A0A060WMU6_ONCMY Loading...

Histone-binding protein RBBP4-like N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WMU6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 424 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
1M61.5Low73.3Confident193 Ų193109.2 Ų109.295%0.95160%0.601SS**  0-50.70-73.4-171.7-157.700108.7D3 K4 E5M1-D3 PolarHBondContact O-N 3.5Å; M1-K4 WeakPolarHBondContact O-CB 3.07Å; M1-K4 PolarHBondContact O-N 3.25Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-E5 PolarHBondContact O-N 3.22Å
2A64.6Low74.6Confident69 Ų69104.9 Ų104.957%0.5758%0.581SS**Hα-helixtrans-50.4-53.417000000113.7K4 E5 A6A2-K4 PolarHBondContact O-N 2.97Å; A2-K4 VanDerWaalsContact O-N 3.1Å; A2-E5 PolarHBondContact O-N 3.22Å; A2-E5 VanDerWaalsContact O-N 3.12Å; A2-A6 PolarHBondContact O-N 3.43Å
3D65.4Low75.7Confident139 Ų139103.7 Ų103.774%0.74357%0.568SS**Hα-helixtrans-63.8-21.8179.4-44.1-27.4000114.1M1 A7M1-D3 PolarHBondContact O-N 3.5Å; D3-A7 VanDerWaalsContact O-CB 3.26Å; D3-A7 WeakPolarHBondContact O-CB 3.06Å; D3-A7 PolarHBondContact O-N 3.36Å
4K66Low76.7Confident174 Ų174104.9 Ų104.976%0.75757%0.567SS**Hα-helixtrans-83.8-34178.4-172.9-173171.7-168.50111.4M1 A2 F8M1-K4 WeakPolarHBondContact O-CB 3.07Å; M1-K4 PolarHBondContact O-N 3.25Å; M1-K4 VanDerWaalsContact O-N 3.08Å; A2-K4 PolarHBondContact O-N 2.97Å; A2-K4 VanDerWaalsContact O-N 3.1Å; K4-F8 WeakPolarHBondContact O-CB 3.43Å; K4-F8 PolarHBondContact O-N 3.08Å
5E69.7Low77.6Confident131 Ų131109.2 Ų109.261%0.61257%0.572SS**Hα-helixtrans-72.3-45.4174.1-74.5171.3-175.800109.9M1 A2 A7 F8 D9M1-E5 PolarHBondContact O-N 3.22Å; A2-E5 PolarHBondContact O-N 3.22Å; A2-E5 VanDerWaalsContact O-N 3.12Å; E5-A7 PolarHBondContact O-N 2.94Å; E5-F8 WeakPolarHBondContact O-CB 3.23Å; E5-F8 PolarHBondContact O-N 3.42Å; E5-D9 PolarHBondContact O-N 2.98Å
6A73.9Confident78.6Confident49 Ų49106.2 Ų106.241%0.40556%0.56SS.*Hα-helixtrans-55.2-52.2173.200000112.1A2 F8 D9 D10A2-A6 PolarHBondContact O-N 3.43Å; A6-F8 PolarHBondContact O-N 3.05Å; A6-F8 VanDerWaalsContact O-N 3.14Å; A6-D9 PolarHBondContact O-N 3.41Å; A6-D9 VanDerWaalsContact O-N 3.15Å; A6-D10 PolarHBondContact O-N 2.95Å
7A74.3Confident79.4Confident58 Ų58101.4 Ų101.448%0.47953%0.534SS..Hα-helixtrans-64.3-21.5178.300000114.3D3 E5 A11D3-A7 VanDerWaalsContact O-CB 3.26Å; D3-A7 WeakPolarHBondContact O-CB 3.06Å; D3-A7 PolarHBondContact O-N 3.36Å; E5-A7 PolarHBondContact O-N 2.94Å; A7-A11 PolarHBondContact O-N 3.31Å
8F80.1Confident79.9Confident137 Ų13799.6 Ų99.660%0.60153%0.525SS*.Hα-helixtrans-78.8-43.4174.6177.5-93.7000111.2K4 E5 A6 A11 V12K4-F8 WeakPolarHBondContact O-CB 3.43Å; K4-F8 PolarHBondContact O-N 3.08Å; E5-F8 WeakPolarHBondContact O-CB 3.23Å; E5-F8 PolarHBondContact O-N 3.42Å; A6-F8 PolarHBondContact O-N 3.05Å; A6-F8 VanDerWaalsContact O-N 3.14Å; F8-A11 PolarHBondContact O-N 2.94Å; F8-V12 HydrophobicContact CD1-CG2 4.41Å; F8-V12 HydrophobicContact CE1-CG2 3.95Å; F8-V12 HydrophobicContact CZ-CG2 4.04Å; F8-V12 WeakPolarHBondContact O-CG2 3.12Å; F8-V12 PolarHBondContact O-N 3.44Å; F8-V12 VanDerWaalsContact O-N 3.15Å
9D82.3Confident80.7Confident100 Ų10099.6 Ų99.654%0.53552%0.522SS..Hα-helixtrans-63.4-44.2177.2-68.2-20000110.4E5 A6 A11 V12 E13E5-D9 PolarHBondContact O-N 2.98Å; A6-D9 PolarHBondContact O-N 3.41Å; A6-D9 VanDerWaalsContact O-N 3.15Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.8Å; D9-V12 PolarHBondContact O-N 2.73Å; D9-V12 VanDerWaalsContact O-N 3.14Å; D9-E13 WeakPolarHBondContact O-CB 3.37Å; D9-E13 PolarHBondContact O-N 3.36Å
10D83.1Confident81.3Confident98 Ų9898 Ų9852%0.52451%0.511SS..Hα-helixtrans-55.8-44.3175.2-64.5-19.5000111.9A6 V12 E13 E14A6-D10 PolarHBondContact O-N 2.95Å; D10-V12 PolarHBondContact O-N 3.24Å; D10-E13 PolarHBondContact O-N 3.49Å; D10-E14 VanDerWaalsContact O-CB 3.29Å; D10-E14 WeakPolarHBondContact O-CB 3.31Å; D10-E14 PolarHBondContact O-N 2.95Å
11A85.4Confident81.7Confident53 Ų5395.9 Ų95.944%0.43850%0.497SS..Hα-helixtrans-70.2-31.6-178.800000113.2A7 F8 D9 R15A7-A11 PolarHBondContact O-N 3.31Å; F8-A11 PolarHBondContact O-N 2.94Å; D9-A11 VanDerWaalsContact C-N 3.32Å; D9-A11 PolarHBondContact O-N 2.8Å; A11-R15 PolarHBondContact O-N 2.9Å
12V89Confident83Confident58 Ų5891.8 Ų91.835%0.35247%0.474SS..Hα-helixtrans-70.7-44.7174.2172.70000109.7F8 D9 D10 R15 V16F8-V12 HydrophobicContact CD1-CG2 4.41Å; F8-V12 HydrophobicContact CE1-CG2 3.95Å; F8-V12 HydrophobicContact CZ-CG2 4.04Å; F8-V12 WeakPolarHBondContact O-CG2 3.12Å; F8-V12 PolarHBondContact O-N 3.44Å; F8-V12 VanDerWaalsContact O-N 3.15Å; D9-V12 PolarHBondContact O-N 2.73Å; D9-V12 VanDerWaalsContact O-N 3.14Å; D10-V12 PolarHBondContact O-N 3.24Å; V12-R15 PolarHBondContact O-N 3.21Å; V12-V16 PolarHBondContact O-N 2.93Å
13E88.7Confident84.3Confident89 Ų8993 Ų9342%0.41647%0.47SS..Hα-helixtrans-62.4-46.8177.7-171.3172.7-172.700111.5D9 D10 R15 V16 I17 R340D9-E13 WeakPolarHBondContact O-CB 3.37Å; D9-E13 PolarHBondContact O-N 3.36Å; D10-E13 PolarHBondContact O-N 3.49Å; E13-R15 PolarHBondContact O-N 2.72Å; E13-V16 WeakPolarHBondContact O-CA 3.22Å; E13-V16 WeakPolarHBondContact O-CB 3.27Å; E13-V16 PolarHBondContact O-N 2.57Å; E13-I17 HydrophobicContact CG-CD1 3.86Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 3.03Å; E13-R340 IonicContact OE1-CZ 3.35Å; E13-R340 IonicContact OE1-NH1 3.99Å; E13-R340 PolarHBondContact OE1-NH1 2.95Å; E13-R340 IonicContact OE1-NH2 3.12Å
14E89.7Confident85.6Confident120 Ų12087.2 Ų87.256%0.56144%0.438SS*.Hα-helixtrans-55.7-37.8176.7-170.7-171.3171.300111.8D10 N18D10-E14 VanDerWaalsContact O-CB 3.29Å; D10-E14 WeakPolarHBondContact O-CB 3.31Å; D10-E14 PolarHBondContact O-N 2.95Å; E14-N18 WeakPolarHBondContact O-CB 3.39Å; E14-N18 PolarHBondContact O-N 2.96Å; E14-N18 PolarHBondContact O-ND2 3.04Å
15R90.4Very high86.5Confident170 Ų17081 Ų8164%0.64241%0.411SS*.Hα-helixtrans-67.7-40.3175.8-170-175.466.7180-0.7111.9A11 V12 E13 E19A11-R15 PolarHBondContact O-N 2.9Å; V12-R15 PolarHBondContact O-N 3.21Å; E13-R15 PolarHBondContact O-N 2.72Å; R15-E19 WeakPolarHBondContact O-CG 3.2Å; R15-E19 PolarHBondContact O-N 3.18Å
16V93.2Very high87.4Confident61 Ų6181.7 Ų81.737%0.3741%0.412SS..Hα-helixtrans-64.6-48176.71740000109.8V12 E13 N18 E19 E20V12-V16 PolarHBondContact O-N 2.93Å; E13-V16 WeakPolarHBondContact O-CA 3.22Å; E13-V16 WeakPolarHBondContact O-CB 3.27Å; E13-V16 PolarHBondContact O-N 2.57Å; V16-N18 VanDerWaalsContact C-N 3.32Å; V16-N18 PolarHBondContact O-N 2.81Å; V16-E19 PolarHBondContact O-N 2.91Å; V16-E19 VanDerWaalsContact O-N 3.13Å; V16-E20 HydrophobicContact CG1-CG 4.21Å; V16-E20 WeakPolarHBondContact O-CG 3.29Å; V16-E20 PolarHBondContact O-N 3.24Å
17I92.6Very high88.1Confident25 Ų2582.8 Ų82.813%0.12841%0.411CS..Hα-helixtrans-53.4-50.1177.3-68.6171000110.8E13 E19 E20 Y21 T374E13-I17 HydrophobicContact CG-CD1 3.86Å; E13-I17 HydrophobicContact CG-CG1 4.27Å; E13-I17 WeakPolarHBondContact O-CG1 3.49Å; E13-I17 PolarHBondContact O-N 3.03Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 2.88Å; I17-E20 PolarHBondContact O-N 2.78Å; I17-Y21 WeakPolarHBondContact O-CB 3.22Å; I17-Y21 PolarHBondContact O-N 3.28Å; I17-T374 HydrophobicContact CG2-CG2 3.65Å
18N89.2Confident88.7Confident69 Ų6980.4 Ų80.437%0.36939%0.39SS..Hα-helixtrans-63.9-34.4-179-80.9-53.7000113.5E14 V16 K22E14-N18 WeakPolarHBondContact O-CB 3.39Å; E14-N18 PolarHBondContact O-N 2.96Å; E14-N18 PolarHBondContact O-ND2 3.04Å; V16-N18 VanDerWaalsContact C-N 3.32Å; V16-N18 PolarHBondContact O-N 2.81Å; N18-K22 VanDerWaalsContact O-CG 3.26Å; N18-K22 WeakPolarHBondContact O-CG 3.2Å; N18-K22 PolarHBondContact O-N 3.31Å
19E94Very high88.8Confident99 Ų9975.4 Ų75.446%0.46337%0.372SS..Hα-helixtrans-76.1-41176.4-70.5-58.7124.700111.8R15 V16 I17 Y21 K22 I23R15-E19 WeakPolarHBondContact O-CG 3.2Å; R15-E19 PolarHBondContact O-N 3.18Å; V16-E19 PolarHBondContact O-N 2.91Å; V16-E19 VanDerWaalsContact O-N 3.13Å; I17-E19 VanDerWaalsContact C-N 3.32Å; I17-E19 PolarHBondContact O-N 2.88Å; E19-Y21 PolarHBondContact O-N 2.9Å; E19-K22 PolarHBondContact O-N 3.26Å; E19-K22 IonicContact OE1-NZ 2.79Å; E19-K22 PolarHBondContact OE1-NZ 2.9Å; E19-I23 WeakPolarHBondContact O-CG1 3.35Å; E19-I23 PolarHBondContact O-N 3.03Å
20E93.4Very high89.1Confident67 Ų6777.9 Ų77.931%0.31338%0.378SS..Hα-helixtrans-59.5-45.4173.8-73.4-174.817500111.5V16 I17 K22 I23 W24 R341V16-E20 HydrophobicContact CG1-CG 4.21Å; V16-E20 WeakPolarHBondContact O-CG 3.29Å; V16-E20 PolarHBondContact O-N 3.24Å; I17-E20 PolarHBondContact O-N 2.78Å; E20-K22 PolarHBondContact O-N 3.12Å; E20-I23 PolarHBondContact O-N 3.33Å; E20-I23 VanDerWaalsContact O-N 3.16Å; E20-W24 WeakPolarHBondContact O-CB 3.47Å; E20-W24 PolarHBondContact O-N 2.85Å; E20-R341 IonicContact OE2-CZ 3.83Å; E20-R341 IonicContact OE2-NH2 3.54Å; E20-R341 PolarHBondContact OE2-NH2 2.94Å
21Y89.9Confident89.4Confident54 Ų5475.8 Ų75.821%0.21237%0.366CS..Hα-helixtrans-61.7-41.3178-178.8-103.2000112.2I17 E19 I23 W24 K25 G372 T374I17-Y21 WeakPolarHBondContact O-CB 3.22Å; I17-Y21 PolarHBondContact O-N 3.28Å; E19-Y21 PolarHBondContact O-N 2.9Å; Y21-I23 VanDerWaalsContact C-N 3.32Å; Y21-I23 PolarHBondContact O-N 3.08Å; Y21-W24 AromaticContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CZ3 4.09Å; Y21-W24 AromaticContact CE2-CE3 3.62Å; Y21-W24 HydrophobicContact CE2-CE3 3.62Å; Y21-W24 HydrophobicContact CE2-CH2 4.45Å; Y21-W24 AromaticContact CE2-CZ3 3.42Å; Y21-W24 HydrophobicContact CE2-CZ3 3.42Å; Y21-W24 VanDerWaalsContact CE2-CZ3 3.42Å; Y21-W24 AromaticContact CZ-CZ3 3.96Å; Y21-W24 PolarHBondContact O-N 3.27Å; Y21-K25 HydrophobicContact CE1-CD 4.2Å; Y21-K25 WeakPolarHBondContact O-CB 3.38Å; Y21-K25 PolarHBondContact O-N 3.01Å; Y21-G372 WeakPolarHBondContact CD2-O 3.4Å; Y21-G372 WeakPolarHBondContact CE2-O 3.48Å; Y21-T374 HydrophobicContact CD2-CG2 3.78Å; Y21-T374 HydrophobicContact CG-CG2 3.83Å
22K88.1Confident89.6Confident107 Ų10773.5 Ų73.547%0.46535%0.346SS..Hα-helixtrans-64.5-35.7175.2-73.3170.5-162.9165.70112.7N18 E19 E20 K26N18-K22 VanDerWaalsContact O-CG 3.26Å; N18-K22 WeakPolarHBondContact O-CG 3.2Å; N18-K22 PolarHBondContact O-N 3.31Å; E19-K22 PolarHBondContact O-N 3.26Å; E19-K22 IonicContact OE1-NZ 2.79Å; E19-K22 PolarHBondContact OE1-NZ 2.9Å; E20-K22 PolarHBondContact O-N 3.12Å; K22-K26 WeakPolarHBondContact O-CG 2.95Å; K22-K26 PolarHBondContact O-N 3.06Å
23I92.6Very high89.4Confident95 Ų9572.8 Ų72.849%0.48734%0.341SS..Hα-helixtrans-69.6-49.1176.2-68.9162000109.4E19 E20 Y21 K25 K26 N27E19-I23 WeakPolarHBondContact O-CG1 3.35Å; E19-I23 PolarHBondContact O-N 3.03Å; E20-I23 PolarHBondContact O-N 3.33Å; E20-I23 VanDerWaalsContact O-N 3.16Å; Y21-I23 VanDerWaalsContact C-N 3.32Å; Y21-I23 PolarHBondContact O-N 3.08Å; I23-K25 VanDerWaalsContact C-N 3.32Å; I23-K25 PolarHBondContact O-N 3.48Å; I23-K26 WeakPolarHBondContact O-CB 3.3Å; I23-K26 PolarHBondContact O-N 2.94Å; I23-K26 VanDerWaalsContact O-N 3.11Å; I23-N27 PolarHBondContact O-N 2.97Å
24W92.8Very high89.3Confident17 Ų1769.1 Ų69.16%0.06432%0.324CS..Hα-helixtrans-53-49.7175.3169.483.9000111.2E20 Y21 K26 N27 T28 Y32 V35 G372E20-W24 WeakPolarHBondContact O-CB 3.47Å; E20-W24 PolarHBondContact O-N 2.85Å; Y21-W24 AromaticContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CE3 3.79Å; Y21-W24 HydrophobicContact CD2-CZ3 4.09Å; Y21-W24 AromaticContact CE2-CE3 3.62Å; Y21-W24 HydrophobicContact CE2-CE3 3.62Å; Y21-W24 HydrophobicContact CE2-CH2 4.45Å; Y21-W24 AromaticContact CE2-CZ3 3.42Å; Y21-W24 HydrophobicContact CE2-CZ3 3.42Å; Y21-W24 VanDerWaalsContact CE2-CZ3 3.42Å; Y21-W24 AromaticContact CZ-CZ3 3.96Å; Y21-W24 PolarHBondContact O-N 3.27Å; W24-K26 PolarHBondContact O-N 3.21Å; W24-K26 VanDerWaalsContact O-N 3.15Å; W24-N27 CarbonylContact O-C 3.49Å; W24-N27 WeakPolarHBondContact O-CA 3.41Å; W24-N27 PolarHBondContact O-N 3.35Å; W24-T28 HydrophobicContact CD2-CG2 3.99Å; W24-T28 HydrophobicContact CE3-CG2 4.17Å; W24-T28 HydrophobicContact CH2-CG2 3.91Å; W24-T28 HydrophobicContact CZ2-CG2 3.7Å; W24-T28 HydrophobicContact CZ3-CG2 4.12Å; W24-T28 PolarHBondContact O-N 2.99Å; W24-Y32 HydrophobicContact CZ2-CE2 4.23Å; W24-Y32 AromaticContact NE1-CE2 3.44Å; W24-Y32 AromaticContact NE1-CZ 3.52Å; W24-Y32 PolarHBondContact NE1-OH 3.06Å; W24-V35 HydrophobicContact CH2-CG1 4.09Å; W24-V35 HydrophobicContact CZ2-CG1 4.38Å; W24-G372 VanDerWaalsContact CE2-CA 3.46Å; W24-G372 VanDerWaalsContact CZ2-CA 3.41Å
25K85.1Confident89.2Confident45 Ų4564.6 Ų64.620%0.19631%0.305CS..Hα-helixtrans-60.8-26.7-179.1-162.6167.2-164.1-179.30113.9Y21 I23 T28 K102 G103Y21-K25 HydrophobicContact CE1-CD 4.2Å; Y21-K25 WeakPolarHBondContact O-CB 3.38Å; Y21-K25 PolarHBondContact O-N 3.01Å; I23-K25 VanDerWaalsContact C-N 3.32Å; I23-K25 PolarHBondContact O-N 3.48Å; K25-T28 PolarHBondContact O-OG1 3.11Å; K25-K102 PolarHBondContact NZ-O 3.38Å; K25-G103 WeakPolarHBondContact CE-O 3.35Å; K25-G103 PolarHBondContact NZ-O 3.45Å
26K86.8Confident89.1Confident145 Ų14557 Ų5763%0.6328%0.277SS*.Hα-helixtrans-77.9-25.6173.6-71.3172-174.4174.20112.7K22 I23 W24K22-K26 WeakPolarHBondContact O-CG 2.95Å; K22-K26 PolarHBondContact O-N 3.06Å; I23-K26 WeakPolarHBondContact O-CB 3.3Å; I23-K26 PolarHBondContact O-N 2.94Å; I23-K26 VanDerWaalsContact O-N 3.11Å; W24-K26 PolarHBondContact O-N 3.21Å; W24-K26 VanDerWaalsContact O-N 3.15Å
27N88.8Confident89Confident71 Ų7155.3 Ų55.338%0.3827%0.266SS..Hα-helixtrans-93.7-9.1-177.8-66.7-18.6000112.7I23 W24 P29 F30 L31I23-N27 PolarHBondContact O-N 2.97Å; W24-N27 CarbonylContact O-C 3.49Å; W24-N27 WeakPolarHBondContact O-CA 3.41Å; W24-N27 PolarHBondContact O-N 3.35Å; N27-P29 VanDerWaalsContact C-N 3.3Å; N27-P29 VanDerWaalsContact O-N 3.17Å; N27-F30 PolarHBondContact O-N 2.55Å; N27-L31 HydrophobicContact CB-CD1 3.82Å; N27-L31 HydrophobicContact CB-CG 4.39Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 3.49Å
28T86.9Confident88.8Confident8 Ų857 Ų575%0.04927%0.273CS..Hα-helixtrans-51.5-38.5-177.755.60000114.6W24 K25 F30 L31 Y32 F105W24-T28 HydrophobicContact CD2-CG2 3.99Å; W24-T28 HydrophobicContact CE3-CG2 4.17Å; W24-T28 HydrophobicContact CH2-CG2 3.91Å; W24-T28 HydrophobicContact CZ2-CG2 3.7Å; W24-T28 HydrophobicContact CZ3-CG2 4.12Å; W24-T28 PolarHBondContact O-N 2.99Å; K25-T28 PolarHBondContact O-OG1 3.11Å; T28-F30 PolarHBondContact O-N 3.09Å; T28-F30 VanDerWaalsContact O-N 3.11Å; T28-L31 PolarHBondContact O-N 3.34Å; T28-L31 VanDerWaalsContact O-N 3.14Å; T28-Y32 HydrophobicContact CG2-CD2 4.18Å; T28-Y32 HydrophobicContact CG2-CE2 4.25Å; T28-Y32 PolarHBondContact O-N 3.17Å; T28-Y32 VanDerWaalsContact O-N 3.09Å; T28-F105 PolarHBondContact OG1-O 2.64Å
29P83.7Confident89.1Confident33 Ų3357.1 Ų57.121%0.21428%0.284CS..Hα-helixtrans-67.3-14.8-179-23.238.3000114.7N27 F105N27-P29 VanDerWaalsContact C-N 3.3Å; N27-P29 VanDerWaalsContact O-N 3.17Å; P29-F105 HydrophobicContact CG-CB 3.33Å; P29-F105 HydrophobicContact CG-CG 4.25Å
30F87.3Confident89.1Confident152 Ų15253.4 Ų53.467%0.66727%0.267SS*.Hα-helixtrans-101.5-14.5178.7-53.5-70.8000112.6N27 T28N27-F30 PolarHBondContact O-N 2.55Å; T28-F30 PolarHBondContact O-N 3.09Å; T28-F30 VanDerWaalsContact O-N 3.11Å
31L90.1Very high89.2Confident53 Ų5356.2 Ų56.228%0.27728%0.28SS..Hα-helixtrans-110.3-19.4-170.5-66.3177.8000112.8N27 T28 F368 M404 A405N27-L31 HydrophobicContact CB-CD1 3.82Å; N27-L31 HydrophobicContact CB-CG 4.39Å; N27-L31 WeakPolarHBondContact O-CG 3.22Å; N27-L31 PolarHBondContact O-N 3.49Å; T28-L31 PolarHBondContact O-N 3.34Å; T28-L31 VanDerWaalsContact O-N 3.14Å; L31-F368 HydrophobicContact CB-CE2 4.16Å; L31-F368 HydrophobicContact CB-CZ 4.28Å; L31-F368 HydrophobicContact CD2-CE2 4.32Å; L31-M404 WeakPolarHBondContact O-CA 3.36Å; L31-A405 PolarHBondContact O-N 3.05Å
32Y88.5Confident89.5Confident5 Ų557.2 Ų57.22%0.0228%0.284CS..EExtended strand (participates in β ladder)trans-139.2140.7-171.2-57.4-92.8000112.1W24 T28 V35 F368 H370 W402 Q403W24-Y32 HydrophobicContact CZ2-CE2 4.23Å; W24-Y32 AromaticContact NE1-CE2 3.44Å; W24-Y32 AromaticContact NE1-CZ 3.52Å; W24-Y32 PolarHBondContact NE1-OH 3.06Å; T28-Y32 HydrophobicContact CG2-CD2 4.18Å; T28-Y32 HydrophobicContact CG2-CE2 4.25Å; T28-Y32 PolarHBondContact O-N 3.17Å; T28-Y32 VanDerWaalsContact O-N 3.09Å; Y32-V35 VanDerWaalsContact CB-CG2 3.44Å; Y32-V35 HydrophobicContact CD1-CG2 3.83Å; Y32-V35 HydrophobicContact CD2-CG2 3.82Å; Y32-V35 HydrophobicContact CG-CG2 3.42Å; Y32-V35 VanDerWaalsContact CG-CG2 3.42Å; Y32-F368 HydrophobicContact CD1-CZ 4.17Å; Y32-F368 AromaticContact CE1-CE1 3.65Å; Y32-F368 HydrophobicContact CE1-CE1 3.65Å; Y32-F368 AromaticContact CE1-CZ 3.51Å; Y32-F368 HydrophobicContact CE1-CZ 3.51Å; Y32-F368 HydrophobicContact CE2-CZ 4.03Å; Y32-F368 AromaticContact CZ-CE1 3.77Å; Y32-F368 AromaticContact CZ-CZ 3.41Å; Y32-F368 VanDerWaalsContact CZ-CZ 3.41Å; Y32-F368 WeakPolarHBondContact OH-CE1 3.42Å; Y32-F368 WeakPolarHBondContact OH-CZ 3.47Å; Y32-H370 AromaticContact CE1-ND1 3.61Å; Y32-H370 AromaticContact CZ-ND1 3.66Å; Y32-H370 PolarHBondContact OH-ND1 2.72Å; Y32-W402 HydrophobicContact CD1-CB 4.17Å; Y32-W402 AromaticContact CD1-CE3 3.94Å; Y32-W402 HydrophobicContact CD1-CE3 3.94Å; Y32-W402 HydrophobicContact CE1-CB 4.32Å; Y32-W402 HydrophobicContact CE1-CD2 4.1Å; Y32-W402 AromaticContact CE1-CE3 3.58Å; Y32-W402 HydrophobicContact CE1-CE3 3.58Å; Y32-W402 HydrophobicContact CE1-CG 4.43Å; Y32-W402 HydrophobicContact CE1-CZ3 4.21Å; Y32-Q403 CarbonylContact C-O 3.54Å; Y32-Q403 WeakPolarHBondContact CA-O 3.29Å; Y32-Q403 WeakPolarHBondContact CB-O 3.26Å
33D86.6Confident90Very high43 Ų4352.9 Ų52.923%0.2327%0.266CS..EExtended strand (participates in β ladder)trans-88.5-19.1165.7-66.5-28000111.4F93 Q403 A405 E406D33-F93 VanDerWaalsContact O-CD2 3.31Å; D33-F93 WeakPolarHBondContact O-CD2 3.48Å; D33-F93 WeakPolarHBondContact O-CE2 3.38Å; D33-Q403 PolarHBondContact N-O 2.94Å; D33-A405 WeakPolarHBondContact OD2-CA 3.48Å; D33-E406 PolarHBondContact OD2-N 3.37Å
34L86.2Confident90.2Very high13 Ų1348.3 Ų48.37%0.06824%0.243CC..EExtended strand (participates in β ladder)trans-145.2131.9175.5-178.167.8000110.5M36 L86 P87 V401 W402 Q403L34-M36 HydrophobicContact CD1-CG 3.88Å; L34-M36 HydrophobicContact CD1-SD 4.02Å; L34-M36 HydrophobicContact CD2-SD 4.37Å; L34-M36 HydrophobicContact CG-CG 4.33Å; L34-M36 HydrophobicContact CG-SD 4.49Å; L34-L86 HydrophobicContact CD2-CD2 3.83Å; L34-P87 HydrophobicContact CD1-CG 4.38Å; L34-V401 HydrophobicContact CD2-CG1 4.41Å; L34-W402 CarbonylContact O-C 3.57Å; L34-W402 WeakPolarHBondContact O-CA 3.48Å; L34-W402 WeakPolarHBondContact O-CB 3.34Å; L34-Q403 HydrophobicContact CB-CB 3.71Å; L34-Q403 PolarHBondContact N-O 3.01Å; L34-Q403 PolarHBondContact O-N 3Å
35V87.8Confident90.5Very high25 Ų2548.6 Ų48.615%0.15225%0.246CC..EExtended strand (participates in β ladder)trans-138.9123.1163.4-175.20000108.4W24 Y32 V401W24-V35 HydrophobicContact CH2-CG1 4.09Å; W24-V35 HydrophobicContact CZ2-CG1 4.38Å; Y32-V35 VanDerWaalsContact CB-CG2 3.44Å; Y32-V35 HydrophobicContact CD1-CG2 3.83Å; Y32-V35 HydrophobicContact CD2-CG2 3.82Å; Y32-V35 HydrophobicContact CG-CG2 3.42Å; Y32-V35 VanDerWaalsContact CG-CG2 3.42Å; V35-V401 CarbonylContact C-O 3.58Å
36M87.7Confident91.2Very high11 Ų1146.4 Ų46.45%0.05424%0.236CC..EExtended strand (participates in β ladder)trans-128.1100.7175.1-65.9173.350.700108.8L34 V84 L86 G113 I115 E400 V401L34-M36 HydrophobicContact CD1-CG 3.88Å; L34-M36 HydrophobicContact CD1-SD 4.02Å; L34-M36 HydrophobicContact CD2-SD 4.37Å; L34-M36 HydrophobicContact CG-CG 4.33Å; L34-M36 HydrophobicContact CG-SD 4.49Å; M36-V84 HydrophobicContact CE-CG1 3.69Å; M36-V84 HydrophobicContact SD-CG1 4.44Å; M36-L86 HydrophobicContact SD-CD2 4.07Å; M36-G113 VanDerWaalsContact CE-CA 3.46Å; M36-G113 WeakPolarHBondContact CE-O 3.45Å; M36-I115 HydrophobicContact CE-CD1 3.91Å; M36-I115 HydrophobicContact CE-CG1 3.93Å; M36-E400 WeakPolarHBondContact O-CA 3.45Å; M36-V401 HydrophobicContact CB-CB 4.19Å; M36-V401 WeakPolarHBondContact CB-O 3.48Å; M36-V401 PolarHBondContact N-O 3.19Å; M36-V401 PolarHBondContact O-N 2.74Å
37T89.9Confident91.8Very high24 Ų2439.6 Ų39.615%0.14721%0.207CC..EExtended strand (participates in β ladder)trans-91.8130.3175.4-52.60000110I398 E400T37-I398 HydrophobicContact CG2-CG2 3.9Å; T37-E400 HydrophobicContact CG2-CG 4.25Å; T37-E400 WeakPolarHBondContact CG2-OE1 3.31Å; T37-E400 PolarHBondContact OG1-OE1 3.39Å
38H90.4Very high92.2Very high60 Ų6038 Ų3828%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-135.8121.3178.9-172.983.8000110.8L40 I115 M399H38-L40 PolarHBondContact O-N 3.33Å; H38-I115 HydrophobicContact CB-CD1 3.51Å; H38-M399 HydrophobicContact CB-CE 4.31Å; H38-M399 PolarHBondContact N-O 2.83Å; H38-M399 PolarHBondContact O-N 3.24Å
39A93.8Very high92.8Very high72 Ų7237.8 Ų37.860%0.59520%0.195SC*.EExtended strand (participates in β ladder)trans-79.4111.5171.700000109.6I398A39-I398 HydrophobicContact CB-CD1 4.29Å
40L94.8Very high93.5Very high22 Ų2236.2 Ų36.212%0.11519%0.185CC..  trans-70.6156.3173.5-63.8170.4000110.7H38 W42 L68 N397 M399H38-L40 PolarHBondContact O-N 3.33Å; L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 VanDerWaalsContact CB-O 3.23Å; L40-W42 WeakPolarHBondContact CB-O 3.45Å; L40-W42 PolarHBondContact O-N 2.87Å; L40-L68 HydrophobicContact CD2-CD1 4.33Å; L40-N397 WeakPolarHBondContact CB-O 3.35Å; L40-N397 PolarHBondContact N-O 3.4Å; L40-N397 WeakPolarHBondContact O-CB 3.49Å; L40-N397 PolarHBondContact O-ND2 2.89Å; L40-M399 HydrophobicContact CD1-CB 3.98Å; L40-M399 HydrophobicContact CD2-CB 4.44Å; L40-M399 HydrophobicContact CD2-SD 4.48Å; L40-M399 HydrophobicContact CG-CB 4.03Å
41E94.6Very high94Very high126 Ų12631.3 Ų31.359%0.58917%0.169SC*.SBendtrans-61.1-40.1172.3-173178.8-169.500111.5K120 N397E41-K120 IonicContact OE2-NZ 3.43Å; E41-K120 PolarHBondContact OE2-NZ 3.49Å; E41-N397 PolarHBondContact O-ND2 2.84Å; E41-N397 VanDerWaalsContact O-ND2 3.1Å
42W97.1Very high94.3Very high75 Ų7531.3 Ų31.328%0.28417%0.169SC..SBendtrans-136.3150.3178-66.9111.6000110L40 T70 T72 E75 N397L40-W42 VanDerWaalsContact C-N 3.27Å; L40-W42 VanDerWaalsContact CB-O 3.23Å; L40-W42 WeakPolarHBondContact CB-O 3.45Å; L40-W42 PolarHBondContact O-N 2.87Å; W42-T70 HydrophobicContact CB-CG2 4.2Å; W42-T72 HydrophobicContact CB-CG2 3.9Å; W42-T72 HydrophobicContact CD2-CG2 3.45Å; W42-T72 VanDerWaalsContact CD2-CG2 3.45Å; W42-T72 HydrophobicContact CE3-CG2 3.96Å; W42-T72 HydrophobicContact CG-CG2 3.37Å; W42-E75 HydrophobicContact CZ2-CB 4.42Å; W42-E75 HydrophobicContact CZ2-CG 3.95Å; W42-E75 VanDerWaalsContact CZ2-OE2 3.24Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.36Å; W42-E75 PolarHBondContact NE1-OE2 3.31Å; W42-N397 VanDerWaalsContact CA-ND2 3.28Å; W42-N397 WeakPolarHBondContact CA-ND2 3.45Å
43P97.8Very high94.7Very high15 Ų1532.9 Ų32.910%0.09718%0.179CC..  trans-57.6149.2173.8-2031.7000111.4T70 H71 E395 N397P43-T70 CarbonylContact O-C 3.59Å; P43-T70 WeakPolarHBondContact O-CA 3.38Å; P43-H71 PolarHBondContact O-N 3.11Å; P43-E395 VanDerWaalsContact CG-O 3.25Å; P43-E395 WeakPolarHBondContact CG-O 3.44Å; P43-N397 WeakPolarHBondContact CD-ND2 3.19Å; P43-N397 WeakPolarHBondContact CG-OD1 3.45Å
