CZ 3.86Å
787S70.4Confident84.4Confident110 Ų11039.4 Ų39.477%0.76924%0.244SC*.SBendtrans-69.322.9-173.464.30000115.9
788T80.8Confident84.3Confident30 Ų3039.1 Ų39.118%0.18425%0.246CC..SBendtrans-107.4169.6175.9-163.20000110.3P786 P830 S864 T866 F889P786-T788 HydrophobicContact CG-CG2 4.17Å; P786-T788 PolarHBondContact O-N 2.86Å; T788-P830 WeakPolarHBondContact O-CD 3.27Å; T788-S864 VanDerWaalsContact CB-O 3.28Å; T788-S864 WeakPolarHBondContact CB-O 3.34Å; T788-S864 WeakPolarHBondContact CG2-O 3.39Å; T788-S864 PolarHBondContact OG1-O 2.91Å; T788-T866 VanDerWaalsContact CG2-OG1 3.24Å; T788-T866 WeakPolarHBondContact CG2-OG1 3.36Å; T788-F889 HydrophobicContact CG2-CE1 3.95Å; T788-F889 HydrophobicContact CG2-CZ 4Å
789Q87.9Confident84Confident92 Ų9238.8 Ų38.843%0.4325%0.247SC..  trans-86.5143.5173.9-64.8-176.62.200110.9T791 L828Q789-T791 HydrophobicContact CB-CG2 4.26Å; Q789-L828 WeakPolarHBondContact CA-O 3.29Å
790L92.4Very high83.6Confident2 Ų239 Ų391%0.0125%0.25CC..BIsolated β-bridgetrans-80.9121.7164.6-54.3-177000107.5L759 V793 N827 L828 F861 F889L759-L790 HydrophobicContact CB-CD1 3.94Å; L759-L790 HydrophobicContact CD2-CD1 4.42Å; L790-V793 HydrophobicContact CB-CG2 4.07Å; L790-V793 WeakPolarHBondContact O-CG2 3.22Å; L790-N827 CarbonylContact O-C 3.59Å; L790-N827 WeakPolarHBondContact O-CA 3.49Å; L790-L828 HydrophobicContact CB-CB 4.31Å; L790-L828 PolarHBondContact N-O 3.46Å; L790-L828 PolarHBondContact O-N 2.79Å; L790-F861 HydrophobicContact CB-CB 4.32Å; L790-F861 HydrophobicContact CD1-CD2 4.45Å; L790-F861 HydrophobicContact CD1-CG 4.41Å; L790-F861 HydrophobicContact CD2-CD2 3.9Å; L790-F861 HydrophobicContact CD2-CE2 4.12Å; L790-F889 HydrophobicContact CD2-CE2 3.68Å; L790-F889 HydrophobicContact CD2-CZ 3.81Å
791T94.6Very high82.8Confident47 Ų4744.6 Ų44.629%0.28828%0.276SS..EExtended strand (participates in β ladder)trans-117.9164.2-174.266.30000111.5Q789 V793 N827 V862Q789-T791 HydrophobicContact CB-CG2 4.26Å; T791-V793 PolarHBondContact O-N 3.21Å; T791-N827 WeakPolarHBondContact CA-OD1 3.4Å; T791-N827 HydrophobicContact CG2-CB 4.45Å; T791-V862 PolarHBondContact N-O 2.84Å; T791-V862 PolarHBondContact O-N 2.59Å; T791-V862 PolarHBondContact OG1-O 2.82Å
792A94.4Very high83Confident59 Ų5946.2 Ų46.249%0.48829%0.285SS..EExtended strand (participates in β ladder)trans53.136.9-175.100000113.4Q794A792-Q794 PolarHBondContact O-N 2.96Å
793V96.1Very high83.6Confident2 Ų244.1 Ų44.11%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-71.2122.7-170.8-171.30000110.7L790 T791 L825 L828 Q860 F861L790-V793 HydrophobicContact CB-CG2 4.07Å; L790-V793 WeakPolarHBondContact O-CG2 3.22Å; T791-V793 PolarHBondContact O-N 3.21Å; V793-L825 HydrophobicContact CB-CB 4.07Å; V793-L825 HydrophobicContact CG1-CB 3.98Å; V793-L825 HydrophobicContact CG1-CD1 4.09Å; V793-L825 HydrophobicContact CG1-CG 4.49Å; V793-L825 PolarHBondContact O-N 3.13Å; V793-L828 HydrophobicContact CG1-CD1 4.15Å; V793-L828 HydrophobicContact CG2-CG 4.29Å; V793-Q860 CarbonylContact C-O 3.54Å; V793-Q860 VanDerWaalsContact CA-O 3.29Å; V793-Q860 WeakPolarHBondContact CA-O 3.39Å; V793-F861 HydrophobicContact CG2-CB 4.09Å
794Q96.3Very high84.7Confident55 Ų5542.5 Ų42.526%0.25725%0.254SS..EExtended strand (participates in β ladder)trans-131.2142.4179.8-64.9179.554.900110.7A792 L822 W823 K824 V859 Q860A792-Q794 PolarHBondContact O-N 2.96Å; Q794-L822 HydrophobicContact CB-CD1 3.81Å; Q794-L822 HydrophobicContact CG-CD1 3.95Å; Q794-L822 VanDerWaalsContact OE1-CD1 3.26Å; Q794-W823 VanDerWaalsContact CA-O 3.31Å; Q794-W823 WeakPolarHBondContact CA-O 3.27Å; Q794-K824 HydrophobicContact CG-CG 4.39Å; Q794-V859 CarbonylContact O-C 3.54Å; Q794-V859 WeakPolarHBondContact O-CA 3.23Å; Q794-Q860 HydrophobicContact CB-CB 4.37Å; Q794-Q860 PolarHBondContact N-O 3.42Å; Q794-Q860 PolarHBondContact O-N 3.06Å
795V97.3Very high85.8Confident2 Ų246.2 Ų46.21%0.01227%0.272CS..EExtended strand (participates in β ladder)trans-118.7133.7170.5-178.50000108.8L776 L822 W823 L825 L840 L857 V859L776-V795 HydrophobicContact CD2-CG1 3.59Å; L776-V795 HydrophobicContact CD2-CG2 4.13Å; V795-L822 WeakPolarHBondContact O-CA 3.41Å; V795-W823 HydrophobicContact CB-CB 4.37Å; V795-W823 HydrophobicContact CB-CE3 4.25Å; V795-W823 HydrophobicContact CG1-CE3 4.15Å; V795-W823 PolarHBondContact N-O 3.2Å; V795-W823 PolarHBondContact O-N 3.38Å; V795-L825 HydrophobicContact CG2-CD1 3.71Å; V795-L825 HydrophobicContact CG2-CG 4.35Å; V795-L840 HydrophobicContact CB-CD2 3.99Å; V795-L840 HydrophobicContact CG1-CD1 4.39Å; V795-L840 HydrophobicContact CG1-CD2 4.1Å; V795-L840 HydrophobicContact CG2-CD2 3.94Å; V795-L857 HydrophobicContact CG1-CB 4.41Å; V795-L857 HydrophobicContact CG1-CD2 3.99Å; V795-V859 HydrophobicContact CG1-CG2 4.44Å; V795-V859 HydrophobicContact CG2-CG1 4.3Å; V795-V859 HydrophobicContact CG2-CG2 4.14Å
796L96Very high87.1Confident10 Ų1049.2 Ų49.25%0.05229%0.287CS..EExtended strand (participates in β ladder)trans-123.8120.5-173.8-60.4174.7000109.8R820 L821 L822 L857 A858L796-R820 HydrophobicContact CD2-CG 4.4Å; L796-L821 VanDerWaalsContact CA-O 3.31Å; L796-L821 WeakPolarHBondContact CA-O 3.46Å; L796-L822 HydrophobicContact CD2-CB 3.97Å; L796-L822 HydrophobicContact CD2-CD1 3.63Å; L796-L822 HydrophobicContact CD2-CG 4.33Å; L796-L857 CarbonylContact O-C 3.51Å; L796-L857 WeakPolarHBondContact O-CA 3.4Å; L796-A858 HydrophobicContact CB-CB 4.23Å; L796-A858 PolarHBondContact N-O 2.86Å; L796-A858 PolarHBondContact O-N 2.94Å
797L95Very high88.4Confident0 Ų054 Ų540%031%0.307CS..EExtended strand (participates in β ladder)trans-114.3111.5172.8172.361.4000108.9V774 R820 L821 W823 A842 W844 P855 L857V774-L797 HydrophobicContact CB-CD2 4.43Å; V774-L797 HydrophobicContact CG1-CD2 4.47Å; L797-R820 CarbonylContact O-C 3.52Å; L797-R820 WeakPolarHBondContact O-CA 3.37Å; L797-L821 HydrophobicContact CB-CB 4.37Å; L797-L821 HydrophobicContact CD2-CD1 4.28Å; L797-L821 PolarHBondContact N-O 3.09Å; L797-L821 PolarHBondContact O-N 2.87Å; L797-W823 HydrophobicContact CB-CH2 4.23Å; L797-W823 HydrophobicContact CB-CZ3 3.74Å; L797-W823 HydrophobicContact CD2-CH2 4.07Å; L797-W823 HydrophobicContact CD2-CZ3 4.4Å; L797-A842 HydrophobicContact CD2-CB 4.12Å; L797-W844 HydrophobicContact CD2-CH2 4.08Å; L797-W844 HydrophobicContact CD2-CZ3 3.83Å; L797-P855 HydrophobicContact CD1-CB 3.79Å; L797-P855 HydrophobicContact CD1-CG 4.06Å; L797-L857 HydrophobicContact CB-CD2 4.16Å; L797-L857 HydrophobicContact CB-CG 4.5Å; L797-L857 HydrophobicContact CD1-CD2 4.42Å; L797-L857 HydrophobicContact CD1-CG 4.13Å
798P91.3Very high89.6Confident72 Ų7250.1 Ų50.147%0.46828%0.28SS..EExtended strand (participates in β ladder)trans-65137.4172.227.8-34.4000110.2S856P798-S856 WeakPolarHBondContact CD-O 3.31Å
799L87.3Confident90.1Very high21 Ų2155 Ų5511%0.1130%0.301CS..  trans-145.1149.5-178.3-176.764.2000108.4A803 L806 W814 R819 L821 W844L799-A803 HydrophobicContact CD1-CB 3.76Å; L799-A803 HydrophobicContact CD2-CB 3.86Å; L799-A803 HydrophobicContact CG-CB 3.78Å; L799-L806 HydrophobicContact CD2-CD1 4.25Å; L799-W814 HydrophobicContact CB-CH2 4.23Å; L799-W814 HydrophobicContact CB-CZ3 3.88Å; L799-W814 HydrophobicContact CD2-CZ3 4.41Å; L799-W814 WeakPolarHBondContact O-CH2 3.34Å; L799-R819 PolarHBondContact N-O 2.85Å; L799-L821 HydrophobicContact CD2-CD1 3.9Å; L799-L821 HydrophobicContact CD2-CG 4.26Å; L799-W844 HydrophobicContact CD1-CD2 3.58Å; L799-W844 HydrophobicContact CD1-CE3 4.18Å; L799-W844 HydrophobicContact CD1-CG 3.91Å; L799-W844 HydrophobicContact CD1-CH2 4.28Å; L799-W844 HydrophobicContact CD1-CZ2 3.7Å
