A0A093K7D1_STRCA Loading...

Leucine-rich repeat-containing protein 57

AlphaFold DB , UniProt , Accession A0A093K7D1, Species STRCA (Struthio camelus australis), Gene n/a, Length 238 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
1M43.4Very low70.9Confident224 Ų22486.4 Ų86.4100%1.10350%0.495SS*.  0-7.70-64.8-165.9-130.300114.5S4M1-S4 PolarHBondContact O-OG 3.26Å
2G46.4Very low72.5Confident61 Ų6185.8 Ų85.863%0.62949%0.494SS*.Hα-helixtrans-73.2-27.1-179.200000116L6G2-L6 PolarHBondContact O-N 3.39Å
3N51.4Low73.9Confident131 Ų13179.2 Ų79.270%0.70146%0.456SS*.Hα-helixtrans-80-28.4-171.4-137.1-1.6000114K7N3-K7 PolarHBondContact O-N 3.42Å
4S60.7Low75.1Confident86 Ų8682.3 Ų82.360%0.60146%0.464SS*.Hα-helixtrans-73-36.3176.854.30000112.2M1 A8M1-S4 PolarHBondContact O-OG 3.26Å; S4-A8 PolarHBondContact O-N 3.46Å
5A70.2Confident76.1Confident41 Ų4188.9 Ų88.934%0.33949%0.486SS..Hα-helixtrans-64.5-50.4176.500000110.7K7 A8 H9A5-K7 VanDerWaalsContact C-N 3.31Å; A5-K7 PolarHBondContact O-N 3.26Å; A5-A8 PolarHBondContact O-N 3.32Å; A5-H9 PolarHBondContact O-N 3.46Å; A5-H9 PolarHBondContact O-ND1 2.69Å
6L80Confident77.2Confident32 Ų3288.4 Ų88.417%0.16849%0.487CS..Hα-helixtrans-57.5-44.3179.8-176.465.4000112G2 A8 H9 L10 F19 L21 P30G2-L6 PolarHBondContact O-N 3.39Å; L6-A8 PolarHBondContact O-N 2.85Å; L6-H9 PolarHBondContact O-N 3.06Å; L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 2.98Å; L6-F19 HydrophobicContact CD1-CE2 4.39Å; L6-F19 HydrophobicContact CD1-CZ 3.85Å; L6-L21 HydrophobicContact CD1-CD2 3.52Å; L6-P30 HydrophobicContact CD1-CB 4.28Å; L6-P30 HydrophobicContact CD1-CG 4.45Å
7K82.1Confident78.2Confident133 Ų13383.3 Ų83.358%0.57846%0.459SS*.Hα-helixtrans-59.6-43.9179.5-167.5177.1177.6-176.60112.9N3 A5 H9 L10 E11N3-K7 PolarHBondContact O-N 3.42Å; A5-K7 VanDerWaalsContact C-N 3.31Å; A5-K7 PolarHBondContact O-N 3.26Å; K7-H9 VanDerWaalsContact C-N 3.34Å; K7-H9 PolarHBondContact O-N 3.47Å; K7-L10 PolarHBondContact O-N 2.99Å; K7-E11 WeakPolarHBondContact O-CG 3.35Å; K7-E11 PolarHBondContact O-N 3.24Å
8A84.1Confident79.2Confident50 Ų5081.4 Ų81.441%0.41345%0.45SS..Hα-helixtrans-64-37.4177.400000112.8S4 A5 L6 T12S4-A8 PolarHBondContact O-N 3.46Å; A5-A8 PolarHBondContact O-N 3.32Å; L6-A8 PolarHBondContact O-N 2.85Å; A8-T12 WeakPolarHBondContact O-CB 3.12Å; A8-T12 PolarHBondContact O-N 3.44Å; A8-T12 PolarHBondContact O-OG1 3.33Å
9H86.6Confident80.1Confident68 Ų6877.1 Ų77.132%0.31543%0.426SS..Hα-helixtrans-69.5-36.6175.9-66.577.3000111.3A5 L6 K7 T12 A13 F19 Q20A5-H9 PolarHBondContact O-N 3.46Å; A5-H9 PolarHBondContact O-ND1 2.69Å; L6-H9 PolarHBondContact O-N 3.06Å; K7-H9 VanDerWaalsContact C-N 3.34Å; K7-H9 PolarHBondContact O-N 3.47Å; H9-T12 PolarHBondContact O-N 3.2Å; H9-A13 WeakPolarHBondContact O-CB 3.2Å; H9-A13 PolarHBondContact O-N 2.86Å; H9-F19 HydrophobicContact CB-CD2 4.34Å; H9-F19 HydrophobicContact CB-CE2 3.79Å; H9-F19 HydrophobicContact CB-CZ 4.48Å; H9-Q20 PolarHBondContact CD2-O 3.43Å
10L87.8Confident80.8Confident26 Ų2678.5 Ų78.514%0.13643%0.429CS..Hα-helixtrans-64.5-45.2174.6-70.8168.9000112L6 K7 T12 A13 Q14 F19 D32 L33 L36L6-L10 HydrophobicContact CG-CD1 4.09Å; L6-L10 HydrophobicContact CG-CG 4.48Å; L6-L10 WeakPolarHBondContact O-CG 3.47Å; L6-L10 PolarHBondContact O-N 2.98Å; K7-L10 PolarHBondContact O-N 2.99Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.23Å; L10-A13 PolarHBondContact O-N 3.22Å; L10-Q14 WeakPolarHBondContact O-CB 3.5Å; L10-Q14 PolarHBondContact O-N 3.02Å; L10-F19 HydrophobicContact CD2-CD2 4.26Å; L10-F19 HydrophobicContact CD2-CE2 3.8Å; L10-F19 HydrophobicContact CG-CE2 4.11Å; L10-D32 HydrophobicContact CD1-CB 3.64Å; L10-D32 HydrophobicContact CD2-CB 4.27Å; L10-L33 HydrophobicContact CD2-CD2 3.61Å; L10-L33 HydrophobicContact CD2-CG 4.33Å; L10-L36 HydrophobicContact CD2-CD1 3.99Å
11E87.7Confident81.3Confident98 Ų9875.1 Ų75.146%0.45841%0.411SS..Hα-helixtrans-62.7-40.6176.7-72.6176.7-165.800111.8K7 Q14 K15K7-E11 WeakPolarHBondContact O-CG 3.35Å; K7-E11 PolarHBondContact O-N 3.24Å; E11-Q14 PolarHBondContact O-N 2.96Å; E11-K15 PolarHBondContact O-N 3.2Å
12T89.3Confident83.8Confident79 Ų7967.3 Ų67.349%0.48538%0.376SS..Hα-helixtrans-65.3-43.4175.3-56.70000111.1A8 H9 L10 Q14 K15 T16A8-T12 WeakPolarHBondContact O-CB 3.12Å; A8-T12 PolarHBondContact O-N 3.44Å; A8-T12 PolarHBondContact O-OG1 3.33Å; H9-T12 PolarHBondContact O-N 3.2Å; L10-T12 VanDerWaalsContact C-N 3.33Å; L10-T12 PolarHBondContact O-N 3.23Å; T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 PolarHBondContact O-N 3.43Å; T12-K15 PolarHBondContact O-N 2.79Å; T12-K15 VanDerWaalsContact O-N 3.13Å; T12-T16 HydrophobicContact CG2-CG2 4.13Å; T12-T16 WeakPolarHBondContact O-CB 3.38Å; T12-T16 WeakPolarHBondContact O-CG2 3.45Å; T12-T16 PolarHBondContact O-N 3.45Å; T12-T16 PolarHBondContact O-OG1 3.35Å
13A91.3Very high86Confident0 Ų066.8 Ų66.80%037%0.37CS..Hα-helixtrans-66.6-32.9178.900000112.5H9 L10 K15 G17 V18 F19 L36 L40H9-A13 WeakPolarHBondContact O-CB 3.2Å; H9-A13 PolarHBondContact O-N 2.86Å; L10-A13 PolarHBondContact O-N 3.22Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.39Å; A13-G17 VanDerWaalsContact O-CA 3.31Å; A13-G17 WeakPolarHBondContact O-CA 3.35Å; A13-G17 PolarHBondContact O-N 2.79Å; A13-V18 VanDerWaalsContact CA-O 3.27Å; A13-V18 WeakPolarHBondContact CA-O 3.27Å; A13-V18 VanDerWaalsContact CB-O 3.25Å; A13-V18 WeakPolarHBondContact CB-O 3.48Å; A13-F19 HydrophobicContact CB-CB 3.8Å; A13-F19 HydrophobicContact CB-CD2 3.76Å; A13-F19 HydrophobicContact CB-CG 4.29Å; A13-L36 HydrophobicContact CB-CD1 3.98Å; A13-L40 HydrophobicContact CB-CD2 3.82Å
14Q90.9Very high87.9Confident123 Ų12367 Ų6758%0.57537%0.365SS*.Hα-helixtrans-62.6-33.6172.6-171.4177.84.500112.3L10 E11 T12 L36 N39L10-Q14 WeakPolarHBondContact O-CB 3.5Å; L10-Q14 PolarHBondContact O-N 3.02Å; E11-Q14 PolarHBondContact O-N 2.96Å; T12-Q14 VanDerWaalsContact C-N 3.31Å; T12-Q14 PolarHBondContact O-N 3.43Å; Q14-L36 HydrophobicContact CB-CD2 3.83Å; Q14-L36 HydrophobicContact CG-CD2 3.95Å; Q14-N39 PolarHBondContact O-ND2 2.84Å
15K90Very high89.4Confident181 Ų18164.4 Ų64.479%0.78735%0.352SS*.Hα-helixtrans-84.9-37.6179.1-66.2176-176.6174.80112.8E11 T12 A13E11-K15 PolarHBondContact O-N 3.2Å; T12-K15 PolarHBondContact O-N 2.79Å; T12-K15 VanDerWaalsContact O-N 3.13Å; A13-K15 VanDerWaalsContact C-N 3.26Å; A13-K15 PolarHBondContact O-N 3.39Å
16T93.2Very high90.4Very high82 Ų8264.3 Ų64.350%0.50335%0.346SS..Hα-helixtrans-99.8-19.9-169.660.90000114T12 V18T12-T16 HydrophobicContact CG2-CG2 4.13Å; T12-T16 WeakPolarHBondContact O-CB 3.38Å; T12-T16 WeakPolarHBondContact O-CG2 3.45Å; T12-T16 PolarHBondContact O-N 3.45Å; T12-T16 PolarHBondContact O-OG1 3.35Å; T16-V18 PolarHBondContact O-N 2.92Å; T16-V18 PolarHBondContact OG1-N 3.39Å; T16-V18 PolarHBondContact OG1-O 3.13Å
17G94.6Very high91.1Very high1 Ų167.4 Ų67.41%0.0137%0.366CS..SBendtrans72.611.2-168.900000113.6A13 L40 R41 T42A13-G17 VanDerWaalsContact O-CA 3.31Å; A13-G17 WeakPolarHBondContact O-CA 3.35Å; A13-G17 PolarHBondContact O-N 2.79Å; G17-L40 WeakPolarHBondContact O-CA 3.48Å; G17-R41 PolarHBondContact O-N 3.22Å; G17-T42 PolarHBondContact O-N 3.31Å; G17-T42 VanDerWaalsContact O-N 3.15Å
18V96.1Very high91.6Very high49 Ų4967.4 Ų67.430%0.29737%0.368SS..EExtended strand (participates in β ladder)trans-121.9117-177.8179.50000109.3A13 T16 Q20 T42A13-V18 VanDerWaalsContact CA-O 3.27Å; A13-V18 WeakPolarHBondContact CA-O 3.27Å; A13-V18 VanDerWaalsContact CB-O 3.25Å; A13-V18 WeakPolarHBondContact CB-O 3.48Å; T16-V18 PolarHBondContact O-N 2.92Å; T16-V18 PolarHBondContact OG1-N 3.39Å; T16-V18 PolarHBondContact OG1-O 3.13Å; V18-Q20 HydrophobicContact CG1-CG 3.85Å; V18-T42 WeakPolarHBondContact CA-O 3.25Å; V18-T42 HydrophobicContact CG1-CG2 4.2Å
19F95.5Very high92Very high0 Ų065.4 Ų65.40%035%0.35CS..EExtended strand (participates in β ladder)trans-106.8124.5172.4-174.1-99.3000109.8L6 H9 L10 A13 L21 P30 L33 L40 T42 I43 D44 L45L6-F19 HydrophobicContact CD1-CE2 4.39Å; L6-F19 HydrophobicContact CD1-CZ 3.85Å; H9-F19 HydrophobicContact CB-CD2 4.34Å; H9-F19 HydrophobicContact CB-CE2 3.79Å; H9-F19 HydrophobicContact CB-CZ 4.48Å; L10-F19 HydrophobicContact CD2-CD2 4.26Å; L10-F19 HydrophobicContact CD2-CE2 3.8Å; L10-F19 HydrophobicContact CG-CE2 4.11Å; A13-F19 HydrophobicContact CB-CB 3.8Å; A13-F19 HydrophobicContact CB-CD2 3.76Å; A13-F19 HydrophobicContact CB-CG 4.29Å; F19-L21 HydrophobicContact CE1-CB 3.77Å; F19-L21 HydrophobicContact CE1-CD2 4.39Å; F19-L21 HydrophobicContact CZ-CB 3.97Å; F19-L21 HydrophobicContact CZ-CD2 4Å; F19-P30 HydrophobicContact CE1-CG 4.43Å; F19-L33 HydrophobicContact CB-CD2 4.11Å; F19-L33 HydrophobicContact CD1-CD1 3.82Å; F19-L33 HydrophobicContact CD1-CD2 3.71Å; F19-L33 HydrophobicContact CD1-CG 4.37Å; F19-L33 HydrophobicContact CD2-CD2 3.51Å; F19-L33 HydrophobicContact CE1-CD1 3.81Å; F19-L33 HydrophobicContact CE1-CD2 3.92Å; F19-L33 HydrophobicContact CE1-CG 4.31Å; F19-L33 HydrophobicContact CE2-CD2 3.74Å; F19-L33 HydrophobicContact CG-CD1 4.43Å; F19-L33 HydrophobicContact CG-CD2 3.48Å; F19-L33 VanDerWaalsContact CG-CD2 3.48Å; F19-L33 HydrophobicContact CZ-CD1 4.41Å; F19-L33 HydrophobicContact CZ-CD2 3.93Å; F19-L33 HydrophobicContact CZ-CG 4.45Å; F19-L40 HydrophobicContact CB-CD1 4.09Å; F19-L40 HydrophobicContact CB-CD2 4.21Å; F19-T42 PolarHBondContact N-O 2.84Å; F19-I43 CarbonylContact O-C 3.55Å; F19-I43 WeakPolarHBondContact O-CA 3.49Å; F19-D44 PolarHBondContact O-N 2.9Å; F19-L45 HydrophobicContact CD1-CD2 3.93Å; F19-L45 HydrophobicContact CE1-CD2 3.58Å
20Q94Very high92.1Very high105 Ų10562.8 Ų62.849%0.49134%0.339SS..EExtended strand (participates in β ladder)trans-131.4128.1177.3-61.4-177.4-15.400109H9 V18 D44H9-Q20 PolarHBondContact CD2-O 3.43Å; V18-Q20 HydrophobicContact CG1-CG 3.85Å; Q20-D44 CarbonylContact C-O 3.56Å; Q20-D44 WeakPolarHBondContact CA-O 3.41Å; Q20-D44 HydrophobicContact CB-CB 4.36Å; Q20-D44 HydrophobicContact CG-CB 3.97Å
21L93.1Very high92.1Very high7 Ų768.7 Ų68.74%0.03737%0.366CS..  trans-149.578.3175.6-166.660.5000110L6 F19 K24 L26 D44 L45 N48L6-L21 HydrophobicContact CD1-CD2 3.52Å; F19-L21 HydrophobicContact CE1-CB 3.77Å; F19-L21 HydrophobicContact CE1-CD2 4.39Å; F19-L21 HydrophobicContact CZ-CB 3.97Å; F19-L21 HydrophobicContact CZ-CD2 4Å; L21-K24 HydrophobicContact CD1-CG 3.64Å; L21-K24 HydrophobicContact CG-CB 4.42Å; L21-K24 HydrophobicContact CG-CG 3.9Å; L21-L26 HydrophobicContact CB-CD1 4.35Å; L21-L26 HydrophobicContact CD2-CD1 3.69Å; L21-L26 HydrophobicContact CD2-CD2 4.22Å; L21-L26 HydrophobicContact CD2-CG 4.44Å; L21-L26 HydrophobicContact CG-CD1 3.97Å; L21-D44 PolarHBondContact N-O 2.78Å; L21-L45 HydrophobicContact CB-CD2 4.13Å; L21-N48 PolarHBondContact O-ND2 2.92Å
22T93.9Very high92.2Very high60 Ų6066.9 Ų66.937%0.36836%0.36SS..  trans-97.1148-173.562.70000112.2K24 D44 S46T22-K24 VanDerWaalsContact C-N 3.27Å; T22-K24 PolarHBondContact O-N 3.43Å; T22-D44 HydrophobicContact CG2-CB 4.49Å; T22-D44 WeakPolarHBondContact CG2-OD1 3.47Å; T22-S46 WeakPolarHBondContact CA-O 3.28Å; T22-S46 VanDerWaalsContact CB-O 3.28Å; T22-S46 WeakPolarHBondContact CB-O 3.36Å
23G92.8Very high92.2Very high50 Ų5063.1 Ų63.152%0.51534%0.337SS..SBendtrans68.520.5170.500000115.1S46 N47G23-S46 PolarHBondContact N-O 2.99Å; G23-S46 VanDerWaalsContact N-O 3.1Å; G23-N47 WeakPolarHBondContact CA-O 3.13Å; G23-N47 PolarHBondContact N-O 2.88Å
24K91.7Very high92.2Very high135 Ų13567.9 Ų67.959%0.58736%0.359SS*.SBendtrans-98.61.5-176.1-59.8-51179-1740113.8L21 T22 L26 N48L21-K24 HydrophobicContact CD1-CG 3.64Å; L21-K24 HydrophobicContact CG-CB 4.42Å; L21-K24 HydrophobicContact CG-CG 3.9Å; T22-K24 VanDerWaalsContact C-N 3.27Å; T22-K24 PolarHBondContact O-N 3.43Å; K24-L26 VanDerWaalsContact C-N 3.26Å; K24-L26 HydrophobicContact CB-CG 4.25Å; K24-L26 PolarHBondContact O-N 3.27Å; K24-N48 PolarHBondContact N-OD1 2.88Å
25G91.9Very high92.2Very high33 Ų3369.8 Ų69.834%0.3437%0.365SS..  trans6727.3-179.700000113.2T27 N48G25-T27 PolarHBondContact O-N 2.85Å; G25-N48 PolarHBondContact N-OD1 3.22Å
26L91.9Very high92.3Very high38 Ų3862 Ų6220%0.19933%0.332CS..  trans-59.3128.6177.3-59.6170.1000110L21 K24 P30 L45 N48 K49 M50L21-L26 HydrophobicContact CB-CD1 4.35Å; L21-L26 HydrophobicContact CD2-CD1 3.69Å; L21-L26 HydrophobicContact CD2-CD2 4.22Å; L21-L26 HydrophobicContact CD2-CG 4.44Å; L21-L26 HydrophobicContact CG-CD1 3.97Å; K24-L26 VanDerWaalsContact C-N 3.26Å; K24-L26 HydrophobicContact CB-CG 4.25Å; K24-L26 PolarHBondContact O-N 3.27Å; L26-P30 HydrophobicContact CD1-CG 4.3Å; L26-L45 HydrophobicContact CD1-CD2 4.31Å; L26-N48 HydrophobicContact CB-CB 3.98Å; L26-N48 WeakPolarHBondContact CG-OD1 3.49Å; L26-N48 PolarHBondContact N-OD1 2.9Å; L26-K49 CarbonylContact O-C 3.46Å; L26-K49 VanDerWaalsContact O-C 3.22Å; L26-K49 VanDerWaalsContact O-CA 3.32Å; L26-K49 WeakPolarHBondContact O-CA 3.37Å; L26-K49 PolarHBondContact O-N 3.32Å; L26-M50 PolarHBondContact O-N 2.84Å
27T93.8Very high92.2Very high97 Ų9759.2 Ų59.260%0.59532%0.315SS*.SBendtrans-91.9-21.8175.649.70000112.2G25 K49 M50G25-T27 PolarHBondContact O-N 2.85Å; T27-K49 HydrophobicContact CG2-CB 4.43Å; T27-M50 WeakPolarHBondContact O-CA 3.36Å
28E93Very high92Very high133 Ų13363.5 Ų63.562%0.62135%0.345SS*.SBendtrans-134.6161-176.165.1-172.5-169.400111.6
29F92.2Very high91.8Very high9 Ų964.2 Ų64.24%0.03935%0.347CS..  trans-72.8130.2175.2-175.7-88.1000109.5E31 L33 I43 L45 M50 L53 P54 L56 I57 F60F29-E31 PolarHBondContact O-N 3.48Å; F29-L33 HydrophobicContact CE1-CB 3.9Å; F29-L33 HydrophobicContact CE1-CD1 3.77Å; F29-L33 HydrophobicContact CE1-CG 4.42Å; F29-L33 HydrophobicContact CE2-CD1 4.12Å; F29-L33 HydrophobicContact CZ-CB 4.2Å; F29-L33 HydrophobicContact CZ-CD1 3.55Å; F29-I43 HydrophobicContact CZ-CD1 4.48Å; F29-L45 HydrophobicContact CD2-CD1 3.61Å; F29-L45 HydrophobicContact CE2-CD1 3.79Å; F29-M50 HydrophobicContact CB-CE 3.72Å; F29-M50 HydrophobicContact CD2-CE 4.07Å; F29-M50 HydrophobicContact CG-CE 4.42Å; F29-L53 HydrophobicContact CD2-CD1 4.03Å; F29-L53 HydrophobicContact CE2-CD1 4.38Å; F29-P54 HydrophobicContact CB-CG 3.53Å; F29-P54 HydrophobicContact CD1-CG 3.93Å; F29-P54 HydrophobicContact CG-CG 3.75Å; F29-L56 HydrophobicContact CD1-CD2 4.34Å; F29-L56 HydrophobicContact CE1-CD2 4.09Å; F29-I57 HydrophobicContact CE2-CD1 4.23Å; F29-I57 HydrophobicContact CZ-CD1 4.43Å; F29-F60 HydrophobicContact CE1-CE2 4.1Å; F29-F60 HydrophobicContact CE1-CZ 4.08Å; F29-F60 AromaticContact CZ-CE2 3.8Å; F29-F60 HydrophobicContact CZ-CE2 3.8Å; F29-F60 AromaticContact CZ-CZ 3.86Å; F29-F60 HydrophobicContact CZ-CZ 3.86Å
30P90.4Very high91.8Very high12 Ų1264.2 Ų64.28%0.07835%0.347CS..  trans-63.5111.2-177.7-20.731.3000112.2L6 F19 L26 D32 L33L6-P30 HydrophobicContact CD1-CB 4.28Å; L6-P30 HydrophobicContact CD1-CG 4.45Å; F19-P30 HydrophobicContact CE1-CG 4.43Å; L26-P30 HydrophobicContact CD1-CG 4.3Å; P30-D32 PolarHBondContact O-N 3.31Å; P30-L33 HydrophobicContact CB-CD1 4.14Å; P30-L33 HydrophobicContact CB-CG 4.17Å; P30-L33 HydrophobicContact CG-CD1 4.2Å; P30-L33 WeakPolarHBondContact O-CB 3.32Å; P30-L33 WeakPolarHBondContact O-CG 3.38Å; P30-L33 PolarHBondContact O-N 2.84Å; P30-L33 VanDerWaalsContact O-N 3.08Å
31E87.3Confident92Very high150 Ų15066.3 Ų66.370%0.70135%0.35SS*.G310 helixtrans-60.3-30.7-177.6-65.1-166.6155.300113F29 L33 Q34F29-E31 PolarHBondContact O-N 3.48Å; E31-L33 PolarHBondContact O-N 3.1Å; E31-Q34 WeakPolarHBondContact O-CB 3.32Å; E31-Q34 PolarHBondContact O-N 3.45Å
32D89.2Confident92.2Very high61 Ų6167.6 Ų67.633%0.32636%0.359SS..G310 helixtrans-57.1-22.3176.5-80.4-53.9000113.7L10 P30 Q34 K35L10-D32 HydrophobicContact CD1-CB 3.64Å; L10-D32 HydrophobicContact CD2-CB 4.27Å; P30-D32 PolarHBondContact O-N 3.31Å; D32-Q34 PolarHBondContact O-N 3.23Å; D32-K35 WeakPolarHBondContact O-CB 3.32Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 IonicContact OD1-NZ 3.4Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å
33L90.1Very high92.4Very high0 Ų064.8 Ų64.80%034%0.341CS..G310 helixtrans-63.9-18.3174-66.6173.7000113L10 F19 F29 P30 E31 K35 L36 T37 L40 F60L10-L33 HydrophobicContact CD2-CD2 3.61Å; L10-L33 HydrophobicContact CD2-CG 4.33Å; F19-L33 HydrophobicContact CB-CD2 4.11Å; F19-L33 HydrophobicContact CD1-CD1 3.82Å; F19-L33 HydrophobicContact CD1-CD2 3.71Å; F19-L33 HydrophobicContact CD1-CG 4.37Å; F19-L33 HydrophobicContact CD2-CD2 3.51Å; F19-L33 HydrophobicContact CE1-CD1 3.81Å; F19-L33 HydrophobicContact CE1-CD2 3.92Å; F19-L33 HydrophobicContact CE1-CG 4.31Å; F19-L33 HydrophobicContact CE2-CD2 3.74Å; F19-L33 HydrophobicContact CG-CD1 4.43Å; F19-L33 HydrophobicContact CG-CD2 3.48Å; F19-L33 VanDerWaalsContact CG-CD2 3.48Å; F19-L33 HydrophobicContact CZ-CD1 4.41Å; F19-L33 HydrophobicContact CZ-CD2 3.93Å; F19-L33 HydrophobicContact CZ-CG 4.45Å; F29-L33 HydrophobicContact CE1-CB 3.9Å; F29-L33 HydrophobicContact CE1-CD1 3.77Å; F29-L33 HydrophobicContact CE1-CG 4.42Å; F29-L33 HydrophobicContact CE2-CD1 4.12Å; F29-L33 HydrophobicContact CZ-CB 4.2Å; F29-L33 HydrophobicContact CZ-CD1 3.55Å; P30-L33 HydrophobicContact CB-CD1 4.14Å; P30-L33 HydrophobicContact CB-CG 4.17Å; P30-L33 HydrophobicContact CG-CD1 4.2Å; P30-L33 WeakPolarHBondContact O-CB 3.32Å; P30-L33 WeakPolarHBondContact O-CG 3.38Å; P30-L33 PolarHBondContact O-N 2.84Å; P30-L33 VanDerWaalsContact O-N 3.08Å; E31-L33 PolarHBondContact O-N 3.1Å; L33-K35 PolarHBondContact O-N 2.83Å; L33-K35 VanDerWaalsContact O-N 3.14Å; L33-L36 HydrophobicContact CD2-CD1 4.46Å; L33-L36 PolarHBondContact O-N 2.85Å; L33-T37 PolarHBondContact O-N 3.21Å; L33-L40 HydrophobicContact CD2-CD1 3.94Å; L33-F60 HydrophobicContact CB-CE1 4.2Å; L33-F60 HydrophobicContact CB-CZ 3.82Å; L33-F60 WeakPolarHBondContact O-CE1 3.49Å; L33-F60 WeakPolarHBondContact O-CZ 3.19Å
34Q90.5Very high92.6Very high99 Ų9963.9 Ų63.946%0.46333%0.325SS..G310 helixtrans-52.8-35.1173.5-177.7170.92.800112E31 D32 L36 T37 L56E31-Q34 WeakPolarHBondContact O-CB 3.32Å; E31-Q34 PolarHBondContact O-N 3.45Å; D32-Q34 PolarHBondContact O-N 3.23Å; Q34-L36 PolarHBondContact O-N 2.78Å; Q34-T37 VanDerWaalsContact O-CG2 3.27Å; Q34-T37 WeakPolarHBondContact O-CG2 3.31Å; Q34-T37 PolarHBondContact O-N 3.34Å; Q34-T37 PolarHBondContact O-OG1 3.02Å; Q34-L56 HydrophobicContact CB-CD1 4.21Å; Q34-L56 HydrophobicContact CB-CD2 4.03Å; Q34-L56 HydrophobicContact CG-CD1 3.97Å