44S98.7Very high95.2Very high0 Ų034.9 Ų34.90%019%0.193CC..  trans-113126.4172.9-172.20000109.5T46 G69 V393S44-T46 PolarHBondContact O-N 2.78Å; S44-T46 PolarHBondContact OG-N 3.18Å; S44-T46 PolarHBondContact OG-O 3.2Å; S44-G69 WeakPolarHBondContact CA-O 3.45Å; S44-G69 VanDerWaalsContact CB-O 3.25Å; S44-G69 WeakPolarHBondContact CB-O 3.21Å; S44-G69 PolarHBondContact OG-N 3.19Å; S44-G69 PolarHBondContact OG-O 3.14Å; S44-G69 VanDerWaalsContact OG-O 3.12Å; S44-V393 VanDerWaalsContact O-CG2 3.23Å; S44-V393 WeakPolarHBondContact O-CG2 3.29Å
45L98.8Very high95.6Very high22 Ų2240.4 Ų40.412%0.11521%0.213CC..SBendtrans-81.6-4.1172.7-63.2174.3000112.8H71 E126L45-H71 HydrophobicContact CD1-CB 4.06Å; L45-H71 HydrophobicContact CG-CB 3.92Å; L45-E126 HydrophobicContact CD1-CG 4.24Å
46T98.9Very high95.8Very high0 Ų041.5 Ų41.50%022%0.22CC..  trans-140.8143.9-173.4-175.90000111.5S44 V127 A130 R131 D379S44-T46 PolarHBondContact O-N 2.78Å; S44-T46 PolarHBondContact OG-N 3.18Å; S44-T46 PolarHBondContact OG-O 3.2Å; T46-V127 HydrophobicContact CG2-CG1 3.98Å; T46-A130 HydrophobicContact CG2-CB 3.87Å; T46-A130 PolarHBondContact OG1-N 3.19Å; T46-A130 PolarHBondContact OG1-O 3Å; T46-R131 PolarHBondContact OG1-NH1 3.37Å; T46-D379 WeakPolarHBondContact CA-OD2 3.41Å
47A98.8Very high96Very high1 Ų150.5 Ų50.51%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-144.2129170.300000109.4L68 D379 V393A47-L68 HydrophobicContact CB-CD2 4.16Å; A47-D379 HydrophobicContact CB-CB 4.49Å; A47-D379 PolarHBondContact N-OD2 3.21Å; A47-V393 HydrophobicContact CB-CG1 4.17Å; A47-V393 HydrophobicContact CB-CG2 3.96Å
48Q98.9Very high95.9Very high37 Ų3753.6 Ų53.617%0.17330%0.299CS..EExtended strand (participates in β ladder)trans-148.1127.7171.3-163.8-173.538.900110.9L50 L66 V67 H132Q48-L50 PolarHBondContact O-N 2.74Å; Q48-L66 CarbonylContact O-C 3.54Å; Q48-L66 WeakPolarHBondContact O-CA 3.17Å; Q48-V67 HydrophobicContact CB-CB 4.48Å; Q48-V67 PolarHBondContact N-O 2.92Å; Q48-V67 PolarHBondContact O-N 2.88Å; Q48-H132 VanDerWaalsContact CD-ND1 3.31Å; Q48-H132 PolarHBondContact OE1-ND1 3.02Å
49W98.9Very high95.7Very high4 Ų456.2 Ų56.22%0.01531%0.309CS..EExtended strand (participates in β ladder)trans-64.2135.2169.1-68.898.9000111H64 L66 V84 L86 H132 S381 W382 N383 P384 V389 C391 V401W49-H64 HydrophobicContact CE3-CB 3.84Å; W49-H64 HydrophobicContact CH2-CB 4.35Å; W49-H64 HydrophobicContact CZ3-CB 3.39Å; W49-L66 HydrophobicContact CB-CD2 4.44Å; W49-L66 HydrophobicContact CD2-CD2 3.49Å; W49-L66 VanDerWaalsContact CD2-CD2 3.49Å; W49-L66 HydrophobicContact CD2-CG 4.06Å; W49-L66 HydrophobicContact CE3-CD2 3.72Å; W49-L66 HydrophobicContact CE3-CG 3.76Å; W49-L66 HydrophobicContact CG-CD2 3.79Å; W49-L66 HydrophobicContact CH2-CD1 4.2Å; W49-L66 HydrophobicContact CH2-CD2 4.44Å; W49-L66 HydrophobicContact CH2-CG 4.23Å; W49-L66 HydrophobicContact CZ2-CD1 4.49Å; W49-L66 HydrophobicContact CZ2-CD2 4.26Å; W49-L66 HydrophobicContact CZ3-CD1 4.23Å; W49-L66 HydrophobicContact CZ3-CD2 4.17Å; W49-L66 HydrophobicContact CZ3-CG 3.82Å; W49-V84 HydrophobicContact CH2-CB 4.07Å; W49-V84 HydrophobicContact CH2-CG1 4.21Å; W49-V84 HydrophobicContact CH2-CG2 4.02Å; W49-V84 HydrophobicContact CZ3-CB 4.06Å; W49-V84 HydrophobicContact CZ3-CG2 3.98Å; W49-L86 HydrophobicContact CH2-CD1 4.08Å; W49-H132 PolarHBondContact O-CE1 2.75Å; W49-S381 VanDerWaalsContact CD1-O 3.28Å; W49-S381 PolarHBondContact N-OG 2.58Å; W49-S381 PolarHBondContact NE1-O 2.63Å; W49-W382 VanDerWaalsContact CD1-O 3.23Å; W49-N383 VanDerWaalsContact CD1-CA 3.42Å; W49-N383 HydrophobicContact CD2-CB 4.24Å; W49-N383 HydrophobicContact CG-CB 4.31Å; W49-N383 HydrophobicContact CZ2-CB 4.44Å; W49-P384 HydrophobicContact CB-CG 4.35Å; W49-V389 HydrophobicContact CZ2-CG1 4.24Å; W49-C391 HydrophobicContact CZ2-CB 3.79Å; W49-V401 HydrophobicContact CH2-CG1 4.08Å; W49-V401 HydrophobicContact CH2-CG2 4.35Å; W49-V401 HydrophobicContact CZ2-CG1 3.88Å; W49-V401 HydrophobicContact CZ2-CG2 4.3Å
50L98.8Very high95.3Very high0 Ų056 Ų560%030%0.298CS..EExtended strand (participates in β ladder)trans-75145.7160.7-72.5176.4000108.9Q48 D52 R65 V67 I81 H132 P137 Y154Q48-L50 PolarHBondContact O-N 2.74Å; L50-D52 VanDerWaalsContact C-N 3.29Å; L50-D52 WeakPolarHBondContact CB-OD1 2.88Å; L50-D52 PolarHBondContact O-N 3.05Å; L50-R65 HydrophobicContact CB-CB 4.18Å; L50-R65 HydrophobicContact CD1-CB 3.91Å; L50-R65 HydrophobicContact CG-CB 4.45Å; L50-R65 PolarHBondContact N-O 3.06Å; L50-V67 HydrophobicContact CD1-CG2 4.37Å; L50-V67 HydrophobicContact CD2-CG2 3.7Å; L50-V67 HydrophobicContact CG-CG2 3.81Å; L50-I81 HydrophobicContact CD1-CG2 4.22Å; L50-H132 HydrophobicContact CD2-CB 3.87Å; L50-P137 HydrophobicContact CD2-CB 4.2Å; L50-Y154 HydrophobicContact CD1-CE1 4.39Å
51P97.9Very high95Very high50 Ų5056.3 Ų56.333%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-77-16-173.230.9-35.7000113.2P137 N385P51-P137 HydrophobicContact CG-CB 3.95Å; P51-P137 HydrophobicContact CG-CG 3.48Å; P51-P137 VanDerWaalsContact CG-CG 3.48Å; P51-N385 PolarHBondContact O-ND2 2.92Å
52D95.8Very high94.9Very high52 Ų5250.3 Ų50.328%0.27827%0.271SS..EExtended strand (participates in β ladder)trans-80.3142.9-179.265.8-80000112.7L50 R65L50-D52 VanDerWaalsContact C-N 3.29Å; L50-D52 WeakPolarHBondContact CB-OD1 2.88Å; L50-D52 PolarHBondContact O-N 3.05Å; D52-R65 IonicContact OD1-CZ 2.88Å; D52-R65 IonicContact OD1-NE 3.59Å; D52-R65 IonicContact OD1-NH2 2.58Å; D52-R65 PolarHBondContact OD1-NH2 2.82Å; D52-R65 IonicContact OD2-CZ 3.8Å; D52-R65 IonicContact OD2-NE 3.19Å; D52-R65 PolarHBondContact OD2-NE 2.76Å; D52-R65 IonicContact OD2-NH2 3.65Å; D52-R65 PolarHBondContact OD2-NH2 2.81Å
53V96.9Very high94.8Very high39 Ų3948.1 Ų48.124%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-133.5133.9178.6-1760000109R55 H64 N385V53-R55 HydrophobicContact CG1-CG 4.18Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.45Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.25Å; V53-H64 WeakPolarHBondContact CG2-ND1 3.34Å; V53-N385 HydrophobicContact CG2-CB 3.67Å; V53-N385 WeakPolarHBondContact CG2-ND2 3.34Å
54T96.6Very high94.9Very high84 Ų8447.4 Ų47.452%0.51526%0.261SS..EExtended strand (participates in β ladder)trans-107.4124.4172.7-58.60000109.4P56 V63T54-P56 WeakPolarHBondContact O-CD 3.33Å; T54-V63 PolarHBondContact N-O 3.15Å; T54-V63 PolarHBondContact O-N 2.99Å
55R94.4Very high94.8Very high130 Ų13049 Ų4949%0.49127%0.267SS..  trans-111.597.1176.8-59-169.7-171-89.10.3109.8V53 N88 E386V53-R55 HydrophobicContact CG1-CG 4.18Å; R55-N88 PolarHBondContact NH1-OD1 3.42Å; R55-E386 IonicContact CZ-OE1 3.32Å; R55-E386 VanDerWaalsContact CZ-OE1 3.32Å; R55-E386 IonicContact NH1-OE1 2.95Å; R55-E386 PolarHBondContact NH1-OE1 2.96Å; R55-E386 IonicContact NH2-OE1 3.4Å; R55-E386 PolarHBondContact NH2-OE1 3.25Å
56P91.8Very high94.8Very high47 Ų4748 Ų4831%0.30526%0.261SS..  trans-65.4134.3-179.2-18.331.6000111.5T54 G58 K59 F61T54-P56 WeakPolarHBondContact O-CD 3.33Å; P56-G58 PolarHBondContact O-N 3.02Å; P56-K59 HydrophobicContact CB-CB 4.18Å; P56-K59 HydrophobicContact CB-CG 3.8Å; P56-K59 HydrophobicContact CG-CG 4.46Å; P56-K59 PolarHBondContact O-N 2.88Å; P56-F61 HydrophobicContact CG-CE2 4.32Å
57E92.3Very high94.8Very high200 Ų20048 Ų4894%0.93526%0.261SS*.THydrogen-bonded Turntrans-59.3131.1-179.9-69.4-175.7-179.300112K59E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 3.15Å
58G87.6Confident94.8Very high89 Ų8948.1 Ų48.192%0.91826%0.262SS*.THydrogen-bonded Turntrans73.315178.300000114.9P56P56-G58 PolarHBondContact O-N 3.02Å
59K87.4Confident94.8Very high116 Ų11646.5 Ų46.550%0.50426%0.256SS..  trans-105.7146.9170.4-62-58.8-173.1175.40110.8P56 E57 F61 N88P56-K59 HydrophobicContact CB-CB 4.18Å; P56-K59 HydrophobicContact CB-CG 3.8Å; P56-K59 HydrophobicContact CG-CG 4.46Å; P56-K59 PolarHBondContact O-N 2.88Å; E57-K59 VanDerWaalsContact C-N 3.28Å; E57-K59 PolarHBondContact O-N 3.15Å; K59-F61 HydrophobicContact CB-CD1 4.01Å; K59-F61 HydrophobicContact CB-CE1 3.88Å; K59-F61 HydrophobicContact CB-CZ 4.29Å; K59-F61 HydrophobicContact CD-CE1 3.94Å; K59-F61 HydrophobicContact CD-CZ 4.45Å; K59-F61 HydrophobicContact CG-CE1 3.98Å; K59-F61 HydrophobicContact CG-CZ 4.18Å; K59-F61 PolarHBondContact O-N 3.16Å; K59-N88 PolarHBondContact O-ND2 3.4Å
60D84.2Confident94.8Very high67 Ų6746.8 Ų46.836%0.35826%0.258SS..SBendtrans-87.111.6177.556.5-16.5000112.8N88 A91D60-N88 PolarHBondContact O-N 2.86Å; D60-A91 HydrophobicContact CB-CB 4.23Å
61F88.4Confident94.7Very high29 Ų2950.5 Ų50.513%0.12728%0.275CS..EExtended strand (participates in β ladder)trans-135.9155.1177.367.8-94.4000111.7P56 K59 V63 Q85 L86 N88P56-F61 HydrophobicContact CG-CE2 4.32Å; K59-F61 HydrophobicContact CB-CD1 4.01Å; K59-F61 HydrophobicContact CB-CE1 3.88Å; K59-F61 HydrophobicContact CB-CZ 4.29Å; K59-F61 HydrophobicContact CD-CE1 3.94Å; K59-F61 HydrophobicContact CD-CZ 4.45Å; K59-F61 HydrophobicContact CG-CE1 3.98Å; K59-F61 HydrophobicContact CG-CZ 4.18Å; K59-F61 PolarHBondContact O-N 3.16Å; F61-V63 HydrophobicContact CD2-CG2 4.19Å; F61-V63 HydrophobicContact CE2-CG2 3.87Å; F61-Q85 HydrophobicContact CD2-CB 3.92Å; F61-Q85 HydrophobicContact CD2-CG 3.85Å; F61-Q85 HydrophobicContact CE2-CB 4.45Å; F61-Q85 HydrophobicContact CE2-CG 3.89Å; F61-Q85 HydrophobicContact CG-CB 4.36Å; F61-L86 CarbonylContact C-O 3.56Å; F61-L86 WeakPolarHBondContact CA-O 3.49Å; F61-L86 WeakPolarHBondContact CB-O 3.35Å; F61-N88 PolarHBondContact N-ND2 2.83Å
62S92.8Very high94.5Very high0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-106152.8166.754.50000110.2H64 Q85 L86 N88S62-H64 PolarHBondContact OG-CD2 2.74Å; S62-H64 PolarHBondContact OG-NE2 3.15Å; S62-Q85 CarbonylContact O-C 3.59Å; S62-Q85 WeakPolarHBondContact O-CA 3.14Å; S62-L86 PolarHBondContact N-O 2.8Å; S62-L86 PolarHBondContact O-N 3.02Å; S62-L86 PolarHBondContact OG-O 2.87Å; S62-N88 PolarHBondContact N-OD1 2.99Å
63V96.1Very high93.9Very high28 Ų2851.3 Ų51.317%0.1729%0.285CS..EExtended strand (participates in β ladder)trans-104.6113174.2-173.80000108.3T54 F61 Q85T54-V63 PolarHBondContact N-O 3.15Å; T54-V63 PolarHBondContact O-N 2.99Å; F61-V63 HydrophobicContact CD2-CG2 4.19Å; F61-V63 HydrophobicContact CE2-CG2 3.87Å; V63-Q85 HydrophobicContact CG2-CG 4.4Å
64H98Very high93.3Very high0 Ų057.3 Ų57.30%032%0.316CS..EExtended strand (participates in β ladder)trans-103163.3173.2-65.8-110.8000109.1W49 V53 S62 S83 V84 L86 N383 E386W49-H64 HydrophobicContact CE3-CB 3.84Å; W49-H64 HydrophobicContact CH2-CB 4.35Å; W49-H64 HydrophobicContact CZ3-CB 3.39Å; V53-H64 WeakPolarHBondContact CG1-NE2 3.45Å; V53-H64 WeakPolarHBondContact CG2-CE1 3.25Å; V53-H64 WeakPolarHBondContact CG2-ND1 3.34Å; S62-H64 PolarHBondContact OG-CD2 2.74Å; S62-H64 PolarHBondContact OG-NE2 3.15Å; H64-S83 CarbonylContact O-C 3.55Å; H64-S83 WeakPolarHBondContact O-CA 3.43Å; H64-V84 PolarHBondContact N-O 2.88Å; H64-V84 PolarHBondContact O-N 3.15Å; H64-L86 HydrophobicContact CB-CD1 4.36Å; H64-N383 PolarHBondContact ND1-ND2 3.05Å; H64-E386 IonicContact CE1-OE1 2.69Å; H64-E386 IonicContact NE2-OE1 2.72Å
65R98.6Very high93.1Very high35 Ų3558.6 Ų58.613%0.13232%0.316CS..EExtended strand (participates in β ladder)trans-130.3148.6177.9-65.2-174-63.5153.12.3112.3L50 D52 I81 A82 E118 Y154L50-R65 HydrophobicContact CB-CB 4.18Å; L50-R65 HydrophobicContact CD1-CB 3.91Å; L50-R65 HydrophobicContact CG-CB 4.45Å; L50-R65 PolarHBondContact N-O 3.06Å; D52-R65 IonicContact OD1-CZ 2.88Å; D52-R65 IonicContact OD1-NE 3.59Å; D52-R65 IonicContact OD1-NH2 2.58Å; D52-R65 PolarHBondContact OD1-NH2 2.82Å; D52-R65 IonicContact OD2-CZ 3.8Å; D52-R65 IonicContact OD2-NE 3.19Å; D52-R65 PolarHBondContact OD2-NE 2.76Å; D52-R65 IonicContact OD2-NH2 3.65Å; D52-R65 PolarHBondContact OD2-NH2 2.81Å; R65-I81 HydrophobicContact CB-CG2 4.44Å; R65-A82 CarbonylContact C-O 3.58Å; R65-A82 WeakPolarHBondContact CA-O 3.47Å; R65-A82 WeakPolarHBondContact CB-O 3.47Å; R65-E118 VanDerWaalsContact CD-OE2 3.25Å; R65-E118 WeakPolarHBondContact CD-OE2 3.46Å; R65-Y154 PolarHBondContact NH1-OH 3.35Å; R65-Y154 VanDerWaalsContact NH1-OH 3.15Å; R65-Y154 PolarHBondContact NH2-OH 2.86Å
66L98.7Very high93.2Very high0 Ų055.8 Ų55.80%031%0.309CS..EExtended strand (participates in β ladder)trans-120.4141.8178.6-77.2164.5000110.2Q48 W49 L68 I81 A82 V84 C391 M399Q48-L66 CarbonylContact O-C 3.54Å; Q48-L66 WeakPolarHBondContact O-CA 3.17Å; W49-L66 HydrophobicContact CB-CD2 4.44Å; W49-L66 HydrophobicContact CD2-CD2 3.49Å; W49-L66 VanDerWaalsContact CD2-CD2 3.49Å; W49-L66 HydrophobicContact CD2-CG 4.06Å; W49-L66 HydrophobicContact CE3-CD2 3.72Å; W49-L66 HydrophobicContact CE3-CG 3.76Å; W49-L66 HydrophobicContact CG-CD2 3.79Å; W49-L66 HydrophobicContact CH2-CD1 4.2Å; W49-L66 HydrophobicContact CH2-CD2 4.44Å; W49-L66 HydrophobicContact CH2-CG 4.23Å; W49-L66 HydrophobicContact CZ2-CD1 4.49Å; W49-L66 HydrophobicContact CZ2-CD2 4.26Å; W49-L66 HydrophobicContact CZ3-CD1 4.23Å; W49-L66 HydrophobicContact CZ3-CD2 4.17Å; W49-L66 HydrophobicContact CZ3-CG 3.82Å; L66-L68 HydrophobicContact CB-CD2 4.45Å; L66-L68 HydrophobicContact CB-CG 4.19Å; L66-I81 WeakPolarHBondContact O-CA 3.33Å; L66-A82 PolarHBondContact N-O 2.88Å; L66-A82 PolarHBondContact O-N 3.41Å; L66-V84 HydrophobicContact CD1-CG2 3.59Å; L66-V84 HydrophobicContact CG-CG2 4.21Å; L66-C391 HydrophobicContact CD1-CB 4.22Å; L66-C391 VanDerWaalsContact CD1-SG 3.55Å; L66-C391 HydrophobicContact CD2-CB 3.87Å; L66-M399 HydrophobicContact CD1-CE 4.41Å; L66-M399 HydrophobicContact CD1-SD 3.95Å
67V98.9Very high93.6Very high0 Ų054 Ų540%030%0.296CS..EExtended strand (participates in β ladder)trans-92.7121162.3-175.20000108Q48 L50 L79 A130 I140Q48-V67 HydrophobicContact CB-CB 4.48Å; Q48-V67 PolarHBondContact N-O 2.92Å; Q48-V67 PolarHBondContact O-N 2.88Å; L50-V67 HydrophobicContact CD1-CG2 4.37Å; L50-V67 HydrophobicContact CD2-CG2 3.7Å; L50-V67 HydrophobicContact CG-CG2 3.81Å; V67-L79 HydrophobicContact CG1-CD1 3.85Å; V67-A130 HydrophobicContact CG1-CB 3.61Å; V67-I140 HydrophobicContact CG1-CD1 4.01Å; V67-I140 HydrophobicContact CG1-CG2 4.08Å; V67-I140 HydrophobicContact CG2-CD1 3.75Å; V67-I140 HydrophobicContact CG2-CG1 4.45Å
68L98.9Very high93.9Very high3 Ų345.6 Ų45.62%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-127.7166.7180-60.2172.7000110L40 A47 L66 V80 A82 V393 M399L40-L68 HydrophobicContact CD2-CD1 4.33Å; A47-L68 HydrophobicContact CB-CD2 4.16Å; L66-L68 HydrophobicContact CB-CD2 4.45Å; L66-L68 HydrophobicContact CB-CG 4.19Å; L68-V80 HydrophobicContact CB-CB 4.11Å; L68-V80 PolarHBondContact N-O 2.9Å; L68-V80 PolarHBondContact O-N 2.92Å; L68-A82 HydrophobicContact CD1-CB 4Å; L68-V393 HydrophobicContact CD2-CG1 4.21Å; L68-M399 HydrophobicContact CD1-SD 3.75Å; L68-M399 HydrophobicContact CD2-SD 4.1Å
69G98.6Very high94.4Very high4 Ų441.4 Ų41.44%0.04121%0.214CC..EExtended strand (participates in β ladder)trans-125.6173.8173.700000111.3S44S44-G69 WeakPolarHBondContact CA-O 3.45Å; S44-G69 VanDerWaalsContact CB-O 3.25Å; S44-G69 WeakPolarHBondContact CB-O 3.21Å; S44-G69 PolarHBondContact OG-N 3.19Å; S44-G69 PolarHBondContact OG-O 3.14Å; S44-G69 VanDerWaalsContact OG-O 3.12Å
70T98.4Very high94.9Very high10 Ų1036.2 Ų36.26%0.06119%0.192CC..  trans-116149.3164.663.50000110W42 P43 N77 H78 V80 E126 V127W42-T70 HydrophobicContact CB-CG2 4.2Å; P43-T70 CarbonylContact O-C 3.59Å; P43-T70 WeakPolarHBondContact O-CA 3.38Å; T70-N77 VanDerWaalsContact C-OD1 3.25Å; T70-N77 PolarHBondContact O-OD1 3Å; T70-N77 WeakPolarHBondContact OG1-CA 3.5Å; T70-N77 WeakPolarHBondContact OG1-CB 3.43Å; T70-N77 PolarHBondContact OG1-OD1 3.37Å; T70-H78 HydrophobicContact CG2-CB 4.25Å; T70-H78 PolarHBondContact N-O 2.9Å; T70-H78 PolarHBondContact OG1-N 3.05Å; T70-V80 HydrophobicContact CG2-CG2 4.08Å; T70-E126 WeakPolarHBondContact O-CA 3.3Å; T70-E126 WeakPolarHBondContact O-CB 3.18Å; T70-V127 PolarHBondContact O-N 2.74Å
71H96.8Very high95.6Very high78 Ų7833.1 Ų33.136%0.36118%0.175SC..  trans-127.997.2168.7178.7-159.1000108.8P43 L45 E126P43-H71 PolarHBondContact O-N 3.11Å; L45-H71 HydrophobicContact CD1-CB 4.06Å; L45-H71 HydrophobicContact CG-CB 3.92Å; H71-E126 HydrophobicContact CB-CB 4.17Å
72T93.3Very high96.1Very high7 Ų731.7 Ų31.74%0.04317%0.169CC..  trans-116.2149.6-176.679.10000110.8W42 E75 N77W42-T72 HydrophobicContact CB-CG2 3.9Å; W42-T72 HydrophobicContact CD2-CG2 3.45Å; W42-T72 VanDerWaalsContact CD2-CG2 3.45Å; W42-T72 HydrophobicContact CE3-CG2 3.96Å; W42-T72 HydrophobicContact CG-CG2 3.37Å; T72-E75 HydrophobicContact CG2-CB 4.31Å; T72-E75 PolarHBondContact OG1-N 3.28Å; T72-E75 PolarHBondContact OG1-O 2.86Å; T72-N77 PolarHBondContact N-OD1 3Å; T72-N77 VanDerWaalsContact N-OD1 3.16Å; T72-N77 PolarHBondContact OG1-ND2 3.06Å
73S82.9Confident96.3Very high111 Ų11132 Ų3278%0.77617%0.171SC*.SBendtrans-76.7-39.2179.6-49.80000114.2
74D84.3Confident96.3Very high165 Ų16530.7 Ų30.788%0.88216%0.163SC*.SBendtrans-144.36.3-174.4-71.2-53.2000113.5
75E93.5Very high96.1Very high111 Ų11132.7 Ų32.752%0.51917%0.173SC..SBendtrans-98.4168-179.9-67.3-158.4179.500112.4W42 T72 N77W42-E75 HydrophobicContact CZ2-CB 4.42Å; W42-E75 HydrophobicContact CZ2-CG 3.95Å; W42-E75 VanDerWaalsContact CZ2-OE2 3.24Å; W42-E75 WeakPolarHBondContact CZ2-OE2 3.36Å; W42-E75 PolarHBondContact NE1-OE2 3.31Å; T72-E75 HydrophobicContact CG2-CB 4.31Å; T72-E75 PolarHBondContact OG1-N 3.28Å; T72-E75 PolarHBondContact OG1-O 2.86Å; E75-N77 PolarHBondContact O-N 2.84Å
76Q96.7Very high95.7Very high71 Ų7131.1 Ų31.133%0.33217%0.167SC..PPolyproline II helixtrans-66.8118.8174.1179.656.360.400109.1H78 H123 G165Q76-H78 PolarHBondContact O-CE1 3.1Å; Q76-H78 PolarHBondContact O-ND1 2.8Å; Q76-H123 PolarHBondContact NE2-O 2.88Å; Q76-G165 PolarHBondContact OE1-O 3.15Å; Q76-G165 VanDerWaalsContact OE1-O 3.05Å
77N98.4Very high95Very high9 Ų932.2 Ų32.25%0.04817%0.174CC..PPolyproline II helixtrans-78.7153.9174.7-80.6-73.3000111.8T70 T72 E75 H123 G125 E126T70-N77 VanDerWaalsContact C-OD1 3.25Å; T70-N77 PolarHBondContact O-OD1 3Å; T70-N77 WeakPolarHBondContact OG1-CA 3.5Å; T70-N77 WeakPolarHBondContact OG1-CB 3.43Å; T70-N77 PolarHBondContact OG1-OD1 3.37Å; T72-N77 PolarHBondContact N-OD1 3Å; T72-N77 VanDerWaalsContact N-OD1 3.16Å; T72-N77 PolarHBondContact OG1-ND2 3.06Å; E75-N77 PolarHBondContact O-N 2.84Å; N77-H123 PolarHBondContact O-N 3.48Å; N77-G125 VanDerWaalsContact CB-C 3.5Å; N77-G125 WeakPolarHBondContact CB-O 3.26Å; N77-E126 PolarHBondContact ND2-N 2.9Å
78H98.7Very high94.2Very high24 Ų2433.2 Ų33.211%0.11118%0.179CC..EExtended strand (participates in β ladder)trans-137.3142.5-175.9-56.987.7000112.5T70 Q76 V80 K120 I121T70-H78 HydrophobicContact CG2-CB 4.25Å; T70-H78 PolarHBondContact N-O 2.9Å; T70-H78 PolarHBondContact OG1-N 3.05Å; Q76-H78 PolarHBondContact O-CE1 3.1Å; Q76-H78 PolarHBondContact O-ND1 2.8Å; H78-V80 HydrophobicContact CB-CG2 3.92Å; H78-K120 HydrophobicContact CB-CB 4.41Å; H78-I121 CarbonylContact C-O 3.45Å; H78-I121 WeakPolarHBondContact CA-O 3.31Å
79L98.8Very high92.9Very high1 Ų140.1 Ų40.11%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-79.2130154.1172.863.9000107.7V67 I121 A130 I140 T142 F152V67-L79 HydrophobicContact CG1-CD1 3.85Å; L79-I121 HydrophobicContact CB-CB 4.4Å; L79-I121 HydrophobicContact CD2-CD1 4.42Å; L79-I121 PolarHBondContact N-O 3.39Å; L79-I121 PolarHBondContact O-N 3.17Å; L79-A130 HydrophobicContact CD1-CB 3.94Å; L79-I140 HydrophobicContact CD1-CG2 4.16Å; L79-I140 HydrophobicContact CD2-CB 4.31Å; L79-I140 HydrophobicContact CD2-CD1 4.47Å; L79-I140 HydrophobicContact CD2-CG2 4.06Å; L79-T142 HydrophobicContact CD1-CG2 3.98Å; L79-T142 HydrophobicContact CD2-CG2 4.11Å; L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.84Å; L79-F152 HydrophobicContact CD2-CG 4.02Å
80V98.8Very high91.3Very high7 Ų746.1 Ų46.14%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-124.2133.6-168.9-1760000110.4L68 T70 H78 I117 I119 K120L68-V80 HydrophobicContact CB-CB 4.11Å; L68-V80 PolarHBondContact N-O 2.9Å; L68-V80 PolarHBondContact O-N 2.92Å; T70-V80 HydrophobicContact CG2-CG2 4.08Å; H78-V80 HydrophobicContact CB-CG2 3.92Å; V80-I117 HydrophobicContact CG1-CD1 3.78Å; V80-I117 HydrophobicContact CG1-CG1 4.46Å; V80-I117 HydrophobicContact CG1-CG2 3.64Å; V80-I119 WeakPolarHBondContact CA-O 3.01Å; V80-K120 HydrophobicContact CG2-CG 4.31Å
81I98.7Very high89.6Confident2 Ų246.4 Ų46.41%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-113.5120.4166.9-60.1167000107.8L50 R65 L66 E118 I119 I140 Y154L50-I81 HydrophobicContact CD1-CG2 4.22Å; R65-I81 HydrophobicContact CB-CG2 4.44Å; L66-I81 WeakPolarHBondContact O-CA 3.33Å; I81-E118 PolarHBondContact O-N 3.26Å; I81-I119 HydrophobicContact CB-CB 4.13Å; I81-I119 HydrophobicContact CD1-CB 4.39Å; I81-I119 HydrophobicContact CD1-CD1 4.06Å; I81-I119 PolarHBondContact N-O 2.84Å; I81-I119 PolarHBondContact O-N 2.78Å; I81-I140 HydrophobicContact CD1-CD1 4.14Å; I81-I140 HydrophobicContact CG1-CD1 4.41Å; I81-Y154 VanDerWaalsContact CD1-CB 3.46Å; I81-Y154 HydrophobicContact CD1-CD1 3.33Å; I81-Y154 HydrophobicContact CD1-CD2 3.61Å; I81-Y154 HydrophobicContact CD1-CE1 3.84Å; I81-Y154 HydrophobicContact CD1-CE2 4.17Å; I81-Y154 HydrophobicContact CD1-CG 3.18Å
82A98.2Very high87.8Confident0 Ų050.9 Ų50.90%027%0.272CS..EExtended strand (participates in β ladder)trans-110.7148.4178.300000110.3R65 L66 L68 E116 I117R65-A82 CarbonylContact C-O 3.58Å; R65-A82 WeakPolarHBondContact CA-O 3.47Å; R65-A82 WeakPolarHBondContact CB-O 3.47Å; L66-A82 PolarHBondContact N-O 2.88Å; L66-A82 PolarHBondContact O-N 3.41Å; L68-A82 HydrophobicContact CD1-CB 4Å; A82-E116 CarbonylContact C-O 3.55Å; A82-E116 VanDerWaalsContact CA-O 3.26Å; A82-E116 WeakPolarHBondContact CA-O 3.3Å; A82-I117 HydrophobicContact CB-CD1 3.84Å
83S97.4Very high86Confident7 Ų754 Ų545%0.04929%0.285CS..EExtended strand (participates in β ladder)trans-99.7144.9166.659.80000110.4H64 I115 E116 E118H64-S83 CarbonylContact O-C 3.55Å; H64-S83 WeakPolarHBondContact O-CA 3.43Å; S83-I115 VanDerWaalsContact O-CA 3.3Å; S83-I115 WeakPolarHBondContact O-CA 3.4Å; S83-E116 PolarHBondContact N-O 2.98Å; S83-E116 PolarHBondContact O-N 3.47Å; S83-E116 PolarHBondContact OG-O 3.08Å; S83-E118 WeakPolarHBondContact CB-OE1 3.5Å
84V95.8Very high84.7Confident0 Ų051.7 Ų51.70%026%0.264CS..EExtended strand (participates in β ladder)trans-129.1123.8177.4-170.70000108M36 W49 H64 L66 L86 K114 I115 V401M36-V84 HydrophobicContact CE-CG1 3.69Å; M36-V84 HydrophobicContact SD-CG1 4.44Å; W49-V84 HydrophobicContact CH2-CB 4.07Å; W49-V84 HydrophobicContact CH2-CG1 4.21Å; W49-V84 HydrophobicContact CH2-CG2 4.02Å; W49-V84 HydrophobicContact CZ3-CB 4.06Å; W49-V84 HydrophobicContact CZ3-CG2 3.98Å; H64-V84 PolarHBondContact N-O 2.88Å; H64-V84 PolarHBondContact O-N 3.15Å; L66-V84 HydrophobicContact CD1-CG2 3.59Å; L66-V84 HydrophobicContact CG-CG2 4.21Å; V84-L86 HydrophobicContact CG1-CD2 3.89Å; V84-L86 HydrophobicContact CG1-CG 4.25Å; V84-K114 WeakPolarHBondContact CA-O 3.48Å; V84-I115 HydrophobicContact CG1-CG1 4.08Å; V84-I115 HydrophobicContact CG2-CG1 4.21Å; V84-V401 HydrophobicContact CG1-CG2 4.37Å