800D80.3Confident90.5Very high65 Ų6553.6 Ų53.635%0.34830%0.299SS..  trans-88.9154.8176.6-17448.2000112.4T802 A803 R819D800-T802 PolarHBondContact O-N 3.03Å; D800-T802 VanDerWaalsContact O-N 3.12Å; D800-T802 WeakPolarHBondContact OD2-CB 3.21Å; D800-T802 VanDerWaalsContact OD2-CG2 3.28Å; D800-T802 WeakPolarHBondContact OD2-CG2 3.46Å; D800-T802 PolarHBondContact OD2-N 3.23Å; D800-T802 PolarHBondContact OD2-OG1 3.47Å; D800-A803 WeakPolarHBondContact O-CB 3.39Å; D800-A803 PolarHBondContact O-N 3.11Å; D800-A803 VanDerWaalsContact O-N 3.15Å; D800-R819 IonicContact OD1-NH1 2.77Å; D800-R819 PolarHBondContact OD1-NH1 2.81Å
801H72.9Confident90.5Very high119 Ų11959 Ų5955%0.55133%0.334SS*.THydrogen-bonded Turntrans-68-6.6178.561.645.4000114.2A803 R819H801-A803 VanDerWaalsContact C-N 3.31Å; H801-R819 PolarHBondContact CD2-NH1 2.88Å; H801-R819 PolarHBondContact CD2-NH2 3.34Å; H801-R819 PolarHBondContact NE2-NH1 2.69Å; H801-R819 VanDerWaalsContact NE2-NH1 3.14Å
802T78.4Confident90.5Very high58 Ų5858.2 Ų58.236%0.35633%0.332SS..THydrogen-bonded Turntrans-83.1-3.5172.654.90000113.7D800 L847D800-T802 PolarHBondContact O-N 3.03Å; D800-T802 VanDerWaalsContact O-N 3.12Å; D800-T802 WeakPolarHBondContact OD2-CB 3.21Å; D800-T802 VanDerWaalsContact OD2-CG2 3.28Å; D800-T802 WeakPolarHBondContact OD2-CG2 3.46Å; D800-T802 PolarHBondContact OD2-N 3.23Å; D800-T802 PolarHBondContact OD2-OG1 3.47Å; T802-L847 HydrophobicContact CG2-CD1 4.3Å
803A84.6Confident90.4Very high25 Ų2558.2 Ų58.221%0.20733%0.329CS..  trans-74.5125.5178.200000112.1L799 D800 H801 W844 Q845L799-A803 HydrophobicContact CD1-CB 3.76Å; L799-A803 HydrophobicContact CD2-CB 3.86Å; L799-A803 HydrophobicContact CG-CB 3.78Å; D800-A803 WeakPolarHBondContact O-CB 3.39Å; D800-A803 PolarHBondContact O-N 3.11Å; D800-A803 VanDerWaalsContact O-N 3.15Å; H801-A803 VanDerWaalsContact C-N 3.31Å; A803-W844 HydrophobicContact CB-CB 4.23Å; A803-W844 HydrophobicContact CB-CG 4.08Å; A803-Q845 WeakPolarHBondContact CA-O 3.42Å
804T86.4Confident90.1Very high61 Ų6163.5 Ų63.537%0.37435%0.349SS..EExtended strand (participates in β ladder)trans-109.3173.5174.464.20000110.9L806 W844 Q845T804-L806 PolarHBondContact O-N 3.41Å; T804-L806 VanDerWaalsContact O-N 3.07Å; T804-W844 WeakPolarHBondContact O-CB 3.47Å; T804-Q845 PolarHBondContact N-O 3.19Å; T804-Q845 PolarHBondContact O-N 2.92Å
805D89.8Confident89.7Confident107 Ų10763 Ų6357%0.57235%0.348SS*.EExtended strand (participates in β ladder)trans56.533.5168.3-50.8-70.1000114.2Q807 Q845D805-Q807 PolarHBondContact O-N 2.87Å; D805-Q845 HydrophobicContact CB-CB 4.22Å
806L92Very high89.1Confident74 Ų7466.2 Ų66.239%0.38738%0.375SS..EExtended strand (participates in β ladder)trans-66.4121.7-175.4177.167000112L799 T804 L821 A842 S843 W844L799-L806 HydrophobicContact CD2-CD1 4.25Å; T804-L806 PolarHBondContact O-N 3.41Å; T804-L806 VanDerWaalsContact O-N 3.07Å; L806-L821 HydrophobicContact CD1-CD1 3.85Å; L806-L821 HydrophobicContact CD2-CD1 4.28Å; L806-L821 HydrophobicContact CD2-CD2 3.58Å; L806-A842 HydrophobicContact CD1-CB 4.49Å; L806-S843 WeakPolarHBondContact CA-O 3.38Å; L806-W844 HydrophobicContact CD1-CB 4.14Å
807Q93.4Very high88.6Confident124 Ų12473.6 Ų73.658%0.57941%0.409SS*.EExtended strand (participates in β ladder)trans-118.2140171.1-57.3179.712.600109.1D805 A842 S843D805-Q807 PolarHBondContact O-N 2.87Å; Q807-A842 CarbonylContact O-C 3.57Å; Q807-A842 VanDerWaalsContact O-CA 3.26Å; Q807-A842 WeakPolarHBondContact O-CA 3.48Å; Q807-S843 PolarHBondContact N-O 3.4Å; Q807-S843 PolarHBondContact O-N 2.88Å
808C94.9Very high88.1Confident28 Ų2878.7 Ų78.719%0.18943%0.433CS..EExtended strand (participates in β ladder)trans-139.5132-179.4-73.20000110.5P810 A812 W823 C841C808-P810 CarbonylContact C-O 3.54Å; C808-P810 VanDerWaalsContact C-O 3.27Å; C808-P810 CarbonylContact O-C 3.53Å; C808-A812 HydrophobicContact CB-CB 3.98Å; C808-W823 HydrophobicContact CB-CZ2 4.42Å; C808-C841 WeakPolarHBondContact CA-O 3.29Å
809Q92Very high88Confident133 Ų13381.1 Ų81.162%0.62143%0.433SS*.EExtended strand (participates in β ladder)trans-134.9113.5176.6-63.4-177.82.100109.4L840 C841Q809-L840 CarbonylContact O-C 3.54Å; Q809-L840 WeakPolarHBondContact O-CA 3.45Å; Q809-C841 PolarHBondContact N-O 2.99Å; Q809-C841 PolarHBondContact O-N 2.89Å
810P94.4Very high88.2Confident62 Ų6283.1 Ų83.140%0.40344%0.439SS..SBendcis-61.7169.7-11.128.7-35.3000112.5C808 W823C808-P810 CarbonylContact C-O 3.54Å; C808-P810 VanDerWaalsContact C-O 3.27Å; C808-P810 CarbonylContact O-C 3.53Å; P810-W823 PolarHBondContact O-NE1 3.28Å
811P93.4Very high88.9Confident115 Ų11580.1 Ų80.175%0.74742%0.423SS*.  trans-55.6140.3178.6-27.136000113.4
812A93.6Very high90Very high30 Ų3075.6 Ų75.625%0.24840%0.403CS..  trans-110.9150.8177.200000111C808 L821 W823C808-A812 HydrophobicContact CB-CB 3.98Å; A812-L821 HydrophobicContact CB-CB 4.24Å; A812-L821 HydrophobicContact CB-CD2 4.15Å; A812-W823 HydrophobicContact CB-CD2 4.05Å; A812-W823 HydrophobicContact CB-CG 4.37Å; A812-W823 HydrophobicContact CB-CZ2 3.9Å
813S92.8Very high90.9Very high60 Ų6073 Ų7342%0.4239%0.387SS..EExtended strand (participates in β ladder)trans-91.3131.3166.155.90000110.3L822S813-L822 PolarHBondContact N-O 3.39Å; S813-L822 PolarHBondContact O-N 2.83Å; S813-L822 PolarHBondContact OG-O 2.88Å
814W90.6Very high91.4Very high112 Ų11279.5 Ų79.542%0.42441%0.41SS..EExtended strand (participates in β ladder)trans-83.7127.7172.3176.2-121.7000110.4L799 R819 R820 L821L799-W814 HydrophobicContact CB-CH2 4.23Å; L799-W814 HydrophobicContact CB-CZ3 3.88Å; L799-W814 HydrophobicContact CD2-CZ3 4.41Å; L799-W814 WeakPolarHBondContact O-CH2 3.34Å; W814-R819 VanDerWaalsContact CH2-C 3.41Å; W814-R819 HydrophobicContact CH2-CB 4.21Å; W814-R820 VanDerWaalsContact CE3-C 3.46Å; W814-R820 VanDerWaalsContact CZ3-C 3.43Å; W814-R820 VanDerWaalsContact CZ3-N 3.26Å; W814-L821 HydrophobicContact CB-CD2 4.36Å; W814-L821 HydrophobicContact CE3-CD2 3.8Å; W814-L821 HydrophobicContact CE3-CG 4.07Å; W814-L821 HydrophobicContact CZ3-CG 4.41Å
815N87.3Confident91.8Very high44 Ų4477.5 Ų77.524%0.23540%0.397CS..EExtended strand (participates in β ladder)trans-104.8114.8167.1-176.8-48.3000109.1E817 E818 R819 R820N815-E817 WeakPolarHBondContact OD1-CB 3.46Å; N815-E817 PolarHBondContact OD1-N 2.99Å; N815-E818 PolarHBondContact OD1-N 2.87Å; N815-R819 WeakPolarHBondContact O-CA 3.44Å; N815-R819 PolarHBondContact O-N 2.92Å; N815-R819 VanDerWaalsContact O-N 3.09Å; N815-R820 HydrophobicContact CB-CG 4.41Å; N815-R820 PolarHBondContact N-O 2.9Å; N815-R820 PolarHBondContact O-N 2.76Å; N815-R820 VanDerWaalsContact O-N 3.12Å
816A83.9Confident91.9Very high71 Ų7177 Ų7759%0.58740%0.399SS*.THydrogen-bonded Turntrans-78.9-28.1-176.900000114.1
817E85.8Confident91.9Very high165 Ų16577.2 Ų77.277%0.77140%0.401SS*.THydrogen-bonded Turntrans-69-45.4178.4-56.3173.3145.200110.4N815N815-E817 WeakPolarHBondContact OD1-CB 3.46Å; N815-E817 PolarHBondContact OD1-N 2.99Å
818E85Confident91.8Very high107 Ų10771.5 Ų71.550%0.538%0.375SS..THydrogen-bonded Turntrans-99.15.3-174.4-68.7-104.1-13700113.1N815 R820N815-E818 PolarHBondContact OD1-N 2.87Å; E818-R820 VanDerWaalsContact C-N 3.32Å; E818-R820 HydrophobicContact CB-CG 3.99Å; E818-R820 VanDerWaalsContact CB-CZ 3.47Å; E818-R820 PolarHBondContact O-N 2.92Å; E818-R820 IonicContact OE1-CZ 3.86Å; E818-R820 IonicContact OE1-NH1 3.42Å; E818-R820 PolarHBondContact OE1-NH1 3.01Å; E818-R820 IonicContact OE1-NH2 3.25Å; E818-R820 PolarHBondContact OE1-NH2 2.88Å; E818-R820 IonicContact OE2-CZ 3.69Å; E818-R820 IonicContact OE2-NH1 2.7Å; E818-R820 PolarHBondContact OE2-NH1 2.94Å; E818-R820 IonicContact OE2-NH2 2.76Å