35K91.1Very high92.9Very high164 Ų16457.4 Ų57.471%0.71330%0.297SS*.G310 helixtrans-67.6-18.9179.7-62.9166.4-176156.40112.9D32 L33D32-K35 WeakPolarHBondContact O-CB 3.32Å; D32-K35 PolarHBondContact O-N 2.99Å; D32-K35 IonicContact OD1-NZ 3.4Å; D32-K35 PolarHBondContact OD1-NZ 3.45Å; L33-K35 PolarHBondContact O-N 2.83Å; L33-K35 VanDerWaalsContact O-N 3.14Å
36L91.6Very high93.2Very high17 Ų1756.1 Ų56.19%0.08928%0.282CS..G310 helixtrans-109.59.3-175.1-55.2-179.2000113.2L10 A13 Q14 L33 Q34 S38 N39 L40L10-L36 HydrophobicContact CD2-CD1 3.99Å; A13-L36 HydrophobicContact CB-CD1 3.98Å; Q14-L36 HydrophobicContact CB-CD2 3.83Å; Q14-L36 HydrophobicContact CG-CD2 3.95Å; L33-L36 HydrophobicContact CD2-CD1 4.46Å; L33-L36 PolarHBondContact O-N 2.85Å; Q34-L36 PolarHBondContact O-N 2.78Å; L36-S38 PolarHBondContact O-N 3.19Å; L36-S38 VanDerWaalsContact O-N 3.08Å; L36-N39 PolarHBondContact O-N 2.79Å; L36-L40 HydrophobicContact CB-CD1 3.96Å; L36-L40 HydrophobicContact CB-CD2 4.14Å; L36-L40 HydrophobicContact CB-CG 3.76Å; L36-L40 HydrophobicContact CD1-CD2 4.29Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.37Å; L36-L40 VanDerWaalsContact O-N 3.09Å
37T91.5Very high93.4Very high24 Ų2458.3 Ų58.315%0.14729%0.294CS..THydrogen-bonded Turntrans-53.7-30.9-177.8440000114.4L33 Q34 K59 F60L33-T37 PolarHBondContact O-N 3.21Å; Q34-T37 VanDerWaalsContact O-CG2 3.27Å; Q34-T37 WeakPolarHBondContact O-CG2 3.31Å; Q34-T37 PolarHBondContact O-N 3.34Å; Q34-T37 PolarHBondContact O-OG1 3.02Å; T37-K59 HydrophobicContact CG2-CB 3.79Å; T37-F60 HydrophobicContact CG2-CD1 3.91Å; T37-F60 HydrophobicContact CG2-CD2 4.15Å; T37-F60 HydrophobicContact CG2-CE1 3.67Å; T37-F60 HydrophobicContact CG2-CE2 3.97Å; T37-F60 HydrophobicContact CG2-CG 4.14Å; T37-F60 HydrophobicContact CG2-CZ 3.71Å
38S90.3Very high93.6Very high91 Ų9154.1 Ų54.164%0.63627%0.268SS*.THydrogen-bonded Turntrans-86.2-4.4-179.7-530000114.9L36 F62L36-S38 PolarHBondContact O-N 3.19Å; L36-S38 VanDerWaalsContact O-N 3.08Å; S38-F62 WeakPolarHBondContact O-CD2 3.32Å
39N92.1Very high93.8Very high63 Ų6353.3 Ų53.334%0.33726%0.262SS..THydrogen-bonded Turntrans-126.6-26.9-174.5-166.117.4000114.1Q14 L36 R41Q14-N39 PolarHBondContact O-ND2 2.84Å; L36-N39 PolarHBondContact O-N 2.79Å; N39-R41 PolarHBondContact O-N 3.45Å
40L95.9Very high94Very high0 Ų052.9 Ų52.90%026%0.261CS..  trans-68.4128.1-176.7-62.1-176.1000112.3A13 G17 F19 L33 L36 I43 F60 F62 L63A13-L40 HydrophobicContact CB-CD2 3.82Å; G17-L40 WeakPolarHBondContact O-CA 3.48Å; F19-L40 HydrophobicContact CB-CD1 4.09Å; F19-L40 HydrophobicContact CB-CD2 4.21Å; L33-L40 HydrophobicContact CD2-CD1 3.94Å; L36-L40 HydrophobicContact CB-CD1 3.96Å; L36-L40 HydrophobicContact CB-CD2 4.14Å; L36-L40 HydrophobicContact CB-CG 3.76Å; L36-L40 HydrophobicContact CD1-CD2 4.29Å; L36-L40 WeakPolarHBondContact O-CG 3.47Å; L36-L40 PolarHBondContact O-N 3.37Å; L36-L40 VanDerWaalsContact O-N 3.09Å; L40-I43 HydrophobicContact CB-CG1 4.43Å; L40-I43 HydrophobicContact CD1-CD1 3.97Å; L40-I43 HydrophobicContact CD1-CG1 3.9Å; L40-F60 HydrophobicContact CB-CD1 4.12Å; L40-F60 HydrophobicContact CD1-CD1 4.06Å; L40-F60 HydrophobicContact CD1-CE1 3.71Å; L40-F60 HydrophobicContact CG-CD1 4.47Å; L40-F60 HydrophobicContact CG-CE1 4.46Å; L40-F62 CarbonylContact O-C 3.26Å; L40-L63 HydrophobicContact CB-CD1 4.48Å; L40-L63 PolarHBondContact O-N 3.05Å
41R97.5Very high94.3Very high149 Ų14957.6 Ų57.656%0.56228%0.282SS*.SBendtrans-106.3-29.4173.6-61.5177.8-174.8-177.51.1111.4G17 N39 K64 S65G17-R41 PolarHBondContact O-N 3.22Å; N39-R41 PolarHBondContact O-N 3.45Å; R41-K64 WeakPolarHBondContact O-CA 3.47Å; R41-K64 PolarHBondContact O-N 3Å; R41-S65 PolarHBondContact O-N 2.98Å
42T97.9Very high94.7Very high35 Ų3556.2 Ų56.222%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-134.1132.7179.1-590000110.6G17 V18 F19 S65G17-T42 PolarHBondContact O-N 3.31Å; G17-T42 VanDerWaalsContact O-N 3.15Å; V18-T42 WeakPolarHBondContact CA-O 3.25Å; V18-T42 HydrophobicContact CG1-CG2 4.2Å; F19-T42 PolarHBondContact N-O 2.84Å; T42-S65 WeakPolarHBondContact CA-O 3.15Å
43I97.8Very high95.1Very high0 Ų053.5 Ų53.50%026%0.263CS..EExtended strand (participates in β ladder)trans-125.8124.3170.8-67.5170.3000107.9F19 F29 L40 L45 I57 F60 L63 S65 L66 V67F19-I43 CarbonylContact O-C 3.55Å; F19-I43 WeakPolarHBondContact O-CA 3.49Å; F29-I43 HydrophobicContact CZ-CD1 4.48Å; L40-I43 HydrophobicContact CB-CG1 4.43Å; L40-I43 HydrophobicContact CD1-CD1 3.97Å; L40-I43 HydrophobicContact CD1-CG1 3.9Å; I43-L45 HydrophobicContact CG2-CD1 4.08Å; I43-L45 HydrophobicContact CG2-CD2 4.45Å; I43-L45 HydrophobicContact CG2-CG 3.85Å; I43-I57 HydrophobicContact CD1-CD1 4.37Å; I43-F60 HydrophobicContact CD1-CD1 3.92Å; I43-F60 HydrophobicContact CD1-CD2 4.49Å; I43-F60 HydrophobicContact CD1-CE1 4.04Å; I43-F60 HydrophobicContact CD1-CG 4.18Å; I43-F60 HydrophobicContact CD1-CZ 4.35Å; I43-L63 HydrophobicContact CB-CD1 4.17Å; I43-L63 HydrophobicContact CD1-CD1 3.73Å; I43-L63 HydrophobicContact CD1-CD2 4.19Å; I43-L63 HydrophobicContact CG1-CD1 3.66Å; I43-S65 PolarHBondContact N-O 3Å; I43-L66 HydrophobicContact CB-CD1 3.91Å; I43-L66 HydrophobicContact CG2-CD1 3.89Å; I43-L66 WeakPolarHBondContact O-CA 3.17Å; I43-V67 PolarHBondContact O-N 3.15Å
44D97.8Very high95.4Very high31 Ų3155.2 Ų55.217%0.16627%0.274CS..EExtended strand (participates in β ladder)trans-122.4113.7170.6-170.9-8.3000110.5F19 Q20 L21 T22 S46 V67F19-D44 PolarHBondContact O-N 2.9Å; Q20-D44 CarbonylContact C-O 3.56Å; Q20-D44 WeakPolarHBondContact CA-O 3.41Å; Q20-D44 HydrophobicContact CB-CB 4.36Å; Q20-D44 HydrophobicContact CG-CB 3.97Å; L21-D44 PolarHBondContact N-O 2.78Å; T22-D44 HydrophobicContact CG2-CB 4.49Å; T22-D44 WeakPolarHBondContact CG2-OD1 3.47Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3.09Å; D44-S46 PolarHBondContact OD1-OG 3.41Å; D44-V67 WeakPolarHBondContact CA-O 3.36Å; D44-V67 HydrophobicContact CB-CB 4.13Å
45L96.9Very high95.7Very high0 Ų054 Ų540%028%0.275CS..  trans-120.932174.5-51.5171.9000110.8F19 L21 L26 F29 I43 N48 M50 V67 L68 N71F19-L45 HydrophobicContact CD1-CD2 3.93Å; F19-L45 HydrophobicContact CE1-CD2 3.58Å; L21-L45 HydrophobicContact CB-CD2 4.13Å; L26-L45 HydrophobicContact CD1-CD2 4.31Å; F29-L45 HydrophobicContact CD2-CD1 3.61Å; F29-L45 HydrophobicContact CE2-CD1 3.79Å; I43-L45 HydrophobicContact CG2-CD1 4.08Å; I43-L45 HydrophobicContact CG2-CD2 4.45Å; I43-L45 HydrophobicContact CG2-CG 3.85Å; L45-N48 VanDerWaalsContact C-ND2 3.32Å; L45-N48 PolarHBondContact O-ND2 3.14Å; L45-M50 HydrophobicContact CB-SD 4.1Å; L45-M50 HydrophobicContact CD1-CE 4.25Å; L45-M50 HydrophobicContact CD1-SD 3.81Å; L45-V67 PolarHBondContact N-O 3Å; L45-L68 HydrophobicContact CB-CD2 3.79Å; L45-L68 HydrophobicContact CD1-CD2 4.01Å; L45-L68 HydrophobicContact CG-CD2 4.2Å; L45-N71 PolarHBondContact O-ND2 3.34Å
46S97.8Very high95.9Very high6 Ų647.5 Ų47.54%0.04225%0.248CC..  trans-65.3154.4-177.1-56.90000113.4T22 G23 D44 N48 V67 N69T22-S46 WeakPolarHBondContact CA-O 3.28Å; T22-S46 VanDerWaalsContact CB-O 3.28Å; T22-S46 WeakPolarHBondContact CB-O 3.36Å; G23-S46 PolarHBondContact N-O 2.99Å; G23-S46 VanDerWaalsContact N-O 3.1Å; D44-S46 WeakPolarHBondContact OD1-CB 3.49Å; D44-S46 PolarHBondContact OD1-N 3.09Å; D44-S46 PolarHBondContact OD1-OG 3.41Å; S46-N48 VanDerWaalsContact C-N 3.34Å; S46-N48 PolarHBondContact O-N 3.44Å; S46-N48 PolarHBondContact O-ND2 3.08Å; S46-V67 WeakPolarHBondContact OG-CG1 3.23Å; S46-N69 CarbonylContact C-O 3.47Å; S46-N69 WeakPolarHBondContact CA-O 3.19Å; S46-N69 PolarHBondContact OG-N 2.77Å
47N97.7Very high96.2Very high83 Ų8346.7 Ų46.744%0.44424%0.244SC..SBendtrans59.942.1178.3-49.5-67.9000112.6G23 N69 N70G23-N47 WeakPolarHBondContact CA-O 3.13Å; G23-N47 PolarHBondContact N-O 2.88Å; N47-N69 PolarHBondContact N-O 2.62Å; N47-N70 VanDerWaalsContact CA-O 3.32Å; N47-N70 WeakPolarHBondContact CA-O 3.46Å; N47-N70 PolarHBondContact N-O 2.9Å; N47-N70 WeakPolarHBondContact OD1-CB 3.34Å; N47-N70 PolarHBondContact OD1-ND2 2.85Å
48N96.6Very high96.4Very high9 Ų946.1 Ų46.15%0.04824%0.242CC..SBendtrans-113.2-163.5173.1-75.9-61.1000109.5L21 K24 G25 L26 L45 S46 M50 N70 N71L21-N48 PolarHBondContact O-ND2 2.92Å; K24-N48 PolarHBondContact N-OD1 2.88Å; G25-N48 PolarHBondContact N-OD1 3.22Å; L26-N48 HydrophobicContact CB-CB 3.98Å; L26-N48 WeakPolarHBondContact CG-OD1 3.49Å; L26-N48 PolarHBondContact N-OD1 2.9Å; L45-N48 VanDerWaalsContact C-ND2 3.32Å; L45-N48 PolarHBondContact O-ND2 3.14Å; S46-N48 VanDerWaalsContact C-N 3.34Å; S46-N48 PolarHBondContact O-N 3.44Å; S46-N48 PolarHBondContact O-ND2 3.08Å; N48-M50 HydrophobicContact CB-CG 4.45Å; N48-N70 PolarHBondContact N-O 3.5Å; N48-N70 VanDerWaalsContact O-O 3.13Å; N48-N71 WeakPolarHBondContact CA-OD1 3.48Å; N48-N71 WeakPolarHBondContact CB-OD1 3.27Å; N48-N71 PolarHBondContact O-OD1 3.27Å
49K97.2Very high96.7Very high116 Ų11647.6 Ų47.650%0.50424%0.238SC..  trans-124.228.2-176.3-62.1-179.6-179.41790111L26 T27 E51 N71L26-K49 CarbonylContact O-C 3.46Å; L26-K49 VanDerWaalsContact O-C 3.22Å; L26-K49 VanDerWaalsContact O-CA 3.32Å; L26-K49 WeakPolarHBondContact O-CA 3.37Å; L26-K49 PolarHBondContact O-N 3.32Å; T27-K49 HydrophobicContact CG2-CB 4.43Å; K49-E51 PolarHBondContact O-N 3.45Å; K49-N71 PolarHBondContact N-OD1 3.14Å
50M96.9Very high96.9Very high0 Ų044.6 Ų44.60%022%0.222CC..  trans-70.7127.2-175.9-64.2176.156.700110.9L26 T27 F29 L45 N48 N71 K72 L73L26-M50 PolarHBondContact O-N 2.84Å; T27-M50 WeakPolarHBondContact O-CA 3.36Å; F29-M50 HydrophobicContact CB-CE 3.72Å; F29-M50 HydrophobicContact CD2-CE 4.07Å; F29-M50 HydrophobicContact CG-CE 4.42Å; L45-M50 HydrophobicContact CB-SD 4.1Å; L45-M50 HydrophobicContact CD1-CE 4.25Å; L45-M50 HydrophobicContact CD1-SD 3.81Å; N48-M50 HydrophobicContact CB-CG 4.45Å; M50-N71 HydrophobicContact CB-CB 4.39Å; M50-N71 WeakPolarHBondContact CB-OD1 3.09Å; M50-N71 PolarHBondContact N-OD1 3.38Å; M50-K72 CarbonylContact O-C 3.22Å; M50-K72 VanDerWaalsContact O-C 3.25Å; M50-K72 VanDerWaalsContact O-CA 3.32Å; M50-K72 WeakPolarHBondContact O-CA 3.31Å; M50-K72 PolarHBondContact O-N 2.86Å; M50-L73 HydrophobicContact CB-CD2 4.3Å; M50-L73 PolarHBondContact O-N 2.99Å
51E96.7Very high96.8Very high112 Ų11247.5 Ų47.552%0.52324%0.242SC..  trans-96.6-25.5177.6-67.3-179-170.900112.3K49 K72K49-E51 PolarHBondContact O-N 3.45Å; E51-K72 HydrophobicContact CG-CB 3.82Å; E51-K72 HydrophobicContact CG-CD 4.23Å
52I96.3Very high96.7Very high121 Ų12144.6 Ų44.662%0.62123%0.233SC*.  trans-133134.4-176.5-57.4174.8000109.4
53L97.3Very high96.7Very high4 Ų442.9 Ų42.92%0.02122%0.223CC..  trans-95.6117.2164.7-179.566.9000107.7F29 I57 L66 L68 L73 L76 P77 L80F29-L53 HydrophobicContact CD2-CD1 4.03Å; F29-L53 HydrophobicContact CE2-CD1 4.38Å; L53-I57 HydrophobicContact CD1-CB 4.18Å; L53-I57 HydrophobicContact CD1-CD1 4.41Å; L53-I57 HydrophobicContact CD1-CG1 4.2Å; L53-I57 HydrophobicContact CD2-CB 4.35Å; L53-I57 HydrophobicContact CD2-CG1 4.19Å; L53-I57 HydrophobicContact CD2-CG2 4.05Å; L53-I57 HydrophobicContact CG-CB 4.15Å; L53-I57 HydrophobicContact CG-CG1 4.39Å; L53-I57 HydrophobicContact CG-CG2 4.06Å; L53-L66 HydrophobicContact CD2-CD2 4.42Å; L53-L68 HydrophobicContact CD1-CD1 3.88Å; L53-L68 HydrophobicContact CD2-CD1 3.81Å; L53-L68 HydrophobicContact CG-CD1 4.4Å; L53-L73 HydrophobicContact CB-CD2 4.17Å; L53-L76 HydrophobicContact CD2-CD2 4.22Å; L53-P77 HydrophobicContact CB-CG 4.46Å; L53-P77 HydrophobicContact CD2-CG 4.33Å; L53-P77 HydrophobicContact CG-CG 4.24Å; L53-P77 WeakPolarHBondContact O-CD 3.47Å; L53-P77 WeakPolarHBondContact O-CG 3.37Å; L53-L80 HydrophobicContact CD2-CD1 4.28Å
54P96.7Very high96.8Very high35 Ų3547.2 Ų47.223%0.22724%0.242CC..  trans-71.7155.1-173.929.4-37.6000112.3F29 L56 I57F29-P54 HydrophobicContact CB-CG 3.53Å; F29-P54 HydrophobicContact CD1-CG 3.93Å; F29-P54 HydrophobicContact CG-CG 3.75Å; P54-L56 HydrophobicContact CB-CB 4.36Å; P54-L56 HydrophobicContact CG-CB 4.27Å; P54-L56 PolarHBondContact O-N 3.38Å; P54-I57 WeakPolarHBondContact O-CG2 3.23Å; P54-I57 PolarHBondContact O-N 3.08Å
55P96.4Very high96.8Very high73 Ų7346.9 Ų46.947%0.47424%0.242SC..G310 helixtrans-51.7-23.7172-31.338.2000114.8I57 G58 P77 E79P55-I57 PolarHBondContact O-N 3.04Å; P55-G58 PolarHBondContact O-N 2.91Å; P55-P77 HydrophobicContact CG-CB 4.5Å; P55-E79 HydrophobicContact CB-CB 4.34Å; P55-E79 HydrophobicContact CB-CG 3.84Å; P55-E79 VanDerWaalsContact O-CB 3.26Å; P55-E79 WeakPolarHBondContact O-CB 3.16Å
56L95.9Very high96.9Very high28 Ų2846.9 Ų46.915%0.14724%0.242CC..G310 helixtrans-51.5-28.5174.2178.962.8000112.6F29 Q34 P54 G58 K59 F60F29-L56 HydrophobicContact CD1-CD2 4.34Å; F29-L56 HydrophobicContact CE1-CD2 4.09Å; Q34-L56 HydrophobicContact CB-CD1 4.21Å; Q34-L56 HydrophobicContact CB-CD2 4.03Å; Q34-L56 HydrophobicContact CG-CD1 3.97Å; P54-L56 HydrophobicContact CB-CB 4.36Å; P54-L56 HydrophobicContact CG-CB 4.27Å; P54-L56 PolarHBondContact O-N 3.38Å; L56-G58 PolarHBondContact O-N 2.77Å; L56-G58 VanDerWaalsContact O-N 3.11Å; L56-K59 HydrophobicContact CD1-CB 4.34Å; L56-K59 HydrophobicContact CD1-CD 3.73Å; L56-K59 HydrophobicContact CD1-CG 4.13Å; L56-K59 WeakPolarHBondContact O-CB 3.16Å; L56-K59 PolarHBondContact O-N 3.39Å; L56-F60 HydrophobicContact CG-CE2 4.23Å
57I96.8Very high96.9Very high0 Ų047.3 Ų47.30%024%0.244CC..G310 helixtrans-55.6-30.5178.3-164.858.8000112.6F29 I43 L53 P54 P55 K59 F60 L63 L66 P77 L80 L83F29-I57 HydrophobicContact CE2-CD1 4.23Å; F29-I57 HydrophobicContact CZ-CD1 4.43Å; I43-I57 HydrophobicContact CD1-CD1 4.37Å; L53-I57 HydrophobicContact CD1-CB 4.18Å; L53-I57 HydrophobicContact CD1-CD1 4.41Å; L53-I57 HydrophobicContact CD1-CG1 4.2Å; L53-I57 HydrophobicContact CD2-CB 4.35Å; L53-I57 HydrophobicContact CD2-CG1 4.19Å; L53-I57 HydrophobicContact CD2-CG2 4.05Å; L53-I57 HydrophobicContact CG-CB 4.15Å; L53-I57 HydrophobicContact CG-CG1 4.39Å; L53-I57 HydrophobicContact CG-CG2 4.06Å; P54-I57 WeakPolarHBondContact O-CG2 3.23Å; P54-I57 PolarHBondContact O-N 3.08Å; P55-I57 PolarHBondContact O-N 3.04Å; I57-K59 PolarHBondContact O-N 2.83Å; I57-F60 HydrophobicContact CD1-CD2 3.99Å; I57-F60 HydrophobicContact CD1-CE2 4.36Å; I57-F60 WeakPolarHBondContact O-CD2 3.41Å; I57-F60 PolarHBondContact O-N 3.34Å; I57-L63 HydrophobicContact CD1-CD2 4.19Å; I57-L66 HydrophobicContact CD1-CD1 4.23Å; I57-L66 HydrophobicContact CD1-CD2 4.07Å; I57-L66 HydrophobicContact CG1-CD2 4.02Å; I57-P77 HydrophobicContact CG2-CG 3.71Å; I57-L80 HydrophobicContact CG1-CD1 4.05Å; I57-L80 HydrophobicContact CG2-CB 4.33Å; I57-L80 HydrophobicContact CG2-CD1 4.21Å; I57-L83 HydrophobicContact CG1-CD1 4.25Å; I57-L83 WeakPolarHBondContact O-CD2 3.31Å
58G95.9Very high97Very high12 Ų1243.4 Ų43.412%0.12422%0.223CC..G310 helixtrans-69.6-10.6177.800000114.8P55 L56 E79P55-G58 PolarHBondContact O-N 2.91Å; L56-G58 PolarHBondContact O-N 2.77Å; L56-G58 VanDerWaalsContact O-N 3.11Å; G58-E79 WeakPolarHBondContact CA-O 3.18Å
59K96.6Very high97.1Very high123 Ų12344.3 Ų44.354%0.53523%0.228SC..G310 helixtrans-82-15.1177-61.3-163.4-171.4173.90113.4T37 L56 I57 S61T37-K59 HydrophobicContact CG2-CB 3.79Å; L56-K59 HydrophobicContact CD1-CB 4.34Å; L56-K59 HydrophobicContact CD1-CD 3.73Å; L56-K59 HydrophobicContact CD1-CG 4.13Å; L56-K59 WeakPolarHBondContact O-CB 3.16Å; L56-K59 PolarHBondContact O-N 3.39Å; I57-K59 PolarHBondContact O-N 2.83Å; K59-S61 PolarHBondContact O-N 3.01Å
60F96.6Very high97.1Very high0 Ų042.6 Ų42.60%023%0.225CC..  trans-8064.9-178.5-63.1-92.2000111.4F29 L33 T37 L40 I43 L56 I57 F62 L63 L83F29-F60 HydrophobicContact CE1-CE2 4.1Å; F29-F60 HydrophobicContact CE1-CZ 4.08Å; F29-F60 AromaticContact CZ-CE2 3.8Å; F29-F60 HydrophobicContact CZ-CE2 3.8Å; F29-F60 AromaticContact CZ-CZ 3.86Å; F29-F60 HydrophobicContact CZ-CZ 3.86Å; L33-F60 HydrophobicContact CB-CE1 4.2Å; L33-F60 HydrophobicContact CB-CZ 3.82Å; L33-F60 WeakPolarHBondContact O-CE1 3.49Å; L33-F60 WeakPolarHBondContact O-CZ 3.19Å; T37-F60 HydrophobicContact CG2-CD1 3.91Å; T37-F60 HydrophobicContact CG2-CD2 4.15Å; T37-F60 HydrophobicContact CG2-CE1 3.67Å; T37-F60 HydrophobicContact CG2-CE2 3.97Å; T37-F60 HydrophobicContact CG2-CG 4.14Å; T37-F60 HydrophobicContact CG2-CZ 3.71Å; L40-F60 HydrophobicContact CB-CD1 4.12Å; L40-F60 HydrophobicContact CD1-CD1 4.06Å; L40-F60 HydrophobicContact CD1-CE1 3.71Å; L40-F60 HydrophobicContact CG-CD1 4.47Å; L40-F60 HydrophobicContact CG-CE1 4.46Å; I43-F60 HydrophobicContact CD1-CD1 3.92Å; I43-F60 HydrophobicContact CD1-CD2 4.49Å; I43-F60 HydrophobicContact CD1-CE1 4.04Å; I43-F60 HydrophobicContact CD1-CG 4.18Å; I43-F60 HydrophobicContact CD1-CZ 4.35Å; L56-F60 HydrophobicContact CG-CE2 4.23Å; I57-F60 HydrophobicContact CD1-CD2 3.99Å; I57-F60 HydrophobicContact CD1-CE2 4.36Å; I57-F60 WeakPolarHBondContact O-CD2 3.41Å; I57-F60 PolarHBondContact O-N 3.34Å; F60-F62 PolarHBondContact O-N 3.44Å; F60-L63 HydrophobicContact CB-CB 3.97Å; F60-L63 HydrophobicContact CB-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.47Å; F60-L63 PolarHBondContact O-N 2.79Å; F60-L83 HydrophobicContact CB-CD2 4.39Å; F60-L83 WeakPolarHBondContact O-CD2 3.37Å
61S93.8Very high97.2Very high61 Ų6143 Ų4343%0.42723%0.227SC..THydrogen-bonded Turntrans-61.6-15-170.461.10000115.4K59 K85K59-S61 PolarHBondContact O-N 3.01Å; S61-K85 WeakPolarHBondContact O-CD 3.24Å
62F96Very high97.3Very high87 Ų8742 Ų4238%0.38222%0.221SC..THydrogen-bonded Turntrans-99.30.3176-66.1-86.8000114.1S38 L40 F60 K64 K85S38-F62 WeakPolarHBondContact O-CD2 3.32Å; L40-F62 CarbonylContact O-C 3.26Å; F60-F62 PolarHBondContact O-N 3.44Å; F62-K64 PolarHBondContact O-N 3.27Å; F62-K85 VanDerWaalsContact CE1-NZ 3.33Å
63L98.1Very high97.4Very high0 Ų036.2 Ų36.20%019%0.191CC..  trans-65.9125.6-177.3-159.871.6000110.6L40 I43 I57 F60 L66 L83 K85 L86L40-L63 HydrophobicContact CB-CD1 4.48Å; L40-L63 PolarHBondContact O-N 3.05Å; I43-L63 HydrophobicContact CB-CD1 4.17Å; I43-L63 HydrophobicContact CD1-CD1 3.73Å; I43-L63 HydrophobicContact CD1-CD2 4.19Å; I43-L63 HydrophobicContact CG1-CD1 3.66Å; I57-L63 HydrophobicContact CD1-CD2 4.19Å; F60-L63 HydrophobicContact CB-CB 3.97Å; F60-L63 HydrophobicContact CB-CD2 4.44Å; F60-L63 WeakPolarHBondContact O-CB 3.47Å; F60-L63 PolarHBondContact O-N 2.79Å; L63-L66 HydrophobicContact CD2-CB 3.91Å; L63-L66 HydrophobicContact CD2-CD1 4.26Å; L63-L66 HydrophobicContact CD2-CD2 4.42Å; L63-L66 HydrophobicContact CD2-CG 4.43Å; L63-L83 HydrophobicContact CB-CD1 4.43Å; L63-L83 HydrophobicContact CD2-CD1 3.82Å; L63-K85 CarbonylContact O-C 3.28Å; L63-L86 HydrophobicContact CD2-CD1 4.21Å; L63-L86 HydrophobicContact CG-CD1 4.23Å; L63-L86 WeakPolarHBondContact O-CA 3.5Å; L63-L86 PolarHBondContact O-N 3.02Å