85Q93.9Very high83.2Confident42 Ų4246.1 Ų46.120%0.19624%0.241CC..EExtended strand (participates in β ladder)trans-85.6111.2171-63.6-179.46.800109.1F61 S62 V63 G113 K114F61-Q85 HydrophobicContact CD2-CB 3.92Å; F61-Q85 HydrophobicContact CD2-CG 3.85Å; F61-Q85 HydrophobicContact CE2-CB 4.45Å; F61-Q85 HydrophobicContact CE2-CG 3.89Å; F61-Q85 HydrophobicContact CG-CB 4.36Å; S62-Q85 CarbonylContact O-C 3.59Å; S62-Q85 WeakPolarHBondContact O-CA 3.14Å; V63-Q85 HydrophobicContact CG2-CG 4.4Å; Q85-G113 WeakPolarHBondContact O-CA 3.47Å; Q85-K114 HydrophobicContact CG-CB 4.29Å; Q85-K114 PolarHBondContact N-O 3.03Å
86L90.5Very high81Confident2 Ų245.5 Ų45.51%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-101.7136175.5-66.1-177.4000109.8L34 M36 W49 F61 S62 H64 V84 N383 E386 V389 V401L34-L86 HydrophobicContact CD2-CD2 3.83Å; M36-L86 HydrophobicContact SD-CD2 4.07Å; W49-L86 HydrophobicContact CH2-CD1 4.08Å; F61-L86 CarbonylContact C-O 3.56Å; F61-L86 WeakPolarHBondContact CA-O 3.49Å; F61-L86 WeakPolarHBondContact CB-O 3.35Å; S62-L86 PolarHBondContact N-O 2.8Å; S62-L86 PolarHBondContact O-N 3.02Å; S62-L86 PolarHBondContact OG-O 2.87Å; H64-L86 HydrophobicContact CB-CD1 4.36Å; V84-L86 HydrophobicContact CG1-CD2 3.89Å; V84-L86 HydrophobicContact CG1-CG 4.25Å; L86-N383 VanDerWaalsContact CD1-ND2 3.3Å; L86-N383 WeakPolarHBondContact CD1-ND2 3.46Å; L86-E386 HydrophobicContact CD1-CG 4.21Å; L86-V389 HydrophobicContact CD1-CG1 4.07Å; L86-V401 HydrophobicContact CD2-CG1 3.86Å
87P84.7Confident78.7Confident23 Ų2347 Ų4715%0.14926%0.256CS..EExtended strand (participates in β ladder)trans-57.1143.2170.2-20.832.7000111L34 A91 F108L34-P87 HydrophobicContact CD1-CG 4.38Å; P87-A91 HydrophobicContact CB-CB 4.1Å; P87-F108 HydrophobicContact CB-CB 4.39Å; P87-F108 HydrophobicContact CB-CD1 3.74Å; P87-F108 HydrophobicContact CB-CD2 3.56Å; P87-F108 HydrophobicContact CB-CE1 3.74Å; P87-F108 HydrophobicContact CB-CE2 3.58Å; P87-F108 HydrophobicContact CB-CG 3.62Å; P87-F108 HydrophobicContact CB-CZ 3.66Å; P87-F108 HydrophobicContact CG-CB 4.12Å; P87-F108 HydrophobicContact CG-CD1 4.27Å; P87-F108 HydrophobicContact CG-CD2 3.25Å; P87-F108 HydrophobicContact CG-CE2 3.58Å; P87-F108 HydrophobicContact CG-CG 3.61Å; P87-F108 HydrophobicContact CG-CZ 4.21Å
88N81.3Confident76.5Confident20 Ų2051.6 Ų51.611%0.10727%0.273CS..PPolyproline II helixtrans-78.8160.5168.4-63-36.9000110.1R55 K59 D60 F61 S62 D90 A91R55-N88 PolarHBondContact NH1-OD1 3.42Å; K59-N88 PolarHBondContact O-ND2 3.4Å; D60-N88 PolarHBondContact O-N 2.86Å; F61-N88 PolarHBondContact N-ND2 2.83Å; S62-N88 PolarHBondContact N-OD1 2.99Å; N88-D90 WeakPolarHBondContact CB-OD1 3.46Å; N88-D90 PolarHBondContact O-N 2.85Å; N88-D90 VanDerWaalsContact O-N 3.08Å; N88-A91 WeakPolarHBondContact O-CB 3.37Å; N88-A91 PolarHBondContact O-N 3.24Å
89D70.4Confident74.4Confident148 Ų14852.5 Ų52.579%0.79128%0.279SS*.THydrogen-bonded Turntrans-54.5-28.2177.2-65.1-24.4000114.4A91D89-A91 VanDerWaalsContact C-N 3.33Å
90D65.8Low71.7Confident131 Ų13157.1 Ų57.170%0.70131%0.311SS*.THydrogen-bonded Turntrans-85.3-4.3179.966.7-36.3000113.8N88N88-D90 WeakPolarHBondContact CB-OD1 3.46Å; N88-D90 PolarHBondContact O-N 2.85Å; N88-D90 VanDerWaalsContact O-N 3.08Å
91A62.9Low69.3Low16 Ų1665.8 Ų65.813%0.13235%0.351CS..SBendtrans-69.7146.3174.200000110D60 P87 N88 D89 F93 F108D60-A91 HydrophobicContact CB-CB 4.23Å; P87-A91 HydrophobicContact CB-CB 4.1Å; N88-A91 WeakPolarHBondContact O-CB 3.37Å; N88-A91 PolarHBondContact O-N 3.24Å; D89-A91 VanDerWaalsContact C-N 3.33Å; A91-F93 PolarHBondContact O-N 3Å; A91-F108 VanDerWaalsContact C-CE1 3.48Å; A91-F108 HydrophobicContact CB-CD1 3.3Å; A91-F108 HydrophobicContact CB-CE1 3.41Å; A91-F108 VanDerWaalsContact CB-CE1 3.41Å; A91-F108 HydrophobicContact CB-CG 4.39Å; A91-F108 VanDerWaalsContact O-CE1 3.23Å; A91-F108 WeakPolarHBondContact O-CE1 3.45Å
92Q57.9Low67.2Low172 Ų17270 Ų7080%0.80437%0.369SS*.  trans-84.2114.6178.5-78.2-175.6-2400110.5F108 G109Q92-F108 VanDerWaalsContact C-CD1 3.48Å; Q92-F108 WeakPolarHBondContact O-CD1 3.39Å; Q92-G109 PolarHBondContact O-N 3.24Å
93F57Low65.2Low73 Ų7371 Ų7132%0.3238%0.379SS..EExtended strand (participates in β ladder)trans-69.9124.9168.1-175.2-111.1000109.7D33 A91 A95 F108D33-F93 VanDerWaalsContact O-CD2 3.31Å; D33-F93 WeakPolarHBondContact O-CD2 3.48Å; D33-F93 WeakPolarHBondContact O-CE2 3.38Å; A91-F93 PolarHBondContact O-N 3Å; F93-A95 HydrophobicContact CD1-CB 4.17Å; F93-A95 HydrophobicContact CE1-CB 3.61Å; F93-A95 HydrophobicContact CZ-CB 4.32Å; F93-F108 HydrophobicContact CB-CE1 4.25Å; F93-F108 HydrophobicContact CB-CZ 4.28Å; F93-F108 HydrophobicContact CD2-CD2 4.09Å; F93-F108 AromaticContact CD2-CE2 3.99Å; F93-F108 HydrophobicContact CD2-CE2 3.99Å; F93-F108 HydrophobicContact CD2-CZ 4.47Å
94D55.6Low63.2Low62 Ų6272.3 Ų72.333%0.33239%0.385SS..EExtended strand (participates in β ladder)trans-117.488.7174.3-170.6-5.1000110.1S96 H97 G107D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CA 3.42Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.14Å; D94-S96 PolarHBondContact OD1-N 3.37Å; D94-S96 PolarHBondContact OD1-OG 3.14Å; D94-S96 PolarHBondContact OD2-OG 3.14Å; D94-H97 PolarHBondContact O-N 3.22Å; D94-H97 VanDerWaalsContact O-N 3.12Å; D94-G107 PolarHBondContact N-O 2.78Å
95A51.7Low60.9Low48 Ų4876.8 Ų76.840%0.39740%0.404SS..EExtended strand (participates in β ladder)trans-59-14.8175.400000113.7F93F93-A95 HydrophobicContact CD1-CB 4.17Å; F93-A95 HydrophobicContact CE1-CB 3.61Å; F93-A95 HydrophobicContact CZ-CB 4.32Å
96S47.4Very low58.7Low98 Ų9875.5 Ų75.569%0.68540%0.403SS*.EExtended strand (participates in β ladder)trans-86.2-12.1-179.980.10000113.5D94 Y98D94-S96 PolarHBondContact O-N 3.38Å; D94-S96 WeakPolarHBondContact OD1-CA 3.42Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.14Å; D94-S96 PolarHBondContact OD1-N 3.37Å; D94-S96 PolarHBondContact OD1-OG 3.14Å; D94-S96 PolarHBondContact OD2-OG 3.14Å; S96-Y98 PolarHBondContact O-N 2.59Å
97H49.2Very low56.8Low103 Ų10376.7 Ų76.748%0.47742%0.415SS..EExtended strand (participates in β ladder)trans-81108.1-178.2-157-62.1000110.8D94 G106D94-H97 PolarHBondContact O-N 3.22Å; D94-H97 VanDerWaalsContact O-N 3.12Å; H97-G106 PolarHBondContact O-N 3.1Å
98Y51.4Low55Low105 Ų10577.4 Ų77.441%0.41242%0.416SS..EExtended strand (participates in β ladder)trans-86.2113.6166.3-179.7-111.9000108.8S96 S100 G103 E104 F105S96-Y98 PolarHBondContact O-N 2.59Å; Y98-S100 PolarHBondContact O-N 3.11Å; Y98-S100 VanDerWaalsContact O-N 3.16Å; Y98-G103 VanDerWaalsContact CE2-C 3.46Å; Y98-G103 WeakPolarHBondContact OH-CA 3.49Å; Y98-E104 CarbonylContact C-O 3.45Å; Y98-E104 WeakPolarHBondContact CA-O 3.4Å; Y98-E104 WeakPolarHBondContact CD2-O 3.27Å; Y98-F105 AromaticContact CD2-CD1 3.46Å; Y98-F105 HydrophobicContact CD2-CD1 3.46Å; Y98-F105 VanDerWaalsContact CD2-CD1 3.46Å; Y98-F105 AromaticContact CD2-CD2 3.72Å; Y98-F105 HydrophobicContact CD2-CD2 3.72Å; Y98-F105 AromaticContact CD2-CE1 3.37Å; Y98-F105 HydrophobicContact CD2-CE1 3.37Å; Y98-F105 AromaticContact CD2-CE2 3.64Å; Y98-F105 HydrophobicContact CD2-CE2 3.64Å; Y98-F105 AromaticContact CD2-CG 3.62Å; Y98-F105 HydrophobicContact CD2-CG 3.62Å; Y98-F105 AromaticContact CD2-CZ 3.45Å; Y98-F105 HydrophobicContact CD2-CZ 3.45Å; Y98-F105 VanDerWaalsContact CD2-CZ 3.45Å; Y98-F105 HydrophobicContact CE2-CD1 4.32Å; Y98-F105 AromaticContact CE2-CD2 3.83Å; Y98-F105 HydrophobicContact CE2-CD2 3.83Å; Y98-F105 HydrophobicContact CE2-CE1 4.04Å; Y98-F105 AromaticContact CE2-CE2 3.5Å; Y98-F105 HydrophobicContact CE2-CE2 3.5Å; Y98-F105 VanDerWaalsContact CE2-CE2 3.5Å; Y98-F105 HydrophobicContact CE2-CG 4.21Å; Y98-F105 AromaticContact CE2-CZ 3.61Å; Y98-F105 HydrophobicContact CE2-CZ 3.61Å; Y98-F105 HydrophobicContact CG-CD1 4.1Å; Y98-F105 AromaticContact CG-CE1 3.86Å; Y98-F105 HydrophobicContact CG-CE1 3.86Å; Y98-F105 HydrophobicContact CG-CZ 4.21Å
99D56Low52.9Low43 Ų4378.6 Ų78.623%0.2343%0.433CS..EExtended strand (participates in β ladder)trans-72.7104.2167.6-173.7-29.3000107.8E101 K102 G103 E104D99-E101 VanDerWaalsContact C-N 3.3Å; D99-E101 PolarHBondContact O-N 2.66Å; D99-E101 WeakPolarHBondContact OD1-CA 3.33Å; D99-E101 WeakPolarHBondContact OD1-CB 3.16Å; D99-E101 PolarHBondContact OD1-N 3.31Å; D99-K102 HydrophobicContact CB-CB 4.31Å; D99-K102 PolarHBondContact OD1-N 2.92Å; D99-G103 CarbonylContact O-C 3.59Å; D99-G103 WeakPolarHBondContact O-CA 3.39Å; D99-G103 PolarHBondContact O-N 3.41Å; D99-E104 PolarHBondContact N-O 3.08Å; D99-E104 PolarHBondContact O-N 3.23Å; D99-E104 VanDerWaalsContact O-N 3.15Å
100S41.5Very low51.4Low98 Ų9876.6 Ų76.669%0.68543%0.43SS*.THydrogen-bonded Turntrans-74.1-17.5-178.958.40000113.9Y98Y98-S100 PolarHBondContact O-N 3.11Å; Y98-S100 VanDerWaalsContact O-N 3.16Å
101E47.8Very low50.4Low188 Ų18872 Ų7288%0.87941%0.407SS*.THydrogen-bonded Turntrans-80.4-37.4175.7-65.9-169.7164.700110.9D99D99-E101 VanDerWaalsContact C-N 3.3Å; D99-E101 PolarHBondContact O-N 2.66Å; D99-E101 WeakPolarHBondContact OD1-CA 3.33Å; D99-E101 WeakPolarHBondContact OD1-CB 3.16Å; D99-E101 PolarHBondContact OD1-N 3.31Å
102K55.5Low50.1Low92 Ų9275 Ų7540%0.443%0.427SS..THydrogen-bonded Turntrans-94.6-13.1176.5-65.2-173.1172.9-168.50114.3K25 D99 E104K25-K102 PolarHBondContact NZ-O 3.38Å; D99-K102 HydrophobicContact CB-CB 4.31Å; D99-K102 PolarHBondContact OD1-N 2.92Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 HydrophobicContact CB-CB 4.41Å; K102-E104 HydrophobicContact CB-CG 4.15Å; K102-E104 PolarHBondContact O-N 3.22Å
103G54.9Low50.4Low20 Ų2067.6 Ų67.621%0.20640%0.397CS..THydrogen-bonded Turntrans64.232.8-176.700000113.4K25 Y98 D99K25-G103 WeakPolarHBondContact CE-O 3.35Å; K25-G103 PolarHBondContact NZ-O 3.45Å; Y98-G103 VanDerWaalsContact CE2-C 3.46Å; Y98-G103 WeakPolarHBondContact OH-CA 3.49Å; D99-G103 CarbonylContact O-C 3.59Å; D99-G103 WeakPolarHBondContact O-CA 3.39Å; D99-G103 PolarHBondContact O-N 3.41Å
104E55.4Low51.6Low35 Ų3569.2 Ų69.216%0.16440%0.404CS..EExtended strand (participates in β ladder)trans-110.5141.2-173.6-73.9163.2-165.900111Y98 D99 K102Y98-E104 CarbonylContact C-O 3.45Å; Y98-E104 WeakPolarHBondContact CA-O 3.4Å; Y98-E104 WeakPolarHBondContact CD2-O 3.27Å; D99-E104 PolarHBondContact N-O 3.08Å; D99-E104 PolarHBondContact O-N 3.23Å; D99-E104 VanDerWaalsContact O-N 3.15Å; K102-E104 VanDerWaalsContact C-N 3.31Å; K102-E104 HydrophobicContact CB-CB 4.41Å; K102-E104 HydrophobicContact CB-CG 4.15Å; K102-E104 PolarHBondContact O-N 3.22Å
105F47.8Very low53.2Low93 Ų9367.2 Ų67.241%0.40839%0.393SS..EExtended strand (participates in β ladder)trans-104.8131.8172.2-67.6-86.9000109.4T28 P29 Y98T28-F105 PolarHBondContact OG1-O 2.64Å; P29-F105 HydrophobicContact CG-CB 3.33Å; P29-F105 HydrophobicContact CG-CG 4.25Å; Y98-F105 AromaticContact CD2-CD1 3.46Å; Y98-F105 HydrophobicContact CD2-CD1 3.46Å; Y98-F105 VanDerWaalsContact CD2-CD1 3.46Å; Y98-F105 AromaticContact CD2-CD2 3.72Å; Y98-F105 HydrophobicContact CD2-CD2 3.72Å; Y98-F105 AromaticContact CD2-CE1 3.37Å; Y98-F105 HydrophobicContact CD2-CE1 3.37Å; Y98-F105 AromaticContact CD2-CE2 3.64Å; Y98-F105 HydrophobicContact CD2-CE2 3.64Å; Y98-F105 AromaticContact CD2-CG 3.62Å; Y98-F105 HydrophobicContact CD2-CG 3.62Å; Y98-F105 AromaticContact CD2-CZ 3.45Å; Y98-F105 HydrophobicContact CD2-CZ 3.45Å; Y98-F105 VanDerWaalsContact CD2-CZ 3.45Å; Y98-F105 HydrophobicContact CE2-CD1 4.32Å; Y98-F105 AromaticContact CE2-CD2 3.83Å; Y98-F105 HydrophobicContact CE2-CD2 3.83Å; Y98-F105 HydrophobicContact CE2-CE1 4.04Å; Y98-F105 AromaticContact CE2-CE2 3.5Å; Y98-F105 HydrophobicContact CE2-CE2 3.5Å; Y98-F105 VanDerWaalsContact CE2-CE2 3.5Å; Y98-F105 HydrophobicContact CE2-CG 4.21Å; Y98-F105 AromaticContact CE2-CZ 3.61Å; Y98-F105 HydrophobicContact CE2-CZ 3.61Å; Y98-F105 HydrophobicContact CG-CD1 4.1Å; Y98-F105 AromaticContact CG-CE1 3.86Å; Y98-F105 HydrophobicContact CG-CE1 3.86Å; Y98-F105 HydrophobicContact CG-CZ 4.21Å
106G48.7Very low55.2Low16 Ų1669.1 Ų69.117%0.16539%0.393CS..EExtended strand (participates in β ladder)trans93.8119.3177.500000112.4H97H97-G106 PolarHBondContact O-N 3.1Å
107G49.3Very low57.5Low26 Ų2667.9 Ų67.927%0.26838%0.378SS..EExtended strand (participates in β ladder)trans-175.4159.6176.700000110D94 G109D94-G107 PolarHBondContact N-O 2.78Å; G107-G109 PolarHBondContact O-N 2.94Å
108F46.8Very low59.7Low39 Ų3966.6 Ų66.617%0.17137%0.373CS..EExtended strand (participates in β ladder)trans-67127.6173.6-79.2-101.3000109.5P87 A91 Q92 F93 S110 V111P87-F108 HydrophobicContact CB-CB 4.39Å; P87-F108 HydrophobicContact CB-CD1 3.74Å; P87-F108 HydrophobicContact CB-CD2 3.56Å; P87-F108 HydrophobicContact CB-CE1 3.74Å; P87-F108 HydrophobicContact CB-CE2 3.58Å; P87-F108 HydrophobicContact CB-CG 3.62Å; P87-F108 HydrophobicContact CB-CZ 3.66Å; P87-F108 HydrophobicContact CG-CB 4.12Å; P87-F108 HydrophobicContact CG-CD1 4.27Å; P87-F108 HydrophobicContact CG-CD2 3.25Å; P87-F108 HydrophobicContact CG-CE2 3.58Å; P87-F108 HydrophobicContact CG-CG 3.61Å; P87-F108 HydrophobicContact CG-CZ 4.21Å; A91-F108 VanDerWaalsContact C-CE1 3.48Å; A91-F108 HydrophobicContact CB-CD1 3.3Å; A91-F108 HydrophobicContact CB-CE1 3.41Å; A91-F108 VanDerWaalsContact CB-CE1 3.41Å; A91-F108 HydrophobicContact CB-CG 4.39Å; A91-F108 VanDerWaalsContact O-CE1 3.23Å; A91-F108 WeakPolarHBondContact O-CE1 3.45Å; Q92-F108 VanDerWaalsContact C-CD1 3.48Å; Q92-F108 WeakPolarHBondContact O-CD1 3.39Å; F93-F108 HydrophobicContact CB-CE1 4.25Å; F93-F108 HydrophobicContact CB-CZ 4.28Å; F93-F108 HydrophobicContact CD2-CD2 4.09Å; F93-F108 AromaticContact CD2-CE2 3.99Å; F93-F108 HydrophobicContact CD2-CE2 3.99Å; F93-F108 HydrophobicContact CD2-CZ 4.47Å; F108-S110 PolarHBondContact O-N 3.44Å; F108-V111 PolarHBondContact O-N 2.87Å
109G38.2Very low62Low45 Ų4562.7 Ų62.746%0.46436%0.359SS..THydrogen-bonded Turntrans-65.224.9-164.600000117.8Q92 G107Q92-G109 PolarHBondContact O-N 3.24Å; G107-G109 PolarHBondContact O-N 2.94Å
110S38Very low64Low106 Ų10662.8 Ų62.874%0.74136%0.357SS*.THydrogen-bonded Turntrans-158-12.1170.2-172.10000114.9F108F108-S110 PolarHBondContact O-N 3.44Å
111V45.7Very low66.7Low34 Ų3458.5 Ų58.521%0.20633%0.326CS..  trans-135.797.9-172.6-172.20000108.2F108 G113F108-V111 PolarHBondContact O-N 2.87Å; V111-G113 PolarHBondContact O-N 2.8Å; V111-G113 VanDerWaalsContact O-N 3.08Å
112S57.2Low69.1Low80 Ų8049.9 Ų49.956%0.55929%0.286SS*.  trans-59.9115157.349.20000106.3K114S112-K114 PolarHBondContact O-N 2.98Å; S112-K114 VanDerWaalsContact O-N 3.15Å
113G63.5Low71.1Confident16 Ų1645.6 Ų45.617%0.16527%0.268CS..  trans-50126.3179.400000109.4M36 Q85 V111M36-G113 VanDerWaalsContact CE-CA 3.46Å; M36-G113 WeakPolarHBondContact CE-O 3.45Å; Q85-G113 WeakPolarHBondContact O-CA 3.47Å; V111-G113 PolarHBondContact O-N 2.8Å; V111-G113 VanDerWaalsContact O-N 3.08Å
114K82.7Confident73.1Confident106 Ų10648 Ų4846%0.46127%0.273SS..  trans-95.5130.1-174.5-161-179.1-168.1-173.80109.5V84 Q85 S112 E116V84-K114 WeakPolarHBondContact CA-O 3.48Å; Q85-K114 HydrophobicContact CG-CB 4.29Å; Q85-K114 PolarHBondContact N-O 3.03Å; S112-K114 PolarHBondContact O-N 2.98Å; S112-K114 VanDerWaalsContact O-N 3.15Å; K114-E116 HydrophobicContact CD-CG 4.02Å; K114-E116 WeakPolarHBondContact CD-OE1 3.28Å; K114-E116 WeakPolarHBondContact CE-OE1 3.49Å; K114-E116 HydrophobicContact CG-CG 4.08Å; K114-E116 IonicContact NZ-OE1 3.64Å; K114-E116 PolarHBondContact NZ-OE1 3.43Å
115I88.9Confident75.1Confident20 Ų2047.7 Ų47.710%0.10328%0.28CS..EExtended strand (participates in β ladder)trans-109.1123.3171.8-66.7156.3000107.7M36 H38 S83 V84 M399M36-I115 HydrophobicContact CE-CD1 3.91Å; M36-I115 HydrophobicContact CE-CG1 3.93Å; H38-I115 HydrophobicContact CB-CD1 3.51Å; S83-I115 VanDerWaalsContact O-CA 3.3Å; S83-I115 WeakPolarHBondContact O-CA 3.4Å; V84-I115 HydrophobicContact CG1-CG1 4.08Å; V84-I115 HydrophobicContact CG2-CG1 4.21Å; I115-M399 HydrophobicContact CB-CE 4.41Å; I115-M399 HydrophobicContact CD1-CE 3.51Å; I115-M399 HydrophobicContact CG1-CE 4.05Å; I115-M399 HydrophobicContact CG2-CE 3.61Å
116E93.6Very high77.5Confident88 Ų8845.4 Ų45.441%0.41127%0.27SS..EExtended strand (participates in β ladder)trans-130.8139.4177.5-64.4-171.5163.400111.2A82 S83 K114 E118A82-E116 CarbonylContact C-O 3.55Å; A82-E116 VanDerWaalsContact CA-O 3.26Å; A82-E116 WeakPolarHBondContact CA-O 3.3Å; S83-E116 PolarHBondContact N-O 2.98Å; S83-E116 PolarHBondContact O-N 3.47Å; S83-E116 PolarHBondContact OG-O 3.08Å; K114-E116 HydrophobicContact CD-CG 4.02Å; K114-E116 WeakPolarHBondContact CD-OE1 3.28Å; K114-E116 WeakPolarHBondContact CE-OE1 3.49Å; K114-E116 HydrophobicContact CG-CG 4.08Å; K114-E116 IonicContact NZ-OE1 3.64Å; K114-E116 PolarHBondContact NZ-OE1 3.43Å; E116-E118 PolarHBondContact O-N 2.96Å
117I95.3Very high79.9Confident72 Ų7244.6 Ų44.637%0.36926%0.262SS..EExtended strand (participates in β ladder)trans-80.3116.6172.5-53.4-51000109.5V80 A82 K120V80-I117 HydrophobicContact CG1-CD1 3.78Å; V80-I117 HydrophobicContact CG1-CG1 4.46Å; V80-I117 HydrophobicContact CG1-CG2 3.64Å; A82-I117 HydrophobicContact CB-CD1 3.84Å; I117-K120 HydrophobicContact CG2-CD 4.33Å; I117-K120 HydrophobicContact CG2-CG 3.68Å
118E96.2Very high82.3Confident77 Ų7743.5 Ų43.536%0.3625%0.25SS..EExtended strand (participates in β ladder)trans-89.3-45.4-179.3-63.9-168.3153.400112.2R65 I81 S83 E116 S159R65-E118 VanDerWaalsContact CD-OE2 3.25Å; R65-E118 WeakPolarHBondContact CD-OE2 3.46Å; I81-E118 PolarHBondContact O-N 3.26Å; S83-E118 WeakPolarHBondContact CB-OE1 3.5Å; E116-E118 PolarHBondContact O-N 2.96Å; E118-S159 WeakPolarHBondContact O-CB 3.35Å
119I98.1Very high84.8Confident23 Ų2342.6 Ų42.612%0.11825%0.246CC..EExtended strand (participates in β ladder)trans-135130.7-173.4-55.4175.7000108.8V80 I81 I121 Y154 S159V80-I119 WeakPolarHBondContact CA-O 3.01Å; I81-I119 HydrophobicContact CB-CB 4.13Å; I81-I119 HydrophobicContact CD1-CB 4.39Å; I81-I119 HydrophobicContact CD1-CD1 4.06Å; I81-I119 PolarHBondContact N-O 2.84Å; I81-I119 PolarHBondContact O-N 2.78Å; I119-I121 HydrophobicContact CG2-CD1 4.2Å; I119-I121 HydrophobicContact CG2-CG1 3.81Å; I119-Y154 HydrophobicContact CD1-CD2 3.6Å; I119-Y154 HydrophobicContact CD1-CE2 4.23Å; I119-Y154 HydrophobicContact CD1-CG 4.41Å; I119-S159 WeakPolarHBondContact CA-O 3.46Å
120K98.1Very high87.6Confident45 Ų4540.5 Ų40.520%0.19622%0.224CC..EExtended strand (participates in β ladder)trans-122.3123.6166.4-74.7-172.8174.9-172.20108.9E41 H78 V80 I117 S159 P161E41-K120 IonicContact OE2-NZ 3.43Å; E41-K120 PolarHBondContact OE2-NZ 3.49Å; H78-K120 HydrophobicContact CB-CB 4.41Å; V80-K120 HydrophobicContact CG2-CG 4.31Å; I117-K120 HydrophobicContact CG2-CD 4.33Å; I117-K120 HydrophobicContact CG2-CG 3.68Å; K120-S159 PolarHBondContact N-O 2.74Å; K120-S159 VanDerWaalsContact N-O 3.08Å; K120-P161 HydrophobicContact CB-CG 4.07Å
121I98.6Very high90.5Very high7 Ų736.7 Ų36.74%0.03619%0.193CC..EExtended strand (participates in β ladder)trans-113.9128.9177.1-53.9175.9000107.9H78 L79 I119 H123 F152 H157H78-I121 CarbonylContact C-O 3.45Å; H78-I121 WeakPolarHBondContact CA-O 3.31Å; L79-I121 HydrophobicContact CB-CB 4.4Å; L79-I121 HydrophobicContact CD2-CD1 4.42Å; L79-I121 PolarHBondContact N-O 3.39Å; L79-I121 PolarHBondContact O-N 3.17Å; I119-I121 HydrophobicContact CG2-CD1 4.2Å; I119-I121 HydrophobicContact CG2-CG1 3.81Å; I121-H123 PolarHBondContact O-N 3.41Å; I121-F152 HydrophobicContact CG2-CD1 3.88Å; I121-F152 HydrophobicContact CG2-CE1 3.91Å; I121-H157 HydrophobicContact CD1-CB 3.78Å; I121-H157 HydrophobicContact CG1-CB 3.92Å
122N98.5Very high93.1Very high8 Ų836.1 Ų36.14%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-56134.4175.3-70-22.6000110.4P161 D162 G165 E166 C167N122-P161 VanDerWaalsContact OD1-CB 3.25Å; N122-P161 WeakPolarHBondContact OD1-CB 3.21Å; N122-D162 PolarHBondContact ND2-O 3.25Å; N122-G165 VanDerWaalsContact ND2-C 3.34Å; N122-G165 WeakPolarHBondContact ND2-CA 3.46Å; N122-E166 WeakPolarHBondContact CB-O 3.45Å; N122-E166 PolarHBondContact ND2-O 3.48Å; N122-C167 PolarHBondContact O-SG 3.38Å; N122-C167 VanDerWaalsContact O-SG 3.32Å
123H98.6Very high95.1Very high2 Ų233 Ų331%0.00917%0.165CC..  trans-124.9149-179.2-168.1-96.6000111.3Q76 N77 I121 G125 E126 V127 T142 F152Q76-H123 PolarHBondContact NE2-O 2.88Å; N77-H123 PolarHBondContact O-N 3.48Å; I121-H123 PolarHBondContact O-N 3.41Å; H123-G125 PolarHBondContact ND1-O 2.93Å; H123-G125 PolarHBondContact O-N 3.49Å; H123-E126 PolarHBondContact CE1-O 3.2Å; H123-V127 HydrophobicContact CB-CG2 4.22Å; H123-T142 WeakPolarHBondContact NE2-CB 3.19Å; H123-T142 PolarHBondContact NE2-OG1 3.4Å; H123-F152 AromaticContact CD2-CE2 3.79Å; H123-F152 AromaticContact CD2-CZ 3.92Å
124E96.9Very high96.7Very high70 Ų7035.1 Ų35.133%0.32718%0.176SC..SBendtrans-82.999.1175.6-84.4163.7-150.100109.7L150 C167 R172E124-L150 HydrophobicContact CB-CD1 4.42Å; E124-C167 HydrophobicContact CB-CB 4.46Å; E124-C167 HydrophobicContact CG-CB 3.61Å; E124-R172 IonicContact OE1-CZ 3.67Å; E124-R172 IonicContact OE1-NH2 3.01Å; E124-R172 PolarHBondContact OE1-NH2 2.82Å; E124-R172 IonicContact OE2-CZ 3.56Å; E124-R172 VanDerWaalsContact OE2-CZ 3.29Å; E124-R172 IonicContact OE2-NH1 3.9Å; E124-R172 PolarHBondContact OE2-NH1 3.17Å; E124-R172 IonicContact OE2-NH2 2.75Å; E124-R172 PolarHBondContact OE2-NH2 3.19Å
125G97.4Very high97.5Very high29 Ų2933.5 Ų33.530%0.29917%0.17SC..SBendtrans73.8-177-173.400000112.6N77 H123N77-G125 VanDerWaalsContact CB-C 3.5Å; N77-G125 WeakPolarHBondContact CB-O 3.26Å; H123-G125 PolarHBondContact ND1-O 2.93Å; H123-G125 PolarHBondContact O-N 3.49Å
126E98.3Very high97.9Very high44 Ų4435.5 Ų35.521%0.20618%0.181CC..  trans-62.7157.8177.262.5-82.1-172.800112.6L45 T70 H71 N77 H123 N128 P145L45-E126 HydrophobicContact CD1-CG 4.24Å; T70-E126 WeakPolarHBondContact O-CA 3.3Å; T70-E126 WeakPolarHBondContact O-CB 3.18Å; H71-E126 HydrophobicContact CB-CB 4.17Å; N77-E126 PolarHBondContact ND2-N 2.9Å; H123-E126 PolarHBondContact CE1-O 3.2Å; E126-N128 WeakPolarHBondContact CG-OD1 3.47Å; E126-P145 HydrophobicContact CG-CG 3.76Å; E126-P145 WeakPolarHBondContact O-CD 3.47Å; E126-P145 WeakPolarHBondContact OE1-CB 3.5Å; E126-P145 WeakPolarHBondContact OE1-CG 3.45Å; E126-P145 VanDerWaalsContact OE2-CG 3.28Å; E126-P145 WeakPolarHBondContact OE2-CG 3.36Å
127V98.8Very high98.1Very high0 Ų032.8 Ų32.80%017%0.171CC..  trans-98.390.2-178.8-176.10000108.8T46 T70 H123 R129 A130 T142T46-V127 HydrophobicContact CG2-CG1 3.98Å; T70-V127 PolarHBondContact O-N 2.74Å; H123-V127 HydrophobicContact CB-CG2 4.22Å; V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 3.18Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; V127-T142 HydrophobicContact CG1-CG2 4.05Å
128N98.8Very high98.3Very high2 Ų230.9 Ų30.91%0.01116%0.163CC..SBendtrans-58.8-39-177.5-687000112.3E126 K143 E179 G180 Y181E126-N128 WeakPolarHBondContact CG-OD1 3.47Å; N128-K143 HydrophobicContact CB-CB 3.84Å; N128-K143 PolarHBondContact N-O 3.11Å; N128-E179 PolarHBondContact ND2-OE2 2.83Å; N128-G180 PolarHBondContact ND2-O 2.61Å; N128-Y181 HydrophobicContact CB-CD1 3.81Å; N128-Y181 HydrophobicContact CB-CE1 3.81Å