819R89.1Confident91.3Very high122 Ų12270.8 Ų70.846%0.4637%0.37SS..THydrogen-bonded Turntrans43.352.5178.9-59.1-175-179.9-147.4-1.8113.1L799 D800 H801 W814 N815L799-R819 PolarHBondContact N-O 2.85Å; D800-R819 IonicContact OD1-NH1 2.77Å; D800-R819 PolarHBondContact OD1-NH1 2.81Å; H801-R819 PolarHBondContact CD2-NH1 2.88Å; H801-R819 PolarHBondContact CD2-NH2 3.34Å; H801-R819 PolarHBondContact NE2-NH1 2.69Å; H801-R819 VanDerWaalsContact NE2-NH1 3.14Å; W814-R819 VanDerWaalsContact CH2-C 3.41Å; W814-R819 HydrophobicContact CH2-CB 4.21Å; N815-R819 WeakPolarHBondContact O-CA 3.44Å; N815-R819 PolarHBondContact O-N 2.92Å; N815-R819 VanDerWaalsContact O-N 3.09Å
820R92Very high90.6Very high64 Ų6465 Ų6524%0.24234%0.344CS..EExtended strand (participates in β ladder)trans-145.9144.9-176.366.1-170.2-178.7-136.3-9.3113.6L796 L797 W814 N815 E818L796-R820 HydrophobicContact CD2-CG 4.4Å; L797-R820 CarbonylContact O-C 3.52Å; L797-R820 WeakPolarHBondContact O-CA 3.37Å; W814-R820 VanDerWaalsContact CE3-C 3.46Å; W814-R820 VanDerWaalsContact CZ3-C 3.43Å; W814-R820 VanDerWaalsContact CZ3-N 3.26Å; N815-R820 HydrophobicContact CB-CG 4.41Å; N815-R820 PolarHBondContact N-O 2.9Å; N815-R820 PolarHBondContact O-N 2.76Å; N815-R820 VanDerWaalsContact O-N 3.12Å; E818-R820 VanDerWaalsContact C-N 3.32Å; E818-R820 HydrophobicContact CB-CG 3.99Å; E818-R820 VanDerWaalsContact CB-CZ 3.47Å; E818-R820 PolarHBondContact O-N 2.92Å; E818-R820 IonicContact OE1-CZ 3.86Å; E818-R820 IonicContact OE1-NH1 3.42Å; E818-R820 PolarHBondContact OE1-NH1 3.01Å; E818-R820 IonicContact OE1-NH2 3.25Å; E818-R820 PolarHBondContact OE1-NH2 2.88Å; E818-R820 IonicContact OE2-CZ 3.69Å; E818-R820 IonicContact OE2-NH1 2.7Å; E818-R820 PolarHBondContact OE2-NH1 2.94Å; E818-R820 IonicContact OE2-NH2 2.76Å
821L94.5Very high89.7Confident1 Ų166.9 Ų66.91%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-77.6137.6164.7-64.7168.9000109.3L796 L797 L799 L806 A812 W814 W823 A842L796-L821 VanDerWaalsContact CA-O 3.31Å; L796-L821 WeakPolarHBondContact CA-O 3.46Å; L797-L821 HydrophobicContact CB-CB 4.37Å; L797-L821 HydrophobicContact CD2-CD1 4.28Å; L797-L821 PolarHBondContact N-O 3.09Å; L797-L821 PolarHBondContact O-N 2.87Å; L799-L821 HydrophobicContact CD2-CD1 3.9Å; L799-L821 HydrophobicContact CD2-CG 4.26Å; L806-L821 HydrophobicContact CD1-CD1 3.85Å; L806-L821 HydrophobicContact CD2-CD1 4.28Å; L806-L821 HydrophobicContact CD2-CD2 3.58Å; A812-L821 HydrophobicContact CB-CB 4.24Å; A812-L821 HydrophobicContact CB-CD2 4.15Å; W814-L821 HydrophobicContact CB-CD2 4.36Å; W814-L821 HydrophobicContact CE3-CD2 3.8Å; W814-L821 HydrophobicContact CE3-CG 4.07Å; W814-L821 HydrophobicContact CZ3-CG 4.41Å; L821-W823 HydrophobicContact CB-CH2 4.21Å; L821-W823 HydrophobicContact CB-CZ3 4.09Å; L821-W823 HydrophobicContact CD1-CH2 4.33Å; L821-A842 HydrophobicContact CD1-CB 4.15Å
822L95.8Very high88.6Confident25 Ų2565 Ų6513%0.13134%0.338CS..EExtended strand (participates in β ladder)trans-123.9119.1178.9163.762000109.7Q794 V795 L796 S813 K824Q794-L822 HydrophobicContact CB-CD1 3.81Å; Q794-L822 HydrophobicContact CG-CD1 3.95Å; Q794-L822 VanDerWaalsContact OE1-CD1 3.26Å; V795-L822 WeakPolarHBondContact O-CA 3.41Å; L796-L822 HydrophobicContact CD2-CB 3.97Å; L796-L822 HydrophobicContact CD2-CD1 3.63Å; L796-L822 HydrophobicContact CD2-CG 4.33Å; S813-L822 PolarHBondContact N-O 3.39Å; S813-L822 PolarHBondContact O-N 2.83Å; S813-L822 PolarHBondContact OG-O 2.88Å; L822-K824 HydrophobicContact CD1-CG 4.21Å; L822-K824 HydrophobicContact CD2-CG 4.47Å; L822-K824 HydrophobicContact CG-CG 4.31Å
823W97.1Very high87.2Confident4 Ų470.4 Ų70.42%0.01536%0.357CS..EExtended strand (participates in β ladder)trans-98.1132.4160.4-64.9-90.7000109.5Q794 V795 L797 C808 P810 A812 L821 L825 L840 A842Q794-W823 VanDerWaalsContact CA-O 3.31Å; Q794-W823 WeakPolarHBondContact CA-O 3.27Å; V795-W823 HydrophobicContact CB-CB 4.37Å; V795-W823 HydrophobicContact CB-CE3 4.25Å; V795-W823 HydrophobicContact CG1-CE3 4.15Å; V795-W823 PolarHBondContact N-O 3.2Å; V795-W823 PolarHBondContact O-N 3.38Å; L797-W823 HydrophobicContact CB-CH2 4.23Å; L797-W823 HydrophobicContact CB-CZ3 3.74Å; L797-W823 HydrophobicContact CD2-CH2 4.07Å; L797-W823 HydrophobicContact CD2-CZ3 4.4Å; C808-W823 HydrophobicContact CB-CZ2 4.42Å; P810-W823 PolarHBondContact O-NE1 3.28Å; A812-W823 HydrophobicContact CB-CD2 4.05Å; A812-W823 HydrophobicContact CB-CG 4.37Å; A812-W823 HydrophobicContact CB-CZ2 3.9Å; L821-W823 HydrophobicContact CB-CH2 4.21Å; L821-W823 HydrophobicContact CB-CZ3 4.09Å; L821-W823 HydrophobicContact CD1-CH2 4.33Å; W823-L825 HydrophobicContact CB-CD2 4.41Å; W823-L840 HydrophobicContact CB-CD2 4.29Å; W823-L840 HydrophobicContact CD2-CD1 4.03Å; W823-L840 HydrophobicContact CD2-CD2 4.1Å; W823-L840 HydrophobicContact CE3-CD1 4Å; W823-L840 HydrophobicContact CE3-CD2 4.4Å; W823-L840 HydrophobicContact CG-CD2 4.07Å; W823-L840 HydrophobicContact CH2-CD1 4.02Å; W823-L840 HydrophobicContact CZ2-CD1 4.04Å; W823-L840 HydrophobicContact CZ3-CD1 3.99Å; W823-A842 HydrophobicContact CH2-CB 3.87Å; W823-A842 HydrophobicContact CZ2-CB 3.97Å
824K95.9Very high86.1Confident160 Ų16072.6 Ų72.670%0.69637%0.373SS*.EExtended strand (participates in β ladder)trans-100114.4166.6-64.3180-178.91780107.4Q794 L822Q794-K824 HydrophobicContact CG-CG 4.39Å; L822-K824 HydrophobicContact CD1-CG 4.21Å; L822-K824 HydrophobicContact CD2-CG 4.47Å; L822-K824 HydrophobicContact CG-CG 4.31Å
825L94.1Very high85.3Confident19 Ų1973.9 Ų73.910%0.09938%0.382CS..PPolyproline II helixtrans-93.7152-178.9-61.4-177.5000110.3Y778 V793 V795 W823 L840Y778-L825 HydrophobicContact CD1-CD1 4.2Å; Y778-L825 HydrophobicContact CE1-CD1 3.77Å; Y778-L825 HydrophobicContact CE1-CD2 4.44Å; Y778-L825 HydrophobicContact CE2-CD1 4.17Å; V793-L825 HydrophobicContact CB-CB 4.07Å; V793-L825 HydrophobicContact CG1-CB 3.98Å; V793-L825 HydrophobicContact CG1-CD1 4.09Å; V793-L825 HydrophobicContact CG1-CG 4.49Å; V793-L825 PolarHBondContact O-N 3.13Å; V795-L825 HydrophobicContact CG2-CD1 3.71Å; V795-L825 HydrophobicContact CG2-CG 4.35Å; W823-L825 HydrophobicContact CB-CD2 4.41Å; L825-L840 HydrophobicContact CD2-CD2 4.33Å
826P92.3Very high85Confident96 Ų9671.9 Ų71.962%0.62337%0.371SS*.PPolyproline II helixtrans-63.5161.1170.629.3-36000111.1L828P826-L828 PolarHBondContact O-N 2.92Å
827N92.4Very high85.3Confident80 Ų8070.7 Ų70.743%0.42836%0.359SS..PPolyproline II helixtrans-57.2122.9176.1-66.7-12.7000110.5L790 T791L790-N827 CarbonylContact O-C 3.59Å; L790-N827 WeakPolarHBondContact O-CA 3.49Å; T791-N827 WeakPolarHBondContact CA-OD1 3.4Å; T791-N827 HydrophobicContact CG2-CB 4.45Å
828L90.4Very high85.6Confident4 Ų464.1 Ų64.12%0.02134%0.335CS..BIsolated β-bridgetrans-88.2136.6-177.7-56.9178.9000110.2L759 Y778 C780 Q789 L790 V793 P826 K835L759-L828 HydrophobicContact CD1-CD1 3.65Å; L759-L828 HydrophobicContact CD2-CD1 4.22Å; Y778-L828 HydrophobicContact CD2-CD1 3.89Å; Y778-L828 HydrophobicContact CD2-CD2 4.42Å; Y778-L828 HydrophobicContact CE2-CD1 4.07Å; Y778-L828 HydrophobicContact CE2-CD2 3.81Å; C780-L828 HydrophobicContact CB-CB 4.21Å; Q789-L828 WeakPolarHBondContact CA-O 3.29Å; L790-L828 HydrophobicContact CB-CB 4.31Å; L790-L828 PolarHBondContact N-O 3.46Å; L790-L828 PolarHBondContact O-N 2.79Å; V793-L828 HydrophobicContact CG1-CD1 4.15Å; V793-L828 HydrophobicContact CG2-CG 4.29Å; P826-L828 PolarHBondContact O-N 2.92Å; L828-K835 WeakPolarHBondContact CA-O 3.43Å
829S85Confident86.1Confident12 Ų1263 Ų638%0.08434%0.335CS..  trans-127.8128.4-178.2-168.30000112.1T831 K835 G836S829-T831 PolarHBondContact O-N 2.86Å; S829-T831 PolarHBondContact OG-OG1 2.97Å; S829-K835 PolarHBondContact N-O 2.86Å; S829-G836 WeakPolarHBondContact O-CA 3.22Å