64K98.3Very high97.4Very high91 Ų9140 Ų4040%0.39622%0.215SC..  trans-107.4-31.5176.8-68.2-174.3163.2-124.70112.3R41 F62 K85 E87 T88R41-K64 WeakPolarHBondContact O-CA 3.47Å; R41-K64 PolarHBondContact O-N 3Å; F62-K64 PolarHBondContact O-N 3.27Å; K64-K85 WeakPolarHBondContact CA-O 3.5Å; K64-E87 IonicContact NZ-OE1 2.78Å; K64-E87 PolarHBondContact NZ-OE1 2.96Å; K64-E87 PolarHBondContact O-N 3.33Å; K64-T88 PolarHBondContact O-N 3.44Å
65S98.6Very high97.4Very high23 Ų2340.9 Ų40.916%0.16122%0.224CC..EExtended strand (participates in β ladder)trans-134.6126.7-178.3-178.80000110.9R41 T42 I43 T88R41-S65 PolarHBondContact O-N 2.98Å; T42-S65 WeakPolarHBondContact CA-O 3.15Å; I43-S65 PolarHBondContact N-O 3Å; S65-T88 WeakPolarHBondContact CA-O 3.41Å
66L98.6Very high97.5Very high0 Ų038.2 Ų38.20%021%0.206CC..EExtended strand (participates in β ladder)trans-125.8118.3174.3-179.858.7000109.2I43 L53 I57 L63 L68 L80 L86 T88 L89 H90I43-L66 HydrophobicContact CB-CD1 3.91Å; I43-L66 HydrophobicContact CG2-CD1 3.89Å; I43-L66 WeakPolarHBondContact O-CA 3.17Å; L53-L66 HydrophobicContact CD2-CD2 4.42Å; I57-L66 HydrophobicContact CD1-CD1 4.23Å; I57-L66 HydrophobicContact CD1-CD2 4.07Å; I57-L66 HydrophobicContact CG1-CD2 4.02Å; L63-L66 HydrophobicContact CD2-CB 3.91Å; L63-L66 HydrophobicContact CD2-CD1 4.26Å; L63-L66 HydrophobicContact CD2-CD2 4.42Å; L63-L66 HydrophobicContact CD2-CG 4.43Å; L66-L68 HydrophobicContact CD1-CD1 4Å; L66-L68 HydrophobicContact CD1-CD2 4.15Å; L66-L68 HydrophobicContact CD1-CG 3.88Å; L66-L68 HydrophobicContact CD2-CD1 3.9Å; L66-L68 HydrophobicContact CG-CD1 3.89Å; L66-L68 HydrophobicContact CG-CG 3.99Å; L66-L80 HydrophobicContact CD2-CD1 3.73Å; L66-L86 HydrophobicContact CB-CD1 3.92Å; L66-T88 PolarHBondContact N-O 3.28Å; L66-L89 HydrophobicContact CB-CD1 3.93Å; L66-L89 HydrophobicContact CD2-CD1 3.91Å; L66-L89 HydrophobicContact CG-CD1 3.99Å; L66-L89 WeakPolarHBondContact O-CA 3.46Å; L66-H90 PolarHBondContact O-N 3.38Å
67V98.7Very high97.6Very high16 Ų1637.7 Ų37.710%0.09720%0.204CC..EExtended strand (participates in β ladder)trans-120114.7-178.2-166.80000108.7I43 D44 L45 S46 H90I43-V67 PolarHBondContact O-N 3.15Å; D44-V67 WeakPolarHBondContact CA-O 3.36Å; D44-V67 HydrophobicContact CB-CB 4.13Å; L45-V67 PolarHBondContact N-O 3Å; S46-V67 WeakPolarHBondContact OG-CG1 3.23Å; V67-H90 HydrophobicContact CB-CB 4.46Å; V67-H90 HydrophobicContact CG1-CB 3.9Å
68L98.3Very high97.6Very high0 Ų042 Ų420%023%0.225CC..  trans-131.830.3-175.1-65.2174.6000110.9L45 L53 L66 N71 L73 H90 L91 N94L45-L68 HydrophobicContact CB-CD2 3.79Å; L45-L68 HydrophobicContact CD1-CD2 4.01Å; L45-L68 HydrophobicContact CG-CD2 4.2Å; L53-L68 HydrophobicContact CD1-CD1 3.88Å; L53-L68 HydrophobicContact CD2-CD1 3.81Å; L53-L68 HydrophobicContact CG-CD1 4.4Å; L66-L68 HydrophobicContact CD1-CD1 4Å; L66-L68 HydrophobicContact CD1-CD2 4.15Å; L66-L68 HydrophobicContact CD1-CG 3.88Å; L66-L68 HydrophobicContact CD2-CD1 3.9Å; L66-L68 HydrophobicContact CG-CD1 3.89Å; L66-L68 HydrophobicContact CG-CG 3.99Å; L68-N71 PolarHBondContact O-ND2 2.86Å; L68-N71 VanDerWaalsContact O-ND2 3.14Å; L68-L73 HydrophobicContact CB-CD1 4.1Å; L68-L73 HydrophobicContact CD1-CD1 3.99Å; L68-H90 PolarHBondContact N-O 3.36Å; L68-L91 HydrophobicContact CB-CD2 3.86Å; L68-L91 HydrophobicContact CD1-CD2 4.06Å; L68-N94 PolarHBondContact O-ND2 3.43Å
69N98.6Very high97.7Very high28 Ų2844.2 Ų44.215%0.1523%0.232CC..  trans-62150.3-177.2-65.9-32.2000111.6S46 N47 N71 H90 L91 N92S46-N69 CarbonylContact C-O 3.47Å; S46-N69 WeakPolarHBondContact CA-O 3.19Å; S46-N69 PolarHBondContact OG-N 2.77Å; N47-N69 PolarHBondContact N-O 2.62Å; N69-N71 PolarHBondContact O-N 2.92Å; N69-N71 PolarHBondContact O-ND2 3.34Å; N69-H90 VanDerWaalsContact OD1-C 3.25Å; N69-H90 VanDerWaalsContact OD1-CB 3.3Å; N69-H90 WeakPolarHBondContact OD1-CB 3.49Å; N69-H90 PolarHBondContact OD1-O 3.27Å; N69-L91 PolarHBondContact OD1-N 2.79Å; N69-N92 CarbonylContact C-O 3.53Å; N69-N92 VanDerWaalsContact CA-O 3.23Å; N69-N92 WeakPolarHBondContact CA-O 3.4Å; N69-N92 HydrophobicContact CB-CB 4.47Å; N69-N92 WeakPolarHBondContact OD1-CB 3.32Å; N69-N92 PolarHBondContact OD1-N 2.78Å
70N98.5Very high97.8Very high81 Ų8138.4 Ų38.443%0.43321%0.206SC..SBendtrans5256.8175-55.8-32.5000111.7N47 N48 N92 G93N47-N70 VanDerWaalsContact CA-O 3.32Å; N47-N70 WeakPolarHBondContact CA-O 3.46Å; N47-N70 PolarHBondContact N-O 2.9Å; N47-N70 WeakPolarHBondContact OD1-CB 3.34Å; N47-N70 PolarHBondContact OD1-ND2 2.85Å; N48-N70 PolarHBondContact N-O 3.5Å; N48-N70 VanDerWaalsContact O-O 3.13Å; N70-N92 PolarHBondContact N-O 3.36Å; N70-G93 VanDerWaalsContact CA-O 3.31Å; N70-G93 WeakPolarHBondContact CA-O 3.06Å
71N98.4Very high97.8Very high8 Ų838.5 Ų38.54%0.04321%0.207CC..SBendtrans-119.9-164.6169.5-84.6-76000108.2L45 N48 K49 M50 L68 N69 L73 G93 N94L45-N71 PolarHBondContact O-ND2 3.34Å; N48-N71 WeakPolarHBondContact CA-OD1 3.48Å; N48-N71 WeakPolarHBondContact CB-OD1 3.27Å; N48-N71 PolarHBondContact O-OD1 3.27Å; K49-N71 PolarHBondContact N-OD1 3.14Å; M50-N71 HydrophobicContact CB-CB 4.39Å; M50-N71 WeakPolarHBondContact CB-OD1 3.09Å; M50-N71 PolarHBondContact N-OD1 3.38Å; L68-N71 PolarHBondContact O-ND2 2.86Å; L68-N71 VanDerWaalsContact O-ND2 3.14Å; N69-N71 PolarHBondContact O-N 2.92Å; N69-N71 PolarHBondContact O-ND2 3.34Å; N71-L73 HydrophobicContact CB-CG 4.23Å; N71-G93 PolarHBondContact N-O 2.74Å; N71-G93 VanDerWaalsContact O-O 3.07Å; N71-N94 WeakPolarHBondContact CA-OD1 3.36Å; N71-N94 WeakPolarHBondContact CB-OD1 3.39Å; N71-N94 PolarHBondContact O-OD1 2.77Å
72K98.3Very high98Very high91 Ų9141.7 Ų41.740%0.39621%0.213SC..  trans-119.426.9180-62.5-175.9177.4-173.20111.9M50 E51 T74 N94M50-K72 CarbonylContact O-C 3.22Å; M50-K72 VanDerWaalsContact O-C 3.25Å; M50-K72 VanDerWaalsContact O-CA 3.32Å; M50-K72 WeakPolarHBondContact O-CA 3.31Å; M50-K72 PolarHBondContact O-N 2.86Å; E51-K72 HydrophobicContact CG-CB 3.82Å; E51-K72 HydrophobicContact CG-CD 4.23Å; K72-T74 PolarHBondContact O-N 3.49Å; K72-N94 PolarHBondContact N-OD1 3.33Å
73L98.4Very high98.1Very high0 Ų037.5 Ų37.50%020%0.195CC..  trans-63.4124.3-174.7-60.8174000110.2M50 L53 L68 N71 L91 N94 H95 L96M50-L73 HydrophobicContact CB-CD2 4.3Å; M50-L73 PolarHBondContact O-N 2.99Å; L53-L73 HydrophobicContact CB-CD2 4.17Å; L68-L73 HydrophobicContact CB-CD1 4.1Å; L68-L73 HydrophobicContact CD1-CD1 3.99Å; N71-L73 HydrophobicContact CB-CG 4.23Å; L73-L91 HydrophobicContact CD1-CD2 3.81Å; L73-N94 HydrophobicContact CB-CB 4.24Å; L73-N94 VanDerWaalsContact CB-OD1 3.32Å; L73-N94 WeakPolarHBondContact CB-OD1 3.39Å; L73-N94 WeakPolarHBondContact CG-OD1 3.19Å; L73-N94 PolarHBondContact N-OD1 3.46Å; L73-H95 CarbonylContact O-C 3.25Å; L73-H95 VanDerWaalsContact O-CA 3.31Å; L73-H95 WeakPolarHBondContact O-CA 3.46Å; L73-H95 PolarHBondContact O-N 2.81Å; L73-L96 HydrophobicContact CB-CD2 4.22Å; L73-L96 PolarHBondContact O-N 2.8Å
74T97.8Very high97.9Very high84 Ų8441.9 Ų41.952%0.51521%0.214SC..  trans-97.3-25.4178.254.70000112.7K72 H95K72-T74 PolarHBondContact O-N 3.49Å; T74-H95 HydrophobicContact CG2-CB 4.15Å
75A97.4Very high97.9Very high52 Ų5242 Ų4243%0.4321%0.214SC..  trans-148.7165176.200000111
76L98.3Very high97.9Very high17 Ų1740.9 Ų40.99%0.08921%0.207CC..  trans-111.4144.2170.8-58171.6000109L53 L80 L91 L96 L99 P100 F103L53-L76 HydrophobicContact CD2-CD2 4.22Å; L76-L80 HydrophobicContact CB-CD2 4.15Å; L76-L80 HydrophobicContact CD1-CD2 3.78Å; L76-L80 HydrophobicContact CD2-CD2 4.38Å; L76-L80 HydrophobicContact CG-CD2 4.32Å; L76-L91 HydrophobicContact CD1-CD1 3.62Å; L76-L91 HydrophobicContact CD2-CD1 3.99Å; L76-L91 HydrophobicContact CD2-CD2 3.91Å; L76-L91 HydrophobicContact CG-CD1 4.4Å; L76-L96 HydrophobicContact CD1-CD1 4.35Å; L76-L96 HydrophobicContact CD2-CD1 4.49Å; L76-L96 HydrophobicContact CD2-CD2 4.22Å; L76-L96 HydrophobicContact CG-CD1 4.37Å; L76-L96 HydrophobicContact CG-CD2 3.98Å; L76-L99 HydrophobicContact CD1-CD2 3.98Å; L76-P100 HydrophobicContact CB-CG 3.75Å; L76-F103 HydrophobicContact CD1-CE2 4.18Å
77P97.7Very high97.9Very high18 Ų1843.2 Ų43.212%0.11722%0.217CC..  trans-70.8147.9174.831.3-35.9000110.9L53 P55 I57 E79 L80L53-P77 HydrophobicContact CB-CG 4.46Å; L53-P77 HydrophobicContact CD2-CG 4.33Å; L53-P77 HydrophobicContact CG-CG 4.24Å; L53-P77 WeakPolarHBondContact O-CD 3.47Å; L53-P77 WeakPolarHBondContact O-CG 3.37Å; P55-P77 HydrophobicContact CG-CB 4.5Å; I57-P77 HydrophobicContact CG2-CG 3.71Å; P77-E79 PolarHBondContact O-N 2.83Å; P77-L80 HydrophobicContact CG-CB 4.46Å; P77-L80 VanDerWaalsContact O-CB 3.25Å; P77-L80 WeakPolarHBondContact O-CB 3.3Å; P77-L80 PolarHBondContact O-N 2.94Å
78E97.7Very high97.9Very high91 Ų9144.1 Ų44.143%0.42522%0.223SC..G310 helixtrans-60.4-27.8174.4-73.6-66.7163.500111.8L80 C81 P100 A101 A102E78-L80 PolarHBondContact O-N 3.18Å; E78-C81 VanDerWaalsContact O-CB 3.23Å; E78-C81 WeakPolarHBondContact O-CB 3.39Å; E78-C81 PolarHBondContact O-N 3.43Å; E78-C81 PolarHBondContact O-SG 3.32Å; E78-P100 HydrophobicContact CG-CB 4.49Å; E78-P100 WeakPolarHBondContact OE1-CA 3.1Å; E78-P100 WeakPolarHBondContact OE1-CB 3.4Å; E78-P100 WeakPolarHBondContact OE2-CB 3.18Å; E78-A101 PolarHBondContact OE1-N 2.99Å; E78-A102 PolarHBondContact OE2-N 2.93Å
79E97.9Very high97.9Very high58 Ų5844.1 Ų44.127%0.27122%0.223SC..G310 helixtrans-60.8-23.1175.8-72.673.5-161.800113.7P55 G58 P77 C81 K82P55-E79 HydrophobicContact CB-CB 4.34Å; P55-E79 HydrophobicContact CB-CG 3.84Å; P55-E79 VanDerWaalsContact O-CB 3.26Å; P55-E79 WeakPolarHBondContact O-CB 3.16Å; G58-E79 WeakPolarHBondContact CA-O 3.18Å; P77-E79 PolarHBondContact O-N 2.83Å; E79-C81 PolarHBondContact O-N 2.79Å; E79-K82 HydrophobicContact CB-CD 4.43Å; E79-K82 HydrophobicContact CG-CD 4.41Å; E79-K82 VanDerWaalsContact O-CB 3.26Å; E79-K82 WeakPolarHBondContact O-CB 3.29Å; E79-K82 WeakPolarHBondContact O-CG 3.1Å; E79-K82 PolarHBondContact O-N 3.01Å
80L98.1Very high97.9Very high0 Ų045 Ų450%023%0.227CC..G310 helixtrans-55.8-35.6173.4-175.671.1000110.9L53 I57 L66 L76 P77 E78 K82 L83 L89 F103 L106L53-L80 HydrophobicContact CD2-CD1 4.28Å; I57-L80 HydrophobicContact CG1-CD1 4.05Å; I57-L80 HydrophobicContact CG2-CB 4.33Å; I57-L80 HydrophobicContact CG2-CD1 4.21Å; L66-L80 HydrophobicContact CD2-CD1 3.73Å; L76-L80 HydrophobicContact CB-CD2 4.15Å; L76-L80 HydrophobicContact CD1-CD2 3.78Å; L76-L80 HydrophobicContact CD2-CD2 4.38Å; L76-L80 HydrophobicContact CG-CD2 4.32Å; P77-L80 HydrophobicContact CG-CB 4.46Å; P77-L80 VanDerWaalsContact O-CB 3.25Å; P77-L80 WeakPolarHBondContact O-CB 3.3Å; P77-L80 PolarHBondContact O-N 2.94Å; E78-L80 PolarHBondContact O-N 3.18Å; L80-K82 PolarHBondContact O-N 3.02Å; L80-K82 VanDerWaalsContact O-N 3.07Å; L80-L83 HydrophobicContact CD1-CD1 3.85Å; L80-L83 WeakPolarHBondContact O-CB 3.32Å; L80-L83 WeakPolarHBondContact O-CG 3.39Å; L80-L83 PolarHBondContact O-N 3.21Å; L80-L83 VanDerWaalsContact O-N 3.08Å; L80-L89 HydrophobicContact CD2-CD2 4.09Å; L80-F103 HydrophobicContact CD2-CE2 4.22Å; L80-L106 WeakPolarHBondContact O-CD2 3.47Å
81C97Very high97.9Very high3 Ų341.2 Ų41.22%0.0221%0.206CC..G310 helixtrans-66.8-9.6-179.2-53.10000113.4E78 E79 L83 K84 A102 F103E78-C81 VanDerWaalsContact O-CB 3.23Å; E78-C81 WeakPolarHBondContact O-CB 3.39Å; E78-C81 PolarHBondContact O-N 3.43Å; E78-C81 PolarHBondContact O-SG 3.32Å; E79-C81 PolarHBondContact O-N 2.79Å; C81-L83 VanDerWaalsContact C-N 3.3Å; C81-K84 PolarHBondContact O-NZ 2.96Å; C81-A102 HydrophobicContact CB-CB 3.76Å; C81-A102 WeakPolarHBondContact CB-O 3.1Å; C81-A102 PolarHBondContact SG-O 3.07Å; C81-F103 PolarHBondContact SG-N 2.99Å
82K97.1Very high98Very high127 Ų12742.6 Ų42.655%0.55221%0.214SC*.G310 helixtrans-77.2-14.3173.6-62.1176178.5170.20112.7E79 L80 K84E79-K82 HydrophobicContact CB-CD 4.43Å; E79-K82 HydrophobicContact CG-CD 4.41Å; E79-K82 VanDerWaalsContact O-CB 3.26Å; E79-K82 WeakPolarHBondContact O-CB 3.29Å; E79-K82 WeakPolarHBondContact O-CG 3.1Å; E79-K82 PolarHBondContact O-N 3.01Å; L80-K82 PolarHBondContact O-N 3.02Å; L80-K82 VanDerWaalsContact O-N 3.07Å; K82-K84 VanDerWaalsContact C-N 3.29Å; K82-K84 PolarHBondContact O-N 3Å
83L97.3Very high98Very high0 Ų039.5 Ų39.50%021%0.207CC..  trans-7772.4-177.9-60.3-173000112.7I57 F60 L63 L80 C81 K85 L86 L106I57-L83 HydrophobicContact CG1-CD1 4.25Å; I57-L83 WeakPolarHBondContact O-CD2 3.31Å; F60-L83 HydrophobicContact CB-CD2 4.39Å; F60-L83 WeakPolarHBondContact O-CD2 3.37Å; L63-L83 HydrophobicContact CB-CD1 4.43Å; L63-L83 HydrophobicContact CD2-CD1 3.82Å; L80-L83 HydrophobicContact CD1-CD1 3.85Å; L80-L83 WeakPolarHBondContact O-CB 3.32Å; L80-L83 WeakPolarHBondContact O-CG 3.39Å; L80-L83 PolarHBondContact O-N 3.21Å; L80-L83 VanDerWaalsContact O-N 3.08Å; C81-L83 VanDerWaalsContact C-N 3.3Å; L83-K85 PolarHBondContact O-N 3.06Å; L83-K85 VanDerWaalsContact O-N 3.07Å; L83-L86 HydrophobicContact CB-CB 3.93Å; L83-L86 HydrophobicContact CD1-CD1 4.43Å; L83-L86 HydrophobicContact CD1-CD2 4.32Å; L83-L86 VanDerWaalsContact O-CB 3.32Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.11Å; L83-L106 HydrophobicContact CB-CD2 4.26Å
84K95.8Very high98Very high91 Ų9139.7 Ų39.740%0.39621%0.208SC..THydrogen-bonded Turntrans-65.4-12.9-175.3-57-48.9-174.8-164.80115.2C81 K82 Q105 A108C81-K84 PolarHBondContact O-NZ 2.96Å; K82-K84 VanDerWaalsContact C-N 3.29Å; K82-K84 PolarHBondContact O-N 3Å; K84-Q105 PolarHBondContact NZ-O 3.34Å; K84-A108 WeakPolarHBondContact O-CB 3.35Å
85K97.6Very high98Very high94 Ų9439.4 Ų39.441%0.40920%0.201SC..THydrogen-bonded Turntrans-101.70.8177-64.5-174-176173.10113.5S61 F62 L63 K64 L83 E87S61-K85 WeakPolarHBondContact O-CD 3.24Å; F62-K85 VanDerWaalsContact CE1-NZ 3.33Å; L63-K85 CarbonylContact O-C 3.28Å; K64-K85 WeakPolarHBondContact CA-O 3.5Å; L83-K85 PolarHBondContact O-N 3.06Å; L83-K85 VanDerWaalsContact O-N 3.07Å; K85-E87 WeakPolarHBondContact O-CG 3.31Å; K85-E87 PolarHBondContact O-N 3.45Å
86L98.4Very high98.1Very high0 Ų037 Ų370%018%0.181CC..  trans-68.9117.3-178.5-167.270.7000109.6L63 L66 L83 L89 L106 A108 L109L63-L86 HydrophobicContact CD2-CD1 4.21Å; L63-L86 HydrophobicContact CG-CD1 4.23Å; L63-L86 WeakPolarHBondContact O-CA 3.5Å; L63-L86 PolarHBondContact O-N 3.02Å; L66-L86 HydrophobicContact CB-CD1 3.92Å; L83-L86 HydrophobicContact CB-CB 3.93Å; L83-L86 HydrophobicContact CD1-CD1 4.43Å; L83-L86 HydrophobicContact CD1-CD2 4.32Å; L83-L86 VanDerWaalsContact O-CB 3.32Å; L83-L86 WeakPolarHBondContact O-CB 3.46Å; L83-L86 PolarHBondContact O-N 3.11Å; L86-L89 HydrophobicContact CD2-CB 4.13Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; L86-L89 HydrophobicContact CD2-CD2 4.32Å; L86-L106 HydrophobicContact CD2-CD1 4.49Å; L86-L106 HydrophobicContact CD2-CD2 4.46Å; L86-A108 CarbonylContact O-C 3.12Å; L86-L109 HydrophobicContact CD2-CD1 4.23Å; L86-L109 HydrophobicContact CG-CD1 4.13Å; L86-L109 VanDerWaalsContact O-CA 3.24Å; L86-L109 WeakPolarHBondContact O-CA 3.49Å; L86-L109 PolarHBondContact O-N 2.61Å; L86-L109 VanDerWaalsContact O-N 3.11Å
87E98.6Very high98.1Very high48 Ų4844.6 Ų44.622%0.22421%0.208CC..  trans-101-32.3-179.6-57.9-173.3-139.300111.2K64 K85 A108 K110 T111K64-E87 IonicContact NZ-OE1 2.78Å; K64-E87 PolarHBondContact NZ-OE1 2.96Å; K64-E87 PolarHBondContact O-N 3.33Å; K85-E87 WeakPolarHBondContact O-CG 3.31Å; K85-E87 PolarHBondContact O-N 3.45Å; E87-A108 WeakPolarHBondContact CA-O 3.07Å; E87-K110 PolarHBondContact O-N 2.84Å; E87-K110 IonicContact OE2-NZ 2.78Å; E87-K110 PolarHBondContact OE2-NZ 3.01Å; E87-T111 PolarHBondContact O-N 2.96Å
88T98.8Very high98Very high35 Ų3550.5 Ų50.522%0.21523%0.234CC..EExtended strand (participates in β ladder)trans-132.5127-175.7-53.50000111K64 S65 L66 H90 T111K64-T88 PolarHBondContact O-N 3.44Å; S65-T88 WeakPolarHBondContact CA-O 3.41Å; L66-T88 PolarHBondContact N-O 3.28Å; T88-H90 WeakPolarHBondContact CG2-NE2 3.44Å; T88-T111 WeakPolarHBondContact CA-O 3.38Å; T88-T111 HydrophobicContact CG2-CG2 4.45Å
89L98.8Very high98.1Very high0 Ų046.5 Ų46.50%022%0.216CC..EExtended strand (participates in β ladder)trans-131.2114.3175.3179.757.4000110.6L66 L80 L86 L91 F103 L109 T111 L112 S113L66-L89 HydrophobicContact CB-CD1 3.93Å; L66-L89 HydrophobicContact CD2-CD1 3.91Å; L66-L89 HydrophobicContact CG-CD1 3.99Å; L66-L89 WeakPolarHBondContact O-CA 3.46Å; L80-L89 HydrophobicContact CD2-CD2 4.09Å; L86-L89 HydrophobicContact CD2-CB 4.13Å; L86-L89 HydrophobicContact CD2-CD1 4.46Å; L86-L89 HydrophobicContact CD2-CD2 4.32Å; L89-L91 HydrophobicContact CD1-CD1 3.91Å; L89-L91 HydrophobicContact CD1-CG 3.95Å; L89-L91 HydrophobicContact CD2-CD1 3.77Å; L89-L91 HydrophobicContact CG-CD1 3.73Å; L89-L91 HydrophobicContact CG-CG 4.09Å; L89-F103 HydrophobicContact CD2-CE2 3.85Å; L89-F103 HydrophobicContact CD2-CZ 3.8Å; L89-L109 HydrophobicContact CB-CD1 3.89Å; L89-T111 PolarHBondContact N-O 2.83Å; L89-L112 HydrophobicContact CB-CD1 4.1Å; L89-L112 HydrophobicContact CD2-CD1 3.98Å; L89-L112 HydrophobicContact CG-CD1 4.06Å; L89-L112 WeakPolarHBondContact O-CA 3.17Å; L89-S113 PolarHBondContact O-N 3.48Å
90H98.8Very high98Very high48 Ų4844.1 Ų44.122%0.22221%0.205CC..EExtended strand (participates in β ladder)trans-112.6120.2176.9-59.8168.6000110.4L66 V67 L68 N69 T88 S113L66-H90 PolarHBondContact O-N 3.38Å; V67-H90 HydrophobicContact CB-CB 4.46Å; V67-H90 HydrophobicContact CG1-CB 3.9Å; L68-H90 PolarHBondContact N-O 3.36Å; N69-H90 VanDerWaalsContact OD1-C 3.25Å; N69-H90 VanDerWaalsContact OD1-CB 3.3Å; N69-H90 WeakPolarHBondContact OD1-CB 3.49Å; N69-H90 PolarHBondContact OD1-O 3.27Å; T88-H90 WeakPolarHBondContact CG2-NE2 3.44Å; H90-S113 PolarHBondContact CD2-OG 2.8Å
91L98.7Very high97.9Very high0 Ų047.8 Ų47.80%024%0.236CC..  trans-132.925.6-175.1-75165.1000111.2L68 N69 L73 L76 L89 N94 L96 S113 L114 N117L68-L91 HydrophobicContact CB-CD2 3.86Å; L68-L91 HydrophobicContact CD1-CD2 4.06Å; N69-L91 PolarHBondContact OD1-N 2.79Å; L73-L91 HydrophobicContact CD1-CD2 3.81Å; L76-L91 HydrophobicContact CD1-CD1 3.62Å; L76-L91 HydrophobicContact CD2-CD1 3.99Å; L76-L91 HydrophobicContact CD2-CD2 3.91Å; L76-L91 HydrophobicContact CG-CD1 4.4Å; L89-L91 HydrophobicContact CD1-CD1 3.91Å; L89-L91 HydrophobicContact CD1-CG 3.95Å; L89-L91 HydrophobicContact CD2-CD1 3.77Å; L89-L91 HydrophobicContact CG-CD1 3.73Å; L89-L91 HydrophobicContact CG-CG 4.09Å; L91-N94 PolarHBondContact O-ND2 3.14Å; L91-L96 HydrophobicContact CB-CD1 4.06Å; L91-L96 HydrophobicContact CD1-CD1 3.96Å; L91-L96 HydrophobicContact CD2-CD1 4.39Å; L91-L96 HydrophobicContact CG-CD1 4.39Å; L91-S113 WeakPolarHBondContact CA-O 3.24Å; L91-S113 PolarHBondContact N-O 2.79Å; L91-L114 HydrophobicContact CB-CD2 3.78Å; L91-L114 HydrophobicContact CD1-CD2 3.86Å; L91-L114 HydrophobicContact CG-CD2 4.5Å; L91-N117 PolarHBondContact O-ND2 3.4Å