129R98.9Very high98.4Very high21 Ų2128.1 Ų28.18%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-156.8138174-166.6163.9-67.7168.22.5110.4V127 R131 T142 K143 Y181 L183 D232V127-R129 VanDerWaalsContact C-N 3.27Å; V127-R129 PolarHBondContact O-N 3.18Å; R129-R131 HydrophobicContact CG-CG 4.2Å; R129-T142 CarbonylContact O-C 3.48Å; R129-T142 VanDerWaalsContact O-CA 3.25Å; R129-T142 WeakPolarHBondContact O-CA 3.15Å; R129-K143 HydrophobicContact CB-CB 4.38Å; R129-K143 HydrophobicContact CB-CG 4.23Å; R129-K143 PolarHBondContact O-N 3.35Å; R129-Y181 WeakPolarHBondContact CB-O 3.39Å; R129-Y181 WeakPolarHBondContact CD-O 3.33Å; R129-Y181 PolarHBondContact NE-O 3.41Å; R129-Y181 PolarHBondContact NH1-O 3.23Å; R129-L183 HydrophobicContact CG-CB 4.32Å; R129-D232 IonicContact NH1-OD1 3.91Å; R129-D232 PolarHBondContact NH1-OD1 2.89Å
130A98.9Very high98.4Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-125.8129.7173.600000110.6T46 V67 L79 V127 I140 A141 T142T46-A130 HydrophobicContact CG2-CB 3.87Å; T46-A130 PolarHBondContact OG1-N 3.19Å; T46-A130 PolarHBondContact OG1-O 3Å; V67-A130 HydrophobicContact CG1-CB 3.61Å; L79-A130 HydrophobicContact CD1-CB 3.94Å; V127-A130 HydrophobicContact CG1-CB 3.86Å; A130-I140 HydrophobicContact CB-CG2 4.12Å; A130-A141 WeakPolarHBondContact CA-O 3.34Å; A130-T142 HydrophobicContact CB-CG2 3.96Å
131R98.9Very high98.4Very high26 Ų2624.9 Ų24.910%0.09814%0.136CC..EExtended strand (participates in β ladder)trans-137.5130.3-179.3-62.6-66179.8-100.310.1111.6T46 R129 I140 A141 L183 W185 D379T46-R131 PolarHBondContact OG1-NH1 3.37Å; R129-R131 HydrophobicContact CG-CG 4.2Å; R131-I140 WeakPolarHBondContact O-CA 3.01Å; R131-A141 PolarHBondContact N-O 2.77Å; R131-A141 PolarHBondContact O-N 3.15Å; R131-L183 HydrophobicContact CB-CD2 4.11Å; R131-L183 HydrophobicContact CG-CB 4.45Å; R131-L183 HydrophobicContact CG-CD2 4.16Å; R131-W185 PolarHBondContact O-NE1 2.95Å; R131-D379 IonicContact CZ-OD2 3.74Å; R131-D379 IonicContact NH1-OD2 2.74Å; R131-D379 PolarHBondContact NH1-OD2 3.4Å; R131-D379 VanDerWaalsContact NH1-OD2 3.12Å; R131-D379 IonicContact NH2-OD1 2.86Å; R131-D379 PolarHBondContact NH2-OD1 2.91Å; R131-D379 IonicContact NH2-OD2 3.21Å; R131-D379 PolarHBondContact NH2-OD2 2.81Å
132H98.8Very high98.5Very high23 Ų2324.6 Ų24.611%0.10614%0.135CC..EExtended strand (participates in β ladder)trans-76.9147.9174.676.6-93.3000111.3Q48 W49 L50 P134 I139 I140 W185Q48-H132 VanDerWaalsContact CD-ND1 3.31Å; Q48-H132 PolarHBondContact OE1-ND1 3.02Å; W49-H132 PolarHBondContact O-CE1 2.75Å; L50-H132 HydrophobicContact CD2-CB 3.87Å; H132-P134 WeakPolarHBondContact O-CD 3.33Å; H132-I139 CarbonylContact C-O 3.59Å; H132-I139 WeakPolarHBondContact CA-O 3.36Å; H132-I140 HydrophobicContact CB-CG1 4.28Å; H132-W185 VanDerWaalsContact C-CD1 3.47Å
133M98.7Very high98.5Very high13 Ų1324.3 Ų24.36%0.06413%0.133CC..EExtended strand (participates in β ladder)trans-77.3121.7173.1-176.4173.46700109.7Q135 N136 I139 W185 G191M133-Q135 VanDerWaalsContact C-N 3.27Å; M133-Q135 PolarHBondContact O-N 3.39Å; M133-Q135 VanDerWaalsContact O-N 3.15Å; M133-N136 HydrophobicContact CE-CB 3.58Å; M133-N136 CarbonylContact O-C 3.5Å; M133-N136 PolarHBondContact O-N 3.37Å; M133-N136 VanDerWaalsContact O-O 3.12Å; M133-I139 HydrophobicContact CB-CB 4.13Å; M133-I139 HydrophobicContact CB-CG2 4.48Å; M133-I139 HydrophobicContact CE-CB 4.1Å; M133-I139 HydrophobicContact CE-CG1 3.91Å; M133-I139 PolarHBondContact N-O 2.86Å; M133-W185 HydrophobicContact CB-CD2 3.8Å; M133-W185 HydrophobicContact CB-CE3 4.16Å; M133-W185 HydrophobicContact CB-CG 4.17Å; M133-W185 HydrophobicContact CB-CZ2 4.17Å; M133-W185 HydrophobicContact CG-CD2 3.93Å; M133-W185 HydrophobicContact CG-CE3 3.83Å; M133-W185 HydrophobicContact CG-CG 4.38Å; M133-W185 HydrophobicContact CG-CZ3 4.25Å; M133-W185 HydrophobicContact SD-CE3 4Å; M133-W185 HydrophobicContact SD-CH2 4.32Å; M133-W185 HydrophobicContact SD-CZ3 3.86Å; M133-G191 PolarHBondContact SD-N 3Å; M133-G191 VanDerWaalsContact SD-N 3.39Å
134P98.3Very high98.5Very high61 Ų6124.2 Ų24.240%0.39613%0.133SC..THydrogen-bonded Turntrans-57.5-35.4-174-28.635.7000114.4H132 N136 W185 P187H132-P134 WeakPolarHBondContact O-CD 3.33Å; P134-N136 VanDerWaalsContact C-N 3.35Å; P134-W185 HydrophobicContact CG-CB 4.41Å; P134-P187 HydrophobicContact CG-CB 4.47Å
135Q98.3Very high98.5Very high72 Ų7222.7 Ų22.734%0.33613%0.129SC..THydrogen-bonded Turntrans-78.8-18.3-178.2-52.487-7.400113.4M133 N186 P187M133-Q135 VanDerWaalsContact C-N 3.27Å; M133-Q135 PolarHBondContact O-N 3.39Å; M133-Q135 VanDerWaalsContact O-N 3.15Å; Q135-N186 PolarHBondContact NE2-O 2.63Å; Q135-P187 PolarHBondContact NE2-O 3.32Å
136N98Very high98.5Very high62 Ų6224.3 Ų24.333%0.33213%0.133SC..EExtended strand (participates in β ladder)trans-151.792.2171.2-179.56.3000109.2M133 P134 C138 I139M133-N136 HydrophobicContact CE-CB 3.58Å; M133-N136 CarbonylContact O-C 3.5Å; M133-N136 PolarHBondContact O-N 3.37Å; M133-N136 VanDerWaalsContact O-O 3.12Å; P134-N136 VanDerWaalsContact C-N 3.35Å; N136-C138 PolarHBondContact O-N 3.18Å; N136-C138 VanDerWaalsContact OD1-CB 3.31Å; N136-C138 WeakPolarHBondContact OD1-CB 3.35Å; N136-C138 PolarHBondContact OD1-N 3.48Å; N136-I139 HydrophobicContact CB-CG1 4.31Å; N136-I139 PolarHBondContact O-N 3.06Å
137P98.3Very high98.5Very high31 Ų3124 Ų2420%0.20114%0.136CC..EExtended strand (participates in β ladder)trans-63-8.7-175.8-24.734.8000114.9L50 P51 I139 Y154L50-P137 HydrophobicContact CD2-CB 4.2Å; P51-P137 HydrophobicContact CG-CB 3.95Å; P51-P137 HydrophobicContact CG-CG 3.48Å; P51-P137 VanDerWaalsContact CG-CG 3.48Å; P137-I139 PolarHBondContact O-N 3.07Å; P137-Y154 WeakPolarHBondContact O-CE1 3.43Å
138C98.3Very high98.5Very high32 Ų3224.9 Ų24.922%0.21614%0.141CC..EExtended strand (participates in β ladder)trans-66.2-26.2171.1-59.60000112.8N136 D153 Y154 T155N136-C138 PolarHBondContact O-N 3.18Å; N136-C138 VanDerWaalsContact OD1-CB 3.31Å; N136-C138 WeakPolarHBondContact OD1-CB 3.35Å; N136-C138 PolarHBondContact OD1-N 3.48Å; C138-D153 WeakPolarHBondContact O-CA 3.41Å; C138-Y154 HydrophobicContact CB-CE1 4.28Å; C138-Y154 WeakPolarHBondContact O-CD1 3.39Å; C138-Y154 PolarHBondContact O-N 2.84Å; C138-T155 HydrophobicContact CB-CG2 3.96Å
139I98.5Very high98.5Very high20 Ų2024.8 Ų24.810%0.10314%0.14CC..EExtended strand (participates in β ladder)trans-90.9120.2-178.2-52.3-55.4000109.1H132 M133 N136 P137 V151 F152 D153 W185 I207H132-I139 CarbonylContact C-O 3.59Å; H132-I139 WeakPolarHBondContact CA-O 3.36Å; M133-I139 HydrophobicContact CB-CB 4.13Å; M133-I139 HydrophobicContact CB-CG2 4.48Å; M133-I139 HydrophobicContact CE-CB 4.1Å; M133-I139 HydrophobicContact CE-CG1 3.91Å; M133-I139 PolarHBondContact N-O 2.86Å; N136-I139 HydrophobicContact CB-CG1 4.31Å; N136-I139 PolarHBondContact O-N 3.06Å; P137-I139 PolarHBondContact O-N 3.07Å; I139-V151 HydrophobicContact CG2-CG1 3.42Å; I139-V151 VanDerWaalsContact CG2-CG1 3.42Å; I139-F152 CarbonylContact C-O 2.98Å; I139-F152 WeakPolarHBondContact CA-O 3.21Å; I139-D153 HydrophobicContact CD1-CB 3.61Å; I139-W185 HydrophobicContact CG2-CH2 4.41Å; I139-W185 HydrophobicContact CG2-CZ2 4.23Å; I139-I207 HydrophobicContact CG2-CD1 4.43Å
140I98.9Very high98.5Very high0 Ų023.8 Ų23.80%014%0.136CC..EExtended strand (participates in β ladder)trans-121125.3179.3-60.9171.5000108.3V67 L79 I81 A130 R131 H132 T142 V151 F152 Y154V67-I140 HydrophobicContact CG1-CD1 4.01Å; V67-I140 HydrophobicContact CG1-CG2 4.08Å; V67-I140 HydrophobicContact CG2-CD1 3.75Å; V67-I140 HydrophobicContact CG2-CG1 4.45Å; L79-I140 HydrophobicContact CD1-CG2 4.16Å; L79-I140 HydrophobicContact CD2-CB 4.31Å; L79-I140 HydrophobicContact CD2-CD1 4.47Å; L79-I140 HydrophobicContact CD2-CG2 4.06Å; I81-I140 HydrophobicContact CD1-CD1 4.14Å; I81-I140 HydrophobicContact CG1-CD1 4.41Å; A130-I140 HydrophobicContact CB-CG2 4.12Å; R131-I140 WeakPolarHBondContact O-CA 3.01Å; H132-I140 HydrophobicContact CB-CG1 4.28Å; I140-T142 HydrophobicContact CG2-CG2 4.2Å; I140-V151 CarbonylContact O-C 3.49Å; I140-V151 WeakPolarHBondContact O-CA 3.4Å; I140-F152 PolarHBondContact N-O 2.93Å; I140-F152 PolarHBondContact O-N 3.37Å; I140-Y154 HydrophobicContact CD1-CD1 3.78Å; I140-Y154 HydrophobicContact CD1-CE1 4.38Å; I140-Y154 HydrophobicContact CG1-CD1 4.37Å
141A98.9Very high98.4Very high0 Ų024 Ų240%014%0.138CC..EExtended strand (participates in β ladder)trans-92.8144167.400000110A130 R131 L150 V151 L183 W185 L193A130-A141 WeakPolarHBondContact CA-O 3.34Å; R131-A141 PolarHBondContact N-O 2.77Å; R131-A141 PolarHBondContact O-N 3.15Å; A141-L150 CarbonylContact C-O 3.54Å; A141-L150 VanDerWaalsContact CA-O 3.25Å; A141-L150 WeakPolarHBondContact CA-O 3.43Å; A141-V151 HydrophobicContact CB-CG2 4.36Å; A141-L183 HydrophobicContact CB-CD1 4.46Å; A141-L183 HydrophobicContact CB-CD2 3.99Å; A141-L183 WeakPolarHBondContact O-CD2 3.34Å; A141-W185 HydrophobicContact CB-CZ2 3.57Å; A141-L193 HydrophobicContact CB-CD1 4.33Å; A141-L193 HydrophobicContact CB-CD2 3.62Å
142T98.9Very high98.4Very high0 Ų022.8 Ų22.80%013%0.133CC..EExtended strand (participates in β ladder)trans-129.7143.2177.364.10000112.1L79 H123 V127 R129 A130 I140 V149 L150 F152L79-T142 HydrophobicContact CD1-CG2 3.98Å; L79-T142 HydrophobicContact CD2-CG2 4.11Å; H123-T142 WeakPolarHBondContact NE2-CB 3.19Å; H123-T142 PolarHBondContact NE2-OG1 3.4Å; V127-T142 HydrophobicContact CG1-CG2 4.05Å; R129-T142 CarbonylContact O-C 3.48Å; R129-T142 VanDerWaalsContact O-CA 3.25Å; R129-T142 WeakPolarHBondContact O-CA 3.15Å; A130-T142 HydrophobicContact CB-CG2 3.96Å; I140-T142 HydrophobicContact CG2-CG2 4.2Å; T142-V149 WeakPolarHBondContact O-CG1 3.44Å; T142-L150 PolarHBondContact N-O 2.95Å; T142-L150 PolarHBondContact O-N 2.89Å; T142-F152 HydrophobicContact CG2-CD2 4.24Å; T142-F152 HydrophobicContact CG2-CE2 4.28Å
143K98.9Very high98.4Very high2 Ų222.3 Ų22.31%0.00913%0.131CC..EExtended strand (participates in β ladder)trans-87.5139.9166.4-68-71.1-70.2179.60109.4N128 R129 V149 G180 L183 S195 A196N128-K143 HydrophobicContact CB-CB 3.84Å; N128-K143 PolarHBondContact N-O 3.11Å; R129-K143 HydrophobicContact CB-CB 4.38Å; R129-K143 HydrophobicContact CB-CG 4.23Å; R129-K143 PolarHBondContact O-N 3.35Å; K143-V149 HydrophobicContact CD-CG2 3.99Å; K143-G180 WeakPolarHBondContact CB-O 3.35Å; K143-G180 WeakPolarHBondContact CE-O 3.32Å; K143-L183 HydrophobicContact CD-CD1 4.08Å; K143-L183 HydrophobicContact CG-CB 4.19Å; K143-L183 HydrophobicContact CG-CD1 4.19Å; K143-L183 HydrophobicContact CG-CD2 4.3Å; K143-L183 HydrophobicContact CG-CG 4.47Å; K143-S195 PolarHBondContact NZ-OG 3.05Å; K143-A196 WeakPolarHBondContact CE-O 3.44Å; K143-A196 PolarHBondContact NZ-O 2.89Å
144T98.6Very high98.3Very high1 Ų122.4 Ų22.41%0.00613%0.131CC..  trans-113.9168179.773.70000110.1T146 D148 L150 E179T144-T146 PolarHBondContact O-N 2.9Å; T144-T146 PolarHBondContact OG1-N 3.14Å; T144-T146 VanDerWaalsContact OG1-N 3.15Å; T144-T146 PolarHBondContact OG1-O 2.82Å; T144-T146 PolarHBondContact OG1-OG1 3Å; T144-D148 WeakPolarHBondContact CG2-O 3.47Å; T144-D148 PolarHBondContact OG1-O 3.1Å; T144-L150 HydrophobicContact CG2-CD1 3.76Å; T144-L150 HydrophobicContact CG2-CG 3.67Å; T144-E179 WeakPolarHBondContact O-CB 3.38Å
145P97.8Very high98.2Very high37 Ų3723.7 Ų23.724%0.2414%0.138CC..SBendtrans-73.410.5171.8-14.433000112.7E126E126-P145 HydrophobicContact CG-CG 3.76Å; E126-P145 WeakPolarHBondContact O-CD 3.47Å; E126-P145 WeakPolarHBondContact OE1-CB 3.5Å; E126-P145 WeakPolarHBondContact OE1-CG 3.45Å; E126-P145 VanDerWaalsContact OE2-CG 3.28Å; E126-P145 WeakPolarHBondContact OE2-CG 3.36Å
146T97.4Very high98.2Very high63 Ų6326.7 Ų26.739%0.38715%0.15SC..SBendtrans-122.9-177.4178.9770000110.1T144 D148 E179T144-T146 PolarHBondContact O-N 2.9Å; T144-T146 PolarHBondContact OG1-N 3.14Å; T144-T146 VanDerWaalsContact OG1-N 3.15Å; T144-T146 PolarHBondContact OG1-O 2.82Å; T144-T146 PolarHBondContact OG1-OG1 3Å; T146-D148 PolarHBondContact O-N 2.84Å; T146-D148 PolarHBondContact OG1-N 2.99Å; T146-E179 WeakPolarHBondContact O-CA 3.37Å
147S97.8Very high98.1Very high39 Ų3925.1 Ų25.127%0.27314%0.14SC..SBendtrans-67.4-18176.755.70000115.2H176 K178S147-H176 VanDerWaalsContact CB-O 3.26Å; S147-H176 WeakPolarHBondContact CB-O 3.47Å; S147-K178 WeakPolarHBondContact CA-O 3.43Å
148D98.2Very high98Very high18 Ų1827.9 Ų27.910%0.09616%0.158CC..PPolyproline II helixtrans-84139.1-171.7-71.6-6.6000111.1T144 T146 L150 R172 R174T144-D148 WeakPolarHBondContact CG2-O 3.47Å; T144-D148 PolarHBondContact OG1-O 3.1Å; T146-D148 PolarHBondContact O-N 2.84Å; T146-D148 PolarHBondContact OG1-N 2.99Å; D148-L150 HydrophobicContact CB-CD2 4.24Å; D148-R172 HydrophobicContact CB-CG 4.18Å; D148-R172 WeakPolarHBondContact OD2-CD 3.42Å; D148-R172 WeakPolarHBondContact OD2-CG 3.47Å; D148-R172 IonicContact OD2-CZ 3.53Å; D148-R172 IonicContact OD2-NE 3.16Å; D148-R172 IonicContact OD2-NH1 3.51Å; D148-R172 PolarHBondContact OD2-NH1 3.28Å; D148-R174 IonicContact OD1-NE 2.83Å
149V98.8Very high97.9Very high0 Ų029.8 Ų29.80%017%0.172CC..EExtended strand (participates in β ladder)trans-102.4128.1166-179.60000107.4T142 K143 L173 L183 L193 W205T142-V149 WeakPolarHBondContact O-CG1 3.44Å; K143-V149 HydrophobicContact CD-CG2 3.99Å; V149-L173 HydrophobicContact CB-CB 4.13Å; V149-L173 HydrophobicContact CB-CD1 4.42Å; V149-L173 HydrophobicContact CG1-CD1 4.17Å; V149-L173 PolarHBondContact N-O 2.83Å; V149-L173 VanDerWaalsContact N-O 3.07Å; V149-L173 WeakPolarHBondContact O-CB 3.45Å; V149-L173 PolarHBondContact O-N 2.91Å; V149-L183 HydrophobicContact CG1-CD1 4.07Å; V149-L193 HydrophobicContact CG1-CD2 4.16Å; V149-W205 HydrophobicContact CB-CH2 4.44Å; V149-W205 HydrophobicContact CG2-CH2 3.83Å; V149-W205 HydrophobicContact CG2-CZ3 4.32Å
150L98.7Very high97.8Very high0 Ų036.8 Ų36.80%020%0.202CC..EExtended strand (participates in β ladder)trans-103.7149.4-176.6-54.7-175.2000110.2E124 A141 T142 T144 D148 F152 P169 R172E124-L150 HydrophobicContact CB-CD1 4.42Å; A141-L150 CarbonylContact C-O 3.54Å; A141-L150 VanDerWaalsContact CA-O 3.25Å; A141-L150 WeakPolarHBondContact CA-O 3.43Å; T142-L150 PolarHBondContact N-O 2.95Å; T142-L150 PolarHBondContact O-N 2.89Å; T144-L150 HydrophobicContact CG2-CD1 3.76Å; T144-L150 HydrophobicContact CG2-CG 3.67Å; D148-L150 HydrophobicContact CB-CD2 4.24Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.56Å; L150-F152 HydrophobicContact CB-CZ 4.04Å; L150-F152 HydrophobicContact CD1-CE2 4.21Å; L150-F152 HydrophobicContact CD1-CZ 3.99Å; L150-P169 HydrophobicContact CB-CB 4.08Å; L150-P169 HydrophobicContact CD1-CB 4.42Å; L150-P169 HydrophobicContact CD1-CG 4.43Å; L150-P169 HydrophobicContact CD2-CB 4.21Å; L150-P169 HydrophobicContact CD2-CG 4Å; L150-P169 HydrophobicContact CG-CB 4.46Å; L150-R172 HydrophobicContact CD2-CB 4.25Å; L150-R172 HydrophobicContact CD2-CG 4Å
151V98.5Very high97.6Very high4 Ų438.9 Ų38.92%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-126.7131.1174.3-1750000108.8I139 I140 A141 D170 L171 L173 I207I139-V151 HydrophobicContact CG2-CG1 3.42Å; I139-V151 VanDerWaalsContact CG2-CG1 3.42Å; I140-V151 CarbonylContact O-C 3.49Å; I140-V151 WeakPolarHBondContact O-CA 3.4Å; A141-V151 HydrophobicContact CB-CG2 4.36Å; V151-D170 WeakPolarHBondContact O-CB 3.32Å; V151-D170 PolarHBondContact O-N 2.91Å; V151-L171 HydrophobicContact CB-CB 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.3Å; V151-L171 PolarHBondContact N-O 2.95Å; V151-L171 PolarHBondContact O-N 3.08Å; V151-L171 VanDerWaalsContact O-N 3.13Å; V151-L173 HydrophobicContact CG2-CD1 3.72Å; V151-L173 HydrophobicContact CG2-CD2 4.25Å; V151-L173 HydrophobicContact CG2-CG 3.94Å; V151-I207 HydrophobicContact CG1-CD1 4.43Å
152F98.3Very high97.3Very high0 Ų043.3 Ų43.30%024%0.239CC..EExtended strand (participates in β ladder)trans-121.7138.8180-61.7-90.2000110L79 I121 H123 I139 I140 T142 L150 H157 P169 D170L79-F152 HydrophobicContact CD2-CB 4.05Å; L79-F152 HydrophobicContact CD2-CD2 3.84Å; L79-F152 HydrophobicContact CD2-CG 4.02Å; I121-F152 HydrophobicContact CG2-CD1 3.88Å; I121-F152 HydrophobicContact CG2-CE1 3.91Å; H123-F152 AromaticContact CD2-CE2 3.79Å; H123-F152 AromaticContact CD2-CZ 3.92Å; I139-F152 CarbonylContact C-O 2.98Å; I139-F152 WeakPolarHBondContact CA-O 3.21Å; I140-F152 PolarHBondContact N-O 2.93Å; I140-F152 PolarHBondContact O-N 3.37Å; T142-F152 HydrophobicContact CG2-CD2 4.24Å; T142-F152 HydrophobicContact CG2-CE2 4.28Å; L150-F152 HydrophobicContact CB-CD2 4.38Å; L150-F152 HydrophobicContact CB-CE2 3.56Å; L150-F152 HydrophobicContact CB-CZ 4.04Å; L150-F152 HydrophobicContact CD1-CE2 4.21Å; L150-F152 HydrophobicContact CD1-CZ 3.99Å; F152-H157 AromaticContact CD1-NE2 3.98Å; F152-P169 HydrophobicContact CD1-CB 4.48Å; F152-P169 HydrophobicContact CE1-CB 3.93Å; F152-P169 HydrophobicContact CZ-CB 3.96Å; F152-D170 WeakPolarHBondContact CA-OD2 3.4Å
153D97.6Very high97.1Very high14 Ų1449.8 Ų49.88%0.07528%0.281CS..EExtended strand (participates in β ladder)trans-102.497.2160.8-177.1-20.3000107.6C138 I139 T155 K156 H157 D170C138-D153 WeakPolarHBondContact O-CA 3.41Å; I139-D153 HydrophobicContact CD1-CB 3.61Å; D153-T155 PolarHBondContact O-N 2.86Å; D153-T155 WeakPolarHBondContact OD1-CB 3.45Å; D153-T155 PolarHBondContact OD1-N 2.89Å; D153-T155 PolarHBondContact OD1-OG1 2.66Å; D153-K156 HydrophobicContact CB-CD 4.04Å; D153-K156 HydrophobicContact CB-CG 4.14Å; D153-K156 PolarHBondContact O-N 3.21Å; D153-K156 WeakPolarHBondContact OD2-CE 3.3Å; D153-K156 IonicContact OD2-NZ 2.94Å; D153-K156 PolarHBondContact OD2-NZ 2.89Å; D153-H157 PolarHBondContact O-CD2 2.91Å; D153-H157 VanDerWaalsContact O-CD2 3.28Å; D153-D170 PolarHBondContact N-OD2 2.96Å
154Y97.6Very high96.9Very high15 Ų1553.3 Ų53.36%0.05931%0.306CS..G310 helixtrans-60.9-19-169.769-108.1000113.4L50 R65 I81 I119 P137 C138 I140 K156 H157L50-Y154 HydrophobicContact CD1-CE1 4.39Å; R65-Y154 PolarHBondContact NH1-OH 3.35Å; R65-Y154 VanDerWaalsContact NH1-OH 3.15Å; R65-Y154 PolarHBondContact NH2-OH 2.86Å; I81-Y154 VanDerWaalsContact CD1-CB 3.46Å; I81-Y154 HydrophobicContact CD1-CD1 3.33Å; I81-Y154 HydrophobicContact CD1-CD2 3.61Å; I81-Y154 HydrophobicContact CD1-CE1 3.84Å; I81-Y154 HydrophobicContact CD1-CE2 4.17Å; I81-Y154 HydrophobicContact CD1-CG 3.18Å; I119-Y154 HydrophobicContact CD1-CD2 3.6Å; I119-Y154 HydrophobicContact CD1-CE2 4.23Å; I119-Y154 HydrophobicContact CD1-CG 4.41Å; P137-Y154 WeakPolarHBondContact O-CE1 3.43Å; C138-Y154 HydrophobicContact CB-CE1 4.28Å; C138-Y154 WeakPolarHBondContact O-CD1 3.39Å; C138-Y154 PolarHBondContact O-N 2.84Å; I140-Y154 HydrophobicContact CD1-CD1 3.78Å; I140-Y154 HydrophobicContact CD1-CE1 4.38Å; I140-Y154 HydrophobicContact CG1-CD1 4.37Å; Y154-K156 VanDerWaalsContact C-N 3.26Å; Y154-K156 PolarHBondContact O-N 2.86Å; Y154-H157 PolarHBondContact O-N 3.28Å
155T97.1Very high96.7Very high87 Ų8754.2 Ų54.253%0.53432%0.316SS..G310 helixtrans-73.5-17.8177.472.30000113.3C138 D153C138-T155 HydrophobicContact CB-CG2 3.96Å; D153-T155 PolarHBondContact O-N 2.86Å; D153-T155 WeakPolarHBondContact OD1-CB 3.45Å; D153-T155 PolarHBondContact OD1-N 2.89Å; D153-T155 PolarHBondContact OD1-OG1 2.66Å
156K96.3Very high96.6Very high135 Ų13558.7 Ų58.759%0.58733%0.333SS*.G310 helixtrans-92.3-4.6176.7-61.9-176.1-165.61290113.3D153 Y154 D170D153-K156 HydrophobicContact CB-CD 4.04Å; D153-K156 HydrophobicContact CB-CG 4.14Å; D153-K156 PolarHBondContact O-N 3.21Å; D153-K156 WeakPolarHBondContact OD2-CE 3.3Å; D153-K156 IonicContact OD2-NZ 2.94Å; D153-K156 PolarHBondContact OD2-NZ 2.89Å; Y154-K156 VanDerWaalsContact C-N 3.26Å; Y154-K156 PolarHBondContact O-N 2.86Å; K156-D170 IonicContact NZ-OD1 2.8Å
157H96Very high96.5Very high30 Ų3056.4 Ų56.414%0.13932%0.32CS..SBendtrans-104.1146.6178.4-69.4-84.8000110.6I121 F152 D153 Y154 T168 D170I121-H157 HydrophobicContact CD1-CB 3.78Å; I121-H157 HydrophobicContact CG1-CB 3.92Å; F152-H157 AromaticContact CD1-NE2 3.98Å; D153-H157 PolarHBondContact O-CD2 2.91Å; D153-H157 VanDerWaalsContact O-CD2 3.28Å; Y154-H157 PolarHBondContact O-N 3.28Å; H157-T168 PolarHBondContact CE1-O 2.84Å; H157-D170 IonicContact CD2-OD2 3.72Å; H157-D170 IonicContact NE2-OD2 3.85Å; H157-D170 PolarHBondContact NE2-OD2 3.43Å
158P96.6Very high96.5Very high89 Ų8957.6 Ų57.658%0.57833%0.325SS*.  trans-63.8151170.928.8-34.1000110.7K160P158-K160 WeakPolarHBondContact CG-O 3.33Å; P158-K160 PolarHBondContact O-N 3.32Å
159S95.9Very high96.4Very high72 Ų7257.3 Ų57.350%0.50332%0.324SS..SBendtrans-64.8-27.5177.152.90000113.4E118 I119 K120E118-S159 WeakPolarHBondContact O-CB 3.35Å; I119-S159 WeakPolarHBondContact CA-O 3.46Å; K120-S159 PolarHBondContact N-O 2.74Å; K120-S159 VanDerWaalsContact N-O 3.08Å
160K96.6Very high96.2Very high167 Ų16759.2 Ų59.273%0.72633%0.334SS*.SBendtrans-102.5136174.5-65.8-175179-1760110P158P158-K160 WeakPolarHBondContact CG-O 3.33Å; P158-K160 PolarHBondContact O-N 3.32Å
161P95.3Very high96.2Very high44 Ų4460.7 Ų60.729%0.28634%0.342SS..PPolyproline II helixtrans-70154.6-176.826.7-30.3000111.2K120 N122K120-P161 HydrophobicContact CB-CG 4.07Å; N122-P161 VanDerWaalsContact OD1-CB 3.25Å; N122-P161 WeakPolarHBondContact OD1-CB 3.21Å
162D92.7Very high96.1Very high92 Ų9262.3 Ų62.349%0.49235%0.348SS..PPolyproline II helixtrans-68.8126174.8-168.6-53.3000109.9N122 S164 G165N122-D162 PolarHBondContact ND2-O 3.25Å; D162-S164 PolarHBondContact O-N 3.09Å; D162-S164 VanDerWaalsContact OD1-CB 3.22Å; D162-S164 WeakPolarHBondContact OD1-CB 3.41Å; D162-S164 PolarHBondContact OD1-N 3.11Å; D162-S164 PolarHBondContact OD1-OG 3.35Å; D162-G165 PolarHBondContact O-N 3.32Å
163P94.4Very high96.1Very high136 Ų13662.3 Ų62.388%0.88335%0.348SS*.THydrogen-bonded Turntrans-60-15.6179.5-24.333.9000115.4G165P163-G165 PolarHBondContact O-N 2.99Å
164S94.9Very high96.1Very high77 Ų7767.1 Ų67.154%0.53837%0.365SS..THydrogen-bonded Turntrans-68.2-19.117461.40000113.6D162 E166D162-S164 PolarHBondContact O-N 3.09Å; D162-S164 VanDerWaalsContact OD1-CB 3.22Å; D162-S164 WeakPolarHBondContact OD1-CB 3.41Å; D162-S164 PolarHBondContact OD1-N 3.11Å; D162-S164 PolarHBondContact OD1-OG 3.35Å; S164-E166 PolarHBondContact O-N 2.83Å; S164-E166 PolarHBondContact OG-N 3.08Å
165G93.8Very high96.2Very high20 Ų2067.8 Ų67.821%0.20638%0.376CS..  trans75.52.9-172.800000114Q76 N122 D162 P163 C167Q76-G165 PolarHBondContact OE1-O 3.15Å; Q76-G165 VanDerWaalsContact OE1-O 3.05Å; N122-G165 VanDerWaalsContact ND2-C 3.34Å; N122-G165 WeakPolarHBondContact ND2-CA 3.46Å; D162-G165 PolarHBondContact O-N 3.32Å; P163-G165 PolarHBondContact O-N 2.99Å; G165-C167 PolarHBondContact O-N 3.31Å
166E95.6Very high96.2Very high131 Ų13164.2 Ų64.261%0.61235%0.354SS*.  trans-66.5126-178.9-167.9177.1176.600111N122 S164 T168N122-E166 WeakPolarHBondContact CB-O 3.45Å; N122-E166 PolarHBondContact ND2-O 3.48Å; S164-E166 PolarHBondContact O-N 2.83Å; S164-E166 PolarHBondContact OG-N 3.08Å; E166-T168 HydrophobicContact CG-CG2 4.15Å