830P77.9Confident86.4Confident12 Ų1257.3 Ų57.38%0.07831%0.314CS..THydrogen-bonded Turntrans-69.5-15179.325.5-32.3000114P782 A785 T788 N832P782-P830 WeakPolarHBondContact CG-O 3.39Å; A785-P830 HydrophobicContact CB-CB 3.94Å; A785-P830 HydrophobicContact CB-CG 4.05Å; T788-P830 WeakPolarHBondContact O-CD 3.27Å; P830-N832 VanDerWaalsContact C-N 3.3Å; P830-N832 PolarHBondContact O-N 2.93Å
831T74.1Confident86.6Confident101 Ų10155 Ų5562%0.6231%0.308SS*.THydrogen-bonded Turntrans-80.5-8.5-175.757.60000114.1S829S829-T831 PolarHBondContact O-N 2.86Å; S829-T831 PolarHBondContact OG-OG1 2.97Å
832N71.1Confident86.6Confident76 Ų7655 Ų5541%0.40631%0.308SS..  trans-138.8108.4-173.5-75-88.9000110.1P830 S834 K835 G836P830-N832 VanDerWaalsContact C-N 3.3Å; P830-N832 PolarHBondContact O-N 2.93Å; N832-S834 PolarHBondContact O-N 3.09Å; N832-S834 VanDerWaalsContact O-N 3.09Å; N832-K835 HydrophobicContact CB-CB 4.02Å; N832-K835 HydrophobicContact CB-CG 4.33Å; N832-K835 CarbonylContact O-C 3.57Å; N832-K835 PolarHBondContact O-N 3.23Å; N832-G836 PolarHBondContact O-N 2.99Å
833H64.2Low86.5Confident143 Ų14355 Ų5566%0.66231%0.31SS*.Hα-helixtrans-52.7-37-177-67.7-76.7000113.8S837H833-S837 WeakPolarHBondContact O-CB 3.42Å; H833-S837 PolarHBondContact O-N 2.92Å; H833-S837 PolarHBondContact O-OG 2.81Å
834S69.3Low86.4Confident107 Ų10755.5 Ų55.575%0.74831%0.312SS*.Hα-helixtrans-77.8-10.3177.554.50000115.4N832N832-S834 PolarHBondContact O-N 3.09Å; N832-S834 VanDerWaalsContact O-N 3.09Å
835K73.8Confident86.1Confident139 Ų13951.6 Ų51.660%0.60430%0.296SS*.Hα-helixtrans-116.6-4173.5-60.4-173.9177.1-177.40113.2L828 S829 N832L828-K835 WeakPolarHBondContact CA-O 3.43Å; S829-K835 PolarHBondContact N-O 2.86Å; N832-K835 HydrophobicContact CB-CB 4.02Å; N832-K835 HydrophobicContact CB-CG 4.33Å; N832-K835 CarbonylContact O-C 3.57Å; N832-K835 PolarHBondContact O-N 3.23Å
836G80.8Confident85.7Confident1 Ų151.6 Ų51.61%0.0130%0.298CS..Hα-helixtrans-98.3-16.9173.800000113.8C780 S829 N832C780-G836 VanDerWaalsContact CB-O 3.27Å; C780-G836 WeakPolarHBondContact CB-O 3.44Å; C780-G836 PolarHBondContact N-O 3.26Å; S829-G836 WeakPolarHBondContact O-CA 3.22Å; N832-G836 PolarHBondContact O-N 2.99Å
837S90.4Very high85.1Confident47 Ų4753.5 Ų53.533%0.32930%0.302SS..EExtended strand (participates in β ladder)trans-127.8153.3-169.5-29.80000112.1Y778 H779 H833Y778-S837 VanDerWaalsContact O-CA 3.31Å; Y778-S837 WeakPolarHBondContact O-CA 3.37Å; H779-S837 PolarHBondContact ND1-OG 2.62Å; H833-S837 WeakPolarHBondContact O-CB 3.42Å; H833-S837 PolarHBondContact O-N 2.92Å; H833-S837 PolarHBondContact O-OG 2.81Å
838G92.8Very high84.4Confident27 Ų2757 Ų5728%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-177.8-179.9171.100000112.9Y778Y778-G838 WeakPolarHBondContact CD1-O 3.36Å; Y778-G838 VanDerWaalsContact CE1-C 3.48Å; Y778-G838 PolarHBondContact N-O 2.93Å; Y778-G838 PolarHBondContact O-N 3.37Å
839T94.4Very high83.7Confident82 Ų8258.9 Ų58.950%0.50333%0.332SS..EExtended strand (participates in β ladder)trans-132.9151.5176.8-168.30000109.7L776 D777L776-T839 WeakPolarHBondContact O-CA 3.4Å; D777-T839 WeakPolarHBondContact OD1-CB 3.49Å; D777-T839 PolarHBondContact OD1-OG1 2.9Å
840L95.8Very high83.1Confident3 Ų360.1 Ų60.12%0.01634%0.339CS..EExtended strand (participates in β ladder)trans-140.8148.6167.861.686.1000109.8S775 L776 Y778 V795 Q809 W823 L825 L857S775-L840 CarbonylContact C-O 3.27Å; S775-L840 VanDerWaalsContact CA-O 3.32Å; S775-L840 WeakPolarHBondContact CA-O 3.38Å; L776-L840 HydrophobicContact CB-CD1 3.91Å; L776-L840 HydrophobicContact CB-CG 4.17Å; L776-L840 HydrophobicContact CD2-CD1 4.45Å; L776-L840 HydrophobicContact CD2-CD2 4.46Å; L776-L840 HydrophobicContact CD2-CG 4.49Å; L776-L840 PolarHBondContact N-O 3.12Å; L776-L840 PolarHBondContact O-N 2.85Å; Y778-L840 HydrophobicContact CE1-CD2 4.39Å; V795-L840 HydrophobicContact CB-CD2 3.99Å; V795-L840 HydrophobicContact CG1-CD1 4.39Å; V795-L840 HydrophobicContact CG1-CD2 4.1Å; V795-L840 HydrophobicContact CG2-CD2 3.94Å; Q809-L840 CarbonylContact O-C 3.54Å; Q809-L840 WeakPolarHBondContact O-CA 3.45Å; W823-L840 HydrophobicContact CB-CD2 4.29Å; W823-L840 HydrophobicContact CD2-CD1 4.03Å; W823-L840 HydrophobicContact CD2-CD2 4.1Å; W823-L840 HydrophobicContact CE3-CD1 4Å; W823-L840 HydrophobicContact CE3-CD2 4.4Å; W823-L840 HydrophobicContact CG-CD2 4.07Å; W823-L840 HydrophobicContact CH2-CD1 4.02Å; W823-L840 HydrophobicContact CZ2-CD1 4.04Å; W823-L840 HydrophobicContact CZ3-CD1 3.99Å; L825-L840 HydrophobicContact CD2-CD2 4.33Å; L840-L857 HydrophobicContact CD1-CD2 4.36Å
841C95.4Very high82.8Confident15 Ų1568 Ų6810%0.10138%0.375CS..EExtended strand (participates in β ladder)trans-141.6153.4171.672.30000113.2V774 C808 Q809V774-C841 CarbonylContact O-C 3.57Å; V774-C841 WeakPolarHBondContact O-CA 3.42Å; V774-C841 WeakPolarHBondContact O-CB 3.44Å; C808-C841 WeakPolarHBondContact CA-O 3.29Å; Q809-C841 PolarHBondContact N-O 2.99Å; Q809-C841 PolarHBondContact O-N 2.89Å
842A95.9Very high82.9Confident1 Ų165.2 Ų65.21%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-128148.4166.600000109.9R773 V774 L797 L806 Q807 L821 W823 W844R773-A842 CarbonylContact C-O 3.56Å; R773-A842 WeakPolarHBondContact CA-O 3.31Å; V774-A842 PolarHBondContact N-O 3.14Å; V774-A842 PolarHBondContact O-N 2.97Å; L797-A842 HydrophobicContact CD2-CB 4.12Å; L806-A842 HydrophobicContact CD1-CB 4.49Å; Q807-A842 CarbonylContact O-C 3.57Å; Q807-A842 VanDerWaalsContact O-CA 3.26Å; Q807-A842 WeakPolarHBondContact O-CA 3.48Å; L821-A842 HydrophobicContact CD1-CB 4.15Å; W823-A842 HydrophobicContact CH2-CB 3.87Å; W823-A842 HydrophobicContact CZ2-CB 3.97Å; A842-W844 HydrophobicContact CB-CE3 4.26Å; A842-W844 HydrophobicContact CB-CZ3 4.09Å
843S94.1Very high83.5Confident25 Ų2567 Ų6718%0.17538%0.381CS..EExtended strand (participates in β ladder)trans-138.6144.116851.90000110.6T772 L806 Q807T772-S843 CarbonylContact O-C 3.48Å; T772-S843 WeakPolarHBondContact O-CA 3.27Å; L806-S843 WeakPolarHBondContact CA-O 3.38Å; Q807-S843 PolarHBondContact N-O 3.4Å; Q807-S843 PolarHBondContact O-N 2.88Å
844W93.4Very high84.5Confident16 Ų1661.9 Ų61.96%0.06136%0.361CS..EExtended strand (participates in β ladder)trans-151.1163.1-177.662.189.4000109.8V771 T772 V774 L797 L799 A803 T804 L806 A842 C846V771-W844 WeakPolarHBondContact CA-O 3.23Å; T772-W844 HydrophobicContact CG2-CH2 3.9Å; T772-W844 HydrophobicContact CG2-CZ2 3.53Å; T772-W844 PolarHBondContact N-O 2.89Å; T772-W844 PolarHBondContact O-N 2.93Å; V774-W844 HydrophobicContact CB-CH2 4.29Å; V774-W844 HydrophobicContact CB-CZ3 4.33Å; V774-W844 HydrophobicContact CG2-CH2 3.64Å; V774-W844 HydrophobicContact CG2-CZ3 4.15Å; L797-W844 HydrophobicContact CD2-CH2 4.08Å; L797-W844 HydrophobicContact CD2-CZ3 3.83Å; L799-W844 HydrophobicContact CD1-CD2 3.58Å; L799-W844 HydrophobicContact CD1-CE3 4.18Å; L799-W844 HydrophobicContact CD1-CG 3.91Å; L799-W844 HydrophobicContact CD1-CH2 4.28Å; L799-W844 HydrophobicContact CD1-CZ2 3.7Å; A803-W844 HydrophobicContact CB-CB 4.23Å; A803-W844 HydrophobicContact CB-CG 4.08Å; T804-W844 WeakPolarHBondContact O-CB 3.47Å; L806-W844 HydrophobicContact CD1-CB 4.14Å; A842-W844 HydrophobicContact CB-CE3 4.26Å; A842-W844 HydrophobicContact CB-CZ3 4.09Å; W844-C846 PolarHBondContact NE1-SG 3.34Å
845Q90.6Very high85.4Confident77 Ų7758 Ų5836%0.3633%0.333SS..EExtended strand (participates in β ladder)trans-103.5143.2172.9-172.5163.6-43.200110.4V771 A803 T804 D805V771-Q845 HydrophobicContact CG2-CB 4.49Å; V771-Q845 HydrophobicContact CG2-CG 4.42Å; A803-Q845 WeakPolarHBondContact CA-O 3.42Å; T804-Q845 PolarHBondContact N-O 3.19Å; T804-Q845 PolarHBondContact O-N 2.92Å; D805-Q845 HydrophobicContact CB-CB 4.22Å