92N98.8Very high97.9Very high38 Ų3848.7 Ų48.720%0.20324%0.243CC..  trans-63148.2-177-60.2-36000111.2N69 N70 N94 S113 L114 S115N69-N92 CarbonylContact C-O 3.53Å; N69-N92 VanDerWaalsContact CA-O 3.23Å; N69-N92 WeakPolarHBondContact CA-O 3.4Å; N69-N92 HydrophobicContact CB-CB 4.47Å; N69-N92 WeakPolarHBondContact OD1-CB 3.32Å; N69-N92 PolarHBondContact OD1-N 2.78Å; N70-N92 PolarHBondContact N-O 3.36Å; N92-N94 PolarHBondContact O-ND2 3.06Å; N92-S113 WeakPolarHBondContact ND2-CB 3.22Å; N92-S113 WeakPolarHBondContact OD1-CB 3.14Å; N92-S113 PolarHBondContact OD1-O 2.84Å; N92-L114 PolarHBondContact OD1-N 3.24Å; N92-S115 CarbonylContact C-O 3.44Å; N92-S115 WeakPolarHBondContact CA-O 3.11Å; N92-S115 WeakPolarHBondContact OD1-CB 3.35Å; N92-S115 PolarHBondContact OD1-N 2.77Å
93G98.6Very high97.9Very high26 Ų2642.6 Ų42.627%0.26822%0.217SC..SBendtrans62.348.6175.400000112.8N70 N71 S115 G116N70-G93 VanDerWaalsContact CA-O 3.31Å; N70-G93 WeakPolarHBondContact CA-O 3.06Å; N71-G93 PolarHBondContact N-O 2.74Å; N71-G93 VanDerWaalsContact O-O 3.07Å; G93-S115 PolarHBondContact N-O 2.97Å; G93-G116 VanDerWaalsContact CA-O 3.29Å; G93-G116 WeakPolarHBondContact CA-O 3.19Å; G93-G116 PolarHBondContact N-O 3.17Å
94N98.8Very high97.9Very high3 Ų343.5 Ų43.52%0.01623%0.226CC..SBendtrans-121.4-165.7174.1-81.7-78000109.6L68 N71 K72 L73 L91 N92 L96 G116 N117L68-N94 PolarHBondContact O-ND2 3.43Å; N71-N94 WeakPolarHBondContact CA-OD1 3.36Å; N71-N94 WeakPolarHBondContact CB-OD1 3.39Å; N71-N94 PolarHBondContact O-OD1 2.77Å; K72-N94 PolarHBondContact N-OD1 3.33Å; L73-N94 HydrophobicContact CB-CB 4.24Å; L73-N94 VanDerWaalsContact CB-OD1 3.32Å; L73-N94 WeakPolarHBondContact CB-OD1 3.39Å; L73-N94 WeakPolarHBondContact CG-OD1 3.19Å; L73-N94 PolarHBondContact N-OD1 3.46Å; L91-N94 PolarHBondContact O-ND2 3.14Å; N92-N94 PolarHBondContact O-ND2 3.06Å; N94-L96 HydrophobicContact CB-CG 4.29Å; N94-G116 PolarHBondContact N-O 3.45Å; N94-G116 VanDerWaalsContact O-O 3.1Å; N94-N117 WeakPolarHBondContact CA-OD1 3.38Å; N94-N117 WeakPolarHBondContact CB-OD1 3.39Å; N94-N117 PolarHBondContact O-OD1 3.03Å
95H98.5Very high97.9Very high79 Ų7944.4 Ų44.437%0.36623%0.231SC..  trans-121.329.6-178.7-59.8-33.2000112.1L73 T74 R97 N117 Q118L73-H95 CarbonylContact O-C 3.25Å; L73-H95 VanDerWaalsContact O-CA 3.31Å; L73-H95 WeakPolarHBondContact O-CA 3.46Å; L73-H95 PolarHBondContact O-N 2.81Å; T74-H95 HydrophobicContact CG2-CB 4.15Å; H95-R97 PolarHBondContact O-N 3.03Å; H95-N117 PolarHBondContact N-OD1 3.36Å; H95-Q118 PolarHBondContact ND1-NE2 3.36Å
96L98.6Very high97.9Very high0 Ų040 Ų400%021%0.212CC..  trans-68130.3-176.9-61.2172.8000110.7L73 L76 L91 N94 L114 N117 Q118 L119L73-L96 HydrophobicContact CB-CD2 4.22Å; L73-L96 PolarHBondContact O-N 2.8Å; L76-L96 HydrophobicContact CD1-CD1 4.35Å; L76-L96 HydrophobicContact CD2-CD1 4.49Å; L76-L96 HydrophobicContact CD2-CD2 4.22Å; L76-L96 HydrophobicContact CG-CD1 4.37Å; L76-L96 HydrophobicContact CG-CD2 3.98Å; L91-L96 HydrophobicContact CB-CD1 4.06Å; L91-L96 HydrophobicContact CD1-CD1 3.96Å; L91-L96 HydrophobicContact CD2-CD1 4.39Å; L91-L96 HydrophobicContact CG-CD1 4.39Å; N94-L96 HydrophobicContact CB-CG 4.29Å; L96-L114 HydrophobicContact CD1-CD2 3.62Å; L96-N117 HydrophobicContact CB-CB 4.28Å; L96-N117 VanDerWaalsContact CB-OD1 3.28Å; L96-N117 WeakPolarHBondContact CB-OD1 3.28Å; L96-N117 WeakPolarHBondContact CG-OD1 3.14Å; L96-N117 PolarHBondContact N-OD1 3.43Å; L96-Q118 CarbonylContact O-C 3.2Å; L96-Q118 VanDerWaalsContact O-C 3.26Å; L96-Q118 WeakPolarHBondContact O-CA 3.25Å; L96-Q118 PolarHBondContact O-N 3.01Å; L96-L119 PolarHBondContact O-N 2.9Å
97R97.9Very high97.6Very high177 Ų17743 Ų4367%0.66823%0.234SC*.  trans-105.5-20.9176.2-65.7178.9-178.2173.21.1113.5H95 Q118H95-R97 PolarHBondContact O-N 3.03Å; R97-Q118 HydrophobicContact CG-CB 3.88Å
98Q97.4Very high97.6Very high142 Ų14242 Ų4266%0.66423%0.234SC*.  trans-155164-179.965.4-1733400110.3
99L97.9Very high97.6Very high8 Ų840.4 Ų40.44%0.04222%0.224CC..  trans-101.9155.7169.5-61178.7000109.9L76 F103 L114 P123 L126L76-L99 HydrophobicContact CD1-CD2 3.98Å; L99-F103 HydrophobicContact CB-CB 4.14Å; L99-F103 HydrophobicContact CB-CD2 4.22Å; L99-F103 HydrophobicContact CB-CG 4.06Å; L99-F103 HydrophobicContact CD1-CD1 3.77Å; L99-F103 HydrophobicContact CD1-CD2 4.48Å; L99-F103 HydrophobicContact CD1-CE1 3.79Å; L99-F103 HydrophobicContact CD1-CE2 4.47Å; L99-F103 HydrophobicContact CD1-CG 4.11Å; L99-F103 HydrophobicContact CD1-CZ 4.13Å; L99-F103 HydrophobicContact CD2-CD2 4.42Å; L99-F103 HydrophobicContact CD2-CE2 4.17Å; L99-F103 HydrophobicContact CD2-CZ 4.36Å; L99-L114 HydrophobicContact CD1-CD1 4.04Å; L99-L114 HydrophobicContact CD2-CD1 4.06Å; L99-L114 HydrophobicContact CD2-CD2 4.13Å; L99-P123 HydrophobicContact CD1-CB 3.79Å; L99-P123 HydrophobicContact CD1-CG 3.82Å; L99-P123 HydrophobicContact CG-CB 4.23Å; L99-P123 HydrophobicContact CG-CG 4.14Å; L99-L126 HydrophobicContact CD1-CD2 4.13Å
100P97.3Very high97.6Very high7 Ų744.4 Ų44.45%0.04524%0.241CC..  trans-53.9150.1173.3-24.432.5000112.4L76 E78 A102 F103L76-P100 HydrophobicContact CB-CG 3.75Å; E78-P100 HydrophobicContact CG-CB 4.49Å; E78-P100 WeakPolarHBondContact OE1-CA 3.1Å; E78-P100 WeakPolarHBondContact OE1-CB 3.4Å; E78-P100 WeakPolarHBondContact OE2-CB 3.18Å; P100-A102 PolarHBondContact O-N 3.21Å; P100-F103 HydrophobicContact CG-CD2 4.39Å; P100-F103 WeakPolarHBondContact O-CB 3.23Å; P100-F103 PolarHBondContact O-N 2.9Å
101A96.3Very high97.6Very high78 Ų7844 Ų4465%0.64524%0.242SC*.THydrogen-bonded Turntrans-62-35.8-177.600000111.7E78 F103E78-A101 PolarHBondContact OE1-N 2.99Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 3.45Å
102A96.6Very high97.6Very high21 Ų2144 Ų4417%0.17424%0.242CC..THydrogen-bonded Turntrans-84.710.3178.900000114.2E78 C81 P100 G104 Q105E78-A102 PolarHBondContact OE2-N 2.93Å; C81-A102 HydrophobicContact CB-CB 3.76Å; C81-A102 WeakPolarHBondContact CB-O 3.1Å; C81-A102 PolarHBondContact SG-O 3.07Å; P100-A102 PolarHBondContact O-N 3.21Å; A102-G104 PolarHBondContact O-N 2.81Å; A102-G104 VanDerWaalsContact O-N 3.16Å; A102-Q105 HydrophobicContact CB-CG 4.21Å; A102-Q105 VanDerWaalsContact O-CB 3.25Å; A102-Q105 WeakPolarHBondContact O-CB 3.03Å; A102-Q105 VanDerWaalsContact O-CG 3.27Å; A102-Q105 WeakPolarHBondContact O-CG 3.19Å; A102-Q105 PolarHBondContact O-N 3.1Å
103F97.6Very high97.5Very high0 Ų042.8 Ų42.80%024%0.237CC..G310 helixtrans-59.6-32.9-173.3-165.7-91.9000113L76 L80 C81 L89 L99 P100 A101 Q105 L106 L109 L112 Q125 L126 L129L76-F103 HydrophobicContact CD1-CE2 4.18Å; L80-F103 HydrophobicContact CD2-CE2 4.22Å; C81-F103 PolarHBondContact SG-N 2.99Å; L89-F103 HydrophobicContact CD2-CE2 3.85Å; L89-F103 HydrophobicContact CD2-CZ 3.8Å; L99-F103 HydrophobicContact CB-CB 4.14Å; L99-F103 HydrophobicContact CB-CD2 4.22Å; L99-F103 HydrophobicContact CB-CG 4.06Å; L99-F103 HydrophobicContact CD1-CD1 3.77Å; L99-F103 HydrophobicContact CD1-CD2 4.48Å; L99-F103 HydrophobicContact CD1-CE1 3.79Å; L99-F103 HydrophobicContact CD1-CE2 4.47Å; L99-F103 HydrophobicContact CD1-CG 4.11Å; L99-F103 HydrophobicContact CD1-CZ 4.13Å; L99-F103 HydrophobicContact CD2-CD2 4.42Å; L99-F103 HydrophobicContact CD2-CE2 4.17Å; L99-F103 HydrophobicContact CD2-CZ 4.36Å; P100-F103 HydrophobicContact CG-CD2 4.39Å; P100-F103 WeakPolarHBondContact O-CB 3.23Å; P100-F103 PolarHBondContact O-N 2.9Å; A101-F103 VanDerWaalsContact C-N 3.28Å; A101-F103 PolarHBondContact O-N 3.45Å; F103-Q105 PolarHBondContact O-N 2.85Å; F103-L106 HydrophobicContact CD1-CD1 4.43Å; F103-L106 HydrophobicContact CD2-CD1 3.95Å; F103-L106 HydrophobicContact CE1-CD1 4.24Å; F103-L106 HydrophobicContact CE2-CD1 3.76Å; F103-L106 HydrophobicContact CG-CD1 4.31Å; F103-L106 HydrophobicContact CZ-CD1 3.93Å; F103-L106 PolarHBondContact O-N 3.25Å; F103-L109 HydrophobicContact CE1-CD2 4.21Å; F103-L109 HydrophobicContact CZ-CD2 4.32Å; F103-L112 HydrophobicContact CE1-CD1 4.45Å; F103-L112 HydrophobicContact CE1-CD2 3.75Å; F103-L112 HydrophobicContact CZ-CD1 3.91Å; F103-L112 HydrophobicContact CZ-CD2 4.04Å; F103-Q125 HydrophobicContact CB-CB 3.97Å; F103-Q125 HydrophobicContact CB-CG 4.41Å; F103-L126 HydrophobicContact CD1-CD2 4.49Å; F103-L126 HydrophobicContact CE1-CD2 4.23Å; F103-L129 HydrophobicContact CD1-CD1 4.13Å; F103-L129 HydrophobicContact CE1-CD1 3.98Å; F103-L129 WeakPolarHBondContact O-CD2 3.49Å
104G95.6Very high97.6Very high18 Ų1841.6 Ų41.619%0.18622%0.224CC..G310 helixtrans-61.8-9.2173.700000114.9A102 L106 Q125 G128A102-G104 PolarHBondContact O-N 2.81Å; A102-G104 VanDerWaalsContact O-N 3.16Å; G104-L106 VanDerWaalsContact C-N 3.33Å; G104-Q125 VanDerWaalsContact CA-O 3.24Å; G104-Q125 WeakPolarHBondContact CA-O 3.26Å; G104-G128 CarbonylContact O-C 3.07Å
105Q96Very high97.6Very high110 Ų11042.1 Ų42.151%0.51423%0.228SC..G310 helixtrans-85.70.3176.9-53.3-178.75.200114.1K84 A102 F103 S107K84-Q105 PolarHBondContact NZ-O 3.34Å; A102-Q105 HydrophobicContact CB-CG 4.21Å; A102-Q105 VanDerWaalsContact O-CB 3.25Å; A102-Q105 WeakPolarHBondContact O-CB 3.03Å; A102-Q105 VanDerWaalsContact O-CG 3.27Å; A102-Q105 WeakPolarHBondContact O-CG 3.19Å; A102-Q105 PolarHBondContact O-N 3.1Å; F103-Q105 PolarHBondContact O-N 2.85Å; Q105-S107 PolarHBondContact O-N 3.47Å
106L97.3Very high97.6Very high1 Ų139.6 Ų39.61%0.00522%0.223CC..  trans-75.667.7173.6-66.3172.8000110.3L80 L83 L86 F103 G104 A108 L109 L129L80-L106 WeakPolarHBondContact O-CD2 3.47Å; L83-L106 HydrophobicContact CB-CD2 4.26Å; L86-L106 HydrophobicContact CD2-CD1 4.49Å; L86-L106 HydrophobicContact CD2-CD2 4.46Å; F103-L106 HydrophobicContact CD1-CD1 4.43Å; F103-L106 HydrophobicContact CD2-CD1 3.95Å; F103-L106 HydrophobicContact CE1-CD1 4.24Å; F103-L106 HydrophobicContact CE2-CD1 3.76Å; F103-L106 HydrophobicContact CG-CD1 4.31Å; F103-L106 HydrophobicContact CZ-CD1 3.93Å; F103-L106 PolarHBondContact O-N 3.25Å; G104-L106 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 2.9Å; L106-L109 HydrophobicContact CB-CB 4.06Å; L106-L109 HydrophobicContact CB-CD2 4.49Å; L106-L109 HydrophobicContact CD1-CD2 4.23Å; L106-L109 VanDerWaalsContact O-CB 3.29Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-L129 HydrophobicContact CB-CD2 3.83Å; L106-L129 VanDerWaalsContact O-CD2 3.31Å; L106-L129 WeakPolarHBondContact O-CD2 3.14Å
107S93.8Very high97.6Very high64 Ų6440 Ų4045%0.44823%0.225SC..THydrogen-bonded Turntrans-60.8-23.3-168.356.70000115Q105 H131Q105-S107 PolarHBondContact O-N 3.47Å; S107-H131 PolarHBondContact O-CD2 3.26Å; S107-H131 VanDerWaalsContact O-CD2 3.24Å
108A97.6Very high97.6Very high28 Ų2833.8 Ų33.823%0.23120%0.204CC..THydrogen-bonded Turntrans-90.9-2.8178.900000113.9K84 L86 E87 L106 K110K84-A108 WeakPolarHBondContact O-CB 3.35Å; L86-A108 CarbonylContact O-C 3.12Å; E87-A108 WeakPolarHBondContact CA-O 3.07Å; L106-A108 PolarHBondContact O-N 2.9Å; A108-K110 PolarHBondContact O-N 3.36Å
109L98.4Very high97.6Very high0 Ų027.1 Ų27.10%017%0.173CC..  trans-70.9123.4-171.2-163.671.9000111L86 L89 F103 L106 L112 L129 H131 L132L86-L109 HydrophobicContact CD2-CD1 4.23Å; L86-L109 HydrophobicContact CG-CD1 4.13Å; L86-L109 VanDerWaalsContact O-CA 3.24Å; L86-L109 WeakPolarHBondContact O-CA 3.49Å; L86-L109 PolarHBondContact O-N 2.61Å; L86-L109 VanDerWaalsContact O-N 3.11Å; L89-L109 HydrophobicContact CB-CD1 3.89Å; F103-L109 HydrophobicContact CE1-CD2 4.21Å; F103-L109 HydrophobicContact CZ-CD2 4.32Å; L106-L109 HydrophobicContact CB-CB 4.06Å; L106-L109 HydrophobicContact CB-CD2 4.49Å; L106-L109 HydrophobicContact CD1-CD2 4.23Å; L106-L109 VanDerWaalsContact O-CB 3.29Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 2.91Å; L109-L112 HydrophobicContact CD2-CB 4.19Å; L109-L112 HydrophobicContact CD2-CD1 4.45Å; L109-L129 HydrophobicContact CD2-CD1 4.01Å; L109-H131 CarbonylContact O-C 3.6Å; L109-H131 VanDerWaalsContact O-C 3.28Å; L109-L132 HydrophobicContact CD2-CD2 4.32Å; L109-L132 HydrophobicContact CG-CD2 4.3Å; L109-L132 PolarHBondContact O-N 3.11Å
110K98.4Very high97.6Very high84 Ų8434.6 Ų34.637%0.36520%0.201SC..  trans-109.9-34.1179.5-62.4174.2-174.1161.30112.1E87 A108 H131 D133 V134E87-K110 PolarHBondContact O-N 2.84Å; E87-K110 IonicContact OE2-NZ 2.78Å; E87-K110 PolarHBondContact OE2-NZ 3.01Å; A108-K110 PolarHBondContact O-N 3.36Å; K110-H131 WeakPolarHBondContact CA-O 3.32Å; K110-D133 PolarHBondContact O-N 3.29Å; K110-V134 PolarHBondContact O-N 3.02Å; K110-V134 VanDerWaalsContact O-N 3.07Å
111T98.7Very high97.5Very high39 Ų3938.2 Ų38.224%0.23922%0.223CC..EExtended strand (participates in β ladder)trans-130.2121.8-175-52.60000110.2E87 T88 L89E87-T111 PolarHBondContact O-N 2.96Å; T88-T111 WeakPolarHBondContact CA-O 3.38Å; T88-T111 HydrophobicContact CG2-CG2 4.45Å; L89-T111 PolarHBondContact N-O 2.83Å
112L98.8Very high97.5Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-126.9122.7176.3178.160.5000109.8L89 F103 L109 L114 L126 L132 V134 V135 D136L89-L112 HydrophobicContact CB-CD1 4.1Å; L89-L112 HydrophobicContact CD2-CD1 3.98Å; L89-L112 HydrophobicContact CG-CD1 4.06Å; L89-L112 WeakPolarHBondContact O-CA 3.17Å; F103-L112 HydrophobicContact CE1-CD1 4.45Å; F103-L112 HydrophobicContact CE1-CD2 3.75Å; F103-L112 HydrophobicContact CZ-CD1 3.91Å; F103-L112 HydrophobicContact CZ-CD2 4.04Å; L109-L112 HydrophobicContact CD2-CB 4.19Å; L109-L112 HydrophobicContact CD2-CD1 4.45Å; L112-L114 HydrophobicContact CD1-CD1 3.98Å; L112-L114 HydrophobicContact CD1-CG 3.96Å; L112-L114 HydrophobicContact CD2-CD1 3.72Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CG 4.11Å; L112-L126 HydrophobicContact CD2-CD2 3.42Å; L112-L126 VanDerWaalsContact CD2-CD2 3.42Å; L112-L132 HydrophobicContact CB-CD2 4.29Å; L112-V134 PolarHBondContact N-O 2.77Å; L112-V135 HydrophobicContact CD2-CG1 4.44Å; L112-V135 WeakPolarHBondContact O-CA 3.41Å; L112-D136 PolarHBondContact O-N 2.96Å
113S98.6Very high97.5Very high14 Ų1434.3 Ų34.310%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-120.8118.5174.2-47.10000110.1L89 H90 L91 N92L89-S113 PolarHBondContact O-N 3.48Å; H90-S113 PolarHBondContact CD2-OG 2.8Å; L91-S113 WeakPolarHBondContact CA-O 3.24Å; L91-S113 PolarHBondContact N-O 2.79Å; N92-S113 WeakPolarHBondContact ND2-CB 3.22Å; N92-S113 WeakPolarHBondContact OD1-CB 3.14Å; N92-S113 PolarHBondContact OD1-O 2.84Å
114L98.7Very high97.4Very high0 Ų037.7 Ų37.70%021%0.21CC..  trans-127.124.1179.8-70.6160.7000110.3L91 N92 L96 L99 L112 N117 L119 D136 L137 N140L91-L114 HydrophobicContact CB-CD2 3.78Å; L91-L114 HydrophobicContact CD1-CD2 3.86Å; L91-L114 HydrophobicContact CG-CD2 4.5Å; N92-L114 PolarHBondContact OD1-N 3.24Å; L96-L114 HydrophobicContact CD1-CD2 3.62Å; L99-L114 HydrophobicContact CD1-CD1 4.04Å; L99-L114 HydrophobicContact CD2-CD1 4.06Å; L99-L114 HydrophobicContact CD2-CD2 4.13Å; L112-L114 HydrophobicContact CD1-CD1 3.98Å; L112-L114 HydrophobicContact CD1-CG 3.96Å; L112-L114 HydrophobicContact CD2-CD1 3.72Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CG 4.11Å; L114-N117 VanDerWaalsContact C-ND2 3.33Å; L114-N117 PolarHBondContact O-ND2 3.26Å; L114-L119 HydrophobicContact CB-CD1 4.26Å; L114-L119 HydrophobicContact CD1-CD1 4.24Å; L114-D136 CarbonylContact C-O 3.21Å; L114-D136 WeakPolarHBondContact CA-O 3.23Å; L114-D136 PolarHBondContact N-O 3.4Å; L114-L137 HydrophobicContact CB-CD2 3.97Å; L114-L137 HydrophobicContact CD1-CD2 3.81Å; L114-N140 PolarHBondContact O-ND2 2.93Å
115S98.8Very high97.4Very high15 Ų1539.3 Ų39.311%0.10521%0.212CC..  trans-61.5139.7-178.9-177.10000111N92 G93 D136 S138N92-S115 CarbonylContact C-O 3.44Å; N92-S115 WeakPolarHBondContact CA-O 3.11Å; N92-S115 WeakPolarHBondContact OD1-CB 3.35Å; N92-S115 PolarHBondContact OD1-N 2.77Å; G93-S115 PolarHBondContact N-O 2.97Å; S115-D136 PolarHBondContact N-O 2.96Å; S115-S138 CarbonylContact C-O 3.58Å; S115-S138 WeakPolarHBondContact CA-O 3.46Å; S115-S138 WeakPolarHBondContact CB-OG 3.27Å; S115-S138 PolarHBondContact OG-O 3.33Å; S115-S138 PolarHBondContact OG-OG 3.19Å
116G98.7Very high97.5Very high25 Ų2534.1 Ų34.126%0.25819%0.188SC..SBendtrans71.346177.200000112.7G93 N94 S138 K139G93-G116 VanDerWaalsContact CA-O 3.29Å; G93-G116 WeakPolarHBondContact CA-O 3.19Å; G93-G116 PolarHBondContact N-O 3.17Å; N94-G116 PolarHBondContact N-O 3.45Å; N94-G116 VanDerWaalsContact O-O 3.1Å; G116-S138 PolarHBondContact N-O 2.94Å; G116-K139 WeakPolarHBondContact CA-O 3.06Å; G116-K139 PolarHBondContact N-O 3.46Å
117N98.8Very high97.3Very high8 Ų835 Ų354%0.04319%0.194CC..SBendtrans-119.2-165.8174-82.8-79.5000110.4L91 N94 H95 L96 L114 K139 N140L91-N117 PolarHBondContact O-ND2 3.4Å; N94-N117 WeakPolarHBondContact CA-OD1 3.38Å; N94-N117 WeakPolarHBondContact CB-OD1 3.39Å; N94-N117 PolarHBondContact O-OD1 3.03Å; H95-N117 PolarHBondContact N-OD1 3.36Å; L96-N117 HydrophobicContact CB-CB 4.28Å; L96-N117 VanDerWaalsContact CB-OD1 3.28Å; L96-N117 WeakPolarHBondContact CB-OD1 3.28Å; L96-N117 WeakPolarHBondContact CG-OD1 3.14Å; L96-N117 PolarHBondContact N-OD1 3.43Å; L114-N117 VanDerWaalsContact C-ND2 3.33Å; L114-N117 PolarHBondContact O-ND2 3.26Å; N117-K139 PolarHBondContact N-O 3.04Å; N117-N140 VanDerWaalsContact CA-OD1 3.27Å; N117-N140 WeakPolarHBondContact CA-OD1 3.29Å; N117-N140 WeakPolarHBondContact CB-OD1 3.42Å; N117-N140 PolarHBondContact N-OD1 2.97Å; N117-N140 PolarHBondContact O-OD1 2.97Å
118Q98.4Very high97.3Very high48 Ų4833.9 Ų33.922%0.22419%0.193CC..  trans-11729.2-176.9-58.9177.311.400111.8H95 L96 R97 N140H95-Q118 PolarHBondContact ND1-NE2 3.36Å; L96-Q118 CarbonylContact O-C 3.2Å; L96-Q118 VanDerWaalsContact O-C 3.26Å; L96-Q118 WeakPolarHBondContact O-CA 3.25Å; L96-Q118 PolarHBondContact O-N 3.01Å; R97-Q118 HydrophobicContact CG-CB 3.88Å; Q118-N140 PolarHBondContact N-OD1 2.9Å
119L98.3Very high97.2Very high2 Ų232.6 Ų32.61%0.0118%0.182CC..  trans-69130.9178.4-61.6171.8000109.9L96 L114 P123 L137 N140 Q141 I142L96-L119 PolarHBondContact O-N 2.9Å; L114-L119 HydrophobicContact CB-CD1 4.26Å; L114-L119 HydrophobicContact CD1-CD1 4.24Å; L119-P123 HydrophobicContact CD1-CG 4.29Å; L119-P123 HydrophobicContact CD2-CG 4.36Å; L119-L137 HydrophobicContact CD1-CD2 3.85Å; L119-N140 HydrophobicContact CB-CB 4.23Å; L119-N140 WeakPolarHBondContact CB-OD1 3.44Å; L119-N140 WeakPolarHBondContact CG-OD1 3.4Å; L119-N140 PolarHBondContact N-OD1 3.08Å; L119-Q141 CarbonylContact O-C 3.39Å; L119-Q141 VanDerWaalsContact O-CA 3.28Å; L119-Q141 WeakPolarHBondContact O-CA 3.46Å; L119-Q141 PolarHBondContact O-N 2.96Å; L119-I142 HydrophobicContact CB-CG1 4.33Å; L119-I142 PolarHBondContact O-N 2.86Å