167C96.8Very high96.3Very high15 Ų1565.9 Ų65.910%0.10136%0.363CS..  trans-86.7126173.3-178.30000109.6N122 E124 G165 P169N122-C167 PolarHBondContact O-SG 3.38Å; N122-C167 VanDerWaalsContact O-SG 3.32Å; E124-C167 HydrophobicContact CB-CB 4.46Å; E124-C167 HydrophobicContact CG-CB 3.61Å; G165-C167 PolarHBondContact O-N 3.31Å; C167-P169 WeakPolarHBondContact O-CD 3.22Å
168T95.8Very high96.5Very high63 Ų6369.5 Ų69.539%0.38738%0.379SS..  trans-12666.7-174.951.70000112.1H157 E166H157-T168 PolarHBondContact CE1-O 2.84Å; E166-T168 HydrophobicContact CG-CG2 4.15Å
169P96.7Very high96.6Very high12 Ų1268 Ų688%0.07836%0.364CS..  trans-60.3149.6-177.829.4-36.7000111.8L150 F152 C167L150-P169 HydrophobicContact CB-CB 4.08Å; L150-P169 HydrophobicContact CD1-CB 4.42Å; L150-P169 HydrophobicContact CD1-CG 4.43Å; L150-P169 HydrophobicContact CD2-CB 4.21Å; L150-P169 HydrophobicContact CD2-CG 4Å; L150-P169 HydrophobicContact CG-CB 4.46Å; F152-P169 HydrophobicContact CD1-CB 4.48Å; F152-P169 HydrophobicContact CE1-CB 3.93Å; F152-P169 HydrophobicContact CZ-CB 3.96Å; C167-P169 WeakPolarHBondContact O-CD 3.22Å
170D95.8Very high96.7Very high40 Ų4064.5 Ų64.521%0.21434%0.34CS..SBendtrans-70.7-40.9175.2-70.7-93.1000110.6V151 F152 D153 K156 H157V151-D170 WeakPolarHBondContact O-CB 3.32Å; V151-D170 PolarHBondContact O-N 2.91Å; F152-D170 WeakPolarHBondContact CA-OD2 3.4Å; D153-D170 PolarHBondContact N-OD2 2.96Å; K156-D170 IonicContact NZ-OD1 2.8Å; H157-D170 IonicContact CD2-OD2 3.72Å; H157-D170 IonicContact NE2-OD2 3.85Å; H157-D170 PolarHBondContact NE2-OD2 3.43Å
171L97.1Very high96.8Very high31 Ų3160.6 Ų60.616%0.16232%0.321CS..EExtended strand (participates in β ladder)trans-134.6147.9168.9-55168.7000111.2V151 L173 I207 K215 V217V151-L171 HydrophobicContact CB-CB 4.02Å; V151-L171 HydrophobicContact CG2-CB 4.3Å; V151-L171 PolarHBondContact N-O 2.95Å; V151-L171 PolarHBondContact O-N 3.08Å; V151-L171 VanDerWaalsContact O-N 3.13Å; L171-L173 HydrophobicContact CB-CD2 4.08Å; L171-I207 HydrophobicContact CD1-CB 3.82Å; L171-I207 HydrophobicContact CD1-CD1 4.13Å; L171-I207 HydrophobicContact CD1-CG2 3.88Å; L171-K215 CarbonylContact C-O 3.59Å; L171-K215 WeakPolarHBondContact CA-O 3.36Å; L171-V217 HydrophobicContact CD2-CG2 4.25Å
172R97.5Very high96.9Very high39 Ų3958.5 Ų58.515%0.14731%0.308CS..EExtended strand (participates in β ladder)trans-118.4113.1171.5-179.5177.4-69.2-89.1-1.1108.1E124 D148 L150 K215 V216 V217E124-R172 IonicContact OE1-CZ 3.67Å; E124-R172 IonicContact OE1-NH2 3.01Å; E124-R172 PolarHBondContact OE1-NH2 2.82Å; E124-R172 IonicContact OE2-CZ 3.56Å; E124-R172 VanDerWaalsContact OE2-CZ 3.29Å; E124-R172 IonicContact OE2-NH1 3.9Å; E124-R172 PolarHBondContact OE2-NH1 3.17Å; E124-R172 IonicContact OE2-NH2 2.75Å; E124-R172 PolarHBondContact OE2-NH2 3.19Å; D148-R172 HydrophobicContact CB-CG 4.18Å; D148-R172 WeakPolarHBondContact OD2-CD 3.42Å; D148-R172 WeakPolarHBondContact OD2-CG 3.47Å; D148-R172 IonicContact OD2-CZ 3.53Å; D148-R172 IonicContact OD2-NE 3.16Å; D148-R172 IonicContact OD2-NH1 3.51Å; D148-R172 PolarHBondContact OD2-NH1 3.28Å; L150-R172 HydrophobicContact CD2-CB 4.25Å; L150-R172 HydrophobicContact CD2-CG 4Å; R172-K215 PolarHBondContact N-O 3.38Å; R172-V216 HydrophobicContact CB-CG2 4.43Å; R172-V216 CarbonylContact O-C 3.46Å; R172-V216 VanDerWaalsContact O-CA 3.27Å; R172-V216 WeakPolarHBondContact O-CA 3.34Å; R172-V217 PolarHBondContact O-N 2.86Å
173L98.3Very high97.2Very high0 Ų054.5 Ų54.50%029%0.286CS..EExtended strand (participates in β ladder)trans-97.3125.7-176.8-43.1-179.2000109V149 V151 L171 L193 W205 I207 V217V149-L173 HydrophobicContact CB-CB 4.13Å; V149-L173 HydrophobicContact CB-CD1 4.42Å; V149-L173 HydrophobicContact CG1-CD1 4.17Å; V149-L173 PolarHBondContact N-O 2.83Å; V149-L173 VanDerWaalsContact N-O 3.07Å; V149-L173 WeakPolarHBondContact O-CB 3.45Å; V149-L173 PolarHBondContact O-N 2.91Å; V151-L173 HydrophobicContact CG2-CD1 3.72Å; V151-L173 HydrophobicContact CG2-CD2 4.25Å; V151-L173 HydrophobicContact CG2-CG 3.94Å; L171-L173 HydrophobicContact CB-CD2 4.08Å; L173-L193 HydrophobicContact CD1-CD2 3.66Å; L173-W205 HydrophobicContact CB-CD2 3.92Å; L173-W205 HydrophobicContact CB-CG 4.07Å; L173-W205 HydrophobicContact CB-CZ2 4.07Å; L173-W205 HydrophobicContact CD1-CB 4.27Å; L173-W205 HydrophobicContact CD1-CD2 4.02Å; L173-W205 HydrophobicContact CD1-CE3 4.19Å; L173-W205 HydrophobicContact CD1-CG 4.06Å; L173-W205 HydrophobicContact CG-CG 4.46Å; L173-I207 HydrophobicContact CD1-CG2 4.29Å; L173-I207 HydrophobicContact CD2-CG2 3.71Å; L173-V217 CarbonylContact C-O 3.52Å; L173-V217 VanDerWaalsContact CA-O 3.3Å; L173-V217 WeakPolarHBondContact CA-O 3.4Å; L173-V217 HydrophobicContact CD2-CB 3.71Å; L173-V217 HydrophobicContact CD2-CG1 4.48Å; L173-V217 HydrophobicContact CD2-CG2 3.91Å
174R97.8Very high97.5Very high114 Ų11448.8 Ų48.843%0.4325%0.25SC..EExtended strand (participates in β ladder)trans-114.8147.5-177.2-70.2-175173.1164.3-0.1111.2D148 W205 V216 V217 D218 A219D148-R174 IonicContact OD1-NE 2.83Å; R174-W205 PolarHBondContact O-NE1 3.45Å; R174-V216 HydrophobicContact CG-CG1 4.13Å; R174-V217 PolarHBondContact N-O 3Å; R174-D218 CarbonylContact O-C 3.59Å; R174-D218 WeakPolarHBondContact O-CA 3.37Å; R174-A219 PolarHBondContact O-N 3.01Å
175G98.2Very high97.6Very high29 Ų2945.8 Ų45.830%0.29923%0.226SC..  trans167.3-39.2177.400000112.6C203G175-C203 VanDerWaalsContact C-SG 3.58Å
176H98.8Very high97.9Very high12 Ų1244.8 Ų44.86%0.05622%0.216CC..  trans-75.6169.8176.3-67.2-62.9000112.9S147 S195 S197 D199 T201 C203 W205S147-H176 VanDerWaalsContact CB-O 3.26Å; S147-H176 WeakPolarHBondContact CB-O 3.47Å; H176-S195 PolarHBondContact CD2-OG 2.86Å; H176-S195 PolarHBondContact CE1-O 2.78Å; H176-S195 WeakPolarHBondContact NE2-CB 3.16Å; H176-S195 PolarHBondContact NE2-O 2.83Å; H176-S195 PolarHBondContact NE2-OG 3.39Å; H176-S197 VanDerWaalsContact CE1-CB 3.4Å; H176-S197 WeakPolarHBondContact CE1-CB 3.43Å; H176-S197 WeakPolarHBondContact ND1-CB 3.43Å; H176-D199 WeakPolarHBondContact CA-OD2 3.17Å; H176-D199 VanDerWaalsContact CB-OD2 3.29Å; H176-D199 WeakPolarHBondContact CB-OD2 3.47Å; H176-D199 IonicContact CG-OD2 2.91Å; H176-D199 IonicContact ND1-OD1 3.44Å; H176-D199 PolarHBondContact ND1-OD1 3.05Å; H176-D199 IonicContact ND1-OD2 3.26Å; H176-D199 PolarHBondContact ND1-OD2 3.49Å; H176-T201 PolarHBondContact CE1-O 2.93Å; H176-T201 PolarHBondContact ND1-OG1 2.92Å; H176-C203 VanDerWaalsContact CE1-SG 3.59Å; H176-W205 AromaticContact CD2-CH2 3.86Å; H176-W205 AromaticContact NE2-CH2 3.9Å
177Q98.5Very high98Very high170 Ų17040.5 Ų40.579%0.79420%0.2SC*.SBendtrans-119.5-13.1175.7-60.5-179.823.100112.9D199Q177-D199 HydrophobicContact CB-CB 4.12Å; Q177-D199 PolarHBondContact N-OD2 2.84Å
178K98.8Very high98.1Very high107 Ų10743.2 Ų43.247%0.46521%0.213SC..SBendtrans-139.4174.5178-67.7178.7178.9177.80110S147 S197 D198 D199S147-K178 WeakPolarHBondContact CA-O 3.43Å; K178-S197 PolarHBondContact O-OG 2.84Å; K178-D198 HydrophobicContact CB-CB 3.93Å; K178-D198 HydrophobicContact CD-CB 3.75Å; K178-D198 WeakPolarHBondContact CD-O 3.39Å; K178-D198 PolarHBondContact NZ-O 3.32Å; K178-D199 HydrophobicContact CB-CB 4.3Å; K178-D199 HydrophobicContact CD-CB 4.47Å; K178-D199 HydrophobicContact CG-CB 4.39Å
179E98.6Very high98.2Very high56 Ų5643.4 Ų43.426%0.26221%0.212SC..  trans-67.4-174.717370.3178.2126.400113N128 T144 T146 S197 D198N128-E179 PolarHBondContact ND2-OE2 2.83Å; T144-E179 WeakPolarHBondContact O-CB 3.38Å; T146-E179 WeakPolarHBondContact O-CA 3.37Å; E179-S197 VanDerWaalsContact O-CA 3.29Å; E179-S197 WeakPolarHBondContact O-CA 3.33Å; E179-S197 VanDerWaalsContact O-CB 3.29Å; E179-S197 WeakPolarHBondContact O-CB 3.35Å; E179-S197 PolarHBondContact O-OG 3.38Å; E179-D198 PolarHBondContact O-N 2.91Å; E179-D198 VanDerWaalsContact O-N 3.07Å
180G98.5Very high98.2Very high0 Ų045.7 Ų45.70%023%0.228CC..  trans174-175.4169.700000111.9N128 K143N128-G180 PolarHBondContact ND2-O 2.61Å; K143-G180 WeakPolarHBondContact CB-O 3.35Å; K143-G180 WeakPolarHBondContact CE-O 3.32Å
181Y98.7Very high98.3Very high85 Ų8543.9 Ų43.933%0.33322%0.219SC..  trans-119.4-42.9-174.6-65.6-91.4000113.3N128 R129 L183N128-Y181 HydrophobicContact CB-CD1 3.81Å; N128-Y181 HydrophobicContact CB-CE1 3.81Å; R129-Y181 WeakPolarHBondContact CB-O 3.39Å; R129-Y181 WeakPolarHBondContact CD-O 3.33Å; R129-Y181 PolarHBondContact NE-O 3.41Å; R129-Y181 PolarHBondContact NH1-O 3.23Å; Y181-L183 PolarHBondContact O-N 2.88Å
182G98.8Very high98.3Very high0 Ų042.8 Ų42.80%021%0.214CC..  trans-53.4129-17900000114.3S195 A196 E231 D232G182-S195 CarbonylContact O-C 3.52Å; G182-S195 VanDerWaalsContact O-CA 3.29Å; G182-S195 WeakPolarHBondContact O-CA 3.45Å; G182-A196 PolarHBondContact O-N 2.95Å; G182-E231 WeakPolarHBondContact CA-O 3.48Å; G182-E231 PolarHBondContact N-O 2.95Å; G182-D232 WeakPolarHBondContact CA-OD1 3.29Å
183L98.9Very high98.4Very high7 Ų741 Ų414%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-156.6121.5-177.4-16671.2000110.6R129 R131 A141 K143 V149 Y181 L193 L194R129-L183 HydrophobicContact CG-CB 4.32Å; R131-L183 HydrophobicContact CB-CD2 4.11Å; R131-L183 HydrophobicContact CG-CB 4.45Å; R131-L183 HydrophobicContact CG-CD2 4.16Å; A141-L183 HydrophobicContact CB-CD1 4.46Å; A141-L183 HydrophobicContact CB-CD2 3.99Å; A141-L183 WeakPolarHBondContact O-CD2 3.34Å; K143-L183 HydrophobicContact CD-CD1 4.08Å; K143-L183 HydrophobicContact CG-CB 4.19Å; K143-L183 HydrophobicContact CG-CD1 4.19Å; K143-L183 HydrophobicContact CG-CD2 4.3Å; K143-L183 HydrophobicContact CG-CG 4.47Å; V149-L183 HydrophobicContact CG1-CD1 4.07Å; Y181-L183 PolarHBondContact O-N 2.88Å; L183-L193 HydrophobicContact CD1-CD1 3.8Å; L183-L193 HydrophobicContact CD1-CD2 4.15Å; L183-L193 HydrophobicContact CD1-CG 4.19Å; L183-L193 HydrophobicContact CG-CD1 4.07Å; L183-L194 WeakPolarHBondContact CA-O 3.33Å
184S98.9Very high98.4Very high17 Ų1741 Ų4112%0.11921%0.207CC..EExtended strand (participates in β ladder)trans-146.9123-177.3-174.50000113.2L193 L194 V233 W235S184-L193 WeakPolarHBondContact O-CD1 3.23Å; S184-L194 PolarHBondContact N-O 2.95Å; S184-L194 PolarHBondContact O-N 3.38Å; S184-V233 VanDerWaalsContact CB-O 3.22Å; S184-V233 WeakPolarHBondContact CB-O 3.33Å; S184-W235 PolarHBondContact O-NE1 3.05Å; S184-W235 VanDerWaalsContact O-NE1 3.15Å; S184-W235 PolarHBondContact OG-N 2.92Å; S184-W235 VanDerWaalsContact OG-N 3.1Å
185W98.9Very high98.5Very high13 Ų1335.5 Ų35.55%0.04919%0.186CC..EExtended strand (participates in β ladder)trans-81.3137.8170.5-72.7103.9000110.7R131 H132 M133 P134 I139 A141 P187 L193 I207R131-W185 PolarHBondContact O-NE1 2.95Å; H132-W185 VanDerWaalsContact C-CD1 3.47Å; M133-W185 HydrophobicContact CB-CD2 3.8Å; M133-W185 HydrophobicContact CB-CE3 4.16Å; M133-W185 HydrophobicContact CB-CG 4.17Å; M133-W185 HydrophobicContact CB-CZ2 4.17Å; M133-W185 HydrophobicContact CG-CD2 3.93Å; M133-W185 HydrophobicContact CG-CE3 3.83Å; M133-W185 HydrophobicContact CG-CG 4.38Å; M133-W185 HydrophobicContact CG-CZ3 4.25Å; M133-W185 HydrophobicContact SD-CE3 4Å; M133-W185 HydrophobicContact SD-CH2 4.32Å; M133-W185 HydrophobicContact SD-CZ3 3.86Å; P134-W185 HydrophobicContact CG-CB 4.41Å; I139-W185 HydrophobicContact CG2-CH2 4.41Å; I139-W185 HydrophobicContact CG2-CZ2 4.23Å; A141-W185 HydrophobicContact CB-CZ2 3.57Å; W185-P187 WeakPolarHBondContact O-CD 3.44Å; W185-L193 HydrophobicContact CD2-CB 4.35Å; W185-L193 HydrophobicContact CD2-CD1 3.75Å; W185-L193 HydrophobicContact CE3-CB 3.86Å; W185-L193 HydrophobicContact CE3-CD1 4.14Å; W185-L193 HydrophobicContact CG-CD1 4Å; W185-L193 HydrophobicContact CH2-CB 4.18Å; W185-L193 HydrophobicContact CH2-CD2 4.13Å; W185-L193 HydrophobicContact CZ2-CD1 4.31Å; W185-L193 HydrophobicContact CZ2-CD2 4.13Å; W185-L193 HydrophobicContact CZ3-CB 3.75Å; W185-L193 HydrophobicContact CZ3-CG 4.5Å; W185-I207 HydrophobicContact CH2-CD1 3.59Å; W185-I207 HydrophobicContact CH2-CG1 4.16Å; W185-I207 HydrophobicContact CZ3-CD1 4.01Å; W185-I207 HydrophobicContact CZ3-CG1 4.13Å
186N98.8Very high98.5Very high0 Ų034.1 Ų34.10%017%0.172CC..  trans-73.4119.9173.4-167.7-47.7000109Q135 N188 L189 C192 W235 E240Q135-N186 PolarHBondContact NE2-O 2.63Å; N186-N188 VanDerWaalsContact C-N 3.26Å; N186-N188 PolarHBondContact O-N 3.41Å; N186-N188 WeakPolarHBondContact OD1-CA 3.44Å; N186-N188 WeakPolarHBondContact OD1-CB 3.41Å; N186-N188 PolarHBondContact OD1-N 2.96Å; N186-L189 HydrophobicContact CB-CB 4.26Å; N186-L189 PolarHBondContact OD1-N 2.88Å; N186-C192 HydrophobicContact CB-CB 3.81Å; N186-C192 PolarHBondContact N-O 3.35Å; N186-W235 VanDerWaalsContact CA-CD1 3.43Å; N186-W235 HydrophobicContact CB-CD2 3.82Å; N186-W235 HydrophobicContact CB-CE3 4.5Å; N186-W235 HydrophobicContact CB-CG 3.9Å; N186-W235 HydrophobicContact CB-CZ2 4.27Å; N186-W235 VanDerWaalsContact ND2-CD2 3.35Å; N186-W235 WeakPolarHBondContact ND2-CZ3 3.41Å; N186-E240 PolarHBondContact ND2-O 2.9Å
187P98.3Very high98.5Very high41 Ų4133.6 Ų33.627%0.26617%0.169SC..SBendtrans-73.1-19-179.928.6-33.5000113P134 Q135 W185 L237P134-P187 HydrophobicContact CG-CB 4.47Å; Q135-P187 PolarHBondContact NE2-O 3.32Å; W185-P187 WeakPolarHBondContact O-CD 3.44Å; P187-L237 HydrophobicContact CG-CD2 4.13Å
188N98.3Very high98.5Very high71 Ų7127.3 Ų27.338%0.3814%0.142SC..SBendtrans-97.4-25-177.4-60.8-64.5000113.1N186 L237 L238 E240N186-N188 VanDerWaalsContact C-N 3.26Å; N186-N188 PolarHBondContact O-N 3.41Å; N186-N188 WeakPolarHBondContact OD1-CA 3.44Å; N186-N188 WeakPolarHBondContact OD1-CB 3.41Å; N186-N188 PolarHBondContact OD1-N 2.96Å; N188-L237 PolarHBondContact ND2-O 2.97Å; N188-L238 PolarHBondContact ND2-O 3.05Å; N188-E240 HydrophobicContact CB-CB 3.71Å
189L97.8Very high98.5Very high67 Ų6723.4 Ų23.435%0.35113%0.125SC..SBendtrans-121.3104.2179.3-65.9174.6000111N186 G191 C192 E240N186-L189 HydrophobicContact CB-CB 4.26Å; N186-L189 PolarHBondContact OD1-N 2.88Å; L189-G191 PolarHBondContact O-N 2.79Å; L189-C192 HydrophobicContact CB-CB 4.03Å; L189-C192 WeakPolarHBondContact O-CB 3.33Å; L189-C192 PolarHBondContact O-N 2.86Å; L189-E240 HydrophobicContact CD1-CB 4.01Å; L189-E240 HydrophobicContact CD1-CG 4.27Å; L189-E240 WeakPolarHBondContact CD2-OE2 3.36Å; L189-E240 HydrophobicContact CG-CB 4Å
190S97.6Very high98.6Very high61 Ų6124.2 Ų24.243%0.42713%0.129SC..THydrogen-bonded Turntrans-57.2134.2-179.7-174.20000111.9C192S190-C192 PolarHBondContact O-N 3.15Å
191G97Very high98.6Very high2 Ų225.3 Ų25.32%0.02114%0.136CC..THydrogen-bonded Turntrans78.10.217800000114.9M133 L189 D206 I207M133-G191 PolarHBondContact SD-N 3Å; M133-G191 VanDerWaalsContact SD-N 3.39Å; L189-G191 PolarHBondContact O-N 2.79Å; G191-D206 WeakPolarHBondContact O-CA 3.45Å; G191-I207 VanDerWaalsContact CA-CG1 3.5Å; G191-I207 WeakPolarHBondContact O-CG1 3.5Å; G191-I207 PolarHBondContact O-N 2.84Å
192C98.4Very high98.6Very high8 Ų821.3 Ų21.35%0.05412%0.12CC..EExtended strand (participates in β ladder)trans-87.6119.3174.8-166.10000110.5N186 L189 S190 W205 W235N186-C192 HydrophobicContact CB-CB 3.81Å; N186-C192 PolarHBondContact N-O 3.35Å; L189-C192 HydrophobicContact CB-CB 4.03Å; L189-C192 WeakPolarHBondContact O-CB 3.33Å; L189-C192 PolarHBondContact O-N 2.86Å; S190-C192 PolarHBondContact O-N 3.15Å; C192-W205 WeakPolarHBondContact CA-O 3.5Å; C192-W235 WeakPolarHBondContact SG-CZ2 3.43Å
193L98.8Very high98.6Very high0 Ų021.3 Ų21.30%012%0.12CC..EExtended strand (participates in β ladder)trans-126.4135.3-174.7179.363.3000110.4A141 V149 L173 L183 S184 W185 M204 W205A141-L193 HydrophobicContact CB-CD1 4.33Å; A141-L193 HydrophobicContact CB-CD2 3.62Å; V149-L193 HydrophobicContact CG1-CD2 4.16Å; L173-L193 HydrophobicContact CD1-CD2 3.66Å; L183-L193 HydrophobicContact CD1-CD1 3.8Å; L183-L193 HydrophobicContact CD1-CD2 4.15Å; L183-L193 HydrophobicContact CD1-CG 4.19Å; L183-L193 HydrophobicContact CG-CD1 4.07Å; S184-L193 WeakPolarHBondContact O-CD1 3.23Å; W185-L193 HydrophobicContact CD2-CB 4.35Å; W185-L193 HydrophobicContact CD2-CD1 3.75Å; W185-L193 HydrophobicContact CE3-CB 3.86Å; W185-L193 HydrophobicContact CE3-CD1 4.14Å; W185-L193 HydrophobicContact CG-CD1 4Å; W185-L193 HydrophobicContact CH2-CB 4.18Å; W185-L193 HydrophobicContact CH2-CD2 4.13Å; W185-L193 HydrophobicContact CZ2-CD1 4.31Å; W185-L193 HydrophobicContact CZ2-CD2 4.13Å; W185-L193 HydrophobicContact CZ3-CB 3.75Å; W185-L193 HydrophobicContact CZ3-CG 4.5Å; L193-M204 VanDerWaalsContact O-CA 3.28Å; L193-M204 WeakPolarHBondContact O-CA 3.26Å; L193-W205 PolarHBondContact N-O 3.12Å; L193-W205 PolarHBondContact O-N 3.39Å
194L98.9Very high98.6Very high0 Ų021.5 Ų21.50%012%0.121CC..EExtended strand (participates in β ladder)trans-104.5147.1167.8-69.6169.3000110.8L183 S184 I202 C203 M204 F223 V233 W235 F243L183-L194 WeakPolarHBondContact CA-O 3.33Å; S184-L194 PolarHBondContact N-O 2.95Å; S184-L194 PolarHBondContact O-N 3.38Å; L194-I202 HydrophobicContact CD2-CG2 3.92Å; L194-C203 WeakPolarHBondContact CA-O 3.45Å; L194-M204 HydrophobicContact CD2-CB 3.77Å; L194-M204 HydrophobicContact CD2-CG 3.9Å; L194-M204 HydrophobicContact CD2-SD 4.4Å; L194-F223 HydrophobicContact CD2-CE2 4.45Å; L194-V233 HydrophobicContact CB-CB 4.33Å; L194-V233 HydrophobicContact CB-CG2 3.91Å; L194-W235 HydrophobicContact CD1-CD2 3.65Å; L194-W235 HydrophobicContact CD1-CE3 4.28Å; L194-W235 HydrophobicContact CD1-CG 4.01Å; L194-W235 HydrophobicContact CD1-CH2 4.19Å; L194-W235 HydrophobicContact CD1-CZ2 3.58Å; L194-W235 HydrophobicContact CD2-CH2 4.5Å; L194-W235 HydrophobicContact CD2-CZ2 3.91Å; L194-W235 HydrophobicContact CG-CD2 4.33Å; L194-W235 VanDerWaalsContact CG-CE2 3.42Å; L194-W235 HydrophobicContact CG-CH2 4.36Å; L194-W235 HydrophobicContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-CZ2 3.46Å; L194-F243 HydrophobicContact CD1-CB 3.55Å; L194-F243 HydrophobicContact CD1-CD1 3.96Å; L194-F243 HydrophobicContact CD1-CD2 3.59Å; L194-F243 HydrophobicContact CD1-CE2 4.2Å; L194-F243 HydrophobicContact CD1-CG 3.44Å; L194-F243 VanDerWaalsContact CD1-CG 3.44Å; L194-F243 HydrophobicContact CD2-CE1 4.42Å; L194-F243 HydrophobicContact CD2-CE2 4.38Å; L194-F243 HydrophobicContact CD2-CZ 4.3Å
195S98.9Very high98.6Very high0 Ų020.7 Ų20.70%012%0.115CC..EExtended strand (participates in β ladder)trans-138.2139.4171.9166.30000110.7K143 H176 G182 I202 C203 W205K143-S195 PolarHBondContact NZ-OG 3.05Å; H176-S195 PolarHBondContact CD2-OG 2.86Å; H176-S195 PolarHBondContact CE1-O 2.78Å; H176-S195 WeakPolarHBondContact NE2-CB 3.16Å; H176-S195 PolarHBondContact NE2-O 2.83Å; H176-S195 PolarHBondContact NE2-OG 3.39Å; G182-S195 CarbonylContact O-C 3.52Å; G182-S195 VanDerWaalsContact O-CA 3.29Å; G182-S195 WeakPolarHBondContact O-CA 3.45Å; S195-I202 CarbonylContact O-C 3.55Å; S195-I202 VanDerWaalsContact O-CA 3.28Å; S195-I202 WeakPolarHBondContact O-CA 3.21Å; S195-C203 PolarHBondContact N-O 2.75Å; S195-C203 PolarHBondContact O-N 3.02Å; S195-W205 VanDerWaalsContact CB-CZ3 3.42Å
196A98.9Very high98.4Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-101.7156.1171.900000111.3K143 G182 V230 V233K143-A196 WeakPolarHBondContact CE-O 3.44Å; K143-A196 PolarHBondContact NZ-O 2.89Å; G182-A196 PolarHBondContact O-N 2.95Å; A196-V230 HydrophobicContact CB-CB 3.96Å; A196-V230 HydrophobicContact CB-CG1 3.74Å; A196-V230 WeakPolarHBondContact CB-O 3.27Å; A196-V233 HydrophobicContact CB-CG1 3.87Å; A196-V233 HydrophobicContact CB-CG2 4.06Å
197S98.9Very high98.2Very high0 Ų023.1 Ų23.10%013%0.129CC..  trans-156.2155.1-176177.90000114.2H176 K178 E179 D199 H200 T201 V230H176-S197 VanDerWaalsContact CE1-CB 3.4Å; H176-S197 WeakPolarHBondContact CE1-CB 3.43Å; H176-S197 WeakPolarHBondContact ND1-CB 3.43Å; K178-S197 PolarHBondContact O-OG 2.84Å; E179-S197 VanDerWaalsContact O-CA 3.29Å; E179-S197 WeakPolarHBondContact O-CA 3.33Å; E179-S197 VanDerWaalsContact O-CB 3.29Å; E179-S197 WeakPolarHBondContact O-CB 3.35Å; E179-S197 PolarHBondContact O-OG 3.38Å; S197-D199 WeakPolarHBondContact CB-OD1 3.38Å; S197-D199 PolarHBondContact O-N 3.1Å; S197-D199 VanDerWaalsContact O-N 3.11Å; S197-D199 VanDerWaalsContact OG-CG 3.29Å; S197-D199 PolarHBondContact OG-N 3.26Å; S197-D199 PolarHBondContact OG-OD1 3.25Å; S197-H200 PolarHBondContact O-N 3.43Å; S197-T201 PolarHBondContact N-O 3.49Å; S197-V230 PolarHBondContact N-O 3.01Å; S197-V230 PolarHBondContact O-N 3.3Å
198D98.8Very high97.7Very high39 Ų3925 Ų2521%0.20914%0.144CC..THydrogen-bonded Turntrans-62.2-6.9170.3-59.227.3000114.5K178 E179 H200 V229K178-D198 HydrophobicContact CB-CB 3.93Å; K178-D198 HydrophobicContact CD-CB 3.75Å; K178-D198 WeakPolarHBondContact CD-O 3.39Å; K178-D198 PolarHBondContact NZ-O 3.32Å; E179-D198 PolarHBondContact O-N 2.91Å; E179-D198 VanDerWaalsContact O-N 3.07Å; D198-H200 PolarHBondContact O-CD2 3.43Å; D198-V229 HydrophobicContact CB-CG1 4.31Å; D198-V229 HydrophobicContact CB-CG2 4.22Å
199D98.8Very high96.5Very high24 Ų2425.2 Ų25.213%0.12816%0.155CC..THydrogen-bonded Turntrans-84.66.1170.870.214.3000113.5H176 Q177 K178 S197 T201H176-D199 WeakPolarHBondContact CA-OD2 3.17Å; H176-D199 VanDerWaalsContact CB-OD2 3.29Å; H176-D199 WeakPolarHBondContact CB-OD2 3.47Å; H176-D199 IonicContact CG-OD2 2.91Å; H176-D199 IonicContact ND1-OD1 3.44Å; H176-D199 PolarHBondContact ND1-OD1 3.05Å; H176-D199 IonicContact ND1-OD2 3.26Å; H176-D199 PolarHBondContact ND1-OD2 3.49Å; Q177-D199 HydrophobicContact CB-CB 4.12Å; Q177-D199 PolarHBondContact N-OD2 2.84Å; K178-D199 HydrophobicContact CB-CB 4.3Å; K178-D199 HydrophobicContact CD-CB 4.47Å; K178-D199 HydrophobicContact CG-CB 4.39Å; S197-D199 WeakPolarHBondContact CB-OD1 3.38Å; S197-D199 PolarHBondContact O-N 3.1Å; S197-D199 VanDerWaalsContact O-N 3.11Å; S197-D199 VanDerWaalsContact OG-CG 3.29Å; S197-D199 PolarHBondContact OG-N 3.26Å; S197-D199 PolarHBondContact OG-OD1 3.25Å; D199-T201 VanDerWaalsContact CG-OG1 3.29Å; D199-T201 PolarHBondContact O-N 3.13Å; D199-T201 WeakPolarHBondContact OD1-CA 3.26Å; D199-T201 VanDerWaalsContact OD1-CB 3.29Å; D199-T201 WeakPolarHBondContact OD1-CB 3.22Å; D199-T201 PolarHBondContact OD1-N 2.73Å; D199-T201 PolarHBondContact OD1-OG1 2.85Å; D199-T201 PolarHBondContact OD2-OG1 3.29Å
200H98.8Very high95.3Very high74 Ų7423.8 Ų23.834%0.34315%0.149SC..SBendtrans72.413.3177.6-40.2178000113.3S197 D198 T227 A228S197-H200 PolarHBondContact O-N 3.43Å; D198-H200 PolarHBondContact O-CD2 3.43Å; H200-T227 PolarHBondContact CE1-O 3.06Å; H200-T227 PolarHBondContact ND1-O 3.16Å; H200-A228 VanDerWaalsContact CA-O 3.31Å; H200-A228 WeakPolarHBondContact CA-O 3.34Å; H200-A228 VanDerWaalsContact CB-O 3.22Å; H200-A228 WeakPolarHBondContact CB-O 3.5Å; H200-A228 VanDerWaalsContact CD2-C 3.46Å