846C84.8Confident86.2Confident20 Ų2053.1 Ų53.114%0.13532%0.316CS..  trans-108.9152173-66.40000110.3T770 W844 E848T770-C846 VanDerWaalsContact CB-O 3.31Å; T770-C846 WeakPolarHBondContact CB-O 3.45Å; T770-C846 WeakPolarHBondContact CG2-O 3.21Å; T770-C846 PolarHBondContact O-N 2.88Å; W844-C846 PolarHBondContact NE1-SG 3.34Å; C846-E848 VanDerWaalsContact C-N 3.27Å; C846-E848 WeakPolarHBondContact CB-O 3.34Å; C846-E848 PolarHBondContact O-N 3.36Å
847L80.1Confident86.9Confident135 Ų13553 Ų5371%0.70732%0.316SS*.SBendtrans-63.2-33.2175.5-67.8170.6000112.6T802T802-L847 HydrophobicContact CG2-CD1 4.3Å
848E77.8Confident87.2Confident155 Ų15551.9 Ų51.972%0.72431%0.309SS*.SBendtrans-126.8160.3174.6-64.5-174.5167.200110.1C846 P850C846-E848 VanDerWaalsContact C-N 3.27Å; C846-E848 WeakPolarHBondContact CB-O 3.34Å; C846-E848 PolarHBondContact O-N 3.36Å; E848-P850 WeakPolarHBondContact O-CD 3.48Å
849A74.8Confident87.4Confident43 Ų4350.8 Ų50.836%0.35530%0.297SS..  trans-66.4124.5176.200000110.3H851A849-H851 PolarHBondContact O-CD2 3.25Å; A849-H851 PolarHBondContact O-N 3.17Å
850P73Confident87.5Confident38 Ų3850.7 Ų50.725%0.24729%0.291CS..  trans-72100.1-171.824.3-31.7000112.4R767 T772 E848 G852R767-P850 PolarHBondContact NH1-O 3.48Å; T772-P850 WeakPolarHBondContact OG1-CG 3.31Å; E848-P850 WeakPolarHBondContact O-CD 3.48Å; P850-G852 VanDerWaalsContact C-N 3.29Å; P850-G852 PolarHBondContact O-N 3.14Å
851H71.9Confident87.5Confident178 Ų17850.7 Ų50.782%0.82429%0.291SS*.  trans-75.1-10.2177.7-66-66.5000114.8A849A849-H851 PolarHBondContact O-CD2 3.25Å; A849-H851 PolarHBondContact O-N 3.17Å
852G76.4Confident87.6Confident41 Ų4153.2 Ų53.242%0.42331%0.305SS..SBendtrans-74.3171.4177.600000113.9R767 P850R767-G852 PolarHBondContact NH1-O 3.29Å; R767-G852 PolarHBondContact NH2-O 3.04Å; P850-G852 VanDerWaalsContact C-N 3.29Å; P850-G852 PolarHBondContact O-N 3.14Å
853P83.7Confident87.4Confident113 Ų11353.2 Ų53.273%0.73431%0.306SS*.PPolyproline II helixtrans-56.9163.3172.926.6-35.5000112R767R767-P853 PolarHBondContact NH2-O 2.96Å
854P85.1Confident87.3Confident36 Ų3655.4 Ų55.423%0.23432%0.321CS..PPolyproline II helixtrans-59.7148168.823.3-30000110.8C765 C898 L900C765-P854 HydrophobicContact CB-CB 4.17Å; P854-C898 HydrophobicContact CB-CB 4.07Å; P854-C898 WeakPolarHBondContact CG-O 3.4Å; P854-L900 HydrophobicContact CB-CD1 4.42Å; P854-L900 HydrophobicContact CB-CD2 4.36Å; P854-L900 HydrophobicContact CB-CG 4.01Å; P854-L900 HydrophobicContact CG-CD1 4.28Å; P854-L900 HydrophobicContact CG-CG 4.11Å
855P88.6Confident87Confident25 Ų2557.6 Ų57.616%0.16235%0.348CS..PPolyproline II helixtrans-64160.7173.529.5-34.7000110.7V774 L797 C898V774-P855 HydrophobicContact CG2-CG 3.67Å; L797-P855 HydrophobicContact CD1-CB 3.79Å; L797-P855 HydrophobicContact CD1-CG 4.06Å; P855-C898 PolarHBondContact O-SG 3.33Å
856S91.2Very high87Confident37 Ų3755.1 Ų55.126%0.25934%0.339SS..EExtended strand (participates in β ladder)trans-121.2131.2171.2-61.10000109.2P798 A896P798-S856 WeakPolarHBondContact CD-O 3.31Å; S856-A896 CarbonylContact C-O 3.58Å; S856-A896 VanDerWaalsContact CA-O 3.23Å; S856-A896 WeakPolarHBondContact CA-O 3.48Å
857L94.9Very high87.4Confident0 Ų054.8 Ų54.80%034%0.337CS..EExtended strand (participates in β ladder)trans-84.5138.2176.6-56.298.5000109.4A763 V774 L776 V795 L796 L797 L840 M895 A896A763-L857 HydrophobicContact CB-CD1 3.82Å; V774-L857 HydrophobicContact CG1-CD1 3.88Å; V774-L857 HydrophobicContact CG1-CD2 4.38Å; L776-L857 HydrophobicContact CB-CD1 4.42Å; L776-L857 HydrophobicContact CB-CD2 4Å; L776-L857 HydrophobicContact CD1-CD1 4.38Å; L776-L857 HydrophobicContact CD2-CD2 4.16Å; V795-L857 HydrophobicContact CG1-CB 4.41Å; V795-L857 HydrophobicContact CG1-CD2 3.99Å; L796-L857 CarbonylContact O-C 3.51Å; L796-L857 WeakPolarHBondContact O-CA 3.4Å; L797-L857 HydrophobicContact CB-CD2 4.16Å; L797-L857 HydrophobicContact CB-CG 4.5Å; L797-L857 HydrophobicContact CD1-CD2 4.42Å; L797-L857 HydrophobicContact CD1-CG 4.13Å; L840-L857 HydrophobicContact CD1-CD2 4.36Å; L857-M895 CarbonylContact O-C 3.59Å; L857-M895 VanDerWaalsContact O-CA 3.29Å; L857-M895 WeakPolarHBondContact O-CA 3.17Å; L857-A896 PolarHBondContact N-O 3.07Å; L857-A896 PolarHBondContact O-N 2.89Å
858A96.3Very high88Confident23 Ų2349.3 Ų49.319%0.1931%0.308CS..EExtended strand (participates in β ladder)trans-99.7144.8167.600000109.6L796 Y894 M895L796-A858 HydrophobicContact CB-CB 4.23Å; L796-A858 PolarHBondContact N-O 2.86Å; L796-A858 PolarHBondContact O-N 2.94Å; A858-Y894 CarbonylContact C-O 3.6Å; A858-Y894 WeakPolarHBondContact CA-O 3.49Å; A858-M895 HydrophobicContact CB-CE 3.91Å; A858-M895 HydrophobicContact CB-SD 3.48Å; A858-M895 WeakPolarHBondContact CB-SD 3.2Å
859V97.2Very high88.7Confident3 Ų342 Ų422%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-124140.5176.3-174.50000108.9L759 L761 L776 Q794 V795 F861 Y894L759-V859 HydrophobicContact CD2-CG1 3.84Å; L761-V859 HydrophobicContact CD1-CB 4.28Å; L761-V859 HydrophobicContact CD1-CG2 3.57Å; L761-V859 HydrophobicContact CD2-CG2 4.04Å; L761-V859 HydrophobicContact CG-CG2 4.49Å; L776-V859 HydrophobicContact CD2-CG2 4.37Å; Q794-V859 CarbonylContact O-C 3.54Å; Q794-V859 WeakPolarHBondContact O-CA 3.23Å; V795-V859 HydrophobicContact CG1-CG2 4.44Å; V795-V859 HydrophobicContact CG2-CG1 4.3Å; V795-V859 HydrophobicContact CG2-CG2 4.14Å; V859-F861 HydrophobicContact CG1-CD1 4.31Å; V859-Y894 HydrophobicContact CB-CD1 4.22Å; V859-Y894 PolarHBondContact N-O 2.93Å; V859-Y894 WeakPolarHBondContact O-CB 3.5Å
860Q97.2Very high89.5Confident81 Ų8141 Ų4138%0.37927%0.268SS..EExtended strand (participates in β ladder)trans-125140.1176.6-62.8-178.9-10.700110.2V793 Q794 T891V793-Q860 CarbonylContact C-O 3.54Å; V793-Q860 VanDerWaalsContact CA-O 3.29Å; V793-Q860 WeakPolarHBondContact CA-O 3.39Å; Q794-Q860 HydrophobicContact CB-CB 4.37Å; Q794-Q860 PolarHBondContact N-O 3.42Å; Q794-Q860 PolarHBondContact O-N 3.06Å; Q860-T891 VanDerWaalsContact CA-OG1 3.27Å; Q860-T891 WeakPolarHBondContact CA-OG1 3.45Å
861F96Very high90.6Very high2 Ų239.2 Ų39.21%0.00926%0.257CS..EExtended strand (participates in β ladder)trans-159.8160.4172.857.8-103.1000111.7I641 P758 L759 L790 V793 V859 F889 A890 T891 Y894I641-F861 HydrophobicContact CG2-CE2 4.14Å; I641-F861 HydrophobicContact CG2-CZ 4.11Å; P758-F861 HydrophobicContact CG-CE2 3.95Å; P758-F861 HydrophobicContact CG-CZ 3.69Å; L759-F861 HydrophobicContact CB-CE1 4Å; L759-F861 HydrophobicContact CD2-CD1 3.87Å; L759-F861 HydrophobicContact CD2-CE1 3.96Å; L790-F861 HydrophobicContact CB-CB 4.32Å; L790-F861 HydrophobicContact CD1-CD2 4.45Å; L790-F861 HydrophobicContact CD1-CG 4.41Å; L790-F861 HydrophobicContact CD2-CD2 3.9Å; L790-F861 HydrophobicContact CD2-CE2 4.12Å; V793-F861 HydrophobicContact CG2-CB 4.09Å; V859-F861 HydrophobicContact CG1-CD1 4.31Å; F861-F889 HydrophobicContact CD2-CE2 4.15Å; F861-F889 HydrophobicContact CE2-CD2 4.25Å; F861-F889 AromaticContact CE2-CE2 3.98Å; F861-F889 HydrophobicContact CE2-CE2 3.98Å; F861-A890 WeakPolarHBondContact O-CA 3.44Å; F861-T891 HydrophobicContact CB-CG2 4.46Å; F861-T891 HydrophobicContact CD1-CG2 3.39Å; F861-T891 HydrophobicContact CD2-CG2 3.83Å; F861-T891 HydrophobicContact CE1-CG2 3.35Å; F861-T891 HydrophobicContact CE2-CG2 3.79Å; F861-T891 HydrophobicContact CG-CG2 3.63Å; F861-T891 HydrophobicContact CZ-CG2 3.55Å; F861-T891 PolarHBondContact N-OG1 3.21Å; F861-T891 VanDerWaalsContact N-OG1 3.08Å; F861-T891 PolarHBondContact O-N 2.54Å; F861-T891 PolarHBondContact O-OG1 2.94Å; F861-Y894 HydrophobicContact CE1-CD1 4.22Å; F861-Y894 HydrophobicContact CE1-CD2 4.11Å; F861-Y894 AromaticContact CE1-CE1 4Å; F861-Y894 HydrophobicContact CE1-CE1 4Å; F861-Y894 AromaticContact CE1-CE2 3.89Å; F861-Y894 HydrophobicContact CE1-CE2 3.89Å; F861-Y894 HydrophobicContact CE1-CG 4.26Å; F861-Y894 AromaticContact CE1-CZ 3.81Å; F861-Y894 HydrophobicContact CZ-CD2 4.04Å; F861-Y894 AromaticContact CZ-CE2 3.65Å; F861-Y894 HydrophobicContact CZ-CE2 3.65Å; F861-Y894 AromaticContact CZ-CZ 3.92Å