120R97Very high96.9Very high165 Ų16541.7 Ų41.762%0.62322%0.216SC*.  trans-100-16.6179.2-67.1-174.8177.1-171.5-0.9114.2Q141 I142 Q143R120-Q141 WeakPolarHBondContact CA-O 3.4Å; R120-Q141 HydrophobicContact CG-CB 4.28Å; R120-I142 WeakPolarHBondContact O-CA 3.42Å; R120-Q143 PolarHBondContact O-N 2.97Å
121T95.3Very high96.7Very high83 Ų8343 Ų4351%0.50922%0.223SC..SBendtrans-139.1156.9178.157.80000109.1P123T121-P123 VanDerWaalsContact O-CD 3.3Å; T121-P123 WeakPolarHBondContact O-CD 3.34Å
122V97Very high96.6Very high8 Ų841.2 Ų41.25%0.04821%0.212CC..  trans-64.5120.6166.9-179.30000107.9T124 L126 L137 I142 V145 P146 L159V122-T124 PolarHBondContact O-N 3.28Å; V122-L126 HydrophobicContact CG1-CD1 4.27Å; V122-L137 HydrophobicContact CG1-CD1 4.07Å; V122-L137 HydrophobicContact CG2-CD1 4.4Å; V122-I142 HydrophobicContact CG2-CD1 4.38Å; V122-I142 HydrophobicContact CG2-CG2 4.07Å; V122-V145 HydrophobicContact CG2-CG1 4.46Å; V122-V145 HydrophobicContact CG2-CG2 4.41Å; V122-P146 HydrophobicContact CB-CG 4.47Å; V122-L159 HydrophobicContact CG2-CD2 4.09Å
123P96.2Very high96.6Very high8 Ų843.7 Ų43.75%0.05223%0.225CC..  trans-64.1125.1-177.7-21.232.5000111.3L99 L119 T121 Q125 L126L99-P123 HydrophobicContact CD1-CB 3.79Å; L99-P123 HydrophobicContact CD1-CG 3.82Å; L99-P123 HydrophobicContact CG-CB 4.23Å; L99-P123 HydrophobicContact CG-CG 4.14Å; L119-P123 HydrophobicContact CD1-CG 4.29Å; L119-P123 HydrophobicContact CD2-CG 4.36Å; T121-P123 VanDerWaalsContact O-CD 3.3Å; T121-P123 WeakPolarHBondContact O-CD 3.34Å; P123-Q125 PolarHBondContact O-N 2.93Å; P123-L126 HydrophobicContact CB-CG 4.26Å; P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 WeakPolarHBondContact O-CG 3.32Å; P123-L126 PolarHBondContact O-N 3.26Å; P123-L126 VanDerWaalsContact O-N 3.16Å
124T95.3Very high96.6Very high72 Ų7245.4 Ų45.444%0.44224%0.235SC..G310 helixtrans-66.3-21.3-17959.30000112.5V122 L126 C127 T148V122-T124 PolarHBondContact O-N 3.28Å; T124-L126 PolarHBondContact O-N 2.96Å; T124-L126 VanDerWaalsContact O-N 3.17Å; T124-C127 WeakPolarHBondContact O-CB 3.34Å; T124-C127 PolarHBondContact O-N 3.38Å; T124-C127 VanDerWaalsContact O-N 3.11Å; T124-C127 PolarHBondContact O-SG 2.9Å; T124-T148 HydrophobicContact CG2-CG2 4.16Å; T124-T148 WeakPolarHBondContact CG2-OG1 3.35Å
125Q96.1Very high96.6Very high52 Ų5245.4 Ų45.424%0.24324%0.235CC..G310 helixtrans-62.5-21.2176.3-6279.19.300112.7F103 G104 P123 C127 G128F103-Q125 HydrophobicContact CB-CB 3.97Å; F103-Q125 HydrophobicContact CB-CG 4.41Å; G104-Q125 VanDerWaalsContact CA-O 3.24Å; G104-Q125 WeakPolarHBondContact CA-O 3.26Å; P123-Q125 PolarHBondContact O-N 2.93Å; Q125-C127 PolarHBondContact O-N 3.41Å; Q125-G128 PolarHBondContact O-N 3.06Å
126L96.5Very high96.6Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..G310 helixtrans-63.4-27.5175.7-60.9-179.9000112.3L99 F103 L112 V122 P123 T124 G128 L129 V135 L137 L152L99-L126 HydrophobicContact CD1-CD2 4.13Å; F103-L126 HydrophobicContact CD1-CD2 4.49Å; F103-L126 HydrophobicContact CE1-CD2 4.23Å; L112-L126 HydrophobicContact CD2-CD2 3.42Å; L112-L126 VanDerWaalsContact CD2-CD2 3.42Å; V122-L126 HydrophobicContact CG1-CD1 4.27Å; P123-L126 HydrophobicContact CB-CG 4.26Å; P123-L126 WeakPolarHBondContact O-CB 3.37Å; P123-L126 WeakPolarHBondContact O-CG 3.32Å; P123-L126 PolarHBondContact O-N 3.26Å; P123-L126 VanDerWaalsContact O-N 3.16Å; T124-L126 PolarHBondContact O-N 2.96Å; T124-L126 VanDerWaalsContact O-N 3.17Å; L126-G128 PolarHBondContact O-N 3.37Å; L126-L129 HydrophobicContact CD2-CD1 3.98Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-L129 VanDerWaalsContact O-N 3.12Å; L126-V135 HydrophobicContact CD1-CG1 4.02Å; L126-L137 HydrophobicContact CD1-CD1 4.12Å; L126-L152 HydrophobicContact CB-CD1 3.89Å
127C93.8Very high96.6Very high20 Ų2045 Ų4514%0.13523%0.226CC..G310 helixtrans-66.5-23.5177.9-55.50000112.7T124 Q125 L129 T148 E151T124-C127 WeakPolarHBondContact O-CB 3.34Å; T124-C127 PolarHBondContact O-N 3.38Å; T124-C127 VanDerWaalsContact O-N 3.11Å; T124-C127 PolarHBondContact O-SG 2.9Å; Q125-C127 PolarHBondContact O-N 3.41Å; C127-L129 VanDerWaalsContact C-N 3.28Å; C127-L129 PolarHBondContact O-N 2.88Å; C127-T148 PolarHBondContact SG-O 2.8Å; C127-E151 HydrophobicContact CB-CB 3.83Å
128G93.4Very high96.6Very high40 Ų4045.2 Ų45.241%0.41223%0.228SC..G310 helixtrans-73.5-16.7174.300000114.2G104 Q125 L126 R130G104-G128 CarbonylContact O-C 3.07Å; Q125-G128 PolarHBondContact O-N 3.06Å; L126-G128 PolarHBondContact O-N 3.37Å; G128-R130 PolarHBondContact O-N 3.36Å
129L96Very high96.6Very high0 Ų048.5 Ų48.50%024%0.241CC..  trans-88.5102.6-173-60.1174.3000111.2F103 L106 L109 L126 C127 H131 L132F103-L129 HydrophobicContact CD1-CD1 4.13Å; F103-L129 HydrophobicContact CE1-CD1 3.98Å; F103-L129 WeakPolarHBondContact O-CD2 3.49Å; L106-L129 HydrophobicContact CB-CD2 3.83Å; L106-L129 VanDerWaalsContact O-CD2 3.31Å; L106-L129 WeakPolarHBondContact O-CD2 3.14Å; L109-L129 HydrophobicContact CD2-CD1 4.01Å; L126-L129 HydrophobicContact CD2-CD1 3.98Å; L126-L129 WeakPolarHBondContact O-CB 3.45Å; L126-L129 PolarHBondContact O-N 2.97Å; L126-L129 VanDerWaalsContact O-N 3.12Å; C127-L129 VanDerWaalsContact C-N 3.28Å; C127-L129 PolarHBondContact O-N 2.88Å; L129-H131 PolarHBondContact O-N 3.45Å; L129-L132 HydrophobicContact CB-CD1 3.55Å; L129-L132 HydrophobicContact CB-CG 3.68Å; L129-L132 HydrophobicContact CD1-CD1 3.59Å; L129-L132 HydrophobicContact CD1-CD2 4.24Å; L129-L132 HydrophobicContact CD1-CG 4.02Å; L129-L132 HydrophobicContact CG-CD1 4.19Å; L129-L132 HydrophobicContact CG-CG 4.5Å
130R92.5Very high96.6Very high191 Ų19148.9 Ų48.972%0.72124%0.243SC*.THydrogen-bonded Turntrans-79.6-14.6-170.2-61.7-172.6178.2-171.5-2115.9G128G128-R130 PolarHBondContact O-N 3.36Å
131H94.6Very high96.7Very high113 Ų11344 Ų4452%0.52323%0.228SC..THydrogen-bonded Turntrans-121.518.5-172.5-65.7-64.5000113.3S107 L109 K110 L129 D133S107-H131 PolarHBondContact O-CD2 3.26Å; S107-H131 VanDerWaalsContact O-CD2 3.24Å; L109-H131 CarbonylContact O-C 3.6Å; L109-H131 VanDerWaalsContact O-C 3.28Å; K110-H131 WeakPolarHBondContact CA-O 3.32Å; L129-H131 PolarHBondContact O-N 3.45Å; H131-D133 PolarHBondContact O-N 3.35Å
132L96.8Very high96.8Very high0 Ų040 Ų400%020%0.203CC..  trans-64.4135.1174.7-80.9173.1000110.8L109 L112 L129 V135 L152 A154 R176L109-L132 HydrophobicContact CD2-CD2 4.32Å; L109-L132 HydrophobicContact CG-CD2 4.3Å; L109-L132 PolarHBondContact O-N 3.11Å; L112-L132 HydrophobicContact CB-CD2 4.29Å; L129-L132 HydrophobicContact CB-CD1 3.55Å; L129-L132 HydrophobicContact CB-CG 3.68Å; L129-L132 HydrophobicContact CD1-CD1 3.59Å; L129-L132 HydrophobicContact CD1-CD2 4.24Å; L129-L132 HydrophobicContact CD1-CG 4.02Å; L129-L132 HydrophobicContact CG-CD1 4.19Å; L129-L132 HydrophobicContact CG-CG 4.5Å; L132-V135 HydrophobicContact CB-CG2 4.42Å; L132-V135 HydrophobicContact CD1-CG2 3.6Å; L132-V135 HydrophobicContact CD2-CG2 4.09Å; L132-V135 HydrophobicContact CG-CG2 4.27Å; L132-L152 HydrophobicContact CD1-CD1 4.43Å; L132-A154 HydrophobicContact CB-CB 4.1Å; L132-A154 WeakPolarHBondContact O-CA 3.23Å; L132-R176 PolarHBondContact O-NH1 2.85Å
133D97.6Very high96.9Very high52 Ų5244.5 Ų44.528%0.27822%0.224SC..  trans-107.3-47.4169.5-65.4-32.7000109.2K110 H131 I155 E156 R176K110-D133 PolarHBondContact O-N 3.29Å; H131-D133 PolarHBondContact O-N 3.35Å; D133-I155 HydrophobicContact CB-CD1 4.1Å; D133-I155 CarbonylContact O-C 3.56Å; D133-I155 WeakPolarHBondContact O-CA 3.21Å; D133-I155 VanDerWaalsContact O-CB 3.29Å; D133-I155 WeakPolarHBondContact O-CB 3.1Å; D133-I155 PolarHBondContact O-N 2.87Å; D133-I155 VanDerWaalsContact OD1-CD1 3.31Å; D133-I155 WeakPolarHBondContact OD1-CD1 3.41Å; D133-E156 PolarHBondContact O-N 2.75Å; D133-R176 IonicContact OD1-CZ 3.85Å; D133-R176 IonicContact OD1-NH1 3.85Å; D133-R176 IonicContact OD1-NH2 2.93Å; D133-R176 PolarHBondContact OD1-NH2 3.47Å
134V98.4Very high96.9Very high51 Ų5146 Ų4631%0.30924%0.235SC..EExtended strand (participates in β ladder)trans-129.4128.5-175.9-176.30000111.1K110 L112 E156K110-V134 PolarHBondContact O-N 3.02Å; K110-V134 VanDerWaalsContact O-N 3.07Å; L112-V134 PolarHBondContact N-O 2.77Å; V134-E156 HydrophobicContact CG2-CB 4.41Å
135V98.5Very high97Very high0 Ų042.8 Ų42.80%022%0.215CC..EExtended strand (participates in β ladder)trans-123.9118.9170-172.30000109.5L112 L126 L132 L137 A154 E156 L157 N158L112-V135 HydrophobicContact CD2-CG1 4.44Å; L112-V135 WeakPolarHBondContact O-CA 3.41Å; L126-V135 HydrophobicContact CD1-CG1 4.02Å; L132-V135 HydrophobicContact CB-CG2 4.42Å; L132-V135 HydrophobicContact CD1-CG2 3.6Å; L132-V135 HydrophobicContact CD2-CG2 4.09Å; L132-V135 HydrophobicContact CG-CG2 4.27Å; V135-L137 HydrophobicContact CG1-CD1 4.37Å; V135-L137 HydrophobicContact CG1-CD2 4.2Å; V135-L137 HydrophobicContact CG1-CG 3.91Å; V135-A154 HydrophobicContact CG2-CB 3.99Å; V135-E156 PolarHBondContact N-O 2.81Å; V135-L157 HydrophobicContact CB-CD1 4.12Å; V135-L157 HydrophobicContact CG1-CD1 4.22Å; V135-N158 PolarHBondContact O-N 3.01Å
136D98.8Very high97Very high32 Ų3242.2 Ų42.217%0.17122%0.215CC..EExtended strand (participates in β ladder)trans-107.1109.9173.3-1720.4000111L112 L114 S115 S138 N158L112-D136 PolarHBondContact O-N 2.96Å; L114-D136 CarbonylContact C-O 3.21Å; L114-D136 WeakPolarHBondContact CA-O 3.23Å; L114-D136 PolarHBondContact N-O 3.4Å; S115-D136 PolarHBondContact N-O 2.96Å; D136-S138 WeakPolarHBondContact OD1-CB 3.28Å; D136-S138 PolarHBondContact OD1-N 3.36Å; D136-S138 PolarHBondContact OD1-OG 3.16Å; D136-N158 PolarHBondContact OD1-ND2 2.92Å
137L98.8Very high97Very high0 Ų047.5 Ų47.50%024%0.244CC..  trans-113.117.1174.4-61179.5000111.4L114 L119 V122 L126 V135 N140 I142 L157 N158 L159 N162L114-L137 HydrophobicContact CB-CD2 3.97Å; L114-L137 HydrophobicContact CD1-CD2 3.81Å; L119-L137 HydrophobicContact CD1-CD2 3.85Å; V122-L137 HydrophobicContact CG1-CD1 4.07Å; V122-L137 HydrophobicContact CG2-CD1 4.4Å; L126-L137 HydrophobicContact CD1-CD1 4.12Å; V135-L137 HydrophobicContact CG1-CD1 4.37Å; V135-L137 HydrophobicContact CG1-CD2 4.2Å; V135-L137 HydrophobicContact CG1-CG 3.91Å; L137-N140 PolarHBondContact O-ND2 3.41Å; L137-I142 HydrophobicContact CB-CD1 3.9Å; L137-I142 HydrophobicContact CD1-CD1 4.05Å; L137-L157 HydrophobicContact CD1-CD1 4.2Å; L137-N158 CarbonylContact C-O 3.16Å; L137-N158 WeakPolarHBondContact CA-O 3.41Å; L137-N158 PolarHBondContact N-O 3.46Å; L137-L159 HydrophobicContact CB-CD2 3.87Å; L137-L159 HydrophobicContact CD1-CD2 3.97Å; L137-N162 PolarHBondContact O-ND2 2.93Å
138S98.8Very high97.1Very high11 Ų1149.1 Ų49.18%0.07725%0.253CS..  trans-61.5160.9-178.860.70000112.7S115 G116 D136 N140 N158 N160S115-S138 CarbonylContact C-O 3.58Å; S115-S138 WeakPolarHBondContact CA-O 3.46Å; S115-S138 WeakPolarHBondContact CB-OG 3.27Å; S115-S138 PolarHBondContact OG-O 3.33Å; S115-S138 PolarHBondContact OG-OG 3.19Å; G116-S138 PolarHBondContact N-O 2.94Å; D136-S138 WeakPolarHBondContact OD1-CB 3.28Å; D136-S138 PolarHBondContact OD1-N 3.36Å; D136-S138 PolarHBondContact OD1-OG 3.16Å; S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact O-N 3Å; S138-N140 PolarHBondContact O-ND2 3.48Å; S138-N158 PolarHBondContact N-O 3.15Å; S138-N160 CarbonylContact C-O 3.39Å; S138-N160 WeakPolarHBondContact CA-O 3.45Å; S138-N160 VanDerWaalsContact CB-O 3.23Å; S138-N160 WeakPolarHBondContact CB-O 3.23Å
139K98.7Very high97.2Very high117 Ų11747.3 Ų47.351%0.50923%0.234SC..SBendtrans5543.9176.3-64.1172.9177.41760112.8G116 N117 N160 Q161G116-K139 WeakPolarHBondContact CA-O 3.06Å; G116-K139 PolarHBondContact N-O 3.46Å; N117-K139 PolarHBondContact N-O 3.04Å; K139-N160 PolarHBondContact N-O 2.95Å; K139-Q161 WeakPolarHBondContact CA-O 3.26Å; K139-Q161 HydrophobicContact CG-CB 3.88Å; K139-Q161 PolarHBondContact N-O 3.21Å
140N98.8Very high97.2Very high10 Ų1048 Ų485%0.05324%0.241CC..SBendtrans-115.5-164.2174.4-85.7-85.7000109.5L114 N117 Q118 L119 L137 S138 I142 Q161 N162L114-N140 PolarHBondContact O-ND2 2.93Å; N117-N140 VanDerWaalsContact CA-OD1 3.27Å; N117-N140 WeakPolarHBondContact CA-OD1 3.29Å; N117-N140 WeakPolarHBondContact CB-OD1 3.42Å; N117-N140 PolarHBondContact N-OD1 2.97Å; N117-N140 PolarHBondContact O-OD1 2.97Å; Q118-N140 PolarHBondContact N-OD1 2.9Å; L119-N140 HydrophobicContact CB-CB 4.23Å; L119-N140 WeakPolarHBondContact CB-OD1 3.44Å; L119-N140 WeakPolarHBondContact CG-OD1 3.4Å; L119-N140 PolarHBondContact N-OD1 3.08Å; L137-N140 PolarHBondContact O-ND2 3.41Å; S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact O-N 3Å; S138-N140 PolarHBondContact O-ND2 3.48Å; N140-I142 HydrophobicContact CB-CD1 4.26Å; N140-I142 HydrophobicContact CB-CG1 4.07Å; N140-Q161 PolarHBondContact N-O 3.08Å; N140-N162 WeakPolarHBondContact CA-OD1 3.35Å; N140-N162 WeakPolarHBondContact CB-OD1 3.31Å; N140-N162 PolarHBondContact N-OD1 3.37Å; N140-N162 PolarHBondContact O-OD1 3.03Å
141Q98.4Very high97.4Very high62 Ų6245 Ų4529%0.2924%0.235SC..  trans-115.229.1178.9-60.8168.627.600110.6L119 R120 Q143 N162L119-Q141 CarbonylContact O-C 3.39Å; L119-Q141 VanDerWaalsContact O-CA 3.28Å; L119-Q141 WeakPolarHBondContact O-CA 3.46Å; L119-Q141 PolarHBondContact O-N 2.96Å; R120-Q141 WeakPolarHBondContact CA-O 3.4Å; R120-Q141 HydrophobicContact CG-CB 4.28Å; Q141-Q143 PolarHBondContact O-N 2.93Å; Q141-N162 PolarHBondContact N-OD1 2.95Å
142I98.6Very high97.5Very high0 Ų039.8 Ų39.80%021%0.211CC..  trans-70.5125.7-173.8-60.4171.9000109.3L119 R120 V122 L137 N140 S144 L159 N162 Q163 I164L119-I142 HydrophobicContact CB-CG1 4.33Å; L119-I142 PolarHBondContact O-N 2.86Å; R120-I142 WeakPolarHBondContact O-CA 3.42Å; V122-I142 HydrophobicContact CG2-CD1 4.38Å; V122-I142 HydrophobicContact CG2-CG2 4.07Å; L137-I142 HydrophobicContact CB-CD1 3.9Å; L137-I142 HydrophobicContact CD1-CD1 4.05Å; N140-I142 HydrophobicContact CB-CD1 4.26Å; N140-I142 HydrophobicContact CB-CG1 4.07Å; I142-S144 WeakPolarHBondContact CG2-O 3.21Å; I142-L159 HydrophobicContact CD1-CD2 3.77Å; I142-N162 HydrophobicContact CB-CB 4.2Å; I142-N162 WeakPolarHBondContact CB-OD1 3.3Å; I142-N162 WeakPolarHBondContact CG1-OD1 3.11Å; I142-N162 PolarHBondContact N-OD1 3.27Å; I142-Q163 CarbonylContact O-C 3.12Å; I142-Q163 WeakPolarHBondContact O-CA 3.29Å; I142-Q163 PolarHBondContact O-N 2.96Å; I142-I164 HydrophobicContact CB-CG1 4.34Å; I142-I164 HydrophobicContact CG2-CD1 4.29Å; I142-I164 HydrophobicContact CG2-CG1 4.02Å; I142-I164 WeakPolarHBondContact O-CG1 3.43Å; I142-I164 PolarHBondContact O-N 3.46Å; I142-I164 VanDerWaalsContact O-N 3.11Å
143Q97.7Very high97.5Very high102 Ų10242.6 Ų42.648%0.47722%0.224SC..  trans-100.9-25.5-177.4-64.9178.89.400113.5R120 Q141 Q163 I164 S165R120-Q143 PolarHBondContact O-N 2.97Å; Q141-Q143 PolarHBondContact O-N 2.93Å; Q143-Q163 WeakPolarHBondContact CA-O 3.29Å; Q143-Q163 HydrophobicContact CG-CB 4.24Å; Q143-I164 WeakPolarHBondContact O-CA 3.27Å; Q143-S165 PolarHBondContact O-N 3.38Å
144S96.5Very high97.5Very high40 Ų4040.1 Ų40.128%0.2821%0.211SC..EExtended strand (participates in β ladder)trans-150.6153.2-179.461.40000112.3I142 Q166I142-S144 WeakPolarHBondContact CG2-O 3.21Å; S144-Q166 WeakPolarHBondContact CA-O 3.19Å
145V96.9Very high97.4Very high4 Ų440.2 Ų40.22%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-99.8112.6169.4-174.60000108.2V122 V149 L159 I164 Q166 I167 S168 I171V122-V145 HydrophobicContact CG2-CG1 4.46Å; V122-V145 HydrophobicContact CG2-CG2 4.41Å; V145-V149 HydrophobicContact CG1-CB 3.75Å; V145-V149 HydrophobicContact CG1-CG1 3.72Å; V145-V149 HydrophobicContact CG1-CG2 3.77Å; V145-L159 HydrophobicContact CG2-CD1 3.85Å; V145-I164 HydrophobicContact CG2-CD1 4.21Å; V145-I164 HydrophobicContact CG2-CG2 4.29Å; V145-Q166 PolarHBondContact N-O 2.89Å; V145-I167 HydrophobicContact CB-CG1 4.43Å; V145-I167 HydrophobicContact CB-CG2 4.27Å; V145-I167 HydrophobicContact CG2-CG1 4.06Å; V145-S168 WeakPolarHBondContact O-CB 3.44Å; V145-S168 PolarHBondContact O-N 2.97Å; V145-I171 HydrophobicContact CG1-CD1 4.36Å
146P96.4Very high97.4Very high40 Ų4042.3 Ų42.326%0.2622%0.219SC..  trans-77.4165.7-174.532.9-36.8000113V122 T148 V149V122-P146 HydrophobicContact CB-CG 4.47Å; P146-T148 WeakPolarHBondContact CG-OG1 3.38Å; P146-T148 PolarHBondContact O-N 3.07Å; P146-V149 VanDerWaalsContact O-CB 3.31Å; P146-V149 WeakPolarHBondContact O-CB 3.29Å; P146-V149 WeakPolarHBondContact O-CG1 3.31Å; P146-V149 PolarHBondContact O-N 3.47Å; P146-V149 VanDerWaalsContact O-N 3.07Å
147D96.5Very high97.4Very high112 Ų11240.8 Ų40.860%0.59921%0.211SC*.G310 helixtrans-57.8-30.6178.3-71.2-7.3000114.1V149 G150 S168 Q170D147-V149 PolarHBondContact O-N 3.37Å; D147-G150 PolarHBondContact O-N 3.35Å; D147-S168 WeakPolarHBondContact CA-OG 3.44Å; D147-S168 WeakPolarHBondContact OD1-CB 3.35Å; D147-S168 PolarHBondContact OD1-OG 3.19Å; D147-Q170 HydrophobicContact CB-CG 3.99Å; D147-Q170 VanDerWaalsContact O-CB 3.24Å; D147-Q170 WeakPolarHBondContact O-CB 3.33Å
148T95.6Very high97.4Very high54 Ų5442 Ų4233%0.33122%0.217SC..G310 helixtrans-59.6-19.5177.751.80000113T124 C127 P146 G150 E151T124-T148 HydrophobicContact CG2-CG2 4.16Å; T124-T148 WeakPolarHBondContact CG2-OG1 3.35Å; C127-T148 PolarHBondContact SG-O 2.8Å; P146-T148 WeakPolarHBondContact CG-OG1 3.38Å; P146-T148 PolarHBondContact O-N 3.07Å; T148-G150 PolarHBondContact O-N 3.01Å; T148-G150 VanDerWaalsContact O-N 3.11Å; T148-E151 PolarHBondContact O-N 3.11Å; T148-E151 VanDerWaalsContact O-N 3.16Å
149V96.1Very high97.4Very high2 Ų241.4 Ų41.41%0.01221%0.213CC..G310 helixtrans-57-26.7176.877.10000112.5V145 P146 D147 E151 L152 L157 Q170 I171 C174V145-V149 HydrophobicContact CG1-CB 3.75Å; V145-V149 HydrophobicContact CG1-CG1 3.72Å; V145-V149 HydrophobicContact CG1-CG2 3.77Å; P146-V149 VanDerWaalsContact O-CB 3.31Å; P146-V149 WeakPolarHBondContact O-CB 3.29Å; P146-V149 WeakPolarHBondContact O-CG1 3.31Å; P146-V149 PolarHBondContact O-N 3.47Å; P146-V149 VanDerWaalsContact O-N 3.07Å; D147-V149 PolarHBondContact O-N 3.37Å; V149-E151 PolarHBondContact O-N 3.07Å; V149-E151 VanDerWaalsContact O-N 3.07Å; V149-L152 HydrophobicContact CG2-CB 4.41Å; V149-L152 HydrophobicContact CG2-CD2 4.25Å; V149-L152 WeakPolarHBondContact O-CB 3.48Å; V149-L152 PolarHBondContact O-N 3.03Å; V149-L157 HydrophobicContact CG2-CD2 4.42Å; V149-Q170 HydrophobicContact CG1-CB 4.5Å; V149-I171 HydrophobicContact CG1-CB 3.9Å; V149-I171 HydrophobicContact CG1-CG1 4.32Å; V149-I171 HydrophobicContact CG2-CG1 4.44Å; V149-C174 PolarHBondContact O-SG 3.12Å