201T98.9Very high93.4Very high22 Ų2225.7 Ų25.714%0.13516%0.16CC..  trans-114.8158.5-177.576.10000112.7H176 S197 D199 I222 F223 T224H176-T201 PolarHBondContact CE1-O 2.93Å; H176-T201 PolarHBondContact ND1-OG1 2.92Å; S197-T201 PolarHBondContact N-O 3.49Å; D199-T201 VanDerWaalsContact CG-OG1 3.29Å; D199-T201 PolarHBondContact O-N 3.13Å; D199-T201 WeakPolarHBondContact OD1-CA 3.26Å; D199-T201 VanDerWaalsContact OD1-CB 3.29Å; D199-T201 WeakPolarHBondContact OD1-CB 3.22Å; D199-T201 PolarHBondContact OD1-N 2.73Å; D199-T201 PolarHBondContact OD1-OG1 2.85Å; D199-T201 PolarHBondContact OD2-OG1 3.29Å; T201-I222 HydrophobicContact CG2-CG2 4.1Å; T201-F223 WeakPolarHBondContact CA-O 3.27Å; T201-T224 HydrophobicContact CG2-CG2 4.1Å
202I98.9Very high91.5Very high1 Ų136 Ų361%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-115.4122.7168.6-57.8157.9000107.1L194 S195 I222 F223 V230 V233 F243 S245 W255L194-I202 HydrophobicContact CD2-CG2 3.92Å; S195-I202 CarbonylContact O-C 3.55Å; S195-I202 VanDerWaalsContact O-CA 3.28Å; S195-I202 WeakPolarHBondContact O-CA 3.21Å; I202-I222 CarbonylContact O-C 3.58Å; I202-I222 WeakPolarHBondContact O-CA 3.29Å; I202-F223 HydrophobicContact CB-CB 4.18Å; I202-F223 HydrophobicContact CB-CD2 4.27Å; I202-F223 HydrophobicContact CG2-CD2 4.21Å; I202-F223 PolarHBondContact N-O 2.97Å; I202-F223 PolarHBondContact O-N 2.94Å; I202-V230 HydrophobicContact CD1-CG1 4.19Å; I202-V230 HydrophobicContact CG1-CG1 3.89Å; I202-V230 HydrophobicContact CG1-CG2 4.4Å; I202-V233 HydrophobicContact CB-CG1 4.42Å; I202-V233 HydrophobicContact CD1-CG1 3.93Å; I202-V233 HydrophobicContact CG1-CG1 3.78Å; I202-V233 HydrophobicContact CG2-CG1 3.81Å; I202-F243 HydrophobicContact CD1-CE2 4.22Å; I202-F243 HydrophobicContact CG2-CE2 4.23Å; I202-S245 WeakPolarHBondContact CD1-OG 3.34Å; I202-W255 HydrophobicContact CD1-CZ2 4.4Å
203C98.9Very high89.7Confident0 Ų045 Ų450%025%0.245CC..EExtended strand (participates in β ladder)trans-100.2141.8175-75.50000110.6G175 H176 L194 S195 W205 A219G175-C203 VanDerWaalsContact C-SG 3.58Å; H176-C203 VanDerWaalsContact CE1-SG 3.59Å; L194-C203 WeakPolarHBondContact CA-O 3.45Å; S195-C203 PolarHBondContact N-O 2.75Å; S195-C203 PolarHBondContact O-N 3.02Å; C203-W205 HydrophobicContact CB-CE3 4.27Å; C203-W205 HydrophobicContact CB-CH2 3.16Å; C203-W205 HydrophobicContact CB-CZ2 3.46Å; C203-W205 VanDerWaalsContact CB-CZ2 3.46Å; C203-W205 HydrophobicContact CB-CZ3 3.6Å; C203-W205 WeakPolarHBondContact O-CZ3 3.3Å; C203-A219 HydrophobicContact CB-CB 4.14Å
204M98.8Very high88Confident11 Ų1146.6 Ų46.65%0.05426%0.262CS..EExtended strand (participates in β ladder)trans-121.2130.6173.1-171.5-179.473.800110.2L193 L194 K220 T221 F223 W235 T257L193-M204 VanDerWaalsContact O-CA 3.28Å; L193-M204 WeakPolarHBondContact O-CA 3.26Å; L194-M204 HydrophobicContact CD2-CB 3.77Å; L194-M204 HydrophobicContact CD2-CG 3.9Å; L194-M204 HydrophobicContact CD2-SD 4.4Å; M204-K220 HydrophobicContact CE-CD 4.16Å; M204-K220 HydrophobicContact CE-CG 4.4Å; M204-K220 WeakPolarHBondContact O-CB 3.31Å; M204-K220 PolarHBondContact O-N 3.47Å; M204-T221 WeakPolarHBondContact CE-OG1 3.3Å; M204-T221 PolarHBondContact N-O 3.02Å; M204-T221 PolarHBondContact O-N 2.85Å; M204-F223 HydrophobicContact CB-CE2 4.06Å; M204-W235 HydrophobicContact CG-CZ2 4.29Å; M204-W235 HydrophobicContact SD-CH2 3.75Å; M204-W235 HydrophobicContact SD-CZ2 3.93Å; M204-T257 HydrophobicContact SD-CG2 3.96Å
205W98.4Very high87.5Confident0 Ų052.9 Ų52.90%029%0.289CS..EExtended strand (participates in β ladder)trans-118.7157.2173.2-59.6-96.7000111V149 L173 R174 H176 C192 L193 S195 C203 I207 V217 A219V149-W205 HydrophobicContact CB-CH2 4.44Å; V149-W205 HydrophobicContact CG2-CH2 3.83Å; V149-W205 HydrophobicContact CG2-CZ3 4.32Å; L173-W205 HydrophobicContact CB-CD2 3.92Å; L173-W205 HydrophobicContact CB-CG 4.07Å; L173-W205 HydrophobicContact CB-CZ2 4.07Å; L173-W205 HydrophobicContact CD1-CB 4.27Å; L173-W205 HydrophobicContact CD1-CD2 4.02Å; L173-W205 HydrophobicContact CD1-CE3 4.19Å; L173-W205 HydrophobicContact CD1-CG 4.06Å; L173-W205 HydrophobicContact CG-CG 4.46Å; R174-W205 PolarHBondContact O-NE1 3.45Å; H176-W205 AromaticContact CD2-CH2 3.86Å; H176-W205 AromaticContact NE2-CH2 3.9Å; C192-W205 WeakPolarHBondContact CA-O 3.5Å; L193-W205 PolarHBondContact N-O 3.12Å; L193-W205 PolarHBondContact O-N 3.39Å; S195-W205 VanDerWaalsContact CB-CZ3 3.42Å; C203-W205 HydrophobicContact CB-CE3 4.27Å; C203-W205 HydrophobicContact CB-CH2 3.16Å; C203-W205 HydrophobicContact CB-CZ2 3.46Å; C203-W205 VanDerWaalsContact CB-CZ2 3.46Å; C203-W205 HydrophobicContact CB-CZ3 3.6Å; C203-W205 WeakPolarHBondContact O-CZ3 3.3Å; W205-I207 HydrophobicContact CB-CG2 4.49Å; W205-V217 PolarHBondContact NE1-O 2.82Å; W205-A219 VanDerWaalsContact CD1-CA 3.47Å; W205-A219 HydrophobicContact CZ2-CB 4.42Å; W205-A219 VanDerWaalsContact NE1-CA 3.3Å; W205-A219 VanDerWaalsContact NE1-N 3.2Å
206D95.6Very high87.3Confident36 Ų3656.1 Ų56.119%0.19331%0.309CS..EExtended strand (participates in β ladder)trans-12793.5171.9-178.7-11.4000107.7G191 S208 K220G191-D206 WeakPolarHBondContact O-CA 3.45Å; D206-S208 PolarHBondContact O-N 3.44Å; D206-S208 WeakPolarHBondContact OD1-CB 3.37Å; D206-S208 PolarHBondContact OD1-N 2.86Å; D206-S208 PolarHBondContact OD1-OG 2.96Å; D206-K220 HydrophobicContact CB-CD 3.76Å; D206-K220 IonicContact OD2-NZ 2.66Å; D206-K220 PolarHBondContact OD2-NZ 3.28Å
207I94.4Very high87.1Confident28 Ų2856.9 Ų56.914%0.14431%0.313CS..G310 helixtrans-79.2-7.8-176.465.7156.5000112.6I139 V151 L171 L173 W185 G191 W205 A209I139-I207 HydrophobicContact CG2-CD1 4.43Å; V151-I207 HydrophobicContact CG1-CD1 4.43Å; L171-I207 HydrophobicContact CD1-CB 3.82Å; L171-I207 HydrophobicContact CD1-CD1 4.13Å; L171-I207 HydrophobicContact CD1-CG2 3.88Å; L173-I207 HydrophobicContact CD1-CG2 4.29Å; L173-I207 HydrophobicContact CD2-CG2 3.71Å; W185-I207 HydrophobicContact CH2-CD1 3.59Å; W185-I207 HydrophobicContact CH2-CG1 4.16Å; W185-I207 HydrophobicContact CZ3-CD1 4.01Å; W185-I207 HydrophobicContact CZ3-CG1 4.13Å; G191-I207 VanDerWaalsContact CA-CG1 3.5Å; G191-I207 WeakPolarHBondContact O-CG1 3.5Å; G191-I207 PolarHBondContact O-N 2.84Å; W205-I207 HydrophobicContact CB-CG2 4.49Å; I207-A209 VanDerWaalsContact C-N 3.34Å
208S88.4Confident87Confident82 Ų8262.5 Ų62.557%0.57334%0.344SS*.G310 helixtrans-74.9-27.2177.879.10000112.5D206D206-S208 PolarHBondContact O-N 3.44Å; D206-S208 WeakPolarHBondContact OD1-CB 3.37Å; D206-S208 PolarHBondContact OD1-N 2.86Å; D206-S208 PolarHBondContact OD1-OG 2.96Å
209A73.5Confident86.9Confident75 Ų7561.9 Ų61.962%0.6234%0.344SS*.G310 helixtrans-89.1-1.8-176.500000114I207I207-A209 VanDerWaalsContact C-N 3.34Å
210V70.9Confident86.8Confident36 Ų3666.7 Ų66.722%0.21836%0.364CS..SBendtrans-81.3130.2-170.4-176.40000110.7K212 V217V210-K212 PolarHBondContact O-N 3.37Å; V210-V217 HydrophobicContact CB-CG2 4.34Å; V210-V217 HydrophobicContact CG1-CG2 3.82Å; V210-V217 HydrophobicContact CG2-CB 4.34Å; V210-V217 HydrophobicContact CG2-CG1 3.69Å; V210-V217 HydrophobicContact CG2-CG2 3.62Å
211P58Low86.8Confident102 Ų10264.9 Ų64.966%0.66236%0.358SS*.  trans-64.8134.9173.119.5-22.7000110.6E213 G214P211-E213 PolarHBondContact O-N 2.81Å; P211-G214 PolarHBondContact O-N 3.21Å
212K58.6Low86.8Confident218 Ų21867 Ų6795%0.94837%0.367SS*.THydrogen-bonded Turntrans-55.9-2.5-173.5-67-178.7176.4-178.20116.5V210V210-K212 PolarHBondContact O-N 3.37Å
213E59.1Low86.8Confident196 Ų19667.2 Ų67.292%0.91637%0.368SS*.THydrogen-bonded Turntrans-103.1-11.1-175.6-65.4-175.5170.800113.6P211P211-E213 PolarHBondContact O-N 2.81Å
214G63.9Low86.8Confident34 Ų3470.6 Ų70.635%0.35139%0.389SS..  trans-107.1122.5178.600000112.9P211 V216P211-G214 PolarHBondContact O-N 3.21Å; G214-V216 VanDerWaalsContact C-N 3.33Å
215K87.3Confident86.8Confident132 Ų13270.8 Ų70.857%0.57439%0.394SS*.SBendtrans-81.6-7.8172-69.3-165.1174.3-161.80113.8L171 R172L171-K215 CarbonylContact C-O 3.59Å; L171-K215 WeakPolarHBondContact CA-O 3.36Å; R172-K215 PolarHBondContact N-O 3.38Å
216V94.7Very high86.8Confident68 Ų6871.3 Ų71.341%0.41240%0.397SS..EExtended strand (participates in β ladder)trans-116.4131.9-176.5-176.10000109.9R172 R174 G214R172-V216 HydrophobicContact CB-CG2 4.43Å; R172-V216 CarbonylContact O-C 3.46Å; R172-V216 VanDerWaalsContact O-CA 3.27Å; R172-V216 WeakPolarHBondContact O-CA 3.34Å; R174-V216 HydrophobicContact CG-CG1 4.13Å; G214-V216 VanDerWaalsContact C-N 3.33Å
217V95.4Very high86.9Confident16 Ų1674.6 Ų74.610%0.09742%0.418CS..EExtended strand (participates in β ladder)trans-129.7120.4-178-169.90000109.4L171 R172 L173 R174 W205 V210L171-V217 HydrophobicContact CD2-CG2 4.25Å; R172-V217 PolarHBondContact O-N 2.86Å; L173-V217 CarbonylContact C-O 3.52Å; L173-V217 VanDerWaalsContact CA-O 3.3Å; L173-V217 WeakPolarHBondContact CA-O 3.4Å; L173-V217 HydrophobicContact CD2-CB 3.71Å; L173-V217 HydrophobicContact CD2-CG1 4.48Å; L173-V217 HydrophobicContact CD2-CG2 3.91Å; R174-V217 PolarHBondContact N-O 3Å; W205-V217 PolarHBondContact NE1-O 2.82Å; V210-V217 HydrophobicContact CB-CG2 4.34Å; V210-V217 HydrophobicContact CG1-CG2 3.82Å; V210-V217 HydrophobicContact CG2-CB 4.34Å; V210-V217 HydrophobicContact CG2-CG1 3.69Å; V210-V217 HydrophobicContact CG2-CG2 3.62Å
218D96.1Very high87.1Confident119 Ų11974.3 Ų74.364%0.63642%0.42SS*.EExtended strand (participates in β ladder)trans-80.8153.3174.9-62.1-48.6000111.2R174 K220R174-D218 CarbonylContact O-C 3.59Å; R174-D218 WeakPolarHBondContact O-CA 3.37Å; D218-K220 PolarHBondContact O-N 3.32Å
219A97.7Very high87.6Confident25 Ų2571.7 Ų71.721%0.20740%0.4CS..  trans-57.1130.6179.800000111.3R174 C203 W205 I222R174-A219 PolarHBondContact O-N 3.01Å; C203-A219 HydrophobicContact CB-CB 4.14Å; W205-A219 VanDerWaalsContact CD1-CA 3.47Å; W205-A219 HydrophobicContact CZ2-CB 4.42Å; W205-A219 VanDerWaalsContact NE1-CA 3.3Å; W205-A219 VanDerWaalsContact NE1-N 3.2Å; A219-I222 HydrophobicContact CB-CD1 4.23Å; A219-I222 HydrophobicContact CB-CG1 3.82Å
220K96.7Very high88.8Confident126 Ų12668.1 Ų68.155%0.54837%0.371SS..SBendtrans-69.8-41.4175.1177.9176.1178.6178.50110.7M204 D206 D218M204-K220 HydrophobicContact CE-CD 4.16Å; M204-K220 HydrophobicContact CE-CG 4.4Å; M204-K220 WeakPolarHBondContact O-CB 3.31Å; M204-K220 PolarHBondContact O-N 3.47Å; D206-K220 HydrophobicContact CB-CD 3.76Å; D206-K220 IonicContact OD2-NZ 2.66Å; D206-K220 PolarHBondContact OD2-NZ 3.28Å; D218-K220 PolarHBondContact O-N 3.32Å
221T98.3Very high90.2Very high36 Ų3667.9 Ų67.922%0.22137%0.367CS..EExtended strand (participates in β ladder)trans-143.1138.9178.9-51.90000109.4M204 F223 T262M204-T221 WeakPolarHBondContact CE-OG1 3.3Å; M204-T221 PolarHBondContact N-O 3.02Å; M204-T221 PolarHBondContact O-N 2.85Å; T221-F223 HydrophobicContact CG2-CD1 4.45Å; T221-F223 HydrophobicContact CG2-CD2 4.29Å; T221-F223 HydrophobicContact CG2-CE1 3.98Å; T221-F223 HydrophobicContact CG2-CE2 3.8Å; T221-F223 HydrophobicContact CG2-CZ 3.62Å; T221-T262 HydrophobicContact CG2-CG2 3.48Å; T221-T262 VanDerWaalsContact CG2-CG2 3.48Å
222I98.8Very high92.1Very high65 Ų6563.4 Ų63.433%0.33334%0.338SS..EExtended strand (participates in β ladder)trans-119122.2172.5-54.5-179.4000107.7T201 I202 A219 T224 T262T201-I222 HydrophobicContact CG2-CG2 4.1Å; I202-I222 CarbonylContact O-C 3.58Å; I202-I222 WeakPolarHBondContact O-CA 3.29Å; A219-I222 HydrophobicContact CB-CD1 4.23Å; A219-I222 HydrophobicContact CB-CG1 3.82Å; I222-T224 HydrophobicContact CG2-CG2 4.04Å; I222-T262 WeakPolarHBondContact O-CB 3.23Å; I222-T262 PolarHBondContact O-OG1 3.22Å
223F98.9Very high94Very high6 Ų653.1 Ų53.13%0.02629%0.293CS..EExtended strand (participates in β ladder)trans-98.6131.7177.1-51.9-96000109.9L194 T201 I202 M204 T221 F243 W255 T262L194-F223 HydrophobicContact CD2-CE2 4.45Å; T201-F223 WeakPolarHBondContact CA-O 3.27Å; I202-F223 HydrophobicContact CB-CB 4.18Å; I202-F223 HydrophobicContact CB-CD2 4.27Å; I202-F223 HydrophobicContact CG2-CD2 4.21Å; I202-F223 PolarHBondContact N-O 2.97Å; I202-F223 PolarHBondContact O-N 2.94Å; M204-F223 HydrophobicContact CB-CE2 4.06Å; T221-F223 HydrophobicContact CG2-CD1 4.45Å; T221-F223 HydrophobicContact CG2-CD2 4.29Å; T221-F223 HydrophobicContact CG2-CE1 3.98Å; T221-F223 HydrophobicContact CG2-CE2 3.8Å; T221-F223 HydrophobicContact CG2-CZ 3.62Å; F223-F243 HydrophobicContact CD1-CZ 4.09Å; F223-F243 AromaticContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CE1-CE1 4.09Å; F223-F243 AromaticContact CE1-CZ 3.95Å; F223-F243 HydrophobicContact CE1-CZ 3.95Å; F223-F243 AromaticContact CE2-CE1 3.97Å; F223-F243 HydrophobicContact CE2-CE1 3.97Å; F223-F243 AromaticContact CE2-CZ 3.66Å; F223-F243 HydrophobicContact CE2-CZ 3.66Å; F223-F243 HydrophobicContact CG-CZ 4.03Å; F223-F243 AromaticContact CZ-CE1 3.71Å; F223-F243 HydrophobicContact CZ-CE1 3.71Å; F223-F243 AromaticContact CZ-CZ 3.73Å; F223-F243 HydrophobicContact CZ-CZ 3.73Å; F223-W255 HydrophobicContact CB-CE3 4.31Å; F223-W255 HydrophobicContact CB-CH2 4.01Å; F223-W255 HydrophobicContact CB-CZ2 4.38Å; F223-W255 HydrophobicContact CB-CZ3 3.99Å; F223-W255 HydrophobicContact CD1-CD2 4.3Å; F223-W255 AromaticContact CD1-CE3 3.63Å; F223-W255 HydrophobicContact CD1-CE3 3.63Å; F223-W255 AromaticContact CD1-CZ3 3.87Å; F223-W255 HydrophobicContact CD1-CZ3 3.87Å; F223-W255 HydrophobicContact CE1-CE3 4.36Å; F223-W255 HydrophobicContact CG-CE3 4.3Å; F223-W255 HydrophobicContact CG-CZ3 4.38Å; F223-T262 CarbonylContact C-O 3.59Å; F223-T262 WeakPolarHBondContact CA-O 3.3Å; F223-T262 HydrophobicContact CD1-CG2 4.33Å; F223-T262 HydrophobicContact CE1-CG2 4.37Å
224T98.7Very high95.9Very high71 Ų7144.7 Ų44.744%0.43626%0.256SS..  trans-131.442.1-168.967.10000111.4T201 I222 T262 S263T201-T224 HydrophobicContact CG2-CG2 4.1Å; I222-T224 HydrophobicContact CG2-CG2 4.04Å; T224-T262 PolarHBondContact N-O 3.21Å; T224-S263 WeakPolarHBondContact OG1-CB 3.24Å
225G98.6Very high97.6Very high16 Ų1643.1 Ų43.117%0.16524%0.24CC..  trans-88.4-32.6-178.500000114.2
226H98.8Very high98.2Very high11 Ų1137 Ų375%0.05121%0.213CC..  trans-71.1155.8176-76.5-73.9000111.3V230 S245 A247 D249H226-V230 HydrophobicContact CB-CG2 3.72Å; H226-S245 PolarHBondContact CD2-OG 2.88Å; H226-S245 PolarHBondContact NE2-OG 3.3Å; H226-A247 HydrophobicContact CB-CB 4.32Å; H226-A247 VanDerWaalsContact CE1-CB 3.45Å; H226-A247 WeakPolarHBondContact CE1-CB 3.48Å; H226-A247 WeakPolarHBondContact ND1-CB 3.41Å; H226-D249 WeakPolarHBondContact CA-OD2 3.23Å; H226-D249 IonicContact CE1-OD1 2.85Å; H226-D249 IonicContact CG-OD2 2.84Å; H226-D249 IonicContact ND1-OD1 3.73Å; H226-D249 PolarHBondContact ND1-OD1 3.39Å; H226-D249 IonicContact ND1-OD2 3.44Å; H226-D249 PolarHBondContact ND1-OD2 2.68Å
227T98.6Very high98.3Very high104 Ų10436.8 Ų36.864%0.63821%0.209SC*.SBendtrans-115.7-5-176.354.60000113.9H200 D249H200-T227 PolarHBondContact CE1-O 3.06Å; H200-T227 PolarHBondContact ND1-O 3.16Å; T227-D249 PolarHBondContact N-OD2 2.77Å; T227-D249 WeakPolarHBondContact OG1-CB 3.36Å; T227-D249 PolarHBondContact OG1-OD2 3.24Å
228A98.8Very high98.4Very high23 Ų2340.8 Ų40.819%0.1923%0.229CC..SBendtrans-135.5-172.7176.200000110H200 V230 D248 D249H200-A228 VanDerWaalsContact CA-O 3.31Å; H200-A228 WeakPolarHBondContact CA-O 3.34Å; H200-A228 VanDerWaalsContact CB-O 3.22Å; H200-A228 WeakPolarHBondContact CB-O 3.5Å; H200-A228 VanDerWaalsContact CD2-C 3.46Å; A228-V230 PolarHBondContact O-N 3.2Å; A228-D248 HydrophobicContact CB-CB 3.6Å; A228-D249 HydrophobicContact CB-CB 3.98Å
229V98.9Very high98.5Very high26 Ų2638.9 Ų38.916%0.15822%0.217CC..  trans-54131.4178.3174.70000110.1D198 E231 A247 D248D198-V229 HydrophobicContact CB-CG1 4.31Å; D198-V229 HydrophobicContact CB-CG2 4.22Å; V229-E231 VanDerWaalsContact CG1-OE1 3.26Å; V229-E231 WeakPolarHBondContact CG1-OE1 3.47Å; V229-A247 CarbonylContact O-C 3.15Å; V229-A247 WeakPolarHBondContact O-CA 3.49Å; V229-A247 WeakPolarHBondContact O-CB 3.36Å; V229-D248 HydrophobicContact CB-CB 4.39Å; V229-D248 WeakPolarHBondContact CB-OD2 3.25Å; V229-D248 PolarHBondContact O-N 3.47Å
230V98.9Very high98.6Very high1 Ų142 Ų421%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-94113.7174.4-167.50000107.9A196 S197 I202 H226 A228 V233 V246A196-V230 HydrophobicContact CB-CB 3.96Å; A196-V230 HydrophobicContact CB-CG1 3.74Å; A196-V230 WeakPolarHBondContact CB-O 3.27Å; S197-V230 PolarHBondContact N-O 3.01Å; S197-V230 PolarHBondContact O-N 3.3Å; I202-V230 HydrophobicContact CD1-CG1 4.19Å; I202-V230 HydrophobicContact CG1-CG1 3.89Å; I202-V230 HydrophobicContact CG1-CG2 4.4Å; H226-V230 HydrophobicContact CB-CG2 3.72Å; A228-V230 PolarHBondContact O-N 3.2Å; V230-V233 HydrophobicContact CG1-CG1 4.37Å; V230-V246 VanDerWaalsContact CG1-O 3.28Å; V230-V246 WeakPolarHBondContact CG1-O 3.42Å
231E98.9Very high98.7Very high30 Ų3036.7 Ų36.714%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-81.6-48.2-171.4-71.6-61.5152.300111.6G182 V229 V246 V276G182-E231 WeakPolarHBondContact CA-O 3.48Å; G182-E231 PolarHBondContact N-O 2.95Å; V229-E231 VanDerWaalsContact CG1-OE1 3.26Å; V229-E231 WeakPolarHBondContact CG1-OE1 3.47Å; E231-V246 PolarHBondContact N-O 3.5Å; E231-V276 WeakPolarHBondContact CB-O 3.18Å
232D98.9Very high98.7Very high8 Ų836.7 Ų36.74%0.04320%0.204CC..EExtended strand (participates in β ladder)trans-144.5153-175.5-160.623.4000113.9R129 G182 S245 V246 N277 L279R129-D232 IonicContact NH1-OD1 3.91Å; R129-D232 PolarHBondContact NH1-OD1 2.89Å; G182-D232 WeakPolarHBondContact CA-OD1 3.29Å; D232-S245 WeakPolarHBondContact O-CA 3.18Å; D232-V246 HydrophobicContact CB-CG2 3.81Å; D232-V246 PolarHBondContact N-O 3.2Å; D232-V246 PolarHBondContact O-N 3.38Å; D232-N277 WeakPolarHBondContact CB-O 3.38Å; D232-L279 HydrophobicContact CB-CD2 3.83Å; D232-L279 PolarHBondContact OD2-N 2.91Å
233V98.9Very high98.7Very high2 Ų233.6 Ų33.61%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-139.9137.9179.6-74.50000109.2S184 L194 A196 I202 V230 G244S184-V233 VanDerWaalsContact CB-O 3.22Å; S184-V233 WeakPolarHBondContact CB-O 3.33Å; L194-V233 HydrophobicContact CB-CB 4.33Å; L194-V233 HydrophobicContact CB-CG2 3.91Å; A196-V233 HydrophobicContact CB-CG1 3.87Å; A196-V233 HydrophobicContact CB-CG2 4.06Å; I202-V233 HydrophobicContact CB-CG1 4.42Å; I202-V233 HydrophobicContact CD1-CG1 3.93Å; I202-V233 HydrophobicContact CG1-CG1 3.78Å; I202-V233 HydrophobicContact CG2-CG1 3.81Å; V230-V233 HydrophobicContact CG1-CG1 4.37Å; V233-G244 WeakPolarHBondContact CA-O 3.43Å
234S98.9Very high98.7Very high19 Ų1933.3 Ų33.313%0.13319%0.187CC..EExtended strand (participates in β ladder)trans-143128.6-179.2-1690000110.8F243 G244 F281S234-F243 CarbonylContact O-C 3.56Å; S234-F243 VanDerWaalsContact O-CA 3.29Å; S234-F243 WeakPolarHBondContact O-CA 3.39Å; S234-F243 VanDerWaalsContact O-CB 3.3Å; S234-F243 WeakPolarHBondContact O-CB 3.25Å; S234-G244 PolarHBondContact N-O 3.42Å; S234-G244 PolarHBondContact O-N 2.81Å; S234-F281 VanDerWaalsContact O-CE2 3.3Å; S234-F281 WeakPolarHBondContact O-CE2 3.48Å
235W98.9Very high98.7Very high2 Ų229.9 Ų29.91%0.00817%0.166CC..EExtended strand (participates in β ladder)trans-67145.1169.5-75.1101.6000110.9S184 N186 C192 L194 M204 E240 F243 T257 F281S184-W235 PolarHBondContact O-NE1 3.05Å; S184-W235 VanDerWaalsContact O-NE1 3.15Å; S184-W235 PolarHBondContact OG-N 2.92Å; S184-W235 VanDerWaalsContact OG-N 3.1Å; N186-W235 VanDerWaalsContact CA-CD1 3.43Å; N186-W235 HydrophobicContact CB-CD2 3.82Å; N186-W235 HydrophobicContact CB-CE3 4.5Å; N186-W235 HydrophobicContact CB-CG 3.9Å; N186-W235 HydrophobicContact CB-CZ2 4.27Å; N186-W235 VanDerWaalsContact ND2-CD2 3.35Å; N186-W235 WeakPolarHBondContact ND2-CZ3 3.41Å; C192-W235 WeakPolarHBondContact SG-CZ2 3.43Å; L194-W235 HydrophobicContact CD1-CD2 3.65Å; L194-W235 HydrophobicContact CD1-CE3 4.28Å; L194-W235 HydrophobicContact CD1-CG 4.01Å; L194-W235 HydrophobicContact CD1-CH2 4.19Å; L194-W235 HydrophobicContact CD1-CZ2 3.58Å; L194-W235 HydrophobicContact CD2-CH2 4.5Å; L194-W235 HydrophobicContact CD2-CZ2 3.91Å; L194-W235 HydrophobicContact CG-CD2 4.33Å; L194-W235 VanDerWaalsContact CG-CE2 3.42Å; L194-W235 HydrophobicContact CG-CH2 4.36Å; L194-W235 HydrophobicContact CG-CZ2 3.46Å; L194-W235 VanDerWaalsContact CG-CZ2 3.46Å; M204-W235 HydrophobicContact CG-CZ2 4.29Å; M204-W235 HydrophobicContact SD-CH2 3.75Å; M204-W235 HydrophobicContact SD-CZ2 3.93Å; W235-E240 WeakPolarHBondContact CZ3-O 3.44Å; W235-F243 HydrophobicContact CD2-CB 4.16Å; W235-F243 HydrophobicContact CE3-CB 3.81Å; W235-F243 HydrophobicContact CE3-CD1 4.34Å; W235-F243 HydrophobicContact CH2-CD1 4.17Å; W235-F243 HydrophobicContact CZ3-CB 4.23Å; W235-F243 AromaticContact CZ3-CD1 3.88Å; W235-F243 HydrophobicContact CZ3-CD1 3.88Å; W235-F243 HydrophobicContact CZ3-CG 4.48Å; W235-T257 HydrophobicContact CH2-CG2 3.64Å; W235-T257 HydrophobicContact CZ3-CG2 3.84Å; W235-F281 WeakPolarHBondContact O-CD2 3.49Å
236H98.9Very high98.7Very high4 Ų429.1 Ų29.12%0.01916%0.158CC..  trans-65.1138.4163.1-171.8-65000109.8L238 H239 L242 F281 E286H236-L238 PolarHBondContact ND1-N 2.87Å; H236-H239 HydrophobicContact CB-CB 4.5Å; H236-H239 AromaticContact CE1-CD2 3.41Å; H236-H239 PolarHBondContact CE1-CD2 3.12Å; H236-H239 VanDerWaalsContact CE1-CD2 3.41Å; H236-H239 AromaticContact ND1-CD2 3.82Å; H236-H239 PolarHBondContact ND1-N 2.92Å; H236-H239 AromaticContact NE2-CD2 3.6Å; H236-L242 HydrophobicContact CB-CB 3.82Å; H236-L242 WeakPolarHBondContact CB-O 3.26Å; H236-L242 PolarHBondContact N-O 3.13Å; H236-F281 HydrophobicContact CB-CE1 4.47Å; H236-F281 AromaticContact CD2-CD1 3.79Å; H236-F281 AromaticContact CD2-CE1 3.8Å; H236-E286 PolarHBondContact NE2-O 3.39Å
237L98.3Very high98.7Very high62 Ų6228.6 Ų28.633%0.32516%0.156SC..SBendtrans-77.9-28.3-170.3-59.4174.4000113.9P187 N188 F281 P283P187-L237 HydrophobicContact CG-CD2 4.13Å; N188-L237 PolarHBondContact ND2-O 2.97Å; L237-F281 HydrophobicContact CD1-CB 4.33Å; L237-F281 HydrophobicContact CG-CB 4.27Å; L237-P283 VanDerWaalsContact CD1-CA 3.47Å; L237-P283 HydrophobicContact CD1-CB 3.79Å
238L97.9Very high98.7Very high100 Ų10026 Ų2652%0.52414%0.138SC..SBendtrans-101.6-48.4174.7-55.7174.4000114.7N188 H236 E240 E286N188-L238 PolarHBondContact ND2-O 3.05Å; H236-L238 PolarHBondContact ND1-N 2.87Å; L238-E240 PolarHBondContact O-N 2.79Å; L238-E286 HydrophobicContact CD1-CB 3.78Å
239H98.3Very high98.7Very high80 Ų8026 Ų2637%0.3714%0.135SC..  trans-84.8102.9-177.1-62.1-61.6000111.8H236 S241 L242 E286H236-H239 HydrophobicContact CB-CB 4.5Å; H236-H239 AromaticContact CE1-CD2 3.41Å; H236-H239 PolarHBondContact CE1-CD2 3.12Å; H236-H239 VanDerWaalsContact CE1-CD2 3.41Å; H236-H239 AromaticContact ND1-CD2 3.82Å; H236-H239 PolarHBondContact ND1-N 2.92Å; H236-H239 AromaticContact NE2-CD2 3.6Å; H239-S241 PolarHBondContact O-N 3.45Å; H239-L242 HydrophobicContact CB-CB 4.24Å; H239-L242 HydrophobicContact CB-CD1 3.9Å; H239-L242 HydrophobicContact CB-CG 4.1Å; H239-L242 PolarHBondContact O-N 3.2Å; H239-L242 VanDerWaalsContact O-N 3.1Å; H239-E286 IonicContact CE1-OE2 2.74Å; H239-E286 IonicContact NE2-OE2 2.63Å; H239-E286 PolarHBondContact NE2-OE2 2.93Å