862V95.9Very high91.7Very high68 Ų6833.2 Ų33.241%0.41223%0.23SC..EExtended strand (participates in β ladder)trans-130.5142176.4-178.60000110T791 F889 A890T791-V862 PolarHBondContact N-O 2.84Å; T791-V862 PolarHBondContact O-N 2.59Å; T791-V862 PolarHBondContact OG1-O 2.82Å; V862-F889 WeakPolarHBondContact CA-O 3.48Å; V862-A890 HydrophobicContact CG2-CB 4.29Å
863G92.3Very high92.7Very high1 Ų131.6 Ų31.61%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-137.1160174.700000112.9R888 F889G863-R888 WeakPolarHBondContact O-CA 3.26Å; G863-F889 PolarHBondContact N-O 3.05Å; G863-F889 PolarHBondContact O-N 2.97Å
864S91.9Very high93.2Very high72 Ų7230.5 Ų30.550%0.50320%0.197SC..EExtended strand (participates in β ladder)trans-144.9163.3-174.565.20000112.8T788 T866T788-S864 VanDerWaalsContact CB-O 3.28Å; T788-S864 WeakPolarHBondContact CB-O 3.34Å; T788-S864 WeakPolarHBondContact CG2-O 3.39Å; T788-S864 PolarHBondContact OG1-O 2.91Å; S864-T866 PolarHBondContact O-N 2.89Å
865G88.1Confident93.8Very high61 Ų6130.4 Ų30.463%0.62920%0.195SC*.SBendtrans79.7-9.7-18000000114.9K887G865-K887 PolarHBondContact N-O 3.2Å
866T90.7Very high94.1Very high26 Ų2631.6 Ų31.616%0.1620%0.202CC..SBendtrans-141.9167.3-174.9520000111.9P786 T788 S864 K887P786-T866 HydrophobicContact CB-CG2 4.01Å; P786-T866 WeakPolarHBondContact CB-OG1 3.46Å; P786-T866 WeakPolarHBondContact CG-OG1 3.34Å; T788-T866 VanDerWaalsContact CG2-OG1 3.24Å; T788-T866 WeakPolarHBondContact CG2-OG1 3.36Å; S864-T866 PolarHBondContact O-N 2.89Å; T866-K887 WeakPolarHBondContact O-CB 3.4Å
867S92.9Very high94.1Very high13 Ų1332.6 Ų32.69%0.09122%0.218CC..  trans-114.4145.6172154.70000109E639 S869 G870 M871E639-S867 VanDerWaalsContact CD-OG 3.26Å; E639-S867 PolarHBondContact OE1-OG 2.82Å; E639-S867 PolarHBondContact OE2-OG 3.19Å; S867-S869 PolarHBondContact OG-N 2.96Å; S867-S869 PolarHBondContact OG-OG 2.79Å; S867-G870 PolarHBondContact OG-N 3.43Å; S867-M871 PolarHBondContact OG-N 2.81Å
868L92.7Very high93.9Very high19 Ų1938.2 Ų38.210%0.09925%0.252CS..SBendtrans-79.8-35.1173.3-60.5173.5000111.8E639 I641 I657 P758 P786 G870 F889E639-L868 WeakPolarHBondContact OE2-CA 3.39Å; E639-L868 WeakPolarHBondContact OE2-CB 3.43Å; E639-L868 PolarHBondContact OE2-N 3.37Å; I641-L868 HydrophobicContact CB-CD1 3.69Å; I641-L868 HydrophobicContact CD1-CD1 4Å; I641-L868 HydrophobicContact CG1-CD1 4.44Å; I641-L868 HydrophobicContact CG2-CD1 3.63Å; I657-L868 HydrophobicContact CD1-CB 3.74Å; I657-L868 HydrophobicContact CG1-CB 4.46Å; P758-L868 HydrophobicContact CB-CD2 4.02Å; P758-L868 HydrophobicContact CG-CD2 3.89Å; P786-L868 HydrophobicContact CG-CD2 3.91Å; L868-G870 VanDerWaalsContact C-N 3.29Å; L868-F889 HydrophobicContact CD1-CB 3.81Å; L868-F889 HydrophobicContact CD1-CD1 4.4Å; L868-F889 HydrophobicContact CD1-CD2 3.72Å; L868-F889 HydrophobicContact CD1-CE2 4.36Å; L868-F889 HydrophobicContact CD1-CG 3.73Å; L868-F889 HydrophobicContact CD2-CD1 4.05Å; L868-F889 HydrophobicContact CD2-CD2 4.05Å; L868-F889 HydrophobicContact CD2-CE1 3.92Å; L868-F889 HydrophobicContact CD2-CE2 3.92Å; L868-F889 HydrophobicContact CD2-CG 4.1Å; L868-F889 HydrophobicContact CD2-CZ 3.84Å; L868-F889 HydrophobicContact CG-CB 4.02Å; L868-F889 HydrophobicContact CG-CD1 3.83Å; L868-F889 HydrophobicContact CG-CD2 3.97Å; L868-F889 HydrophobicContact CG-CE1 4.23Å; L868-F889 HydrophobicContact CG-CE2 4.36Å; L868-F889 HydrophobicContact CG-CG 3.68Å; L868-F889 HydrophobicContact CG-CZ 4.47Å
869S92.7Very high93.6Very high2 Ų243.4 Ų43.41%0.01427%0.267CS..SBendtrans-65.2-37.617266.90000111.1E639 R691 S867 M871E639-S869 WeakPolarHBondContact OE1-CB 3.31Å; E639-S869 PolarHBondContact OE1-OG 2.91Å; E639-S869 PolarHBondContact OE2-N 2.87Å; R691-S869 WeakPolarHBondContact CD-O 3.43Å; R691-S869 PolarHBondContact NH1-O 3.41Å; S867-S869 PolarHBondContact OG-N 2.96Å; S867-S869 PolarHBondContact OG-OG 2.79Å; S869-M871 WeakPolarHBondContact OG-CB 3.47Å; S869-M871 PolarHBondContact OG-N 3.32Å
870G91.6Very high93.4Very high23 Ų2343.9 Ų43.924%0.23727%0.268CS..  trans103.3-6.1-173.600000113.5N688 S867 L868N688-G870 VanDerWaalsContact CB-O 3.3Å; N688-G870 WeakPolarHBondContact CB-O 3.36Å; N688-G870 PolarHBondContact ND2-O 3.13Å; S867-G870 PolarHBondContact OG-N 3.43Å; L868-G870 VanDerWaalsContact C-N 3.29Å
871M94.5Very high93.3Very high0 Ų043.8 Ų43.80%026%0.264CS..  trans-55.9142.9-178-170-175.479.400112.6I637 L661 L686 I689 I692 Y747 S867 S869 K887I637-M871 HydrophobicContact CD1-CE 3.72Å; I637-M871 HydrophobicContact CG1-CE 3.83Å; I637-M871 HydrophobicContact CG2-CE 4.19Å; L661-M871 HydrophobicContact CB-CE 4.44Å; L686-M871 HydrophobicContact CD1-SD 4.23Å; L686-M871 HydrophobicContact CD2-SD 4.28Å; I689-M871 HydrophobicContact CG2-CG 4.07Å; I692-M871 HydrophobicContact CD1-CB 4.25Å; I692-M871 HydrophobicContact CD1-CG 4.27Å; I692-M871 HydrophobicContact CD1-SD 3.97Å; Y747-M871 HydrophobicContact CD1-CE 4.31Å; Y747-M871 HydrophobicContact CD1-SD 4.15Å; Y747-M871 HydrophobicContact CE1-CE 3.45Å; Y747-M871 VanDerWaalsContact CE1-CE 3.45Å; Y747-M871 HydrophobicContact CE1-SD 3.75Å; Y747-M871 HydrophobicContact CE2-SD 4.3Å; S867-M871 PolarHBondContact OG-N 2.81Å; S869-M871 WeakPolarHBondContact OG-CB 3.47Å; S869-M871 PolarHBondContact OG-N 3.32Å; M871-K887 PolarHBondContact O-NZ 2.62Å
872D95.6Very high93.2Very high51 Ų5146.2 Ų46.227%0.27328%0.276SS..EExtended strand (participates in β ladder)trans-130.3169.8162-136.5-20.8000112.7L686 V687 K887L686-D872 WeakPolarHBondContact CA-O 3.4Å; V687-D872 HydrophobicContact CG2-CB 3.61Å; V687-D872 PolarHBondContact N-O 3.34Å; V687-D872 PolarHBondContact O-N 3.23Å; D872-K887 WeakPolarHBondContact OD1-CE 3.38Å; D872-K887 IonicContact OD1-NZ 3.45Å; D872-K887 PolarHBondContact OD1-NZ 3.11Å; D872-K887 IonicContact OD2-NZ 3.28Å; D872-K887 PolarHBondContact OD2-NZ 2.82Å
873V97Very high93.1Very high7 Ų744.7 Ų44.74%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-133123.7177.358.40000111.4A635 I637 L661 M663 F684 R685 L686 M882 V885A635-V873 HydrophobicContact CB-CG1 3.73Å; I637-V873 HydrophobicContact CD1-CG1 4.29Å; L661-V873 HydrophobicContact CD1-CG1 4.08Å; L661-V873 HydrophobicContact CD2-CG2 4.46Å; M663-V873 HydrophobicContact CE-CG2 4.38Å; F684-V873 HydrophobicContact CB-CG2 4.14Å; F684-V873 HydrophobicContact CD2-CG2 3.83Å; F684-V873 HydrophobicContact CG-CG2 4.28Å; R685-V873 WeakPolarHBondContact O-CA 3.16Å; L686-V873 HydrophobicContact CD2-CB 4.23Å; L686-V873 HydrophobicContact CD2-CG2 4.22Å; V873-M882 HydrophobicContact CG1-CE 4.19Å; V873-M882 HydrophobicContact CG2-CE 4.34Å; V873-V885 HydrophobicContact CG1-CG1 4.15Å
874E95.9Very high93.2Very high91 Ų9148 Ų4843%0.42529%0.286SS..EExtended strand (participates in β ladder)trans-116.3153.8174.664.3178.7-163.500110.9F684 R685 V687F684-E874 CarbonylContact C-O 3.55Å; F684-E874 WeakPolarHBondContact CA-O 3.47Å; F684-E874 WeakPolarHBondContact CB-O 3.35Å; R685-E874 HydrophobicContact CB-CG 3.86Å; R685-E874 WeakPolarHBondContact CD-OE1 3.35Å; R685-E874 HydrophobicContact CG-CG 4.45Å; R685-E874 PolarHBondContact N-O 2.89Å; R685-E874 PolarHBondContact O-N 2.85Å; V687-E874 HydrophobicContact CG1-CG 4.37Å
875L96.9Very high93.4Very high33 Ų3346.9 Ų46.917%0.17328%0.276CS..EExtended strand (participates in β ladder)trans-88.3141173.3-62-171000110.5M663 L682 F684 M882M663-L875 HydrophobicContact CE-CD2 3.72Å; L682-L875 HydrophobicContact CD1-CD1 4.41Å; L682-L875 HydrophobicContact CD1-CD2 4.1Å; F684-L875 HydrophobicContact CB-CD2 3.94Å; L875-M882 HydrophobicContact CD1-CB 4.32Å; L875-M882 HydrophobicContact CD2-CE 3.81Å; L875-M882 HydrophobicContact CG-CB 4.26Å; L875-M882 HydrophobicContact CG-CE 4.04Å