150G95.9Very high97.4Very high14 Ų1437 Ų3714%0.14420%0.195CC..G310 helixtrans-59.9-21.1179.600000114.3D147 T148 Q170D147-G150 PolarHBondContact O-N 3.35Å; T148-G150 PolarHBondContact O-N 3.01Å; T148-G150 VanDerWaalsContact O-N 3.11Å; G150-Q170 WeakPolarHBondContact CA-O 3.37Å
151E96.3Very high97.4Very high130 Ų13040.1 Ų40.161%0.60721%0.21SC*.G310 helixtrans-86.2-6.7176.1-64.3179.5-170.800113.5C127 T148 V149 Q153C127-E151 HydrophobicContact CB-CB 3.83Å; T148-E151 PolarHBondContact O-N 3.11Å; T148-E151 VanDerWaalsContact O-N 3.16Å; V149-E151 PolarHBondContact O-N 3.07Å; V149-E151 VanDerWaalsContact O-N 3.07Å; E151-Q153 PolarHBondContact O-N 3.18Å
152L96.9Very high97.4Very high2 Ų237.7 Ų37.71%0.0120%0.199CC..  trans-63.9124.2-175.4-176.367.6000111.5L126 L132 V149 A154 L157L126-L152 HydrophobicContact CB-CD1 3.89Å; L132-L152 HydrophobicContact CD1-CD1 4.43Å; V149-L152 HydrophobicContact CG2-CB 4.41Å; V149-L152 HydrophobicContact CG2-CD2 4.25Å; V149-L152 WeakPolarHBondContact O-CB 3.48Å; V149-L152 PolarHBondContact O-N 3.03Å; L152-A154 HydrophobicContact CD1-CB 4.17Å; L152-A154 HydrophobicContact CD2-CB 4Å; L152-A154 HydrophobicContact CG-CB 3.84Å; L152-A154 PolarHBondContact O-N 3.4Å; L152-L157 HydrophobicContact CD2-CD1 4.46Å; L152-L157 HydrophobicContact CD2-CD2 3.92Å
153Q96.5Very high97.4Very high59 Ų5942 Ų4228%0.27622%0.219SC..  trans-94.821.5-178.3-61.1-69.6-27.600113.5E151 P175 R176E151-Q153 PolarHBondContact O-N 3.18Å; Q153-P175 VanDerWaalsContact NE2-CG 3.3Å; Q153-P175 VanDerWaalsContact OE1-CG 3.32Å; Q153-R176 WeakPolarHBondContact O-CD 3.34Å; Q153-R176 PolarHBondContact O-NH1 3.25Å
154A97.5Very high97.5Very high0 Ų037.1 Ų37.10%020%0.196CC..  trans-83.8153.2-178.100000112.8L132 V135 L152 R176 L177L132-A154 HydrophobicContact CB-CB 4.1Å; L132-A154 WeakPolarHBondContact O-CA 3.23Å; V135-A154 HydrophobicContact CG2-CB 3.99Å; L152-A154 HydrophobicContact CD1-CB 4.17Å; L152-A154 HydrophobicContact CD2-CB 4Å; L152-A154 HydrophobicContact CG-CB 3.84Å; L152-A154 PolarHBondContact O-N 3.4Å; A154-R176 CarbonylContact O-C 3.47Å; A154-L177 VanDerWaalsContact O-CA 3.24Å; A154-L177 WeakPolarHBondContact O-CA 3.43Å; A154-L177 PolarHBondContact O-N 2.84Å
155I98Very high97.5Very high53 Ų5337.6 Ų37.627%0.27220%0.2SC..SBendtrans-87.1-41.7172.6-58.1175000110.6D133 R176 K178 V179D133-I155 HydrophobicContact CB-CD1 4.1Å; D133-I155 CarbonylContact O-C 3.56Å; D133-I155 WeakPolarHBondContact O-CA 3.21Å; D133-I155 VanDerWaalsContact O-CB 3.29Å; D133-I155 WeakPolarHBondContact O-CB 3.1Å; D133-I155 PolarHBondContact O-N 2.87Å; D133-I155 VanDerWaalsContact OD1-CD1 3.31Å; D133-I155 WeakPolarHBondContact OD1-CD1 3.41Å; I155-R176 WeakPolarHBondContact CA-O 3.48Å; I155-K178 HydrophobicContact CG2-CB 4.2Å; I155-K178 HydrophobicContact CG2-CD 4.24Å; I155-K178 HydrophobicContact CG2-CG 4.42Å; I155-K178 PolarHBondContact O-N 3.4Å; I155-V179 PolarHBondContact O-N 3.08Å; I155-V179 VanDerWaalsContact O-N 3.08Å
156E98.4Very high97.5Very high45 Ų4542.5 Ų42.521%0.2122%0.222CC..EExtended strand (participates in β ladder)trans-125.3128-180178.9161.7-179.500110.9D133 V134 V135 V179 R181D133-E156 PolarHBondContact O-N 2.75Å; V134-E156 HydrophobicContact CG2-CB 4.41Å; V135-E156 PolarHBondContact N-O 2.81Å; E156-V179 WeakPolarHBondContact CA-O 3.32Å; E156-V179 HydrophobicContact CB-CB 3.94Å; E156-V179 HydrophobicContact CB-CG1 4.42Å; E156-V179 HydrophobicContact CG-CB 3.81Å; E156-V179 HydrophobicContact CG-CG1 3.74Å; E156-R181 IonicContact OE1-CZ 2.79Å; E156-R181 IonicContact OE1-NE 3.55Å; E156-R181 PolarHBondContact OE1-NE 2.82Å; E156-R181 IonicContact OE1-NH2 2.79Å; E156-R181 PolarHBondContact OE1-NH2 2.79Å
157L98.6Very high97.5Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-120.4112.5171.7179.259.7000108.9V135 L137 V149 L152 L159 L177 V179 L180 R181V135-L157 HydrophobicContact CB-CD1 4.12Å; V135-L157 HydrophobicContact CG1-CD1 4.22Å; L137-L157 HydrophobicContact CD1-CD1 4.2Å; V149-L157 HydrophobicContact CG2-CD2 4.42Å; L152-L157 HydrophobicContact CD2-CD1 4.46Å; L152-L157 HydrophobicContact CD2-CD2 3.92Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 3.75Å; L157-L159 HydrophobicContact CD2-CG 4.33Å; L157-L159 HydrophobicContact CG-CD1 3.94Å; L157-L159 HydrophobicContact CG-CG 3.99Å; L157-L177 HydrophobicContact CB-CD1 3.71Å; L157-V179 PolarHBondContact N-O 3.5Å; L157-L180 HydrophobicContact CB-CD1 4.34Å; L157-L180 HydrophobicContact CD2-CD1 4.23Å; L157-L180 HydrophobicContact CG-CD1 4.36Å; L157-R181 PolarHBondContact O-N 3.24Å
158N98.8Very high97.5Very high24 Ų2436.6 Ų36.613%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-100.2116.5174.5-175.73.4000110.4V135 D136 L137 S138 N160 R181V135-N158 PolarHBondContact O-N 3.01Å; D136-N158 PolarHBondContact OD1-ND2 2.92Å; L137-N158 CarbonylContact C-O 3.16Å; L137-N158 WeakPolarHBondContact CA-O 3.41Å; L137-N158 PolarHBondContact N-O 3.46Å; S138-N158 PolarHBondContact N-O 3.15Å; N158-N160 VanDerWaalsContact OD1-CB 3.31Å; N158-N160 WeakPolarHBondContact OD1-CB 3.46Å; N158-N160 PolarHBondContact OD1-N 3.07Å; N158-N160 PolarHBondContact OD1-OD1 2.82Å; N158-R181 HydrophobicContact CB-CB 4.47Å
159L98.8Very high97.6Very high0 Ų037.6 Ų37.60%020%0.195CC..  trans-120.717.9178.6-72.6164.4000111.8V122 L137 I142 V145 L157 N162 I164 L180 R181 L182 N185V122-L159 HydrophobicContact CG2-CD2 4.09Å; L137-L159 HydrophobicContact CB-CD2 3.87Å; L137-L159 HydrophobicContact CD1-CD2 3.97Å; I142-L159 HydrophobicContact CD1-CD2 3.77Å; V145-L159 HydrophobicContact CG2-CD1 3.85Å; L157-L159 HydrophobicContact CD1-CG 4.23Å; L157-L159 HydrophobicContact CD2-CD1 3.75Å; L157-L159 HydrophobicContact CD2-CG 4.33Å; L157-L159 HydrophobicContact CG-CD1 3.94Å; L157-L159 HydrophobicContact CG-CG 3.99Å; L159-N162 PolarHBondContact O-ND2 2.88Å; L159-I164 HydrophobicContact CB-CD1 3.69Å; L159-I164 HydrophobicContact CD1-CD1 3.96Å; L159-I164 HydrophobicContact CD2-CD1 4.07Å; L159-I164 HydrophobicContact CG-CD1 4.13Å; L159-L180 HydrophobicContact CD1-CD1 4.36Å; L159-R181 CarbonylContact C-O 3.46Å; L159-R181 WeakPolarHBondContact CA-O 3.24Å; L159-R181 WeakPolarHBondContact CB-O 3.43Å; L159-R181 PolarHBondContact N-O 2.85Å; L159-L182 HydrophobicContact CB-CD2 3.9Å; L159-L182 HydrophobicContact CD1-CD2 3.89Å; L159-N185 PolarHBondContact O-ND2 3.17Å
160N98.8Very high97.6Very high24 Ų2440.8 Ų40.813%0.12821%0.21CC..  trans-56.7150.7-179-70.91.2000112.3S138 K139 N158 N162 R181 L182 E183S138-N160 CarbonylContact C-O 3.39Å; S138-N160 WeakPolarHBondContact CA-O 3.45Å; S138-N160 VanDerWaalsContact CB-O 3.23Å; S138-N160 WeakPolarHBondContact CB-O 3.23Å; K139-N160 PolarHBondContact N-O 2.95Å; N158-N160 VanDerWaalsContact OD1-CB 3.31Å; N158-N160 WeakPolarHBondContact OD1-CB 3.46Å; N158-N160 PolarHBondContact OD1-N 3.07Å; N158-N160 PolarHBondContact OD1-OD1 2.82Å; N160-N162 PolarHBondContact O-N 3Å; N160-N162 PolarHBondContact O-ND2 3.26Å; N160-R181 WeakPolarHBondContact OD1-CB 3.49Å; N160-R181 PolarHBondContact OD1-O 3.16Å; N160-L182 PolarHBondContact OD1-N 2.98Å; N160-L182 VanDerWaalsContact OD1-N 3.14Å; N160-E183 CarbonylContact C-O 3.54Å; N160-E183 WeakPolarHBondContact CA-O 3.44Å; N160-E183 HydrophobicContact CB-CB 4.4Å; N160-E183 PolarHBondContact ND2-OE2 3.36Å; N160-E183 PolarHBondContact OD1-N 2.95Å
161Q98.6Very high97.7Very high75 Ų7540.1 Ų40.135%0.3520%0.203SC..SBendtrans56.553.2174.2-64.8179.53.700112.1K139 N140 E183 E184K139-Q161 WeakPolarHBondContact CA-O 3.26Å; K139-Q161 HydrophobicContact CG-CB 3.88Å; K139-Q161 PolarHBondContact N-O 3.21Å; N140-Q161 PolarHBondContact N-O 3.08Å; Q161-E183 PolarHBondContact N-O 3.28Å; Q161-E184 VanDerWaalsContact CA-O 3.22Å; Q161-E184 WeakPolarHBondContact CA-O 3.32Å; Q161-E184 HydrophobicContact CG-CB 3.77Å; Q161-E184 HydrophobicContact CG-CG 4.39Å; Q161-E184 WeakPolarHBondContact CG-OE2 3.35Å; Q161-E184 PolarHBondContact N-O 3.04Å; Q161-E184 PolarHBondContact NE2-OE2 3.4Å
162N98.8Very high97.7Very high11 Ų1134.3 Ų34.36%0.05918%0.176CC..SBendtrans-122.2-166.5172.6-85.3-80000109L137 N140 Q141 I142 L159 N160 I164 E184 N185L137-N162 PolarHBondContact O-ND2 2.93Å; N140-N162 WeakPolarHBondContact CA-OD1 3.35Å; N140-N162 WeakPolarHBondContact CB-OD1 3.31Å; N140-N162 PolarHBondContact N-OD1 3.37Å; N140-N162 PolarHBondContact O-OD1 3.03Å; Q141-N162 PolarHBondContact N-OD1 2.95Å; I142-N162 HydrophobicContact CB-CB 4.2Å; I142-N162 WeakPolarHBondContact CB-OD1 3.3Å; I142-N162 WeakPolarHBondContact CG1-OD1 3.11Å; I142-N162 PolarHBondContact N-OD1 3.27Å; L159-N162 PolarHBondContact O-ND2 2.88Å; N160-N162 PolarHBondContact O-N 3Å; N160-N162 PolarHBondContact O-ND2 3.26Å; N162-I164 HydrophobicContact CB-CD1 4.15Å; N162-I164 HydrophobicContact CB-CG1 3.92Å; N162-E184 PolarHBondContact N-O 3.27Å; N162-N185 VanDerWaalsContact CA-OD1 3.29Å; N162-N185 WeakPolarHBondContact CA-OD1 3.45Å; N162-N185 WeakPolarHBondContact CB-OD1 3.48Å; N162-N185 PolarHBondContact N-OD1 3.32Å; N162-N185 PolarHBondContact O-OD1 3.07Å
163Q98.3Very high97.7Very high90 Ų9040 Ų4042%0.42120%0.203SC..  trans-11429.3179.1-64.2165.230.800110.4I142 Q143 S165 N185I142-Q163 CarbonylContact O-C 3.12Å; I142-Q163 WeakPolarHBondContact O-CA 3.29Å; I142-Q163 PolarHBondContact O-N 2.96Å; Q143-Q163 WeakPolarHBondContact CA-O 3.29Å; Q143-Q163 HydrophobicContact CG-CB 4.24Å; Q163-S165 PolarHBondContact O-N 3.11Å; Q163-N185 PolarHBondContact N-OD1 3.45Å
164I98.4Very high97.7Very high0 Ų037.2 Ų37.20%019%0.19CC..  trans-68.9120.5-170-59.3170.6000108.9I142 Q143 V145 L159 N162 Q166 I167 L182 N185 C186 L187I142-I164 HydrophobicContact CB-CG1 4.34Å; I142-I164 HydrophobicContact CG2-CD1 4.29Å; I142-I164 HydrophobicContact CG2-CG1 4.02Å; I142-I164 WeakPolarHBondContact O-CG1 3.43Å; I142-I164 PolarHBondContact O-N 3.46Å; I142-I164 VanDerWaalsContact O-N 3.11Å; Q143-I164 WeakPolarHBondContact O-CA 3.27Å; V145-I164 HydrophobicContact CG2-CD1 4.21Å; V145-I164 HydrophobicContact CG2-CG2 4.29Å; L159-I164 HydrophobicContact CB-CD1 3.69Å; L159-I164 HydrophobicContact CD1-CD1 3.96Å; L159-I164 HydrophobicContact CD2-CD1 4.07Å; L159-I164 HydrophobicContact CG-CD1 4.13Å; N162-I164 HydrophobicContact CB-CD1 4.15Å; N162-I164 HydrophobicContact CB-CG1 3.92Å; I164-Q166 WeakPolarHBondContact CG2-O 3.34Å; I164-I167 HydrophobicContact CG2-CG1 3.96Å; I164-L182 HydrophobicContact CD1-CD2 3.86Å; I164-N185 HydrophobicContact CB-CB 4.29Å; I164-N185 VanDerWaalsContact CB-OD1 3.27Å; I164-N185 WeakPolarHBondContact CB-OD1 3.32Å; I164-N185 VanDerWaalsContact CG1-OD1 3.29Å; I164-N185 WeakPolarHBondContact CG1-OD1 3.41Å; I164-N185 PolarHBondContact N-OD1 3.24Å; I164-C186 CarbonylContact O-C 3.57Å; I164-C186 VanDerWaalsContact O-CA 3.3Å; I164-C186 WeakPolarHBondContact O-CA 3.24Å; I164-C186 PolarHBondContact O-N 3.37Å; I164-L187 HydrophobicContact CG2-CD2 3.9Å; I164-L187 HydrophobicContact CG2-CG 4.37Å; I164-L187 WeakPolarHBondContact O-CG 3.25Å; I164-L187 PolarHBondContact O-N 2.97Å; I164-L187 VanDerWaalsContact O-N 3.12Å
165S97.2Very high97.6Very high51 Ų5140.4 Ų40.436%0.35721%0.211SC..  trans-114.1-13.6172.859.60000112.5Q143 Q163 M191Q143-S165 PolarHBondContact O-N 3.38Å; Q163-S165 PolarHBondContact O-N 3.11Å; S165-M191 WeakPolarHBondContact O-CB 3.37Å; S165-M191 WeakPolarHBondContact O-CG 3.44Å
166Q96.5Very high97.5Very high107 Ų10741.7 Ų41.750%0.521%0.212SC..EExtended strand (participates in β ladder)trans-136.8135.9-178.3-44.7-163-3900112S144 V145 I164 M191S144-Q166 WeakPolarHBondContact CA-O 3.19Å; V145-Q166 PolarHBondContact N-O 2.89Å; I164-Q166 WeakPolarHBondContact CG2-O 3.34Å; Q166-M191 HydrophobicContact CB-CE 3.79Å; Q166-M191 HydrophobicContact CG-CE 3.45Å; Q166-M191 VanDerWaalsContact CG-CE 3.45Å
167I96.8Very high97.5Very high15 Ų1539.7 Ų39.78%0.07720%0.203CC..EExtended strand (participates in β ladder)trans-126.2127.6174.2-62.7163.1000109.1V145 I164 I171 L182 L187 L192 P193V145-I167 HydrophobicContact CB-CG1 4.43Å; V145-I167 HydrophobicContact CB-CG2 4.27Å; V145-I167 HydrophobicContact CG2-CG1 4.06Å; I164-I167 HydrophobicContact CG2-CG1 3.96Å; I167-I171 HydrophobicContact CG2-CB 4.28Å; I167-I171 HydrophobicContact CG2-CD1 4.08Å; I167-I171 HydrophobicContact CG2-CG2 3.79Å; I167-L182 HydrophobicContact CD1-CD1 3.46Å; I167-L182 VanDerWaalsContact CD1-CD1 3.46Å; I167-L182 HydrophobicContact CD1-CD2 4.05Å; I167-L182 HydrophobicContact CD1-CG 4.4Å; I167-L187 HydrophobicContact CD1-CD1 3.55Å; I167-L187 HydrophobicContact CD1-CD2 3.61Å; I167-L187 HydrophobicContact CD1-CG 4.23Å; I167-L187 HydrophobicContact CG1-CD2 3.84Å; I167-L192 HydrophobicContact CD1-CD1 4.26Å; I167-P193 HydrophobicContact CB-CG 4.3Å; I167-P193 HydrophobicContact CG2-CG 4.1Å; I167-P193 WeakPolarHBondContact O-CG 3.35Å
168S96.8Very high97.4Very high13 Ų1345 Ų459%0.09123%0.226CC..  trans-63.4141.8171.71760000112.2V145 D147 Q170 I171V145-S168 WeakPolarHBondContact O-CB 3.44Å; V145-S168 PolarHBondContact O-N 2.97Å; D147-S168 WeakPolarHBondContact CA-OG 3.44Å; D147-S168 WeakPolarHBondContact OD1-CB 3.35Å; D147-S168 PolarHBondContact OD1-OG 3.19Å; S168-Q170 PolarHBondContact O-N 3.38Å; S168-Q170 VanDerWaalsContact O-N 3.13Å; S168-Q170 WeakPolarHBondContact OG-CB 3.38Å; S168-Q170 WeakPolarHBondContact OG-CG 3.48Å; S168-Q170 PolarHBondContact OG-N 3.44Å; S168-Q170 VanDerWaalsContact OG-N 3.07Å; S168-I171 VanDerWaalsContact O-CG2 3.25Å; S168-I171 WeakPolarHBondContact O-CG2 3.43Å; S168-I171 PolarHBondContact O-N 3.26Å
169V97.1Very high97.4Very high75 Ų7544.9 Ų44.946%0.45523%0.226SC..G310 helixtrans-60-22.7172.6-29.50000112.1I171 S172 P193V169-I171 PolarHBondContact O-N 3.17Å; V169-S172 WeakPolarHBondContact O-CB 3.28Å; V169-S172 PolarHBondContact O-N 3.4Å; V169-S172 PolarHBondContact O-OG 2.93Å; V169-P193 HydrophobicContact CB-CB 4.43Å
170Q97.6Very high97.4Very high68 Ų6844.9 Ų44.932%0.31823%0.226SC..G310 helixtrans-65.2-18-178.4-62.3-56.5-25.600112.9D147 V149 G150 S168 S172 H173D147-Q170 HydrophobicContact CB-CG 3.99Å; D147-Q170 VanDerWaalsContact O-CB 3.24Å; D147-Q170 WeakPolarHBondContact O-CB 3.33Å; V149-Q170 HydrophobicContact CG1-CB 4.5Å; G150-Q170 WeakPolarHBondContact CA-O 3.37Å; S168-Q170 PolarHBondContact O-N 3.38Å; S168-Q170 VanDerWaalsContact O-N 3.13Å; S168-Q170 WeakPolarHBondContact OG-CB 3.38Å; S168-Q170 WeakPolarHBondContact OG-CG 3.48Å; S168-Q170 PolarHBondContact OG-N 3.44Å; S168-Q170 VanDerWaalsContact OG-N 3.07Å; Q170-S172 PolarHBondContact O-N 2.87Å; Q170-S172 VanDerWaalsContact O-N 3.13Å; Q170-H173 WeakPolarHBondContact O-CB 3.45Å; Q170-H173 PolarHBondContact O-N 3.49Å; Q170-H173 PolarHBondContact OE1-ND1 2.84Å
171I96.8Very high97.4Very high1 Ų147.1 Ų47.11%0.00523%0.233CC..G310 helixtrans-57.5-27.9173.8-160.2165.5000112.5V145 V149 I167 S168 V169 H173 C174 L177 L180 I196V145-I171 HydrophobicContact CG1-CD1 4.36Å; V149-I171 HydrophobicContact CG1-CB 3.9Å; V149-I171 HydrophobicContact CG1-CG1 4.32Å; V149-I171 HydrophobicContact CG2-CG1 4.44Å; I167-I171 HydrophobicContact CG2-CB 4.28Å; I167-I171 HydrophobicContact CG2-CD1 4.08Å; I167-I171 HydrophobicContact CG2-CG2 3.79Å; S168-I171 VanDerWaalsContact O-CG2 3.25Å; S168-I171 WeakPolarHBondContact O-CG2 3.43Å; S168-I171 PolarHBondContact O-N 3.26Å; V169-I171 PolarHBondContact O-N 3.17Å; I171-H173 VanDerWaalsContact C-N 3.26Å; I171-H173 PolarHBondContact O-N 3.07Å; I171-C174 WeakPolarHBondContact O-CB 3.4Å; I171-C174 PolarHBondContact O-N 3.22Å; I171-C174 PolarHBondContact O-SG 3.21Å; I171-L177 HydrophobicContact CD1-CD2 4.44Å; I171-L177 HydrophobicContact CG1-CD2 3.92Å; I171-L180 HydrophobicContact CD1-CD1 3.88Å; I171-L180 HydrophobicContact CD1-CD2 3.49Å; I171-L180 VanDerWaalsContact CD1-CD2 3.49Å; I171-L180 HydrophobicContact CD1-CG 4.35Å; I171-L180 HydrophobicContact CG1-CD2 4.3Å; I171-I196 HydrophobicContact CG2-CD1 3.66Å; I171-I196 HydrophobicContact CG2-CG1 3.68Å
172S96.7Very high97.3Very high7 Ų743.5 Ų43.55%0.04922%0.216CC..G310 helixtrans-70.7-21.8177-55.20000113.1V169 Q170 S195 I196V169-S172 WeakPolarHBondContact O-CB 3.28Å; V169-S172 PolarHBondContact O-N 3.4Å; V169-S172 PolarHBondContact O-OG 2.93Å; Q170-S172 PolarHBondContact O-N 2.87Å; Q170-S172 VanDerWaalsContact O-N 3.13Å; S172-S195 WeakPolarHBondContact CB-OG 3.33Å; S172-S195 WeakPolarHBondContact OG-CB 3.42Å; S172-S195 PolarHBondContact OG-O 2.9Å; S172-S195 PolarHBondContact OG-OG 3.42Å; S172-I196 PolarHBondContact OG-N 3.16Å; S172-I196 VanDerWaalsContact OG-N 3.11Å
173H96.5Very high97.3Very high121 Ų12145.1 Ų45.156%0.5622%0.223SC*.G310 helixtrans-88.4-1.6178.2-59.7114.8000113.6Q170 I171 P175Q170-H173 WeakPolarHBondContact O-CB 3.45Å; Q170-H173 PolarHBondContact O-N 3.49Å; Q170-H173 PolarHBondContact OE1-ND1 2.84Å; I171-H173 VanDerWaalsContact C-N 3.26Å; I171-H173 PolarHBondContact O-N 3.07Å; H173-P175 WeakPolarHBondContact O-CD 3.48Å; H173-P175 VanDerWaalsContact O-N 3.13Å
174C96.8Very high97.3Very high2 Ų246.2 Ų46.21%0.01423%0.228CC..  trans-58.8118177-66.40000109.8V149 I171 R176 L177V149-C174 PolarHBondContact O-SG 3.12Å; I171-C174 WeakPolarHBondContact O-CB 3.4Å; I171-C174 PolarHBondContact O-N 3.22Å; I171-C174 PolarHBondContact O-SG 3.21Å; C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 3.47Å; C174-L177 HydrophobicContact CB-CB 3.45Å; C174-L177 VanDerWaalsContact CB-CB 3.45Å; C174-L177 HydrophobicContact CB-CD2 4.08Å; C174-L177 HydrophobicContact CB-CG 4.41Å
175P95.2Very high97.3Very high67 Ų6746.6 Ų46.644%0.43523%0.23SC..SBendtrans-70.7-23.3-166.524.2-34.1000114Q153 H173Q153-P175 VanDerWaalsContact NE2-CG 3.3Å; Q153-P175 VanDerWaalsContact OE1-CG 3.32Å; H173-P175 WeakPolarHBondContact O-CD 3.48Å; H173-P175 VanDerWaalsContact O-N 3.13Å
176R96.3Very high97.3Very high80 Ų8046.8 Ų46.830%0.30223%0.231SC..SBendtrans-118.6-7.7-175.6-65.5-17968.7-139.41.7114.1L132 D133 Q153 A154 I155 C174 K178L132-R176 PolarHBondContact O-NH1 2.85Å; D133-R176 IonicContact OD1-CZ 3.85Å; D133-R176 IonicContact OD1-NH1 3.85Å; D133-R176 IonicContact OD1-NH2 2.93Å; D133-R176 PolarHBondContact OD1-NH2 3.47Å; Q153-R176 WeakPolarHBondContact O-CD 3.34Å; Q153-R176 PolarHBondContact O-NH1 3.25Å; A154-R176 CarbonylContact O-C 3.47Å; I155-R176 WeakPolarHBondContact CA-O 3.48Å; C174-R176 VanDerWaalsContact C-N 3.29Å; C174-R176 PolarHBondContact O-N 3.47Å; R176-K178 PolarHBondContact O-N 2.93Å