240E98.1Very high98.7Very high91 Ų9128.4 Ų28.443%0.42514%0.144SC..THydrogen-bonded Turntrans-57.5-20.8-173.568.9176.3-154.400116.4N186 N188 L189 W235 L238N186-E240 PolarHBondContact ND2-O 2.9Å; N188-E240 HydrophobicContact CB-CB 3.71Å; L189-E240 HydrophobicContact CD1-CB 4.01Å; L189-E240 HydrophobicContact CD1-CG 4.27Å; L189-E240 WeakPolarHBondContact CD2-OE2 3.36Å; L189-E240 HydrophobicContact CG-CB 4Å; W235-E240 WeakPolarHBondContact CZ3-O 3.44Å; L238-E240 PolarHBondContact O-N 2.79Å
241S98.5Very high98.7Very high13 Ų1331 Ų319%0.09116%0.155CC..THydrogen-bonded Turntrans-96.3-12.6-176.7-52.70000113.6H239 D256 T257H239-S241 PolarHBondContact O-N 3.45Å; S241-D256 WeakPolarHBondContact O-CA 3.36Å; S241-T257 WeakPolarHBondContact CA-OG1 3.46Å; S241-T257 WeakPolarHBondContact CB-OG1 3.49Å; S241-T257 PolarHBondContact O-N 3.27Å; S241-T257 PolarHBondContact O-OG1 2.87Å
242L98.8Very high98.7Very high36 Ų3629.6 Ų29.619%0.18815%0.149CC..EExtended strand (participates in β ladder)trans-99.8138.8-174.5-64.8-179.6000111H236 H239 W255 D256H236-L242 HydrophobicContact CB-CB 3.82Å; H236-L242 WeakPolarHBondContact CB-O 3.26Å; H236-L242 PolarHBondContact N-O 3.13Å; H239-L242 HydrophobicContact CB-CB 4.24Å; H239-L242 HydrophobicContact CB-CD1 3.9Å; H239-L242 HydrophobicContact CB-CG 4.1Å; H239-L242 PolarHBondContact O-N 3.2Å; H239-L242 VanDerWaalsContact O-N 3.1Å; L242-W255 WeakPolarHBondContact CA-O 3.39Å; L242-W255 WeakPolarHBondContact CD2-O 3.42Å; L242-D256 HydrophobicContact CD2-CB 3.94Å
243F98.9Very high98.7Very high0 Ų029.6 Ų29.60%015%0.149CC..EExtended strand (participates in β ladder)trans-146.5156.4169.168.2-89.9000110.3L194 I202 F223 S234 W235 W255 T257L194-F243 HydrophobicContact CD1-CB 3.55Å; L194-F243 HydrophobicContact CD1-CD1 3.96Å; L194-F243 HydrophobicContact CD1-CD2 3.59Å; L194-F243 HydrophobicContact CD1-CE2 4.2Å; L194-F243 HydrophobicContact CD1-CG 3.44Å; L194-F243 VanDerWaalsContact CD1-CG 3.44Å; L194-F243 HydrophobicContact CD2-CE1 4.42Å; L194-F243 HydrophobicContact CD2-CE2 4.38Å; L194-F243 HydrophobicContact CD2-CZ 4.3Å; I202-F243 HydrophobicContact CD1-CE2 4.22Å; I202-F243 HydrophobicContact CG2-CE2 4.23Å; F223-F243 HydrophobicContact CD1-CZ 4.09Å; F223-F243 AromaticContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CD2-CZ 3.81Å; F223-F243 HydrophobicContact CE1-CE1 4.09Å; F223-F243 AromaticContact CE1-CZ 3.95Å; F223-F243 HydrophobicContact CE1-CZ 3.95Å; F223-F243 AromaticContact CE2-CE1 3.97Å; F223-F243 HydrophobicContact CE2-CE1 3.97Å; F223-F243 AromaticContact CE2-CZ 3.66Å; F223-F243 HydrophobicContact CE2-CZ 3.66Å; F223-F243 HydrophobicContact CG-CZ 4.03Å; F223-F243 AromaticContact CZ-CE1 3.71Å; F223-F243 HydrophobicContact CZ-CE1 3.71Å; F223-F243 AromaticContact CZ-CZ 3.73Å; F223-F243 HydrophobicContact CZ-CZ 3.73Å; S234-F243 CarbonylContact O-C 3.56Å; S234-F243 VanDerWaalsContact O-CA 3.29Å; S234-F243 WeakPolarHBondContact O-CA 3.39Å; S234-F243 VanDerWaalsContact O-CB 3.3Å; S234-F243 WeakPolarHBondContact O-CB 3.25Å; W235-F243 HydrophobicContact CD2-CB 4.16Å; W235-F243 HydrophobicContact CE3-CB 3.81Å; W235-F243 HydrophobicContact CE3-CD1 4.34Å; W235-F243 HydrophobicContact CH2-CD1 4.17Å; W235-F243 HydrophobicContact CZ3-CB 4.23Å; W235-F243 AromaticContact CZ3-CD1 3.88Å; W235-F243 HydrophobicContact CZ3-CD1 3.88Å; W235-F243 HydrophobicContact CZ3-CG 4.48Å; F243-W255 HydrophobicContact CD1-CB 3.71Å; F243-W255 HydrophobicContact CD2-CB 3.91Å; F243-W255 AromaticContact CD2-CD1 3.69Å; F243-W255 HydrophobicContact CD2-CG 4.02Å; F243-W255 HydrophobicContact CE1-CB 3.29Å; F243-W255 HydrophobicContact CE1-CG 4.03Å; F243-W255 HydrophobicContact CE2-CB 3.52Å; F243-W255 AromaticContact CE2-CD1 3.22Å; F243-W255 HydrophobicContact CE2-CD2 4.19Å; F243-W255 AromaticContact CE2-CG 3.37Å; F243-W255 HydrophobicContact CE2-CG 3.37Å; F243-W255 AromaticContact CE2-NE1 3.94Å; F243-W255 HydrophobicContact CG-CB 4Å; F243-W255 HydrophobicContact CZ-CB 3.19Å; F243-W255 AromaticContact CZ-CD1 3.77Å; F243-W255 HydrophobicContact CZ-CD2 4.03Å; F243-W255 AromaticContact CZ-CG 3.37Å; F243-W255 HydrophobicContact CZ-CG 3.37Å; F243-W255 PolarHBondContact N-O 2.8Å; F243-W255 PolarHBondContact O-N 3.35Å; F243-T257 HydrophobicContact CD1-CG2 4.25Å; F243-T257 HydrophobicContact CE1-CG2 4.09Å
244G98.9Very high98.7Very high0 Ų029.9 Ų29.90%015%0.15CC..EExtended strand (participates in β ladder)trans-106.6154.2172.900000111.2V233 S234 M253 L279V233-G244 WeakPolarHBondContact CA-O 3.43Å; S234-G244 PolarHBondContact N-O 3.42Å; S234-G244 PolarHBondContact O-N 2.81Å; G244-M253 CarbonylContact C-O 3.56Å; G244-M253 VanDerWaalsContact CA-O 3.31Å; G244-M253 WeakPolarHBondContact CA-O 3.41Å; G244-L279 VanDerWaalsContact C-CD1 3.46Å
245S98.9Very high98.7Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-142.2150169.565.50000111.3I202 H226 D232 M253 W255I202-S245 WeakPolarHBondContact CD1-OG 3.34Å; H226-S245 PolarHBondContact CD2-OG 2.88Å; H226-S245 PolarHBondContact NE2-OG 3.3Å; D232-S245 WeakPolarHBondContact O-CA 3.18Å; S245-M253 PolarHBondContact N-O 2.98Å; S245-M253 PolarHBondContact O-N 3.31Å; S245-W255 PolarHBondContact OG-NE1 2.93Å
246V98.9Very high98.7Very high0 Ų030.2 Ų30.20%015%0.15CC..EExtended strand (participates in β ladder)trans-133.8155.3178.6-640000110.7V230 E231 D232 K251 L252 V276 L279V230-V246 VanDerWaalsContact CG1-O 3.28Å; V230-V246 WeakPolarHBondContact CG1-O 3.42Å; E231-V246 PolarHBondContact N-O 3.5Å; D232-V246 HydrophobicContact CB-CG2 3.81Å; D232-V246 PolarHBondContact N-O 3.2Å; D232-V246 PolarHBondContact O-N 3.38Å; V246-K251 WeakPolarHBondContact CA-O 3.25Å; V246-L252 HydrophobicContact CG1-CB 4.43Å; V246-L252 HydrophobicContact CG1-CD1 3.77Å; V246-V276 CarbonylContact C-O 3.58Å; V246-V276 HydrophobicContact CB-CB 3.84Å; V246-V276 HydrophobicContact CB-CG1 3.53Å; V246-V276 WeakPolarHBondContact CB-O 3.46Å; V246-V276 HydrophobicContact CG1-CB 4.34Å; V246-V276 HydrophobicContact CG1-CG1 3.58Å; V246-V276 HydrophobicContact CG2-CG1 4.06Å; V246-V276 VanDerWaalsContact CG2-O 3.28Å; V246-V276 WeakPolarHBondContact CG2-O 3.23Å; V246-L279 HydrophobicContact CG1-CB 3.95Å; V246-L279 HydrophobicContact CG1-CD1 4.46Å; V246-L279 HydrophobicContact CG1-CD2 4.23Å; V246-L279 HydrophobicContact CG1-CG 4.43Å; V246-L279 HydrophobicContact CG2-CB 4.46Å; V246-L279 HydrophobicContact CG2-CD2 3.83Å
247A98.9Very high98.7Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-159.5169.8-167.400000112.8H226 V229 D249 Q250 V276H226-A247 HydrophobicContact CB-CB 4.32Å; H226-A247 VanDerWaalsContact CE1-CB 3.45Å; H226-A247 WeakPolarHBondContact CE1-CB 3.48Å; H226-A247 WeakPolarHBondContact ND1-CB 3.41Å; V229-A247 CarbonylContact O-C 3.15Å; V229-A247 WeakPolarHBondContact O-CA 3.49Å; V229-A247 WeakPolarHBondContact O-CB 3.36Å; A247-D249 WeakPolarHBondContact CB-OD1 3.35Å; A247-D249 PolarHBondContact O-N 3.39Å; A247-Q250 PolarHBondContact O-N 3.34Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; A247-V276 PolarHBondContact N-O 2.75Å; A247-V276 PolarHBondContact O-N 3.2Å
248D98.9Very high98.7Very high49 Ų4937.5 Ų37.526%0.26218%0.178SC..THydrogen-bonded Turntrans-62.1-17.8173.1-78.35.1000113.9A228 V229 Q250 E275A228-D248 HydrophobicContact CB-CB 3.6Å; V229-D248 HydrophobicContact CB-CB 4.39Å; V229-D248 WeakPolarHBondContact CB-OD2 3.25Å; V229-D248 PolarHBondContact O-N 3.47Å; D248-Q250 PolarHBondContact O-N 2.59Å; D248-Q250 VanDerWaalsContact O-N 3.1Å; D248-E275 HydrophobicContact CB-CG 3.97Å; D248-E275 WeakPolarHBondContact OD1-CG 3.25Å
249D98.8Very high98.6Very high23 Ų2335.1 Ų35.112%0.12317%0.17CC..THydrogen-bonded Turntrans-7713174.666.89.3000113.5H226 T227 A228 A247 K251H226-D249 WeakPolarHBondContact CA-OD2 3.23Å; H226-D249 IonicContact CE1-OD1 2.85Å; H226-D249 IonicContact CG-OD2 2.84Å; H226-D249 IonicContact ND1-OD1 3.73Å; H226-D249 PolarHBondContact ND1-OD1 3.39Å; H226-D249 IonicContact ND1-OD2 3.44Å; H226-D249 PolarHBondContact ND1-OD2 2.68Å; T227-D249 PolarHBondContact N-OD2 2.77Å; T227-D249 WeakPolarHBondContact OG1-CB 3.36Å; T227-D249 PolarHBondContact OG1-OD2 3.24Å; A228-D249 HydrophobicContact CB-CB 3.98Å; A247-D249 WeakPolarHBondContact CB-OD1 3.35Å; A247-D249 PolarHBondContact O-N 3.39Å; D249-K251 WeakPolarHBondContact O-CG 3.34Å; D249-K251 PolarHBondContact O-N 2.97Å; D249-K251 WeakPolarHBondContact OD1-CB 3.39Å; D249-K251 PolarHBondContact OD1-N 2.54Å
250Q98.8Very high98.5Very high76 Ų7639.4 Ų39.436%0.35520%0.196SC..SBendtrans67.114175.3-44.3-175.7-16.800113.6A247 D248 A271 T273 A274A247-Q250 PolarHBondContact O-N 3.34Å; A247-Q250 VanDerWaalsContact O-N 3.15Å; D248-Q250 PolarHBondContact O-N 2.59Å; D248-Q250 VanDerWaalsContact O-N 3.1Å; Q250-A271 PolarHBondContact O-N 3.46Å; Q250-T273 PolarHBondContact NE2-O 3.13Å; Q250-T273 VanDerWaalsContact NE2-O 3.15Å; Q250-A274 WeakPolarHBondContact CG-O 3.41Å
251K98.8Very high98.4Very high55 Ų5538.6 Ų38.624%0.23919%0.194CC..EExtended strand (participates in β ladder)trans-104.5142.3-172.7-66.6176.6-173-60.90112.9V246 D249 M253 V269 D270V246-K251 WeakPolarHBondContact CA-O 3.25Å; D249-K251 WeakPolarHBondContact O-CG 3.34Å; D249-K251 PolarHBondContact O-N 2.97Å; D249-K251 WeakPolarHBondContact OD1-CB 3.39Å; D249-K251 PolarHBondContact OD1-N 2.54Å; K251-M253 HydrophobicContact CB-CE 4.23Å; K251-M253 HydrophobicContact CB-CG 4.42Å; K251-M253 HydrophobicContact CD-CE 3.66Å; K251-V269 VanDerWaalsContact CA-O 3.25Å; K251-V269 WeakPolarHBondContact CA-O 3.38Å; K251-D270 IonicContact NZ-OD1 2.68Å; K251-D270 PolarHBondContact NZ-OD1 2.8Å
252L98.9Very high98.4Very high2 Ų240.2 Ų40.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-96.8122.9156171.363.7000108.4V246 I254 A268 V269 A271 L279 L289 W301 L306V246-L252 HydrophobicContact CG1-CB 4.43Å; V246-L252 HydrophobicContact CG1-CD1 3.77Å; L252-I254 HydrophobicContact CD1-CD1 4.26Å; L252-I254 HydrophobicContact CG-CD1 4.49Å; L252-A268 WeakPolarHBondContact O-CA 3.46Å; L252-V269 PolarHBondContact N-O 3.49Å; L252-V269 PolarHBondContact O-N 3.21Å; L252-A271 HydrophobicContact CB-CB 3.8Å; L252-L279 HydrophobicContact CD1-CD1 4.14Å; L252-L289 HydrophobicContact CD1-CD1 3.94Å; L252-L289 HydrophobicContact CD2-CD1 3.89Å; L252-W301 HydrophobicContact CD2-CD2 4.13Å; L252-W301 HydrophobicContact CD2-CG 3.95Å; L252-L306 HydrophobicContact CD2-CD2 4.37Å
253M98.9Very high98.3Very high7 Ų741.7 Ų41.73%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-113.7133.1174.6-63.9-169.2-174.900111G244 S245 K251 W255 P265 H267 A268G244-M253 CarbonylContact C-O 3.56Å; G244-M253 VanDerWaalsContact CA-O 3.31Å; G244-M253 WeakPolarHBondContact CA-O 3.41Å; S245-M253 PolarHBondContact N-O 2.98Å; S245-M253 PolarHBondContact O-N 3.31Å; K251-M253 HydrophobicContact CB-CE 4.23Å; K251-M253 HydrophobicContact CB-CG 4.42Å; K251-M253 HydrophobicContact CD-CE 3.66Å; M253-W255 HydrophobicContact CB-CZ2 4.29Å; M253-W255 HydrophobicContact SD-CH2 4.43Å; M253-W255 HydrophobicContact SD-CZ2 3.66Å; M253-P265 HydrophobicContact CB-CB 3.94Å; M253-P265 HydrophobicContact CB-CG 4.09Å; M253-P265 HydrophobicContact CG-CB 4.38Å; M253-P265 HydrophobicContact CG-CG 3.96Å; M253-P265 HydrophobicContact SD-CB 4.33Å; M253-P265 HydrophobicContact SD-CG 3.71Å; M253-H267 WeakPolarHBondContact CA-O 3.4Å; M253-A268 HydrophobicContact CG-CB 4.09Å
254I98.9Very high98.3Very high8 Ų848.5 Ų48.54%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-107.4124.7171.5-56-57.6000109.1L252 P265 S266 H267 F281 L303 L306L252-I254 HydrophobicContact CD1-CD1 4.26Å; L252-I254 HydrophobicContact CG-CD1 4.49Å; I254-P265 WeakPolarHBondContact O-CB 3.24Å; I254-S266 WeakPolarHBondContact O-CB 3.28Å; I254-S266 PolarHBondContact O-N 3.38Å; I254-H267 HydrophobicContact CB-CB 4.25Å; I254-H267 PolarHBondContact N-O 2.93Å; I254-H267 PolarHBondContact O-N 3.42Å; I254-H267 VanDerWaalsContact O-N 3.16Å; I254-F281 HydrophobicContact CD1-CZ 4.25Å; I254-L303 HydrophobicContact CD1-CD2 3.81Å; I254-L303 HydrophobicContact CG1-CD2 3.85Å; I254-L303 HydrophobicContact CG2-CD2 4.48Å; I254-L306 HydrophobicContact CG1-CD1 3.62Å
255W98.9Very high98.3Very high3 Ų349.4 Ų49.41%0.01125%0.253CS..EExtended strand (participates in β ladder)trans-111154.9-174.1-60.590.4000111.3I202 F223 L242 F243 S245 M253 T262 P265I202-W255 HydrophobicContact CD1-CZ2 4.4Å; F223-W255 HydrophobicContact CB-CE3 4.31Å; F223-W255 HydrophobicContact CB-CH2 4.01Å; F223-W255 HydrophobicContact CB-CZ2 4.38Å; F223-W255 HydrophobicContact CB-CZ3 3.99Å; F223-W255 HydrophobicContact CD1-CD2 4.3Å; F223-W255 AromaticContact CD1-CE3 3.63Å; F223-W255 HydrophobicContact CD1-CE3 3.63Å; F223-W255 AromaticContact CD1-CZ3 3.87Å; F223-W255 HydrophobicContact CD1-CZ3 3.87Å; F223-W255 HydrophobicContact CE1-CE3 4.36Å; F223-W255 HydrophobicContact CG-CE3 4.3Å; F223-W255 HydrophobicContact CG-CZ3 4.38Å; L242-W255 WeakPolarHBondContact CA-O 3.39Å; L242-W255 WeakPolarHBondContact CD2-O 3.42Å; F243-W255 HydrophobicContact CD1-CB 3.71Å; F243-W255 HydrophobicContact CD2-CB 3.91Å; F243-W255 AromaticContact CD2-CD1 3.69Å; F243-W255 HydrophobicContact CD2-CG 4.02Å; F243-W255 HydrophobicContact CE1-CB 3.29Å; F243-W255 HydrophobicContact CE1-CG 4.03Å; F243-W255 HydrophobicContact CE2-CB 3.52Å; F243-W255 AromaticContact CE2-CD1 3.22Å; F243-W255 HydrophobicContact CE2-CD2 4.19Å; F243-W255 AromaticContact CE2-CG 3.37Å; F243-W255 HydrophobicContact CE2-CG 3.37Å; F243-W255 AromaticContact CE2-NE1 3.94Å; F243-W255 HydrophobicContact CG-CB 4Å; F243-W255 HydrophobicContact CZ-CB 3.19Å; F243-W255 AromaticContact CZ-CD1 3.77Å; F243-W255 HydrophobicContact CZ-CD2 4.03Å; F243-W255 AromaticContact CZ-CG 3.37Å; F243-W255 HydrophobicContact CZ-CG 3.37Å; F243-W255 PolarHBondContact N-O 2.8Å; F243-W255 PolarHBondContact O-N 3.35Å; S245-W255 PolarHBondContact OG-NE1 2.93Å; M253-W255 HydrophobicContact CB-CZ2 4.29Å; M253-W255 HydrophobicContact SD-CH2 4.43Å; M253-W255 HydrophobicContact SD-CZ2 3.66Å; W255-T262 WeakPolarHBondContact CZ3-O 3.45Å; W255-P265 HydrophobicContact CD2-CB 3.79Å; W255-P265 HydrophobicContact CE3-CB 3.88Å; W255-P265 HydrophobicContact CG-CB 4.38Å; W255-P265 HydrophobicContact CH2-CB 4.16Å; W255-P265 HydrophobicContact CZ2-CB 4.06Å; W255-P265 HydrophobicContact CZ3-CB 4.06Å
256D98.6Very high98.2Very high25 Ų2552.4 Ų52.413%0.13427%0.274CS..EExtended strand (participates in β ladder)trans-132.4117.6173.3-170.7-32000109S241 L242 R258 S259 S266S241-D256 WeakPolarHBondContact O-CA 3.36Å; L242-D256 HydrophobicContact CD2-CB 3.94Å; D256-R258 PolarHBondContact O-N 3.14Å; D256-R258 VanDerWaalsContact O-N 3.13Å; D256-R258 VanDerWaalsContact OD1-CB 3.23Å; D256-R258 WeakPolarHBondContact OD1-CB 3.17Å; D256-R258 WeakPolarHBondContact OD1-CG 3.34Å; D256-R258 IonicContact OD1-CZ 3.87Å; D256-R258 PolarHBondContact OD1-N 3.39Å; D256-R258 IonicContact OD1-NE 3.34Å; D256-R258 PolarHBondContact OD1-NE 3.02Å; D256-R258 IonicContact OD1-NH2 3.18Å; D256-R258 IonicContact OD2-CZ 2.66Å; D256-R258 IonicContact OD2-NE 3.06Å; D256-R258 PolarHBondContact OD2-NE 3.35Å; D256-R258 IonicContact OD2-NH2 2.78Å; D256-R258 PolarHBondContact OD2-NH2 2.89Å; D256-S259 VanDerWaalsContact O-CB 3.24Å; D256-S259 WeakPolarHBondContact O-CB 3.2Å; D256-S259 PolarHBondContact O-N 3.33Å; D256-S266 WeakPolarHBondContact CB-OG 3.29Å
257T98.3Very high98.2Very high47 Ų4757.4 Ų57.429%0.28830%0.297SS..THydrogen-bonded Turntrans-65.3-15.1-177.761.10000113.7M204 W235 S241 F243 S259M204-T257 HydrophobicContact SD-CG2 3.96Å; W235-T257 HydrophobicContact CH2-CG2 3.64Å; W235-T257 HydrophobicContact CZ3-CG2 3.84Å; S241-T257 WeakPolarHBondContact CA-OG1 3.46Å; S241-T257 WeakPolarHBondContact CB-OG1 3.49Å; S241-T257 PolarHBondContact O-N 3.27Å; S241-T257 PolarHBondContact O-OG1 2.87Å; F243-T257 HydrophobicContact CD1-CG2 4.25Å; F243-T257 HydrophobicContact CE1-CG2 4.09Å; T257-S259 VanDerWaalsContact C-N 3.27Å
258R97.9Very high98.2Very high172 Ų17260 Ų6065%0.64932%0.318SS*.THydrogen-bonded Turntrans-79.4-14.4176.3-54.6169.3-64.3-1740.3111.9D256D256-R258 PolarHBondContact O-N 3.14Å; D256-R258 VanDerWaalsContact O-N 3.13Å; D256-R258 VanDerWaalsContact OD1-CB 3.23Å; D256-R258 WeakPolarHBondContact OD1-CB 3.17Å; D256-R258 WeakPolarHBondContact OD1-CG 3.34Å; D256-R258 IonicContact OD1-CZ 3.87Å; D256-R258 PolarHBondContact OD1-N 3.39Å; D256-R258 IonicContact OD1-NE 3.34Å; D256-R258 PolarHBondContact OD1-NE 3.02Å; D256-R258 IonicContact OD1-NH2 3.18Å; D256-R258 IonicContact OD2-CZ 2.66Å; D256-R258 IonicContact OD2-NE 3.06Å; D256-R258 PolarHBondContact OD2-NE 3.35Å; D256-R258 IonicContact OD2-NH2 2.78Å; D256-R258 PolarHBondContact OD2-NH2 2.89Å
259S97.4Very high98.1Very high50 Ų5058.7 Ų58.735%0.3531%0.312SS..  trans-70.6132.8173179.70000110.6D256 T257 N261D256-S259 VanDerWaalsContact O-CB 3.24Å; D256-S259 WeakPolarHBondContact O-CB 3.2Å; D256-S259 PolarHBondContact O-N 3.33Å; T257-S259 VanDerWaalsContact C-N 3.27Å; S259-N261 PolarHBondContact O-N 3.36Å; S259-N261 PolarHBondContact OG-N 2.75Å; S259-N261 VanDerWaalsContact OG-N 3.15Å; S259-N261 PolarHBondContact OG-O 2.96Å
260N95Very high98.1Very high171 Ų17163 Ų6391%0.91434%0.335SS*.SBendtrans-76.4-7.9172-68.1-37.5000113
261N97.1Very high98.1Very high73 Ų7359.6 Ų59.639%0.3932%0.32SS..  trans-102.3107.8180-170.5-17.4000110.2S259 S263 K264S259-N261 PolarHBondContact O-N 3.36Å; S259-N261 PolarHBondContact OG-N 2.75Å; S259-N261 VanDerWaalsContact OG-N 3.15Å; S259-N261 PolarHBondContact OG-O 2.96Å; N261-S263 PolarHBondContact OD1-N 2.93Å; N261-S263 PolarHBondContact OD1-OG 2.83Å; N261-S263 VanDerWaalsContact OD1-OG 3.08Å; N261-K264 PolarHBondContact OD1-N 3.26Å
262T97.6Very high98.1Very high47 Ų4757.5 Ų57.529%0.28831%0.311SS..SBendtrans-92.2-6.7-178.865.70000113T221 I222 F223 T224 W255T221-T262 HydrophobicContact CG2-CG2 3.48Å; T221-T262 VanDerWaalsContact CG2-CG2 3.48Å; I222-T262 WeakPolarHBondContact O-CB 3.23Å; I222-T262 PolarHBondContact O-OG1 3.22Å; F223-T262 CarbonylContact C-O 3.59Å; F223-T262 WeakPolarHBondContact CA-O 3.3Å; F223-T262 HydrophobicContact CD1-CG2 4.33Å; F223-T262 HydrophobicContact CE1-CG2 4.37Å; T224-T262 PolarHBondContact N-O 3.21Å; W255-T262 WeakPolarHBondContact CZ3-O 3.45Å
263S97.9Very high98Very high67 Ų6762.9 Ų62.947%0.46934%0.344SS..SBendtrans-99.32.1177.177.80000112.9T224 N261T224-S263 WeakPolarHBondContact OG1-CB 3.24Å; N261-S263 PolarHBondContact OD1-N 2.93Å; N261-S263 PolarHBondContact OD1-OG 2.83Å; N261-S263 VanDerWaalsContact OD1-OG 3.08Å
264K98Very high98Very high143 Ų14363.3 Ų63.362%0.62235%0.349SS*.SBendtrans-140.5119.4179.2-174.1-179.3177-1790110.4N261N261-K264 PolarHBondContact OD1-N 3.26Å
265P98.4Very high98Very high20 Ų2066.8 Ų66.813%0.1337%0.365CS..  trans-71.7165.1176.633.8-39.6000111.8M253 I254 W255 H267 A268M253-P265 HydrophobicContact CB-CB 3.94Å; M253-P265 HydrophobicContact CB-CG 4.09Å; M253-P265 HydrophobicContact CG-CB 4.38Å; M253-P265 HydrophobicContact CG-CG 3.96Å; M253-P265 HydrophobicContact SD-CB 4.33Å; M253-P265 HydrophobicContact SD-CG 3.71Å; I254-P265 WeakPolarHBondContact O-CB 3.24Å; W255-P265 HydrophobicContact CD2-CB 3.79Å; W255-P265 HydrophobicContact CE3-CB 3.88Å; W255-P265 HydrophobicContact CG-CB 4.38Å; W255-P265 HydrophobicContact CH2-CB 4.16Å; W255-P265 HydrophobicContact CZ2-CB 4.06Å; W255-P265 HydrophobicContact CZ3-CB 4.06Å; P265-H267 WeakPolarHBondContact CB-O 3.39Å; P265-A268 HydrophobicContact CG-CB 3.88Å
266S98.3Very high98Very high62 Ų6266.7 Ų66.743%0.43436%0.364SS..SBendtrans-65.9-41.9173-62.80000110.9I254 D256I254-S266 WeakPolarHBondContact O-CB 3.28Å; I254-S266 PolarHBondContact O-N 3.38Å; D256-S266 WeakPolarHBondContact CB-OG 3.29Å
267H98.4Very high98Very high105 Ų10566 Ų6649%0.48636%0.36SS..EExtended strand (participates in β ladder)trans-135.3145.2173-60.4-77.2000110.4M253 I254 P265 L306M253-H267 WeakPolarHBondContact CA-O 3.4Å; I254-H267 HydrophobicContact CB-CB 4.25Å; I254-H267 PolarHBondContact N-O 2.93Å; I254-H267 PolarHBondContact O-N 3.42Å; I254-H267 VanDerWaalsContact O-N 3.16Å; P265-H267 WeakPolarHBondContact CB-O 3.39Å; H267-L306 HydrophobicContact CB-CD1 3.74Å
268A98.2Very high98.1Very high54 Ų5463.7 Ų63.745%0.44635%0.347SS..EExtended strand (participates in β ladder)trans-139.6133.7170.400000108L252 M253 P265L252-A268 WeakPolarHBondContact O-CA 3.46Å; M253-A268 HydrophobicContact CG-CB 4.09Å; P265-A268 HydrophobicContact CG-CB 3.88Å
269V98Very high98.1Very high23 Ų2355.6 Ų55.614%0.13932%0.316CS..EExtended strand (participates in β ladder)trans-135140.1-178.4178.90000109.4K251 L252 A271 W301 L306K251-V269 VanDerWaalsContact CA-O 3.25Å; K251-V269 WeakPolarHBondContact CA-O 3.38Å; L252-V269 PolarHBondContact N-O 3.49Å; L252-V269 PolarHBondContact O-N 3.21Å; V269-A271 PolarHBondContact O-N 3.04Å; V269-A271 VanDerWaalsContact O-N 3.13Å; V269-W301 HydrophobicContact CG1-CH2 4.15Å; V269-W301 HydrophobicContact CG1-CZ3 4Å; V269-L306 WeakPolarHBondContact CG1-O 3.44Å; V269-L306 HydrophobicContact CG2-CB 3.62Å; V269-L306 WeakPolarHBondContact CG2-O 3.16Å
270D98.3Very high98.2Very high114 Ų11453.8 Ų53.861%0.6130%0.303SS*.EExtended strand (participates in β ladder)trans-70.899.4166.6-56.4-48.4000107.4K251K251-D270 IonicContact NZ-OD1 2.68Å; K251-D270 PolarHBondContact NZ-OD1 2.8Å
271A97.9Very high98.4Very high3 Ų345.9 Ų45.93%0.02526%0.261CS..  trans-85.7-38.6-164.600000112.4Q250 L252 V269 V276 W301 K309Q250-A271 PolarHBondContact O-N 3.46Å; L252-A271 HydrophobicContact CB-CB 3.8Å; V269-A271 PolarHBondContact O-N 3.04Å; V269-A271 VanDerWaalsContact O-N 3.13Å; A271-V276 HydrophobicContact CB-CG2 4.37Å; A271-W301 HydrophobicContact CB-CH2 4.18Å; A271-W301 HydrophobicContact CB-CZ2 3.62Å; A271-W301 WeakPolarHBondContact O-CZ2 3.43Å; A271-K309 WeakPolarHBondContact O-CE 3.44Å; A271-K309 PolarHBondContact O-NZ 2.86Å
272H98.7Very high98.4Very high11 Ų1142.7 Ų42.75%0.05124%0.244CC..  trans-141.1173-170.8-77.1-88.3000111.1V276 S291 S293 D295 T297 A299H272-V276 HydrophobicContact CB-CG2 3.67Å; H272-S291 PolarHBondContact NE2-O 2.88Å; H272-S291 PolarHBondContact NE2-OG 2.88Å; H272-S293 WeakPolarHBondContact CB-OG 3.49Å; H272-S293 VanDerWaalsContact CG-CB 3.41Å; H272-S293 WeakPolarHBondContact ND1-CB 3.44Å; H272-D295 WeakPolarHBondContact CB-OD2 3.21Å; H272-D295 IonicContact CE1-OD1 3.29Å; H272-D295 IonicContact CG-OD2 2.73Å; H272-D295 IonicContact ND1-OD1 2.72Å; H272-D295 PolarHBondContact ND1-OD1 3.26Å; H272-D295 VanDerWaalsContact ND1-OD1 3.16Å; H272-D295 IonicContact ND1-OD2 3.86Å; H272-D295 PolarHBondContact ND1-OD2 2.88Å; H272-T297 PolarHBondContact CE1-O 3.41Å; H272-T297 PolarHBondContact CE1-OG1 2.91Å; H272-T297 PolarHBondContact ND1-OG1 3.16Å; H272-A299 WeakPolarHBondContact NE2-CB 3.38Å
273T98.4Very high98.5Very high116 Ų11642.9 Ų42.971%0.71225%0.246SC*.SBendtrans-94.6-2.8177.352.90000113.9Q250 D295Q250-T273 PolarHBondContact NE2-O 3.13Å; Q250-T273 VanDerWaalsContact NE2-O 3.15Å; T273-D295 PolarHBondContact N-OD2 3.02Å; T273-D295 WeakPolarHBondContact OG1-CB 3.37Å; T273-D295 PolarHBondContact OG1-OD2 3.13Å
274A98.7Very high98.5Very high16 Ų1644.8 Ų44.813%0.13224%0.243CC..SBendtrans-141.9-175.3177.300000109.8Q250 A294 D295Q250-A274 WeakPolarHBondContact CG-O 3.41Å; A274-A294 HydrophobicContact CB-CB 3.9Å; A274-D295 HydrophobicContact CB-CB 3.9Å