876V95.5Very high93.8Very high51 Ų5147.7 Ų47.731%0.30926%0.262SS..EExtended strand (participates in β ladder)trans-103.8111.5177.5179.60000108.2S683 R685S683-V876 PolarHBondContact O-N 3.46Å; S683-V876 PolarHBondContact OG-O 3.39Å; R685-V876 HydrophobicContact CB-CG2 3.84Å
877G91.2Very high94Very high58 Ų5848 Ų4860%0.59826%0.261SS*.SBendtrans109.9170.2-177.200000113.3
878T88.9Confident94.1Very high117 Ų11753 Ų5372%0.71828%0.278SS*.SBendtrans-104.9-11.1-172.252.50000114.9A630 Y880A630-T878 VanDerWaalsContact CB-O 3.23Å; A630-T878 WeakPolarHBondContact CB-O 3.32Å; T878-Y880 PolarHBondContact O-N 3.15Å
879R89.9Confident94.3Very high132 Ų13252.2 Ų52.250%0.49827%0.274SS..SBendtrans-76.6-9.8-176.9-58.7-57-62.1-95.1-2.2114.1A630 W631 P680A630-R879 WeakPolarHBondContact CA-O 3.34Å; W631-R879 PolarHBondContact N-O 3.12Å; P680-R879 HydrophobicContact CB-CB 4.15Å; P680-R879 HydrophobicContact CB-CG 4.12Å; P680-R879 HydrophobicContact CG-CB 3.93Å; P680-R879 HydrophobicContact CG-CG 4.23Å
880Y94Very high94.5Very high14 Ų1453.1 Ų53.16%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-130.9149.1174.2-66.5-90.9000109.1W631 V633 I669 F673 V679 P680 L682 M720 T878W631-Y880 HydrophobicContact CB-CD1 4.1Å; W631-Y880 HydrophobicContact CB-CE1 4.35Å; W631-Y880 HydrophobicContact CE3-CD1 4.27Å; W631-Y880 AromaticContact CE3-CE1 3.64Å; W631-Y880 HydrophobicContact CE3-CE1 3.64Å; W631-Y880 HydrophobicContact CE3-CE2 4.36Å; W631-Y880 AromaticContact CE3-CZ 3.67Å; W631-Y880 HydrophobicContact CZ3-CE1 4.39Å; W631-Y880 AromaticContact CZ3-CZ 3.98Å; W631-Y880 CarbonylContact O-C 3.57Å; W631-Y880 VanDerWaalsContact O-CA 3.31Å; W631-Y880 WeakPolarHBondContact O-CA 3.47Å; V633-Y880 HydrophobicContact CG2-CD1 3.96Å; I669-Y880 HydrophobicContact CD1-CE1 4.23Å; F673-Y880 HydrophobicContact CE1-CE1 4.49Å; F673-Y880 HydrophobicContact CZ-CE1 4.32Å; V679-Y880 WeakPolarHBondContact CG1-OH 3.07Å; P680-Y880 HydrophobicContact CG-CE2 4.29Å; P680-Y880 WeakPolarHBondContact O-CE2 3.38Å; P680-Y880 PolarHBondContact O-OH 3.25Å; P680-Y880 VanDerWaalsContact O-OH 3.11Å; L682-Y880 HydrophobicContact CB-CD2 4.11Å; L682-Y880 HydrophobicContact CB-CE1 4.3Å; L682-Y880 HydrophobicContact CB-CE2 3.79Å; L682-Y880 HydrophobicContact CD1-CD1 3.95Å; L682-Y880 HydrophobicContact CD1-CD2 3.82Å; L682-Y880 HydrophobicContact CD1-CE1 4.44Å; L682-Y880 HydrophobicContact CD1-CE2 4.35Å; L682-Y880 HydrophobicContact CD1-CG 3.6Å; M720-Y880 VanDerWaalsContact CE-OH 3.22Å; M720-Y880 WeakPolarHBondContact CE-OH 3.32Å; T878-Y880 PolarHBondContact O-N 3.15Å
881R94.3Very high94.7Very high79 Ų7953.2 Ų53.230%0.29828%0.277SS..EExtended strand (participates in β ladder)trans-128.4136176.461.3179.9-177.882.4-2.6111Q628 A630 W631 P632 V633 S883Q628-R881 VanDerWaalsContact OE1-NE 3.11Å; A630-R881 HydrophobicContact CB-CB 4.01Å; A630-R881 HydrophobicContact CB-CG 4.04Å; A630-R881 PolarHBondContact O-NE 3.38Å; W631-R881 PolarHBondContact O-N 2.92Å; P632-R881 WeakPolarHBondContact CA-O 3.1Å; P632-R881 HydrophobicContact CB-CG 4.48Å; V633-R881 PolarHBondContact N-O 2.82Å; R881-S883 PolarHBondContact O-N 3.35Å
882M94.9Very high94.7Very high52 Ų5254.8 Ų54.826%0.25629%0.293SS..EExtended strand (participates in β ladder)trans-72.8113.4173.4-169.265.280.500108.7V633 A635 M663 V873 L875 V885V633-M882 CarbonylContact O-C 3.57Å; V633-M882 WeakPolarHBondContact O-CA 3.19Å; A635-M882 HydrophobicContact CB-CE 3.75Å; A635-M882 HydrophobicContact CB-SD 3.78Å; M663-M882 HydrophobicContact CE-CE 4.1Å; V873-M882 HydrophobicContact CG1-CE 4.19Å; V873-M882 HydrophobicContact CG2-CE 4.34Å; L875-M882 HydrophobicContact CD1-CB 4.32Å; L875-M882 HydrophobicContact CD2-CE 3.81Å; L875-M882 HydrophobicContact CG-CB 4.26Å; L875-M882 HydrophobicContact CG-CE 4.04Å; M882-V885 HydrophobicContact CE-CG2 4.23Å; M882-V885 HydrophobicContact CG-CG2 3.51Å; M882-V885 HydrophobicContact SD-CG2 3.98Å
883S93.8Very high94.7Very high36 Ų3660.3 Ų60.325%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-86-23.5179.861.40000113.3P620 V633 R881P620-S883 WeakPolarHBondContact CA-OG 3.38Å; V633-S883 PolarHBondContact O-N 3.24Å; V633-S883 PolarHBondContact O-OG 2.9Å; R881-S883 PolarHBondContact O-N 3.35Å
884L93.8Very high94.6Very high72 Ų7260 Ų6038%0.37731%0.313SS..EExtended strand (participates in β ladder)trans-164.4139.9178.9178.262000110A634 A635 K886A634-L884 CarbonylContact C-O 3.59Å; A634-L884 WeakPolarHBondContact CA-O 3.48Å; A634-L884 HydrophobicContact CB-CB 4.11Å; A635-L884 PolarHBondContact N-O 3.36Å; L884-K886 HydrophobicContact CD2-CB 4.35Å; L884-K886 HydrophobicContact CG-CB 4.4Å
885V96.3Very high94.6Very high47 Ų4758 Ų5829%0.28530%0.304SS..EExtended strand (participates in β ladder)trans-116.4101.4163.6-174.60000108.7A635 I637 V873 M882 K887A635-V885 CarbonylContact O-C 3.49Å; A635-V885 WeakPolarHBondContact O-CA 3.36Å; I637-V885 HydrophobicContact CD1-CG1 4.32Å; V873-V885 HydrophobicContact CG1-CG1 4.15Å; M882-V885 HydrophobicContact CE-CG2 4.23Å; M882-V885 HydrophobicContact CG-CG2 3.51Å; M882-V885 HydrophobicContact SD-CG2 3.98Å; V885-K887 HydrophobicContact CG1-CG 4.1Å; V885-K887 PolarHBondContact O-N 3.21Å
886K95.9Very high94.5Very high78 Ų7856.4 Ų56.434%0.33930%0.296SS..EExtended strand (participates in β ladder)trans-90.6102.3-177.9-177.2173178.3171.80110.4S617 A635 A636 I637 L884S617-K886 PolarHBondContact OG-NZ 3.05Å; A635-K886 PolarHBondContact O-N 3Å; A636-K886 CarbonylContact C-O 3.47Å; A636-K886 VanDerWaalsContact CA-O 3.28Å; A636-K886 WeakPolarHBondContact CA-O 3.28Å; A636-K886 HydrophobicContact CB-CB 4.4Å; I637-K886 PolarHBondContact N-O 3.41Å; L884-K886 HydrophobicContact CD2-CB 4.35Å; L884-K886 HydrophobicContact CG-CB 4.4Å
887K96Very high94.2Very high32 Ų3254.1 Ų54.114%0.13928%0.283CS..EExtended strand (participates in β ladder)trans-97.1135.1177.3-48.9-169.4-173.8-173.90111.9I637 G865 T866 M871 D872 V885I637-K887 HydrophobicContact CB-CG 4.32Å; I637-K887 HydrophobicContact CD1-CD 4.34Å; I637-K887 HydrophobicContact CD1-CG 4.29Å; I637-K887 WeakPolarHBondContact O-CA 3.38Å; G865-K887 PolarHBondContact N-O 3.2Å; T866-K887 WeakPolarHBondContact O-CB 3.4Å; M871-K887 PolarHBondContact O-NZ 2.62Å; D872-K887 WeakPolarHBondContact OD1-CE 3.38Å; D872-K887 IonicContact OD1-NZ 3.45Å; D872-K887 PolarHBondContact OD1-NZ 3.11Å; D872-K887 IonicContact OD2-NZ 3.28Å; D872-K887 PolarHBondContact OD2-NZ 2.82Å; V885-K887 HydrophobicContact CG1-CG 4.1Å; V885-K887 PolarHBondContact O-N 3.21Å
888R95.3Very high93.9Very high118 Ų11851.8 Ų51.845%0.44526%0.257SS..EExtended strand (participates in β ladder)trans-150.5152.5175.261.2175.5178.6171.61.5111.7I637 T638 E639 G863I637-R888 PolarHBondContact O-N 3.06Å; T638-R888 WeakPolarHBondContact CA-O 3.38Å; T638-R888 HydrophobicContact CG2-CG 4.15Å; T638-R888 PolarHBondContact OG1-NE 3.5Å; T638-R888 PolarHBondContact OG1-NH2 2.89Å; E639-R888 PolarHBondContact N-O 3.48Å; G863-R888 WeakPolarHBondContact O-CA 3.26Å