177L97.6Very high97.4Very high2 Ų241.7 Ų41.71%0.0121%0.207CC..  trans-73.1114.4-169.5-17267.4000111.2A154 L157 I171 C174 V179 Q201 I202A154-L177 VanDerWaalsContact O-CA 3.24Å; A154-L177 WeakPolarHBondContact O-CA 3.43Å; A154-L177 PolarHBondContact O-N 2.84Å; L157-L177 HydrophobicContact CB-CD1 3.71Å; I171-L177 HydrophobicContact CD1-CD2 4.44Å; I171-L177 HydrophobicContact CG1-CD2 3.92Å; C174-L177 HydrophobicContact CB-CB 3.45Å; C174-L177 VanDerWaalsContact CB-CB 3.45Å; C174-L177 HydrophobicContact CB-CD2 4.08Å; C174-L177 HydrophobicContact CB-CG 4.41Å; L177-V179 WeakPolarHBondContact CD1-O 3.37Å; L177-Q201 CarbonylContact O-C 3.19Å; L177-I202 HydrophobicContact CD2-CD1 4.16Å; L177-I202 HydrophobicContact CD2-CG1 4.33Å; L177-I202 HydrophobicContact CG-CG1 4.29Å; L177-I202 PolarHBondContact O-N 3.46Å
178K97.3Very high97.4Very high112 Ų11246 Ų4649%0.48723%0.227SC..  trans-111.6-29.1-179.2-68.4-178.8-176.7177.40112.9I155 R176 S203 L204I155-K178 HydrophobicContact CG2-CB 4.2Å; I155-K178 HydrophobicContact CG2-CD 4.24Å; I155-K178 HydrophobicContact CG2-CG 4.42Å; I155-K178 PolarHBondContact O-N 3.4Å; R176-K178 PolarHBondContact O-N 2.93Å; K178-S203 PolarHBondContact O-N 3.28Å; K178-S203 PolarHBondContact O-OG 3.34Å; K178-L204 PolarHBondContact O-N 2.87Å
179V98.3Very high97.3Very high21 Ų2147.2 Ų47.213%0.12723%0.232CC..EExtended strand (participates in β ladder)trans-123.6117.8-175.6-1770000108.5I155 E156 L157 L177 R181 L204I155-V179 PolarHBondContact O-N 3.08Å; I155-V179 VanDerWaalsContact O-N 3.08Å; E156-V179 WeakPolarHBondContact CA-O 3.32Å; E156-V179 HydrophobicContact CB-CB 3.94Å; E156-V179 HydrophobicContact CB-CG1 4.42Å; E156-V179 HydrophobicContact CG-CB 3.81Å; E156-V179 HydrophobicContact CG-CG1 3.74Å; L157-V179 PolarHBondContact N-O 3.5Å; L177-V179 WeakPolarHBondContact CD1-O 3.37Å; V179-R181 HydrophobicContact CG1-CG 4.16Å; V179-L204 WeakPolarHBondContact CA-O 3.45Å; V179-L204 HydrophobicContact CB-CB 4.49Å; V179-L204 HydrophobicContact CG1-CB 4.27Å; V179-L204 HydrophobicContact CG1-CD1 4.28Å; V179-L204 HydrophobicContact CG1-CD2 4.13Å; V179-L204 HydrophobicContact CG1-CG 4.45Å; V179-L204 HydrophobicContact CG2-CB 4.16Å
180L98.4Very high97.2Very high0 Ų048 Ų480%024%0.241CC..EExtended strand (participates in β ladder)trans-123.8118.6175.7177.559.1000108.8L157 L159 I171 L182 I196 I202 L204 L205 A206L157-L180 HydrophobicContact CB-CD1 4.34Å; L157-L180 HydrophobicContact CD2-CD1 4.23Å; L157-L180 HydrophobicContact CG-CD1 4.36Å; L159-L180 HydrophobicContact CD1-CD1 4.36Å; I171-L180 HydrophobicContact CD1-CD1 3.88Å; I171-L180 HydrophobicContact CD1-CD2 3.49Å; I171-L180 VanDerWaalsContact CD1-CD2 3.49Å; I171-L180 HydrophobicContact CD1-CG 4.35Å; I171-L180 HydrophobicContact CG1-CD2 4.3Å; L180-L182 HydrophobicContact CD1-CD1 4.25Å; L180-L182 HydrophobicContact CD1-CG 4.11Å; L180-L182 HydrophobicContact CD2-CD1 3.76Å; L180-L182 HydrophobicContact CD2-CG 4.49Å; L180-L182 HydrophobicContact CG-CD1 3.82Å; L180-L182 HydrophobicContact CG-CG 4.05Å; L180-I196 HydrophobicContact CD2-CD1 4.27Å; L180-I202 HydrophobicContact CB-CD1 4.23Å; L180-I202 HydrophobicContact CB-CG2 4.15Å; L180-I202 HydrophobicContact CD2-CD1 3.87Å; L180-L204 PolarHBondContact N-O 3.24Å; L180-L205 HydrophobicContact CB-CD1 4.21Å; L180-L205 HydrophobicContact CD2-CD1 3.96Å; L180-L205 HydrophobicContact CG-CD1 4.11Å; L180-L205 WeakPolarHBondContact O-CA 3.36Å; L180-A206 PolarHBondContact O-N 3.39Å
181R98.6Very high97.1Very high71 Ų7147.8 Ų47.827%0.26824%0.241SC..EExtended strand (participates in β ladder)trans-112.8125.1177.4-44.8177.4172.6-88.5-2109.7E156 L157 N158 L159 N160 V179 A206E156-R181 IonicContact OE1-CZ 2.79Å; E156-R181 IonicContact OE1-NE 3.55Å; E156-R181 PolarHBondContact OE1-NE 2.82Å; E156-R181 IonicContact OE1-NH2 2.79Å; E156-R181 PolarHBondContact OE1-NH2 2.79Å; L157-R181 PolarHBondContact O-N 3.24Å; N158-R181 HydrophobicContact CB-CB 4.47Å; L159-R181 CarbonylContact C-O 3.46Å; L159-R181 WeakPolarHBondContact CA-O 3.24Å; L159-R181 WeakPolarHBondContact CB-O 3.43Å; L159-R181 PolarHBondContact N-O 2.85Å; N160-R181 WeakPolarHBondContact OD1-CB 3.49Å; N160-R181 PolarHBondContact OD1-O 3.16Å; V179-R181 HydrophobicContact CG1-CG 4.16Å; R181-A206 HydrophobicContact CB-CB 4.33Å; R181-A206 HydrophobicContact CG-CB 4.44Å
182L98.3Very high97.1Very high0 Ų048 Ų480%024%0.242CC..  trans-135.723.7-174.9-71.6163.4000110.3L159 N160 I164 I167 L180 N185 L187 L205 A206 V207 N210L159-L182 HydrophobicContact CB-CD2 3.9Å; L159-L182 HydrophobicContact CD1-CD2 3.89Å; N160-L182 PolarHBondContact OD1-N 2.98Å; N160-L182 VanDerWaalsContact OD1-N 3.14Å; I164-L182 HydrophobicContact CD1-CD2 3.86Å; I167-L182 HydrophobicContact CD1-CD1 3.46Å; I167-L182 VanDerWaalsContact CD1-CD1 3.46Å; I167-L182 HydrophobicContact CD1-CD2 4.05Å; I167-L182 HydrophobicContact CD1-CG 4.4Å; L180-L182 HydrophobicContact CD1-CD1 4.25Å; L180-L182 HydrophobicContact CD1-CG 4.11Å; L180-L182 HydrophobicContact CD2-CD1 3.76Å; L180-L182 HydrophobicContact CD2-CG 4.49Å; L180-L182 HydrophobicContact CG-CD1 3.82Å; L180-L182 HydrophobicContact CG-CG 4.05Å; L182-N185 PolarHBondContact O-ND2 3.47Å; L182-N185 VanDerWaalsContact O-ND2 3.16Å; L182-L187 HydrophobicContact CB-CD1 4.09Å; L182-L187 HydrophobicContact CD1-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD1 4.33Å; L182-L187 HydrophobicContact CG-CD1 4.42Å; L182-L205 HydrophobicContact CD1-CD1 4.33Å; L182-A206 CarbonylContact C-O 3.41Å; L182-A206 WeakPolarHBondContact CA-O 3.42Å; L182-A206 PolarHBondContact N-O 3.11Å; L182-V207 HydrophobicContact CB-CG1 4.17Å; L182-V207 HydrophobicContact CD1-CG1 4.31Å; L182-N210 PolarHBondContact O-ND2 3.45Å
183E98.4Very high97Very high45 Ų4548.4 Ų48.421%0.2124%0.244CC..  trans-65.2148.5-177.5-58166.891.600110.6N160 Q161 N185 A206 E208N160-E183 CarbonylContact C-O 3.54Å; N160-E183 WeakPolarHBondContact CA-O 3.44Å; N160-E183 HydrophobicContact CB-CB 4.4Å; N160-E183 PolarHBondContact ND2-OE2 3.36Å; N160-E183 PolarHBondContact OD1-N 2.95Å; Q161-E183 PolarHBondContact N-O 3.28Å; E183-N185 PolarHBondContact O-ND2 3.07Å; E183-N185 VanDerWaalsContact O-ND2 3.1Å; E183-A206 HydrophobicContact CG-CB 3.69Å; E183-E208 CarbonylContact C-O 3.36Å; E183-E208 WeakPolarHBondContact CA-O 3.31Å; E183-E208 HydrophobicContact CG-CB 4.37Å
184E98.2Very high97Very high113 Ų11349.3 Ų49.353%0.52824%0.243SC..SBendtrans54.159.9177.2-60.2178.1-157.800112.2Q161 N162 E208 G209Q161-E184 VanDerWaalsContact CA-O 3.22Å; Q161-E184 WeakPolarHBondContact CA-O 3.32Å; Q161-E184 HydrophobicContact CG-CB 3.77Å; Q161-E184 HydrophobicContact CG-CG 4.39Å; Q161-E184 WeakPolarHBondContact CG-OE2 3.35Å; Q161-E184 PolarHBondContact N-O 3.04Å; Q161-E184 PolarHBondContact NE2-OE2 3.4Å; N162-E184 PolarHBondContact N-O 3.27Å; E184-E208 PolarHBondContact N-O 3.16Å; E184-G209 WeakPolarHBondContact CA-O 3.47Å
185N98.5Very high97Very high8 Ų850.5 Ų50.54%0.04325%0.251CS..SBendtrans-128.9-174.4177.4-87.6-81.1000110.4L159 N162 Q163 I164 L182 E183 N210L159-N185 PolarHBondContact O-ND2 3.17Å; N162-N185 VanDerWaalsContact CA-OD1 3.29Å; N162-N185 WeakPolarHBondContact CA-OD1 3.45Å; N162-N185 WeakPolarHBondContact CB-OD1 3.48Å; N162-N185 PolarHBondContact N-OD1 3.32Å; N162-N185 PolarHBondContact O-OD1 3.07Å; Q163-N185 PolarHBondContact N-OD1 3.45Å; I164-N185 HydrophobicContact CB-CB 4.29Å; I164-N185 VanDerWaalsContact CB-OD1 3.27Å; I164-N185 WeakPolarHBondContact CB-OD1 3.32Å; I164-N185 VanDerWaalsContact CG1-OD1 3.29Å; I164-N185 WeakPolarHBondContact CG1-OD1 3.41Å; I164-N185 PolarHBondContact N-OD1 3.24Å; L182-N185 PolarHBondContact O-ND2 3.47Å; L182-N185 VanDerWaalsContact O-ND2 3.16Å; E183-N185 PolarHBondContact O-ND2 3.07Å; E183-N185 VanDerWaalsContact O-ND2 3.1Å; N185-N210 WeakPolarHBondContact CA-OD1 3.43Å; N185-N210 WeakPolarHBondContact CB-OD1 3.36Å; N185-N210 PolarHBondContact O-OD1 3.15Å
186C97.8Very high97.1Very high54 Ų5447.3 Ų47.337%0.36523%0.23SC..  trans-105.628.7-178.2-600000112.4I164 L211I164-C186 CarbonylContact O-C 3.57Å; I164-C186 VanDerWaalsContact O-CA 3.3Å; I164-C186 WeakPolarHBondContact O-CA 3.24Å; I164-C186 PolarHBondContact O-N 3.37Å; C186-L211 HydrophobicContact CB-CD1 4.33Å; C186-L211 WeakPolarHBondContact O-CD1 3.44Å
187L97Very high97.1Very high0 Ų043.6 Ų43.60%022%0.216CC..  trans-76.1130.5-176.6-66.7162.5000110.9I164 I167 L182 N210 L211 F212I164-L187 HydrophobicContact CG2-CD2 3.9Å; I164-L187 HydrophobicContact CG2-CG 4.37Å; I164-L187 WeakPolarHBondContact O-CG 3.25Å; I164-L187 PolarHBondContact O-N 2.97Å; I164-L187 VanDerWaalsContact O-N 3.12Å; I167-L187 HydrophobicContact CD1-CD1 3.55Å; I167-L187 HydrophobicContact CD1-CD2 3.61Å; I167-L187 HydrophobicContact CD1-CG 4.23Å; I167-L187 HydrophobicContact CG1-CD2 3.84Å; L182-L187 HydrophobicContact CB-CD1 4.09Å; L182-L187 HydrophobicContact CD1-CD1 4.11Å; L182-L187 HydrophobicContact CD2-CD1 4.33Å; L182-L187 HydrophobicContact CG-CD1 4.42Å; L187-N210 HydrophobicContact CB-CB 4.15Å; L187-N210 WeakPolarHBondContact CB-OD1 3.49Å; L187-N210 WeakPolarHBondContact CG-OD1 3.32Å; L187-N210 PolarHBondContact N-OD1 3.3Å; L187-L211 WeakPolarHBondContact O-CA 3.19Å; L187-L211 WeakPolarHBondContact O-CB 3.27Å; L187-L211 PolarHBondContact O-N 3.12Å; L187-F212 HydrophobicContact CB-CE1 4.25Å; L187-F212 WeakPolarHBondContact O-CD1 3.25Å
188E97.1Very high96.9Very high107 Ų10744.9 Ų44.950%0.523%0.226SC..  trans-83153.7159.6-65.2178.6-153.100110S190 M191 L211E188-S190 PolarHBondContact O-N 3.44Å; E188-M191 HydrophobicContact CB-CG 4.25Å; E188-M191 PolarHBondContact O-N 3.3Å; E188-L211 HydrophobicContact CG-CB 4.39Å; E188-L211 HydrophobicContact CG-CD1 4.33Å
189L95.5Very high96.8Very high37 Ų3745 Ų4519%0.19423%0.232CC..G310 helixtrans-59.9-33.7-179.8-172.762.9000112.6M191 L192 F212 K216 L217 L220L189-M191 PolarHBondContact O-N 2.92Å; L189-L192 PolarHBondContact O-N 3.19Å; L189-F212 HydrophobicContact CB-CB 3.84Å; L189-F212 HydrophobicContact CB-CD1 4.18Å; L189-F212 HydrophobicContact CB-CD2 4.42Å; L189-F212 HydrophobicContact CB-CG 3.91Å; L189-F212 HydrophobicContact CD1-CD2 3.79Å; L189-F212 HydrophobicContact CD1-CE2 3.93Å; L189-F212 HydrophobicContact CD1-CG 4.11Å; L189-F212 HydrophobicContact CD1-CZ 4.35Å; L189-K216 HydrophobicContact CD2-CB 3.62Å; L189-L217 HydrophobicContact CD1-CD1 4.12Å; L189-L220 HydrophobicContact CD1-CD1 3.77Å; L189-L220 HydrophobicContact CD1-CG 4.4Å; L189-L220 HydrophobicContact CD2-CD2 4.28Å; L189-L220 HydrophobicContact CG-CD1 4.26Å; L189-L220 HydrophobicContact CG-CD2 4.44Å
190S94.8Very high96.7Very high92 Ų9244.3 Ų44.364%0.64323%0.228SC*.G310 helixtrans-62.7-27.2175.951.70000113.1E188E188-S190 PolarHBondContact O-N 3.44Å
191M96.2Very high96.5Very high64 Ų6450.1 Ų50.132%0.31526%0.255SS..G310 helixtrans-91.1-3-176.8-61.1-57.2-78.300113S165 Q166 E188 L189 P193S165-M191 WeakPolarHBondContact O-CB 3.37Å; S165-M191 WeakPolarHBondContact O-CG 3.44Å; Q166-M191 HydrophobicContact CB-CE 3.79Å; Q166-M191 HydrophobicContact CG-CE 3.45Å; Q166-M191 VanDerWaalsContact CG-CE 3.45Å; E188-M191 HydrophobicContact CB-CG 4.25Å; E188-M191 PolarHBondContact O-N 3.3Å; L189-M191 PolarHBondContact O-N 2.92Å; M191-P193 VanDerWaalsContact O-CD 3.32Å; M191-P193 WeakPolarHBondContact O-CD 3.33Å
192L95.4Very high96.4Very high5 Ų546.8 Ų46.83%0.02624%0.242CC..SBendtrans-85.5113.7170.7-171.773.9000109.3I167 L189 R194 I196 L205 V207 L217I167-L192 HydrophobicContact CD1-CD1 4.26Å; L189-L192 PolarHBondContact O-N 3.19Å; L192-R194 PolarHBondContact O-N 2.93Å; L192-I196 HydrophobicContact CD1-CD1 3.98Å; L192-L205 HydrophobicContact CD2-CD2 4.39Å; L192-V207 HydrophobicContact CD1-CG1 4.45Å; L192-L217 HydrophobicContact CD2-CD1 3.37Å
193P95.9Very high96.3Very high16 Ų1647.1 Ų47.110%0.10425%0.245CC..  trans-61.4124.3179.5-22.432.8000111.5I167 V169 M191 S195 I196I167-P193 HydrophobicContact CB-CG 4.3Å; I167-P193 HydrophobicContact CG2-CG 4.1Å; I167-P193 WeakPolarHBondContact O-CG 3.35Å; V169-P193 HydrophobicContact CB-CB 4.43Å; M191-P193 VanDerWaalsContact O-CD 3.32Å; M191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-S195 PolarHBondContact O-N 2.84Å; P193-I196 HydrophobicContact CB-CD1 4.4Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 HydrophobicContact CG-CD1 4.29Å; P193-I196 VanDerWaalsContact O-CB 3.31Å; P193-I196 WeakPolarHBondContact O-CB 3.3Å; P193-I196 WeakPolarHBondContact O-CG1 3.45Å; P193-I196 PolarHBondContact O-N 3.21Å
194R95.4Very high96.3Very high140 Ų14047.5 Ų47.553%0.52825%0.248SC..THydrogen-bonded Turntrans-60.9-26.1177.1-61.8-175.5-174.2-171.51.3112.7L192 I196 L197 S198 E221L192-R194 PolarHBondContact O-N 2.93Å; R194-I196 PolarHBondContact O-N 3.17Å; R194-I196 VanDerWaalsContact O-N 3.15Å; R194-L197 WeakPolarHBondContact O-CA 3.48Å; R194-L197 WeakPolarHBondContact O-CB 3.47Å; R194-L197 PolarHBondContact O-N 3.02Å; R194-S198 PolarHBondContact O-N 3.16Å; R194-S198 VanDerWaalsContact O-N 3.09Å; R194-S198 PolarHBondContact O-OG 3.39Å; R194-E221 IonicContact NH1-OE2 3.79Å
195S96.6Very high96.2Very high27 Ų2742.9 Ų42.919%0.18923%0.227CC..Hα-helixtrans-59.2-23.2174.358.10000113.2S172 P193 L197 S198 D199 S200S172-S195 WeakPolarHBondContact CB-OG 3.33Å; S172-S195 WeakPolarHBondContact OG-CB 3.42Å; S172-S195 PolarHBondContact OG-O 2.9Å; S172-S195 PolarHBondContact OG-OG 3.42Å; P193-S195 PolarHBondContact O-N 2.84Å; S195-L197 PolarHBondContact O-N 2.9Å; S195-S198 WeakPolarHBondContact CA-OG 3.46Å; S195-D199 CarbonylContact O-C 3.57Å; S195-D199 PolarHBondContact O-N 3.06Å; S195-S200 PolarHBondContact O-N 3.48Å; S195-S200 VanDerWaalsContact O-N 3.14Å
196I96.7Very high96.2Very high0 Ų043.1 Ų43.10%023%0.23CC..Hα-helixtrans-61.6-38.2170.8-67.1173.9000110I171 S172 L180 L192 P193 R194 S200 I202 L205 R229I171-I196 HydrophobicContact CG2-CD1 3.66Å; I171-I196 HydrophobicContact CG2-CG1 3.68Å; S172-I196 PolarHBondContact OG-N 3.16Å; S172-I196 VanDerWaalsContact OG-N 3.11Å; L180-I196 HydrophobicContact CD2-CD1 4.27Å; L192-I196 HydrophobicContact CD1-CD1 3.98Å; P193-I196 HydrophobicContact CB-CD1 4.4Å; P193-I196 HydrophobicContact CB-CG1 4.32Å; P193-I196 HydrophobicContact CG-CD1 4.29Å; P193-I196 VanDerWaalsContact O-CB 3.31Å; P193-I196 WeakPolarHBondContact O-CB 3.3Å; P193-I196 WeakPolarHBondContact O-CG1 3.45Å; P193-I196 PolarHBondContact O-N 3.21Å; R194-I196 PolarHBondContact O-N 3.17Å; R194-I196 VanDerWaalsContact O-N 3.15Å; I196-S200 PolarHBondContact O-OG 3.32Å; I196-I202 HydrophobicContact CG1-CD1 4.37Å; I196-I202 HydrophobicContact CG2-CB 4.47Å; I196-I202 HydrophobicContact CG2-CD1 3.83Å; I196-L205 HydrophobicContact CG2-CD1 4.35Å; I196-L205 HydrophobicContact CG2-CD2 3.96Å; I196-R229 PolarHBondContact O-NH2 2.99Å
197L96.6Very high96.1Very high1 Ų140.9 Ų40.91%0.00521%0.214CC..Hα-helixtrans-81.1-39.8-178.8-53.4179.8000111.8R194 S195 L205 L220 G222 Y226 R229R194-L197 WeakPolarHBondContact O-CA 3.48Å; R194-L197 WeakPolarHBondContact O-CB 3.47Å; R194-L197 PolarHBondContact O-N 3.02Å; S195-L197 PolarHBondContact O-N 2.9Å; L197-L205 HydrophobicContact CD2-CD2 4.05Å; L197-L220 HydrophobicContact CD1-CB 3.8Å; L197-L220 HydrophobicContact CD1-CD1 3.97Å; L197-G222 CarbonylContact C-O 3.41Å; L197-Y226 HydrophobicContact CD2-CD1 4.4Å; L197-Y226 HydrophobicContact CD2-CG 4.08Å; L197-Y226 PolarHBondContact O-N 3.13Å; L197-R229 VanDerWaalsContact O-CZ 3.28Å; L197-R229 PolarHBondContact O-NH1 3.35Å; L197-R229 PolarHBondContact O-NH2 3.23Å
198S94.5Very high96.1Very high30 Ų3046.3 Ų46.321%0.2124%0.24CC..Hα-helixtrans-91.1-47.8-174.847.10000115.3R194 S195R194-S198 PolarHBondContact O-N 3.16Å; R194-S198 VanDerWaalsContact O-N 3.09Å; R194-S198 PolarHBondContact O-OG 3.39Å; S195-S198 WeakPolarHBondContact CA-OG 3.46Å
199D94.4Very high96.1Very high114 Ų11443.8 Ų43.861%0.6124%0.243SC*.THydrogen-bonded Turntrans-1194.6-157.8-49.5-57.5000113.6S195S195-D199 CarbonylContact O-C 3.57Å; S195-D199 PolarHBondContact O-N 3.06Å
200S96Very high96.2Very high7 Ų742.8 Ų42.85%0.04924%0.238CC..SBendtrans-101.1167.5-177.887.50000113.9S195 I196 I202 R229S195-S200 PolarHBondContact O-N 3.48Å; S195-S200 VanDerWaalsContact O-N 3.14Å; I196-S200 PolarHBondContact O-OG 3.32Å; S200-I202 VanDerWaalsContact C-N 3.31Å; S200-I202 WeakPolarHBondContact OG-CB 3.22Å; S200-I202 PolarHBondContact OG-N 3.12Å; S200-I202 VanDerWaalsContact OG-N 3.08Å; S200-R229 PolarHBondContact O-NE 3.33Å
201Q94.9Very high96.3Very high121 Ų12143.9 Ų43.957%0.56524%0.236SC*.  trans-87.21.5170.3-58.8-66.64.200113.4L177 S203L177-Q201 CarbonylContact O-C 3.19Å; Q201-S203 PolarHBondContact O-N 3.26Å
202I97.1Very high96.3Very high1 Ų142.2 Ų42.21%0.00523%0.227CC..  trans-69.3122.2-176.6-62163.2000108.4L177 L180 I196 S200 L205 R229L177-I202 HydrophobicContact CD2-CD1 4.16Å; L177-I202 HydrophobicContact CD2-CG1 4.33Å; L177-I202 HydrophobicContact CG-CG1 4.29Å; L177-I202 PolarHBondContact O-N 3.46Å; L180-I202 HydrophobicContact CB-CD1 4.23Å; L180-I202 HydrophobicContact CB-CG2 4.15Å; L180-I202 HydrophobicContact CD2-CD1 3.87Å; I196-I202 HydrophobicContact CG1-CD1 4.37Å; I196-I202 HydrophobicContact CG2-CB 4.47Å; I196-I202 HydrophobicContact CG2-CD1 3.83Å; S200-I202 VanDerWaalsContact C-N 3.31Å; S200-I202 WeakPolarHBondContact OG-CB 3.22Å; S200-I202 PolarHBondContact OG-N 3.12Å; S200-I202 VanDerWaalsContact OG-N 3.08Å; I202-L205 HydrophobicContact CG2-CB 4.24Å; I202-R229 PolarHBondContact O-NE 3.21Å; I202-R229 PolarHBondContact O-NH2 3.01Å
203S96.3Very high96.3Very high7 Ų747.4 Ų47.45%0.04925%0.251CS..  trans-114.3-16.3-179.166.30000112.8K178 Q201 F230 T233K178-S203 PolarHBondContact O-N 3.28Å; K178-S203 PolarHBondContact O-OG 3.34Å; Q201-S203 PolarHBondContact O-N 3.26Å; S203-F230 VanDerWaalsContact O-CA 3.23Å; S203-F230 WeakPolarHBondContact O-CA 3.47Å; S203-F230 WeakPolarHBondContact O-CB 3.49Å; S203-F230 VanDerWaalsContact O-CD2 3.28Å; S203-F230 WeakPolarHBondContact O-CD2 3.47Å; S203-T233 VanDerWaalsContact CB-OG1 3.23Å; S203-T233 WeakPolarHBondContact CB-OG1 3.24Å; S203-T233 PolarHBondContact OG-OG1 3.09Å
204L96.9Very high96.1Very high54 Ų5449.8 Ų49.828%0.28326%0.262SS..EExtended strand (participates in β ladder)trans-129.6110.8170.6-167.5170.8000107.9K178 V179 L180 A206K178-L204 PolarHBondContact O-N 2.87Å; V179-L204 WeakPolarHBondContact CA-O 3.45Å; V179-L204 HydrophobicContact CB-CB 4.49Å; V179-L204 HydrophobicContact CG1-CB 4.27Å; V179-L204 HydrophobicContact CG1-CD1 4.28Å; V179-L204 HydrophobicContact CG1-CD2 4.13Å; V179-L204 HydrophobicContact CG1-CG 4.45Å; V179-L204 HydrophobicContact CG2-CB 4.16Å; L180-L204 PolarHBondContact N-O 3.24Å; L204-A206 HydrophobicContact CD2-CB 4.22Å