889F96.1Very high93.3Very high3 Ų348 Ų481%0.01324%0.235CC..EExtended strand (participates in β ladder)trans-140.9155.7171.861.7-98.8000112.6E639 P786 T788 L790 F861 V862 G863 L868E639-F889 HydrophobicContact CB-CB 4.01Å; E639-F889 CarbonylContact O-C 3.58Å; E639-F889 WeakPolarHBondContact O-CA 3.41Å; P786-F889 HydrophobicContact CG-CE1 3.67Å; P786-F889 HydrophobicContact CG-CZ 3.86Å; T788-F889 HydrophobicContact CG2-CE1 3.95Å; T788-F889 HydrophobicContact CG2-CZ 4Å; L790-F889 HydrophobicContact CD2-CE2 3.68Å; L790-F889 HydrophobicContact CD2-CZ 3.81Å; F861-F889 HydrophobicContact CD2-CE2 4.15Å; F861-F889 HydrophobicContact CE2-CD2 4.25Å; F861-F889 AromaticContact CE2-CE2 3.98Å; F861-F889 HydrophobicContact CE2-CE2 3.98Å; V862-F889 WeakPolarHBondContact CA-O 3.48Å; G863-F889 PolarHBondContact N-O 3.05Å; G863-F889 PolarHBondContact O-N 2.97Å; L868-F889 HydrophobicContact CD1-CB 3.81Å; L868-F889 HydrophobicContact CD1-CD1 4.4Å; L868-F889 HydrophobicContact CD1-CD2 3.72Å; L868-F889 HydrophobicContact CD1-CE2 4.36Å; L868-F889 HydrophobicContact CD1-CG 3.73Å; L868-F889 HydrophobicContact CD2-CD1 4.05Å; L868-F889 HydrophobicContact CD2-CD2 4.05Å; L868-F889 HydrophobicContact CD2-CE1 3.92Å; L868-F889 HydrophobicContact CD2-CE2 3.92Å; L868-F889 HydrophobicContact CD2-CG 4.1Å; L868-F889 HydrophobicContact CD2-CZ 3.84Å; L868-F889 HydrophobicContact CG-CB 4.02Å; L868-F889 HydrophobicContact CG-CD1 3.83Å; L868-F889 HydrophobicContact CG-CD2 3.97Å; L868-F889 HydrophobicContact CG-CE1 4.23Å; L868-F889 HydrophobicContact CG-CE2 4.36Å; L868-F889 HydrophobicContact CG-CG 3.68Å; L868-F889 HydrophobicContact CG-CZ 4.47Å
890A96.2Very high92.5Very high21 Ų2148.4 Ų48.417%0.17425%0.247CC..EExtended strand (participates in β ladder)trans-143.4158175.500000112E639 Y640 I641 F861 V862E639-A890 PolarHBondContact O-N 2.95Å; Y640-A890 WeakPolarHBondContact CA-O 3.48Å; Y640-A890 HydrophobicContact CD1-CB 4.22Å; Y640-A890 HydrophobicContact CE1-CB 4.16Å; I641-A890 PolarHBondContact N-O 3.26Å; F861-A890 WeakPolarHBondContact O-CA 3.44Å; V862-A890 HydrophobicContact CG2-CB 4.29Å
891T96.9Very high92.4Very high25 Ų2550.1 Ų50.115%0.15326%0.257CS..EExtended strand (participates in β ladder)trans-68133.116945.50000112.3Q860 F861 Y894Q860-T891 VanDerWaalsContact CA-OG1 3.27Å; Q860-T891 WeakPolarHBondContact CA-OG1 3.45Å; F861-T891 HydrophobicContact CB-CG2 4.46Å; F861-T891 HydrophobicContact CD1-CG2 3.39Å; F861-T891 HydrophobicContact CD2-CG2 3.83Å; F861-T891 HydrophobicContact CE1-CG2 3.35Å; F861-T891 HydrophobicContact CE2-CG2 3.79Å; F861-T891 HydrophobicContact CG-CG2 3.63Å; F861-T891 HydrophobicContact CZ-CG2 3.55Å; F861-T891 PolarHBondContact N-OG1 3.21Å; F861-T891 VanDerWaalsContact N-OG1 3.08Å; F861-T891 PolarHBondContact O-N 2.54Å; F861-T891 PolarHBondContact O-OG1 2.94Å; T891-Y894 HydrophobicContact CG2-CD2 4.06Å; T891-Y894 HydrophobicContact CG2-CG 4.05Å
892G95Very high92.3Very high33 Ų3348.6 Ų48.634%0.3425%0.254SS..EExtended strand (participates in β ladder)trans-89.4-125.9155.300000110.1I641 Y894I641-G892 PolarHBondContact O-N 3.02Å; G892-Y894 PolarHBondContact O-N 2.98Å; G892-Y894 VanDerWaalsContact O-N 3.14Å
893K94.1Very high92.2Very high167 Ų16748.4 Ų48.473%0.72625%0.254SS*.EExtended strand (participates in β ladder)trans-76.795.8169.7-66-174.5179.2-1760109.5N642 A643N642-K893 CarbonylContact C-O 3.6Å; N642-K893 WeakPolarHBondContact CA-O 3.47Å; N642-K893 WeakPolarHBondContact CB-O 3.44Å; N642-K893 PolarHBondContact OD1-N 3.16Å; A643-K893 PolarHBondContact N-O 2.88Å
894Y96.6Very high92.1Very high1 Ų149.1 Ų49.10%0.00425%0.254CS..EExtended strand (participates in β ladder)trans-114.8110.3178.2-155-77.2000108.5I641 A643 F645 L759 L761 A858 V859 F861 T891 G892I641-Y894 HydrophobicContact CD1-CE2 3.97Å; I641-Y894 HydrophobicContact CG1-CD2 4.22Å; I641-Y894 HydrophobicContact CG1-CE2 3.98Å; I641-Y894 HydrophobicContact CG2-CD2 4.11Å; I641-Y894 HydrophobicContact CG2-CE2 4.16Å; A643-Y894 HydrophobicContact CB-CD1 4.14Å; A643-Y894 HydrophobicContact CB-CD2 3.5Å; A643-Y894 VanDerWaalsContact CB-CD2 3.5Å; A643-Y894 HydrophobicContact CB-CE1 4.11Å; A643-Y894 HydrophobicContact CB-CE2 3.46Å; A643-Y894 VanDerWaalsContact CB-CE2 3.46Å; A643-Y894 HydrophobicContact CB-CG 3.86Å; A643-Y894 CarbonylContact O-C 3.52Å; A643-Y894 WeakPolarHBondContact O-CA 3.15Å; F645-Y894 AromaticContact CE2-CE1 3.82Å; F645-Y894 HydrophobicContact CE2-CE1 3.82Å; L759-Y894 HydrophobicContact CB-CE1 4.44Å; L759-Y894 PolarHBondContact N-OH 2.91Å; L759-Y894 WeakPolarHBondContact O-CE1 3.47Å; L759-Y894 PolarHBondContact O-OH 2.89Å; L761-Y894 HydrophobicContact CD1-CD1 3.87Å; L761-Y894 HydrophobicContact CD1-CE1 3.8Å; L761-Y894 HydrophobicContact CG-CE1 4.24Å; A858-Y894 CarbonylContact C-O 3.6Å; A858-Y894 WeakPolarHBondContact CA-O 3.49Å; V859-Y894 HydrophobicContact CB-CD1 4.22Å; V859-Y894 PolarHBondContact N-O 2.93Å; V859-Y894 WeakPolarHBondContact O-CB 3.5Å; F861-Y894 HydrophobicContact CE1-CD1 4.22Å; F861-Y894 HydrophobicContact CE1-CD2 4.11Å; F861-Y894 AromaticContact CE1-CE1 4Å; F861-Y894 HydrophobicContact CE1-CE1 4Å; F861-Y894 AromaticContact CE1-CE2 3.89Å; F861-Y894 HydrophobicContact CE1-CE2 3.89Å; F861-Y894 HydrophobicContact CE1-CG 4.26Å; F861-Y894 AromaticContact CE1-CZ 3.81Å; F861-Y894 HydrophobicContact CZ-CD2 4.04Å; F861-Y894 AromaticContact CZ-CE2 3.65Å; F861-Y894 HydrophobicContact CZ-CE2 3.65Å; F861-Y894 AromaticContact CZ-CZ 3.92Å; T891-Y894 HydrophobicContact CG2-CD2 4.06Å; T891-Y894 HydrophobicContact CG2-CG 4.05Å; G892-Y894 PolarHBondContact O-N 2.98Å; G892-Y894 VanDerWaalsContact O-N 3.14Å
895M95Very high92Very high48 Ų4847.7 Ų47.724%0.23625%0.247CC..EExtended strand (participates in β ladder)trans-136.2145.9-159.2-57.6-62.9-56.100112.5A643 Y644 F645 L857 A858A643-M895 PolarHBondContact O-N 2.61Å; Y644-M895 WeakPolarHBondContact CA-O 3.47Å; Y644-M895 HydrophobicContact CD2-CB 3.84Å; Y644-M895 HydrophobicContact CE2-CB 4.45Å; F645-M895 PolarHBondContact N-O 2.95Å; L857-M895 CarbonylContact O-C 3.59Å; L857-M895 VanDerWaalsContact O-CA 3.29Å; L857-M895 WeakPolarHBondContact O-CA 3.17Å; A858-M895 HydrophobicContact CB-CE 3.91Å; A858-M895 HydrophobicContact CB-SD 3.48Å; A858-M895 WeakPolarHBondContact CB-SD 3.2Å
896A94.4Very high91.7Very high0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-122.1119.6164.400000110.2F645 L761 A763 L776 S856 L857F645-A896 HydrophobicContact CB-CB 4.37Å; L761-A896 HydrophobicContact CB-CB 3.84Å; L761-A896 HydrophobicContact CD1-CB 3.98Å; A763-A896 HydrophobicContact CB-CB 3.87Å; L776-A896 HydrophobicContact CD1-CB 3.89Å; S856-A896 CarbonylContact C-O 3.58Å; S856-A896 VanDerWaalsContact CA-O 3.23Å; S856-A896 WeakPolarHBondContact CA-O 3.48Å; L857-A896 PolarHBondContact N-O 3.07Å; L857-A896 PolarHBondContact O-N 2.89Å
897G90.3Very high91.4Very high4 Ų445.6 Ų45.64%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-85.7135.2168.200000110.2F645 K646F645-G897 PolarHBondContact O-N 3.25Å; K646-G897 CarbonylContact C-O 3.56Å
898C84.5Confident91Very high8 Ų846.6 Ų46.65%0.05425%0.245CC..PPolyproline II helixtrans-80.9143.8178.8-420000111.3A763 C765 P854 P855A763-C898 HydrophobicContact CB-CB 4.25Å; A763-C898 WeakPolarHBondContact O-CA 3.41Å; C765-C898 HydrophobicContact CB-CB 3.5Å; C765-C898 VanDerWaalsContact CB-CB 3.5Å; P854-C898 HydrophobicContact CB-CB 4.07Å; P854-C898 WeakPolarHBondContact CG-O 3.4Å; P855-C898 PolarHBondContact O-SG 3.33Å
899S77.1Confident90.7Very high37 Ų3740.7 Ų40.726%0.25923%0.228SC..BIsolated β-bridgetrans-74.9147.8155.333.80000110.9G648 A763 C765G648-S899 PolarHBondContact N-OG 3.13Å; A763-S899 PolarHBondContact O-N 3.26Å; C765-S899 WeakPolarHBondContact CB-O 3.31Å; C765-S899 PolarHBondContact N-O 3.41Å
900L72.2Confident90.2Very high141 Ų14144.1 Ų44.174%0.73825%0.248SC*.  trans-96.40162.7-73.4170.2000109.9C765 R767 P854C765-L900 HydrophobicContact CB-CD2 3.96Å; C765-L900 VanDerWaalsContact SG-CD2 3.59Å; R767-L900 HydrophobicContact CG-CD2 3.95Å; P854-L900 HydrophobicContact CB-CD1 4.42Å; P854-L900 HydrophobicContact CB-CD2 4.36Å; P854-L900 HydrophobicContact CB-CG 4.01Å; P854-L900 HydrophobicContact CG-CD1 4.28Å; P854-L900 HydrophobicContact CG-CG 4.11Å

Retrieved 900 of 900 residues in 1312.8 ms (Link to these results)

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