205L97.3Very high95.9Very high15 Ų1550 Ų508%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-114.3114174.2178.664.4000108.8L180 L182 L192 I196 L197 I202 V207 Y226L180-L205 HydrophobicContact CB-CD1 4.21Å; L180-L205 HydrophobicContact CD2-CD1 3.96Å; L180-L205 HydrophobicContact CG-CD1 4.11Å; L180-L205 WeakPolarHBondContact O-CA 3.36Å; L182-L205 HydrophobicContact CD1-CD1 4.33Å; L192-L205 HydrophobicContact CD2-CD2 4.39Å; I196-L205 HydrophobicContact CG2-CD1 4.35Å; I196-L205 HydrophobicContact CG2-CD2 3.96Å; L197-L205 HydrophobicContact CD2-CD2 4.05Å; I202-L205 HydrophobicContact CG2-CB 4.24Å; L205-V207 HydrophobicContact CD1-CG1 3.7Å; L205-V207 HydrophobicContact CD2-CG1 4.21Å; L205-V207 HydrophobicContact CG-CG1 3.74Å; L205-Y226 HydrophobicContact CB-CE2 3.76Å; L205-Y226 PolarHBondContact N-OH 3.07Å; L205-Y226 PolarHBondContact O-OH 3.19Å
206A97.3Very high95.8Very high13 Ų1353.3 Ų53.311%0.10728%0.278CS..EExtended strand (participates in β ladder)trans-106.7116.6174.500000109.1L180 R181 L182 E183 L204L180-A206 PolarHBondContact O-N 3.39Å; R181-A206 HydrophobicContact CB-CB 4.33Å; R181-A206 HydrophobicContact CG-CB 4.44Å; L182-A206 CarbonylContact C-O 3.41Å; L182-A206 WeakPolarHBondContact CA-O 3.42Å; L182-A206 PolarHBondContact N-O 3.11Å; E183-A206 HydrophobicContact CG-CB 3.69Å; L204-A206 HydrophobicContact CD2-CB 4.22Å
207V97.1Very high95.7Very high7 Ų753.7 Ų53.74%0.04228%0.28CS..  trans-13418.1-173.8-690000112.4L182 L192 L205 N210 F212 L217L182-V207 HydrophobicContact CB-CG1 4.17Å; L182-V207 HydrophobicContact CD1-CG1 4.31Å; L192-V207 HydrophobicContact CD1-CG1 4.45Å; L205-V207 HydrophobicContact CD1-CG1 3.7Å; L205-V207 HydrophobicContact CD2-CG1 4.21Å; L205-V207 HydrophobicContact CG-CG1 3.74Å; V207-N210 PolarHBondContact O-ND2 3.26Å; V207-F212 HydrophobicContact CB-CZ 3.97Å; V207-F212 HydrophobicContact CG2-CE2 4.19Å; V207-F212 HydrophobicContact CG2-CZ 3.93Å; V207-L217 HydrophobicContact CG2-CD2 3.87Å
208E97Very high95.5Very high114 Ų11461.1 Ų61.153%0.53331%0.308SS..THydrogen-bonded Turntrans-64.2150-179-50.4-161.6162.900111.4E183 E184 N210 I214E183-E208 CarbonylContact C-O 3.36Å; E183-E208 WeakPolarHBondContact CA-O 3.31Å; E183-E208 HydrophobicContact CG-CB 4.37Å; E184-E208 PolarHBondContact N-O 3.16Å; E208-N210 PolarHBondContact O-N 3.15Å; E208-I214 HydrophobicContact CB-CD1 4.01Å; E208-I214 HydrophobicContact CG-CD1 3.64Å
209G96.6Very high95.5Very high54 Ų5467.1 Ų67.156%0.55733%0.332SS*.THydrogen-bonded Turntrans71.324.5179.300000115.4E184E184-G209 WeakPolarHBondContact CA-O 3.47Å
210N97.8Very high95.5Very high17 Ų1763 Ų639%0.09131%0.31CS..SBendtrans-95.1-179.8168.4-80-77.8000111.9L182 N185 L187 V207 E208 F212L182-N210 PolarHBondContact O-ND2 3.45Å; N185-N210 WeakPolarHBondContact CA-OD1 3.43Å; N185-N210 WeakPolarHBondContact CB-OD1 3.36Å; N185-N210 PolarHBondContact O-OD1 3.15Å; L187-N210 HydrophobicContact CB-CB 4.15Å; L187-N210 WeakPolarHBondContact CB-OD1 3.49Å; L187-N210 WeakPolarHBondContact CG-OD1 3.32Å; L187-N210 PolarHBondContact N-OD1 3.3Å; V207-N210 PolarHBondContact O-ND2 3.26Å; E208-N210 PolarHBondContact O-N 3.15Å; N210-F212 HydrophobicContact CB-CD1 3.85Å; N210-F212 HydrophobicContact CB-CE1 3.52Å; N210-F212 HydrophobicContact CB-CZ 4.21Å; N210-F212 PolarHBondContact O-N 3.45Å
211L97Very high95.4Very high115 Ų11569.8 Ų69.860%0.60234%0.341SS*.SBendtrans-78.731.4-177.4-53.7177.5000113.3C186 L187 E188C186-L211 HydrophobicContact CB-CD1 4.33Å; C186-L211 WeakPolarHBondContact O-CD1 3.44Å; L187-L211 WeakPolarHBondContact O-CA 3.19Å; L187-L211 WeakPolarHBondContact O-CB 3.27Å; L187-L211 PolarHBondContact O-N 3.12Å; E188-L211 HydrophobicContact CG-CB 4.39Å; E188-L211 HydrophobicContact CG-CD1 4.33Å
212F96.2Very high95.4Very high28 Ų2864.8 Ų64.812%0.12332%0.322CS..SBendtrans-149.5154.3175.863.2-91.5000111.8L187 L189 V207 N210L187-F212 HydrophobicContact CB-CE1 4.25Å; L187-F212 WeakPolarHBondContact O-CD1 3.25Å; L189-F212 HydrophobicContact CB-CB 3.84Å; L189-F212 HydrophobicContact CB-CD1 4.18Å; L189-F212 HydrophobicContact CB-CD2 4.42Å; L189-F212 HydrophobicContact CB-CG 3.91Å; L189-F212 HydrophobicContact CD1-CD2 3.79Å; L189-F212 HydrophobicContact CD1-CE2 3.93Å; L189-F212 HydrophobicContact CD1-CG 4.11Å; L189-F212 HydrophobicContact CD1-CZ 4.35Å; V207-F212 HydrophobicContact CB-CZ 3.97Å; V207-F212 HydrophobicContact CG2-CE2 4.19Å; V207-F212 HydrophobicContact CG2-CZ 3.93Å; N210-F212 HydrophobicContact CB-CD1 3.85Å; N210-F212 HydrophobicContact CB-CE1 3.52Å; N210-F212 HydrophobicContact CB-CZ 4.21Å; N210-F212 PolarHBondContact O-N 3.45Å
213E93.8Very high95.3Very high115 Ų11566.5 Ų66.554%0.53733%0.329SS..  trans-75.6129.5173.2-68.7173.6-131.200110.9K215 K216E213-K215 PolarHBondContact O-N 2.97Å; E213-K216 HydrophobicContact CB-CG 4.36Å; E213-K216 WeakPolarHBondContact O-CB 3.34Å; E213-K216 PolarHBondContact O-N 3.14Å
214I91.7Very high95.3Very high65 Ų6572 Ų7233%0.33336%0.358SS..Hα-helixtrans-56-28179.8-62.9159.9000112.2E208 K216 L217E208-I214 HydrophobicContact CB-CD1 4.01Å; E208-I214 HydrophobicContact CG-CD1 3.64Å; I214-K216 VanDerWaalsContact C-N 3.3Å; I214-K216 PolarHBondContact O-N 3.12Å; I214-L217 WeakPolarHBondContact O-CB 3.15Å; I214-L217 PolarHBondContact O-N 2.76Å
215K93.1Very high95.2Very high146 Ų14674.8 Ų74.864%0.63537%0.367SS*.Hα-helixtrans-61-38.3177-65.6-179.7-176.7174.90112.3E213 L217 R218E213-K215 PolarHBondContact O-N 2.97Å; K215-L217 PolarHBondContact O-N 2.89Å; K215-R218 WeakPolarHBondContact O-CB 3.07Å; K215-R218 PolarHBondContact O-N 3.36Å
216K94.3Very high95.2Very high96 Ų9674.7 Ų74.742%0.41737%0.366SS..Hα-helixtrans-66.1-24.2178.6-63.2-178.7178.3175.80112.6L189 E213 I214 R218 E219L189-K216 HydrophobicContact CD2-CB 3.62Å; E213-K216 HydrophobicContact CB-CG 4.36Å; E213-K216 WeakPolarHBondContact O-CB 3.34Å; E213-K216 PolarHBondContact O-N 3.14Å; I214-K216 VanDerWaalsContact C-N 3.3Å; I214-K216 PolarHBondContact O-N 3.12Å; K216-R218 PolarHBondContact O-N 3.41Å; K216-E219 PolarHBondContact O-N 2.83Å
217L93.1Very high95Very high8 Ų876.9 Ų76.94%0.04238%0.375CS..Hα-helixtrans-61.9-33.5173.6-171.372.1000111.7L189 L192 V207 I214 K215 E219 L220 Y223L189-L217 HydrophobicContact CD1-CD1 4.12Å; L192-L217 HydrophobicContact CD2-CD1 3.37Å; V207-L217 HydrophobicContact CG2-CD2 3.87Å; I214-L217 WeakPolarHBondContact O-CB 3.15Å; I214-L217 PolarHBondContact O-N 2.76Å; K215-L217 PolarHBondContact O-N 2.89Å; L217-E219 PolarHBondContact O-N 3.22Å; L217-L220 HydrophobicContact CD1-CD1 4Å; L217-L220 WeakPolarHBondContact O-CB 3.33Å; L217-L220 PolarHBondContact O-N 3.27Å; L217-Y223 HydrophobicContact CD2-CE2 4.12Å; L217-Y223 HydrophobicContact CG-CD2 4.18Å; L217-Y223 HydrophobicContact CG-CE2 4.11Å; L217-Y223 WeakPolarHBondContact O-CD2 3.34Å
218R93.2Very high94.9Very high156 Ų15683.2 Ų83.259%0.58940%0.404SS*.THydrogen-bonded Turntrans-71.6-21.3-178.5-52.3-175.1-179179.2-0.6113.1K215 K216 L220 Y223K215-R218 WeakPolarHBondContact O-CB 3.07Å; K215-R218 PolarHBondContact O-N 3.36Å; K216-R218 PolarHBondContact O-N 3.41Å; R218-L220 VanDerWaalsContact C-N 3.31Å; R218-Y223 HydrophobicContact CB-CD1 4.15Å; R218-Y223 HydrophobicContact CB-CE1 3.93Å; R218-Y223 HydrophobicContact CG-CE1 3.83Å; R218-Y223 HydrophobicContact CG-CE2 4.3Å
219E94.2Very high94.8Very high156 Ų15680 Ų8073%0.72939%0.387SS*.THydrogen-bonded Turntrans-86.1-8.1179.1-61.6168.6-169.900111.6K216 L217K216-E219 PolarHBondContact O-N 2.83Å; L217-E219 PolarHBondContact O-N 3.22Å
220L94.7Very high94.7Very high29 Ų2980.7 Ų80.715%0.15238%0.375CS..SBendtrans-73.9139.9178.6-65.7-171000111.8L189 L197 L217 R218 G222 Y223L189-L220 HydrophobicContact CD1-CD1 3.77Å; L189-L220 HydrophobicContact CD1-CG 4.4Å; L189-L220 HydrophobicContact CD2-CD2 4.28Å; L189-L220 HydrophobicContact CG-CD1 4.26Å; L189-L220 HydrophobicContact CG-CD2 4.44Å; L197-L220 HydrophobicContact CD1-CB 3.8Å; L197-L220 HydrophobicContact CD1-CD1 3.97Å; L217-L220 HydrophobicContact CD1-CD1 4Å; L217-L220 WeakPolarHBondContact O-CB 3.33Å; L217-L220 PolarHBondContact O-N 3.27Å; R218-L220 VanDerWaalsContact C-N 3.31Å; L220-G222 PolarHBondContact O-N 2.65Å; L220-Y223 VanDerWaalsContact O-CB 3.22Å; L220-Y223 WeakPolarHBondContact O-CB 3.31Å; L220-Y223 PolarHBondContact O-N 3.15Å; L220-Y223 VanDerWaalsContact O-N 3.12Å
221E94.3Very high94.3Very high149 Ų14982.8 Ų82.870%0.69639%0.388SS*.THydrogen-bonded Turntrans-55.7134.7169.8-171-178.1-179.900111.2R194 Y223R194-E221 IonicContact NH1-OE2 3.79Å; E221-Y223 VanDerWaalsContact C-N 3.33Å
222G94.1Very high93.9Very high16 Ų1679.8 Ų79.817%0.16538%0.38CS..THydrogen-bonded Turntrans87-6.7-177.200000114.6L197 L220 D224 K225 Y226L197-G222 CarbonylContact C-O 3.41Å; L220-G222 PolarHBondContact O-N 2.65Å; G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.11Å; G222-K225 WeakPolarHBondContact O-CB 3.5Å; G222-K225 PolarHBondContact O-N 3.2Å; G222-K225 VanDerWaalsContact O-N 3.15Å; G222-Y226 PolarHBondContact O-N 3.13Å; G222-Y226 VanDerWaalsContact O-N 3.15Å
223Y95.5Very high93.4Very high36 Ų3680.5 Ų80.514%0.14139%0.387CS..Hα-helixtrans-57.9-37.7177-174.1-99.6000112.7L217 R218 L220 E221 K225 Y226 M227L217-Y223 HydrophobicContact CD2-CE2 4.12Å; L217-Y223 HydrophobicContact CG-CD2 4.18Å; L217-Y223 HydrophobicContact CG-CE2 4.11Å; L217-Y223 WeakPolarHBondContact O-CD2 3.34Å; R218-Y223 HydrophobicContact CB-CD1 4.15Å; R218-Y223 HydrophobicContact CB-CE1 3.93Å; R218-Y223 HydrophobicContact CG-CE1 3.83Å; R218-Y223 HydrophobicContact CG-CE2 4.3Å; L220-Y223 VanDerWaalsContact O-CB 3.22Å; L220-Y223 WeakPolarHBondContact O-CB 3.31Å; L220-Y223 PolarHBondContact O-N 3.15Å; L220-Y223 VanDerWaalsContact O-N 3.12Å; E221-Y223 VanDerWaalsContact C-N 3.33Å; Y223-K225 PolarHBondContact O-N 3.22Å; Y223-Y226 HydrophobicContact CD2-CD1 4.17Å; Y223-Y226 AromaticContact CE2-CD1 3.98Å; Y223-Y226 HydrophobicContact CE2-CD1 3.98Å; Y223-Y226 HydrophobicContact CE2-CE1 4.27Å; Y223-Y226 WeakPolarHBondContact O-CB 3.43Å; Y223-Y226 PolarHBondContact O-N 3.24Å; Y223-Y226 VanDerWaalsContact O-N 3.16Å; Y223-M227 HydrophobicContact CD1-CG 3.74Å; Y223-M227 HydrophobicContact CE1-CG 3.28Å; Y223-M227 HydrophobicContact CE1-SD 3.92Å; Y223-M227 HydrophobicContact CE2-CG 4.45Å; Y223-M227 HydrophobicContact CG-CG 4.5Å; Y223-M227 PolarHBondContact O-N 3.17Å; Y223-M227 PolarHBondContact OH-SD 3.01Å
224D95.3Very high92.6Very high124 Ų12481.8 Ų81.866%0.66339%0.391SS*.Hα-helixtrans-60.4-44.2176.6-62-36.1000112G222 Y226 M227 E228G222-D224 VanDerWaalsContact C-N 3.26Å; G222-D224 PolarHBondContact O-N 3.11Å; D224-Y226 VanDerWaalsContact C-N 3.3Å; D224-Y226 PolarHBondContact O-N 3.34Å; D224-M227 PolarHBondContact O-N 3.39Å; D224-M227 VanDerWaalsContact O-N 3.11Å; D224-E228 WeakPolarHBondContact O-CG 3.42Å; D224-E228 PolarHBondContact O-N 2.9Å
225K95.8Very high91.3Very high111 Ų11186.2 Ų86.248%0.48341%0.407SS..Hα-helixtrans-60.3-41.5175-66.4-178.4176179.80111.3G222 Y223 R229G222-K225 WeakPolarHBondContact O-CB 3.5Å; G222-K225 PolarHBondContact O-N 3.2Å; G222-K225 VanDerWaalsContact O-N 3.15Å; Y223-K225 PolarHBondContact O-N 3.22Å; K225-R229 WeakPolarHBondContact O-CG 3.36Å; K225-R229 PolarHBondContact O-N 3.16Å; K225-R229 PolarHBondContact O-NH1 3.18Å
226Y96.3Very high89.8Confident13 Ų1387.5 Ų87.55%0.05141%0.413CS..Hα-helixtrans-62.6-44.3173.6164.9-103.9000111.9L197 L205 G222 Y223 D224 E228 R229 F230L197-Y226 HydrophobicContact CD2-CD1 4.4Å; L197-Y226 HydrophobicContact CD2-CG 4.08Å; L197-Y226 PolarHBondContact O-N 3.13Å; L205-Y226 HydrophobicContact CB-CE2 3.76Å; L205-Y226 PolarHBondContact N-OH 3.07Å; L205-Y226 PolarHBondContact O-OH 3.19Å; G222-Y226 PolarHBondContact O-N 3.13Å; G222-Y226 VanDerWaalsContact O-N 3.15Å; Y223-Y226 HydrophobicContact CD2-CD1 4.17Å; Y223-Y226 AromaticContact CE2-CD1 3.98Å; Y223-Y226 HydrophobicContact CE2-CD1 3.98Å; Y223-Y226 HydrophobicContact CE2-CE1 4.27Å; Y223-Y226 WeakPolarHBondContact O-CB 3.43Å; Y223-Y226 PolarHBondContact O-N 3.24Å; Y223-Y226 VanDerWaalsContact O-N 3.16Å; D224-Y226 VanDerWaalsContact C-N 3.3Å; D224-Y226 PolarHBondContact O-N 3.34Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.07Å; Y226-R229 WeakPolarHBondContact O-CB 3.44Å; Y226-R229 PolarHBondContact O-N 3.19Å; Y226-R229 VanDerWaalsContact O-N 3.12Å; Y226-F230 PolarHBondContact O-N 3.02Å
227M95.1Very high87.5Confident59 Ų5991.5 Ų91.529%0.29143%0.431SS..Hα-helixtrans-64.4-35.4179.8-78.9-56.7-55.400113.2Y223 D224 F230 T231Y223-M227 HydrophobicContact CD1-CG 3.74Å; Y223-M227 HydrophobicContact CE1-CG 3.28Å; Y223-M227 HydrophobicContact CE1-SD 3.92Å; Y223-M227 HydrophobicContact CE2-CG 4.45Å; Y223-M227 HydrophobicContact CG-CG 4.5Å; Y223-M227 PolarHBondContact O-N 3.17Å; Y223-M227 PolarHBondContact OH-SD 3.01Å; D224-M227 PolarHBondContact O-N 3.39Å; D224-M227 VanDerWaalsContact O-N 3.11Å; M227-F230 HydrophobicContact CE-CD1 4.07Å; M227-F230 PolarHBondContact O-N 3.11Å; M227-F230 HydrophobicContact SD-CD1 4.47Å; M227-T231 WeakPolarHBondContact O-CB 3.45Å; M227-T231 PolarHBondContact O-N 3.07Å; M227-T231 PolarHBondContact O-OG1 2.99Å
228E94.5Very high85.2Confident140 Ų14097.8 Ų97.865%0.65448%0.484SS*.Hα-helixtrans-59.5-48.8170-72.4177.6177.800111D224 Y226 T231 A232D224-E228 WeakPolarHBondContact O-CG 3.42Å; D224-E228 PolarHBondContact O-N 2.9Å; Y226-E228 VanDerWaalsContact C-N 3.33Å; Y226-E228 PolarHBondContact O-N 3.07Å; E228-T231 PolarHBondContact O-N 3.05Å; E228-A232 WeakPolarHBondContact O-CB 3.19Å; E228-A232 PolarHBondContact O-N 3.43Å
229R95.3Very high84.8Confident48 Ų4894.9 Ų94.918%0.18148%0.479CS..Hα-helixtrans-60.4-47.5176.4-66.9-169-56.1-85.66.1111.9I196 L197 S200 I202 K225 Y226 T231 A232 T233I196-R229 PolarHBondContact O-NH2 2.99Å; L197-R229 VanDerWaalsContact O-CZ 3.28Å; L197-R229 PolarHBondContact O-NH1 3.35Å; L197-R229 PolarHBondContact O-NH2 3.23Å; S200-R229 PolarHBondContact O-NE 3.33Å; I202-R229 PolarHBondContact O-NE 3.21Å; I202-R229 PolarHBondContact O-NH2 3.01Å; K225-R229 WeakPolarHBondContact O-CG 3.36Å; K225-R229 PolarHBondContact O-N 3.16Å; K225-R229 PolarHBondContact O-NH1 3.18Å; Y226-R229 WeakPolarHBondContact O-CB 3.44Å; Y226-R229 PolarHBondContact O-N 3.19Å; Y226-R229 VanDerWaalsContact O-N 3.12Å; R229-T231 PolarHBondContact O-N 3.03Å; R229-A232 PolarHBondContact O-N 2.87Å; R229-T233 PolarHBondContact O-N 3.23Å; R229-T233 PolarHBondContact O-OG1 3.38Å
230F93Very high84.3Confident68 Ų6891.7 Ų91.730%0.29847%0.466SS..Hα-helixtrans-58.6-46.8178.5175.1-98.3000111.9S203 Y226 M227 T233 K234S203-F230 VanDerWaalsContact O-CA 3.23Å; S203-F230 WeakPolarHBondContact O-CA 3.47Å; S203-F230 WeakPolarHBondContact O-CB 3.49Å; S203-F230 VanDerWaalsContact O-CD2 3.28Å; S203-F230 WeakPolarHBondContact O-CD2 3.47Å; Y226-F230 PolarHBondContact O-N 3.02Å; M227-F230 HydrophobicContact CE-CD1 4.07Å; M227-F230 PolarHBondContact O-N 3.11Å; M227-F230 HydrophobicContact SD-CD1 4.47Å; F230-T233 PolarHBondContact O-N 3.19Å; F230-K234 HydrophobicContact CE1-CD 4.45Å; F230-K234 PolarHBondContact O-N 3.17Å
231T91Very high83.7Confident60 Ų6095.2 Ų95.237%0.36848%0.483SS..Hα-helixtrans-67.7-40.8-178.9-54.70000111.7M227 E228 R229 T233 K234 K235M227-T231 WeakPolarHBondContact O-CB 3.45Å; M227-T231 PolarHBondContact O-N 3.07Å; M227-T231 PolarHBondContact O-OG1 2.99Å; E228-T231 PolarHBondContact O-N 3.05Å; R229-T231 PolarHBondContact O-N 3.03Å; T231-T233 VanDerWaalsContact C-N 3.32Å; T231-T233 PolarHBondContact O-N 3.47Å; T231-K234 PolarHBondContact O-N 3.11Å; T231-K235 WeakPolarHBondContact O-CG 3.43Å; T231-K235 PolarHBondContact O-N 2.93Å; T231-K235 VanDerWaalsContact O-N 3.11Å
232A88.3Confident83.1Confident52 Ų5292 Ų9243%0.4347%0.471SS..Hα-helixtrans-62.4-39.1176.100000112.2E228 R229E228-A232 WeakPolarHBondContact O-CB 3.19Å; E228-A232 PolarHBondContact O-N 3.43Å; R229-A232 PolarHBondContact O-N 2.87Å
233T84.3Confident82.4Confident44 Ų4496.8 Ų96.827%0.2749%0.49SS..Hα-helixtrans-68-46.1174.9-61.70000111.3S203 R229 F230 T231 K235 K236 F237S203-T233 VanDerWaalsContact CB-OG1 3.23Å; S203-T233 WeakPolarHBondContact CB-OG1 3.24Å; S203-T233 PolarHBondContact OG-OG1 3.09Å; R229-T233 PolarHBondContact O-N 3.23Å; R229-T233 PolarHBondContact O-OG1 3.38Å; F230-T233 PolarHBondContact O-N 3.19Å; T231-T233 VanDerWaalsContact C-N 3.32Å; T231-T233 PolarHBondContact O-N 3.47Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 3.07Å; T233-K236 WeakPolarHBondContact O-CB 3.39Å; T233-K236 PolarHBondContact O-N 2.51Å; T233-F237 HydrophobicContact CG2-CD2 4.03Å; T233-F237 HydrophobicContact CG2-CE2 3.74Å; T233-F237 VanDerWaalsContact O-CD2 3.24Å; T233-F237 WeakPolarHBondContact O-CD2 3.18Å
234K77.4Confident81.5Confident142 Ų142100.8 Ų100.862%0.61751%0.513SS*.Hα-helixtrans-59.1-38.4-179.7-167.1177.8-179.6179.90112.8F230 T231 K236 F237 A238F230-K234 HydrophobicContact CE1-CD 4.45Å; F230-K234 PolarHBondContact O-N 3.17Å; T231-K234 PolarHBondContact O-N 3.11Å; K234-K236 VanDerWaalsContact C-N 3.28Å; K234-K236 PolarHBondContact O-N 3.43Å; K234-F237 PolarHBondContact O-N 2.76Å; K234-A238 PolarHBondContact O-N 2.85Å
235K64.2Low80.5Confident157 Ų15799.1 Ų99.168%0.68350%0.502SS*.Hα-helixtrans-67.2-21.2175.9-73.4179.8179-179.30114.4T231 T233 F237T231-K235 WeakPolarHBondContact O-CG 3.43Å; T231-K235 PolarHBondContact O-N 2.93Å; T231-K235 VanDerWaalsContact O-N 3.11Å; T233-K235 VanDerWaalsContact C-N 3.29Å; T233-K235 PolarHBondContact O-N 3.07Å; K235-F237 VanDerWaalsContact C-N 3.32Å
236K61.6Low79.4Confident174 Ų17498.2 Ų98.276%0.75750%0.504SS*.Hα-helixtrans-81-13.7176.3-72.6179.8179179.70113.2T233 K234T233-K236 WeakPolarHBondContact O-CB 3.39Å; T233-K236 PolarHBondContact O-N 2.51Å; K234-K236 VanDerWaalsContact C-N 3.28Å; K234-K236 PolarHBondContact O-N 3.43Å
237F47.7Very low78Confident179 Ų179105.3 Ų105.379%0.78554%0.542SS*.  trans-1189-177.2-65.3-73.1000113.3T233 K234 K235T233-F237 HydrophobicContact CG2-CD2 4.03Å; T233-F237 HydrophobicContact CG2-CE2 3.74Å; T233-F237 VanDerWaalsContact O-CD2 3.24Å; T233-F237 WeakPolarHBondContact O-CD2 3.18Å; K234-F237 PolarHBondContact O-N 2.76Å; K235-F237 VanDerWaalsContact C-N 3.32Å
238A43.3Very low76.4Confident141 Ų141109.5 Ų109.5100%1.16556%0.564SS**  trans-113.40173.400000109.2K234K234-A238 PolarHBondContact O-N 2.85Å

Retrieved 238 of 238 residues in 148 ms (Link to these results)

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