275E98.8Very high98.5Very high81 Ų8140 Ų4038%0.37923%0.228SC..  trans-53.2133.3178.7-63.280.3-179.600111.4D248 S293 A294D248-E275 HydrophobicContact CB-CG 3.97Å; D248-E275 WeakPolarHBondContact OD1-CG 3.25Å; E275-S293 CarbonylContact O-C 3.59Å; E275-S293 VanDerWaalsContact O-CA 3.31Å; E275-S293 WeakPolarHBondContact O-CA 3.38Å; E275-S293 WeakPolarHBondContact O-CB 3.47Å; E275-S293 PolarHBondContact O-OG 3.48Å; E275-A294 HydrophobicContact CB-CB 4.13Å; E275-A294 PolarHBondContact O-N 3.2Å
276V98.9Very high98.4Very high0 Ų042.5 Ų42.50%024%0.238CC..EExtended strand (participates in β ladder)trans-104.2108.3-179.1-170.50000108.9E231 V246 A247 A271 H272 G292E231-V276 WeakPolarHBondContact CB-O 3.18Å; V246-V276 CarbonylContact C-O 3.58Å; V246-V276 HydrophobicContact CB-CB 3.84Å; V246-V276 HydrophobicContact CB-CG1 3.53Å; V246-V276 WeakPolarHBondContact CB-O 3.46Å; V246-V276 HydrophobicContact CG1-CB 4.34Å; V246-V276 HydrophobicContact CG1-CG1 3.58Å; V246-V276 HydrophobicContact CG2-CG1 4.06Å; V246-V276 VanDerWaalsContact CG2-O 3.28Å; V246-V276 WeakPolarHBondContact CG2-O 3.23Å; A247-V276 PolarHBondContact N-O 2.75Å; A247-V276 PolarHBondContact O-N 3.2Å; A271-V276 HydrophobicContact CB-CG2 4.37Å; H272-V276 HydrophobicContact CB-CG2 3.67Å; V276-G292 WeakPolarHBondContact CG1-O 3.47Å
277N98.9Very high98.4Very high10 Ų1042.8 Ų42.85%0.05323%0.231CC..EExtended strand (participates in β ladder)trans-91.6-24.6-165.2-61.7-31.8000114D232 G292 I320 F321D232-N277 WeakPolarHBondContact CB-O 3.38Å; N277-G292 PolarHBondContact N-O 3.48Å; N277-I320 VanDerWaalsContact CB-O 3.29Å; N277-I320 WeakPolarHBondContact CB-O 3.39Å; N277-I320 PolarHBondContact ND2-O 2.84Å; N277-F321 HydrophobicContact CB-CD1 4.28Å
278C98.8Very high98.5Very high0 Ų039.1 Ų39.10%022%0.215CC..EExtended strand (participates in β ladder)trans-151.2154.2-17455.10000113.1S291 G292 F321 Q322 V323C278-S291 VanDerWaalsContact O-CA 3.27Å; C278-S291 WeakPolarHBondContact O-CA 3.4Å; C278-G292 PolarHBondContact N-O 2.81Å; C278-G292 PolarHBondContact O-N 2.9Å; C278-G292 VanDerWaalsContact SG-CA 3.58Å; C278-F321 WeakPolarHBondContact CB-O 3.28Å; C278-Q322 VanDerWaalsContact SG-C 3.52Å; C278-V323 HydrophobicContact CB-CG1 4.13Å
279L98.9Very high98.5Very high2 Ų236.6 Ų36.61%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-142.9149.7170.778.5159000112.2D232 G244 V246 L252 F281 L289 A290D232-L279 HydrophobicContact CB-CD2 3.83Å; D232-L279 PolarHBondContact OD2-N 2.91Å; G244-L279 VanDerWaalsContact C-CD1 3.46Å; V246-L279 HydrophobicContact CG1-CB 3.95Å; V246-L279 HydrophobicContact CG1-CD1 4.46Å; V246-L279 HydrophobicContact CG1-CD2 4.23Å; V246-L279 HydrophobicContact CG1-CG 4.43Å; V246-L279 HydrophobicContact CG2-CB 4.46Å; V246-L279 HydrophobicContact CG2-CD2 3.83Å; L252-L279 HydrophobicContact CD1-CD1 4.14Å; L279-F281 HydrophobicContact CD1-CE2 4.26Å; L279-L289 HydrophobicContact CD1-CD1 4.3Å; L279-A290 CarbonylContact C-O 3.54Å; L279-A290 VanDerWaalsContact CA-O 3.27Å; L279-A290 WeakPolarHBondContact CA-O 3.32Å
280S98.9Very high98.5Very high11 Ų1135.5 Ų35.58%0.07719%0.187CC..EExtended strand (participates in β ladder)trans-143128.4171.5-166.10000111.7L289 A290 V323 W325S280-L289 VanDerWaalsContact O-CA 3.3Å; S280-L289 WeakPolarHBondContact O-CA 3.47Å; S280-L289 WeakPolarHBondContact O-CB 3.28Å; S280-A290 PolarHBondContact N-O 2.99Å; S280-A290 PolarHBondContact O-N 3.01Å; S280-V323 WeakPolarHBondContact CB-O 3.27Å; S280-W325 PolarHBondContact O-NE1 2.85Å
281F98.9Very high98.6Very high6 Ų630 Ų303%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-73.5143.2167.4-72.8-85.3000110.1S234 W235 H236 L237 I254 L279 L289 L303 W325S234-F281 VanDerWaalsContact O-CE2 3.3Å; S234-F281 WeakPolarHBondContact O-CE2 3.48Å; W235-F281 WeakPolarHBondContact O-CD2 3.49Å; H236-F281 HydrophobicContact CB-CE1 4.47Å; H236-F281 AromaticContact CD2-CD1 3.79Å; H236-F281 AromaticContact CD2-CE1 3.8Å; L237-F281 HydrophobicContact CD1-CB 4.33Å; L237-F281 HydrophobicContact CG-CB 4.27Å; I254-F281 HydrophobicContact CD1-CZ 4.25Å; L279-F281 HydrophobicContact CD1-CE2 4.26Å; F281-L289 HydrophobicContact CD1-CB 3.9Å; F281-L289 HydrophobicContact CE1-CB 4.19Å; F281-L289 HydrophobicContact CE1-CD1 4.47Å; F281-L289 HydrophobicContact CE1-CD2 4.09Å; F281-L289 HydrophobicContact CE1-CG 4.48Å; F281-L289 HydrophobicContact CG-CB 4.31Å; F281-L289 HydrophobicContact CZ-CD1 4.47Å; F281-L303 HydrophobicContact CE1-CD1 4.08Å; F281-L303 HydrophobicContact CE1-CD2 4.34Å; F281-W325 VanDerWaalsContact C-CD1 3.41Å
282N98.8Very high98.6Very high6 Ų629.9 Ų29.93%0.03216%0.157CC..  trans-73.9129.7174.2-173.5-56.5000109.6Y284 S285 I288 W325 E330N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 PolarHBondContact O-N 2.9Å; N282-Y284 WeakPolarHBondContact OD1-CA 3.27Å; N282-Y284 WeakPolarHBondContact OD1-CB 3.24Å; N282-Y284 PolarHBondContact OD1-N 2.86Å; N282-S285 PolarHBondContact OD1-N 2.89Å; N282-I288 HydrophobicContact CB-CB 4.04Å; N282-I288 HydrophobicContact CB-CG2 4.21Å; N282-I288 WeakPolarHBondContact CB-O 3.29Å; N282-I288 PolarHBondContact N-O 3.38Å; N282-W325 HydrophobicContact CB-CD2 3.9Å; N282-W325 HydrophobicContact CB-CE3 4.39Å; N282-W325 HydrophobicContact CB-CG 4.19Å; N282-W325 HydrophobicContact CB-CZ2 4.19Å; N282-W325 WeakPolarHBondContact ND2-CZ3 3.46Å; N282-E330 PolarHBondContact ND2-O 2.82Å
283P97.9Very high98.6Very high50 Ų5029.4 Ų29.433%0.32516%0.155SC..SBendtrans-70.9-19.2-178.924.6-30000114.5L237 W325L237-P283 VanDerWaalsContact CD1-CA 3.47Å; L237-P283 HydrophobicContact CD1-CB 3.79Å; P283-W325 HydrophobicContact CG-CB 4.36Å
284Y98.1Very high98.6Very high108 Ų10824.5 Ų24.542%0.42413%0.126SC..SBendtrans-104.5-36.6-176.7-63-77.2000112.6N282 P327 H328 E330N282-Y284 VanDerWaalsContact C-N 3.27Å; N282-Y284 PolarHBondContact O-N 2.9Å; N282-Y284 WeakPolarHBondContact OD1-CA 3.27Å; N282-Y284 WeakPolarHBondContact OD1-CB 3.24Å; N282-Y284 PolarHBondContact OD1-N 2.86Å; Y284-P327 VanDerWaalsContact OH-C 3.26Å; Y284-P327 PolarHBondContact OH-O 3.07Å; Y284-H328 VanDerWaalsContact OH-CA 3.29Å; Y284-H328 WeakPolarHBondContact OH-CA 3.42Å; Y284-H328 PolarHBondContact OH-O 3.14Å; Y284-E330 VanDerWaalsContact CB-CB 3.49Å; Y284-E330 HydrophobicContact CD2-CB 3.85Å; Y284-E330 HydrophobicContact CG-CB 3.78Å
285S97.8Very high98.6Very high42 Ų4225.1 Ų25.129%0.29413%0.127SC..  trans-105.9104-177-74.50000112.2N282 F287 I288N282-S285 PolarHBondContact OD1-N 2.89Å; S285-F287 PolarHBondContact O-N 3.15Å; S285-I288 PolarHBondContact O-N 3.39Å; S285-I288 VanDerWaalsContact O-N 3.08Å
286E97.8Very high98.6Very high73 Ų7325.7 Ų25.734%0.34113%0.128SC..THydrogen-bonded Turntrans-60.7-19.6-172.976.4172.6139.800115.6H236 L238 H239H236-E286 PolarHBondContact NE2-O 3.39Å; L238-E286 HydrophobicContact CD1-CB 3.78Å; H239-E286 IonicContact CE1-OE2 2.74Å; H239-E286 IonicContact NE2-OE2 2.63Å; H239-E286 PolarHBondContact NE2-OE2 2.93Å
287F98.4Very high98.6Very high68 Ų6826.5 Ų26.530%0.29813%0.133SC..THydrogen-bonded Turntrans-101.7-6.5-178.6-59.2-62000113.4S285 D302 L303 R304S285-F287 PolarHBondContact O-N 3.15Å; F287-D302 CarbonylContact O-C 3.59Å; F287-D302 WeakPolarHBondContact O-CA 3.22Å; F287-L303 HydrophobicContact CB-CB 4.5Å; F287-L303 HydrophobicContact CD1-CB 4.35Å; F287-L303 PolarHBondContact O-N 3.3Å; F287-R304 HydrophobicContact CB-CG 4.36Å; F287-R304 HydrophobicContact CD1-CG 3.6Å; F287-R304 HydrophobicContact CD2-CG 4.41Å; F287-R304 HydrophobicContact CE1-CG 3.97Å; F287-R304 HydrophobicContact CG-CG 3.85Å
288I98.8Very high98.6Very high28 Ų2826 Ų2614%0.14413%0.131CC..EExtended strand (participates in β ladder)trans-103.3132.3-169.4-57.5-58.4000110.2N282 S285 L300 W301 L310 W325N282-I288 HydrophobicContact CB-CB 4.04Å; N282-I288 HydrophobicContact CB-CG2 4.21Å; N282-I288 WeakPolarHBondContact CB-O 3.29Å; N282-I288 PolarHBondContact N-O 3.38Å; S285-I288 PolarHBondContact O-N 3.39Å; S285-I288 VanDerWaalsContact O-N 3.08Å; I288-L300 HydrophobicContact CG2-CD1 3.64Å; I288-L300 HydrophobicContact CG2-CG 4.39Å; I288-W301 WeakPolarHBondContact CA-O 3.41Å; I288-L310 HydrophobicContact CD1-CD1 3.87Å; I288-W325 HydrophobicContact CG2-CH2 3.98Å; I288-W325 HydrophobicContact CG2-CZ2 3.72Å
289L98.8Very high98.6Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-140.3160.9165.771.9142.6000110.6L252 L279 S280 F281 W301 L303L252-L289 HydrophobicContact CD1-CD1 3.94Å; L252-L289 HydrophobicContact CD2-CD1 3.89Å; L279-L289 HydrophobicContact CD1-CD1 4.3Å; S280-L289 VanDerWaalsContact O-CA 3.3Å; S280-L289 WeakPolarHBondContact O-CA 3.47Å; S280-L289 WeakPolarHBondContact O-CB 3.28Å; F281-L289 HydrophobicContact CD1-CB 3.9Å; F281-L289 HydrophobicContact CE1-CB 4.19Å; F281-L289 HydrophobicContact CE1-CD1 4.47Å; F281-L289 HydrophobicContact CE1-CD2 4.09Å; F281-L289 HydrophobicContact CE1-CG 4.48Å; F281-L289 HydrophobicContact CG-CB 4.31Å; F281-L289 HydrophobicContact CZ-CD1 4.47Å; L289-W301 HydrophobicContact CD2-CB 3.96Å; L289-W301 HydrophobicContact CG-CB 4.04Å; L289-W301 PolarHBondContact N-O 3.03Å; L289-W301 PolarHBondContact O-N 3.16Å; L289-L303 HydrophobicContact CD2-CD2 3.59Å; L289-L303 HydrophobicContact CD2-CG 3.87Å
290A98.9Very high98.6Very high0 Ų026.6 Ų26.60%013%0.134CC..EExtended strand (participates in β ladder)trans-118.1150.3173.500000110.3L279 S280 V298 A299 V323 W325L279-A290 CarbonylContact C-O 3.54Å; L279-A290 VanDerWaalsContact CA-O 3.27Å; L279-A290 WeakPolarHBondContact CA-O 3.32Å; S280-A290 PolarHBondContact N-O 2.99Å; S280-A290 PolarHBondContact O-N 3.01Å; A290-V298 HydrophobicContact CB-CG1 3.99Å; A290-A299 CarbonylContact C-O 3.58Å; A290-A299 VanDerWaalsContact CA-O 3.27Å; A290-A299 WeakPolarHBondContact CA-O 3.41Å; A290-V323 HydrophobicContact CB-CG2 4.04Å; A290-W325 HydrophobicContact CB-CZ2 4.09Å
291S98.9Very high98.6Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-130.9136.7170.159.30000111H272 C278 V298 A299 W301H272-S291 PolarHBondContact NE2-O 2.88Å; H272-S291 PolarHBondContact NE2-OG 2.88Å; C278-S291 VanDerWaalsContact O-CA 3.27Å; C278-S291 WeakPolarHBondContact O-CA 3.4Å; S291-V298 CarbonylContact O-C 3.57Å; S291-V298 VanDerWaalsContact O-CA 3.29Å; S291-V298 WeakPolarHBondContact O-CA 3.44Å; S291-V298 WeakPolarHBondContact O-CG1 3.25Å; S291-A299 PolarHBondContact N-O 2.88Å; S291-A299 PolarHBondContact O-N 2.89Å; S291-W301 PolarHBondContact OG-NE1 2.88Å
292G98.8Very high98.6Very high0 Ų026.9 Ų26.90%013%0.134CC..EExtended strand (participates in β ladder)trans-109.6149.1175.600000111.6V276 N277 C278V276-G292 WeakPolarHBondContact CG1-O 3.47Å; N277-G292 PolarHBondContact N-O 3.48Å; C278-G292 PolarHBondContact N-O 2.81Å; C278-G292 PolarHBondContact O-N 2.9Å; C278-G292 VanDerWaalsContact SG-CA 3.58Å
293S98.9Very high98.6Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-143.4160.3-165.5170.10000113.6H272 E275 D295 K296 T297 I320H272-S293 WeakPolarHBondContact CB-OG 3.49Å; H272-S293 VanDerWaalsContact CG-CB 3.41Å; H272-S293 WeakPolarHBondContact ND1-CB 3.44Å; E275-S293 CarbonylContact O-C 3.59Å; E275-S293 VanDerWaalsContact O-CA 3.31Å; E275-S293 WeakPolarHBondContact O-CA 3.38Å; E275-S293 WeakPolarHBondContact O-CB 3.47Å; E275-S293 PolarHBondContact O-OG 3.48Å; S293-D295 VanDerWaalsContact CB-OD1 3.29Å; S293-D295 WeakPolarHBondContact CB-OD1 3.45Å; S293-D295 PolarHBondContact O-N 3.34Å; S293-D295 PolarHBondContact OG-N 3.37Å; S293-D295 PolarHBondContact OG-OD1 3.08Å; S293-D295 PolarHBondContact OG-OD2 3.21Å; S293-K296 PolarHBondContact O-N 2.98Å; S293-T297 PolarHBondContact N-O 3.31Å; S293-I320 PolarHBondContact O-N 3.44Å; S293-I320 VanDerWaalsContact O-N 3.14Å
294A98.8Very high98.6Very high13 Ų1333.8 Ų33.811%0.10716%0.155CC..THydrogen-bonded Turntrans-64-14.3168.500000113.1A274 E275 K296 E319A274-A294 HydrophobicContact CB-CB 3.9Å; E275-A294 HydrophobicContact CB-CB 4.13Å; E275-A294 PolarHBondContact O-N 3.2Å; A294-K296 PolarHBondContact O-N 3.24Å; A294-E319 HydrophobicContact CB-CB 4.32Å; A294-E319 HydrophobicContact CB-CG 3.81Å
295D98.6Very high98.5Very high29 Ų2932.1 Ų32.116%0.15515%0.154CC..THydrogen-bonded Turntrans-76.46.8172.37213.7000114.1H272 T273 A274 S293 T297H272-D295 WeakPolarHBondContact CB-OD2 3.21Å; H272-D295 IonicContact CE1-OD1 3.29Å; H272-D295 IonicContact CG-OD2 2.73Å; H272-D295 IonicContact ND1-OD1 2.72Å; H272-D295 PolarHBondContact ND1-OD1 3.26Å; H272-D295 VanDerWaalsContact ND1-OD1 3.16Å; H272-D295 IonicContact ND1-OD2 3.86Å; H272-D295 PolarHBondContact ND1-OD2 2.88Å; T273-D295 PolarHBondContact N-OD2 3.02Å; T273-D295 WeakPolarHBondContact OG1-CB 3.37Å; T273-D295 PolarHBondContact OG1-OD2 3.13Å; A274-D295 HydrophobicContact CB-CB 3.9Å; S293-D295 VanDerWaalsContact CB-OD1 3.29Å; S293-D295 WeakPolarHBondContact CB-OD1 3.45Å; S293-D295 PolarHBondContact O-N 3.34Å; S293-D295 PolarHBondContact OG-N 3.37Å; S293-D295 PolarHBondContact OG-OD1 3.08Å; S293-D295 PolarHBondContact OG-OD2 3.21Å; D295-T297 PolarHBondContact O-N 2.89Å; D295-T297 WeakPolarHBondContact OD1-CB 3.29Å; D295-T297 PolarHBondContact OD1-N 2.61Å; D295-T297 VanDerWaalsContact OD1-N 3.08Å; D295-T297 PolarHBondContact OD1-OG1 2.64Å
296K98.8Very high98.5Very high93 Ų9330.7 Ų30.740%0.40414%0.143SC..SBendtrans70.913.7175.9-43.2172.8179.3-162.50113.8S293 A294 K317S293-K296 PolarHBondContact O-N 2.98Å; A294-K296 PolarHBondContact O-N 3.24Å; K296-K317 WeakPolarHBondContact CD-O 3.4Å; K296-K317 VanDerWaalsContact CE-O 3.32Å; K296-K317 WeakPolarHBondContact CE-O 3.41Å; K296-K317 PolarHBondContact NZ-O 2.77Å
297T98.8Very high98.4Very high18 Ų1835.9 Ų35.911%0.1116%0.164CC..EExtended strand (participates in β ladder)trans-116.1148.9178.873.40000111.9H272 S293 D295 F313 E314 I320H272-T297 PolarHBondContact CE1-O 3.41Å; H272-T297 PolarHBondContact CE1-OG1 2.91Å; H272-T297 PolarHBondContact ND1-OG1 3.16Å; S293-T297 PolarHBondContact N-O 3.31Å; D295-T297 PolarHBondContact O-N 2.89Å; D295-T297 WeakPolarHBondContact OD1-CB 3.29Å; D295-T297 PolarHBondContact OD1-N 2.61Å; D295-T297 VanDerWaalsContact OD1-N 3.08Å; D295-T297 PolarHBondContact OD1-OG1 2.64Å; T297-F313 WeakPolarHBondContact CA-O 2.98Å; T297-E314 HydrophobicContact CG2-CG 4Å; T297-I320 VanDerWaalsContact C-CD1 3.47Å; T297-I320 WeakPolarHBondContact O-CD1 3.31Å
298V98.9Very high98.3Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-99.4129.1160-176.50000107.9A290 S291 F313 I320 V323 L333A290-V298 HydrophobicContact CB-CG1 3.99Å; S291-V298 CarbonylContact O-C 3.57Å; S291-V298 VanDerWaalsContact O-CA 3.29Å; S291-V298 WeakPolarHBondContact O-CA 3.44Å; S291-V298 WeakPolarHBondContact O-CG1 3.25Å; V298-F313 HydrophobicContact CB-CB 4.05Å; V298-F313 HydrophobicContact CB-CD2 3.85Å; V298-F313 HydrophobicContact CB-CG 4.37Å; V298-F313 HydrophobicContact CG1-CD2 3.95Å; V298-F313 PolarHBondContact N-O 2.83Å; V298-F313 WeakPolarHBondContact O-CD2 3.41Å; V298-F313 PolarHBondContact O-N 3.05Å; V298-I320 HydrophobicContact CG2-CD1 3.79Å; V298-V323 HydrophobicContact CG1-CG2 4.07Å; V298-L333 HydrophobicContact CG1-CD1 4.17Å
299A98.8Very high98.2Very high0 Ų040.4 Ų40.40%019%0.188CC..EExtended strand (participates in β ladder)trans-101.8137.4175.400000111.2H272 A290 S291 W301 K309H272-A299 WeakPolarHBondContact NE2-CB 3.38Å; A290-A299 CarbonylContact C-O 3.58Å; A290-A299 VanDerWaalsContact CA-O 3.27Å; A290-A299 WeakPolarHBondContact CA-O 3.41Å; S291-A299 PolarHBondContact N-O 2.88Å; S291-A299 PolarHBondContact O-N 2.89Å; A299-W301 HydrophobicContact CB-CZ2 3.78Å; A299-K309 HydrophobicContact CB-CD 3.74Å; A299-K309 HydrophobicContact CB-CG 4.07Å
300L98.9Very high98.2Very high13 Ų1344.7 Ų44.77%0.06821%0.21CC..EExtended strand (participates in β ladder)trans-99.6135.5173.6-166.167.3000110.8I288 L310 H311 F313 W325I288-L300 HydrophobicContact CG2-CD1 3.64Å; I288-L300 HydrophobicContact CG2-CG 4.39Å; L300-L310 HydrophobicContact CB-CB 4.17Å; L300-L310 HydrophobicContact CD2-CB 4.25Å; L300-L310 HydrophobicContact CD2-CD1 4.22Å; L300-L310 HydrophobicContact CG-CB 4.25Å; L300-L310 HydrophobicContact CG-CD1 4.18Å; L300-L310 WeakPolarHBondContact O-CB 3.37Å; L300-L310 PolarHBondContact O-N 3.05Å; L300-H311 HydrophobicContact CB-CB 4.03Å; L300-H311 HydrophobicContact CD2-CB 4.35Å; L300-H311 PolarHBondContact N-O 3.1Å; L300-F313 HydrophobicContact CB-CE2 3.99Å; L300-F313 HydrophobicContact CD1-CE2 4.43Å; L300-F313 HydrophobicContact CD2-CZ 4.5Å; L300-W325 HydrophobicContact CD1-CH2 3.77Å; L300-W325 HydrophobicContact CD1-CZ2 3.69Å
301W98.9Very high98.2Very high5 Ų546.9 Ų46.92%0.01922%0.22CC..EExtended strand (participates in β ladder)trans-129147.2-173.8-57.797.6000113.1L252 V269 A271 I288 L289 S291 A299 L306 K309L252-W301 HydrophobicContact CD2-CD2 4.13Å; L252-W301 HydrophobicContact CD2-CG 3.95Å; V269-W301 HydrophobicContact CG1-CH2 4.15Å; V269-W301 HydrophobicContact CG1-CZ3 4Å; A271-W301 HydrophobicContact CB-CH2 4.18Å; A271-W301 HydrophobicContact CB-CZ2 3.62Å; A271-W301 WeakPolarHBondContact O-CZ2 3.43Å; I288-W301 WeakPolarHBondContact CA-O 3.41Å; L289-W301 HydrophobicContact CD2-CB 3.96Å; L289-W301 HydrophobicContact CG-CB 4.04Å; L289-W301 PolarHBondContact N-O 3.03Å; L289-W301 PolarHBondContact O-N 3.16Å; S291-W301 PolarHBondContact OG-NE1 2.88Å; A299-W301 HydrophobicContact CB-CZ2 3.78Å; W301-L306 HydrophobicContact CB-CD2 3.97Å; W301-L306 WeakPolarHBondContact CZ3-O 3.24Å; W301-K309 HydrophobicContact CH2-CB 4Å; W301-K309 HydrophobicContact CH2-CG 4.33Å; W301-K309 HydrophobicContact CZ2-CG 4.46Å; W301-K309 HydrophobicContact CZ3-CB 3.95Å
302D98.6Very high98.2Very high19 Ų1948.2 Ų48.210%0.10223%0.23CC..EExtended strand (participates in β ladder)trans-110.6118.2167.9-168.7-37.2000110F287 R304 N305 L306 L310F287-D302 CarbonylContact O-C 3.59Å; F287-D302 WeakPolarHBondContact O-CA 3.22Å; D302-R304 PolarHBondContact O-N 3.18Å; D302-R304 VanDerWaalsContact O-N 3.08Å; D302-R304 WeakPolarHBondContact OD1-CB 3.35Å; D302-R304 VanDerWaalsContact OD1-CG 3.28Å; D302-R304 WeakPolarHBondContact OD1-CG 3.39Å; D302-R304 IonicContact OD1-CZ 3.66Å; D302-R304 PolarHBondContact OD1-N 2.96Å; D302-R304 IonicContact OD1-NE 2.99Å; D302-R304 PolarHBondContact OD1-NE 3.32Å; D302-R304 IonicContact OD1-NH2 3.11Å; D302-R304 IonicContact OD2-CZ 2.9Å; D302-R304 VanDerWaalsContact OD2-CZ 3.29Å; D302-R304 IonicContact OD2-NE 3.71Å; D302-R304 PolarHBondContact OD2-NE 2.89Å; D302-R304 VanDerWaalsContact OD2-NE 3.11Å; D302-R304 IonicContact OD2-NH2 2.92Å; D302-R304 PolarHBondContact OD2-NH2 3.3Å; D302-N305 CarbonylContact O-C 3.5Å; D302-N305 PolarHBondContact O-N 2.92Å; D302-L306 WeakPolarHBondContact O-CD2 3.27Å; D302-L306 PolarHBondContact O-N 2.91Å; D302-L306 VanDerWaalsContact O-N 3.15Å; D302-L310 HydrophobicContact CB-CD1 3.92Å; D302-L310 HydrophobicContact CB-CD2 4.17Å; D302-L310 HydrophobicContact CB-CG 4.1Å
303L97.9Very high98.2Very high30 Ų3048.2 Ų48.216%0.15723%0.23CC..G310 helixtrans-56-26.5178.1-73178.3000113.4I254 F281 F287 L289 N305 L306I254-L303 HydrophobicContact CD1-CD2 3.81Å; I254-L303 HydrophobicContact CG1-CD2 3.85Å; I254-L303 HydrophobicContact CG2-CD2 4.48Å; F281-L303 HydrophobicContact CE1-CD1 4.08Å; F281-L303 HydrophobicContact CE1-CD2 4.34Å; F287-L303 HydrophobicContact CB-CB 4.5Å; F287-L303 HydrophobicContact CD1-CB 4.35Å; F287-L303 PolarHBondContact O-N 3.3Å; L289-L303 HydrophobicContact CD2-CD2 3.59Å; L289-L303 HydrophobicContact CD2-CG 3.87Å; L303-N305 VanDerWaalsContact C-N 3.31Å; L303-L306 HydrophobicContact CD2-CD1 4.32Å; L303-L306 HydrophobicContact CD2-CD2 4.28Å
304R97.9Very high98.1Very high170 Ų17054 Ų5464%0.64226%0.256SS*.G310 helixtrans-74-24.8179.8-55.1170.2-65.8-173.62.4111.9F287 D302F287-R304 HydrophobicContact CB-CG 4.36Å; F287-R304 HydrophobicContact CD1-CG 3.6Å; F287-R304 HydrophobicContact CD2-CG 4.41Å; F287-R304 HydrophobicContact CE1-CG 3.97Å; F287-R304 HydrophobicContact CG-CG 3.85Å; D302-R304 PolarHBondContact O-N 3.18Å; D302-R304 VanDerWaalsContact O-N 3.08Å; D302-R304 WeakPolarHBondContact OD1-CB 3.35Å; D302-R304 VanDerWaalsContact OD1-CG 3.28Å; D302-R304 WeakPolarHBondContact OD1-CG 3.39Å; D302-R304 IonicContact OD1-CZ 3.66Å; D302-R304 PolarHBondContact OD1-N 2.96Å; D302-R304 IonicContact OD1-NE 2.99Å; D302-R304 PolarHBondContact OD1-NE 3.32Å; D302-R304 IonicContact OD1-NH2 3.11Å; D302-R304 IonicContact OD2-CZ 2.9Å; D302-R304 VanDerWaalsContact OD2-CZ 3.29Å; D302-R304 IonicContact OD2-NE 3.71Å; D302-R304 PolarHBondContact OD2-NE 2.89Å; D302-R304 VanDerWaalsContact OD2-NE 3.11Å; D302-R304 IonicContact OD2-NH2 2.92Å; D302-R304 PolarHBondContact OD2-NH2 3.3Å
305N97.5Very high98.1Very high74 Ų7455 Ų5540%0.39626%0.263SS..G310 helixtrans-149.571.6176.2-174.522.8000112.4D302 L303 K307 L308D302-N305 CarbonylContact O-C 3.5Å; D302-N305 PolarHBondContact O-N 2.92Å; L303-N305 VanDerWaalsContact C-N 3.31Å; N305-K307 PolarHBondContact O-N 2.83Å; N305-L308 PolarHBondContact O-N 2.92Å
306L97.3Very high98.1Very high11 Ų1154.1 Ų54.16%0.05826%0.258CS..THydrogen-bonded Turntrans-63.8-11.3179.5-66.6168.3000114.4L252 I254 H267 V269 W301 D302 L303 L308L252-L306 HydrophobicContact CD2-CD2 4.37Å; I254-L306 HydrophobicContact CG1-CD1 3.62Å; H267-L306 HydrophobicContact CB-CD1 3.74Å; V269-L306 WeakPolarHBondContact CG1-O 3.44Å; V269-L306 HydrophobicContact CG2-CB 3.62Å; V269-L306 WeakPolarHBondContact CG2-O 3.16Å; W301-L306 HydrophobicContact CB-CD2 3.97Å; W301-L306 WeakPolarHBondContact CZ3-O 3.24Å; D302-L306 WeakPolarHBondContact O-CD2 3.27Å; D302-L306 PolarHBondContact O-N 2.91Å; D302-L306 VanDerWaalsContact O-N 3.15Å; L303-L306 HydrophobicContact CD2-CD1 4.32Å; L303-L306 HydrophobicContact CD2-CD2 4.28Å; L306-L308 PolarHBondContact O-N 3.21Å
307K94.9Very high98.1Very high182 Ų18257.5 Ų57.579%0.79127%0.272SS*.THydrogen-bonded Turntrans-69.6-19178.6-64.7178.5-179.3176.20113.3N305N305-K307 PolarHBondContact O-N 2.83Å
308L96.3Very high98.1Very high113 Ų11359.4 Ų59.459%0.59228%0.282SS*.SBendtrans-117.2121.4178-65.5177.2000108.4N305 L306 L310N305-L308 PolarHBondContact O-N 2.92Å; L306-L308 PolarHBondContact O-N 3.21Å; L308-L310 PolarHBondContact O-N 3.23Å
309K97.8Very high98.1Very high78 Ų7863 Ų6334%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-63.5128.7165.2-174.7180-63.8-166.50107.8A271 A299 W301 H311A271-K309 WeakPolarHBondContact O-CE 3.44Å; A271-K309 PolarHBondContact O-NZ 2.86Å; A299-K309 HydrophobicContact CB-CD 3.74Å; A299-K309 HydrophobicContact CB-CG 4.07Å; W301-K309 HydrophobicContact CH2-CB 4Å; W301-K309 HydrophobicContact CH2-CG 4.33Å; W301-K309 HydrophobicContact CZ2-CG 4.46Å; W301-K309 HydrophobicContact CZ3-CB 3.95Å; K309-H311 WeakPolarHBondContact CD-O 3.39Å; K309-H311 VanDerWaalsContact CG-O 3.26Å; K309-H311 WeakPolarHBondContact CG-O 3.46Å
310L98.2Very high98.1Very high90 Ų9063 Ų6347%0.47130%0.299SS..EExtended strand (participates in β ladder)trans-72.5-45.1179-71.9-177.8000111.1I288 L300 D302 L308I288-L310 HydrophobicContact CD1-CD1 3.87Å; L300-L310 HydrophobicContact CB-CB 4.17Å; L300-L310 HydrophobicContact CD2-CB 4.25Å; L300-L310 HydrophobicContact CD2-CD1 4.22Å; L300-L310 HydrophobicContact CG-CB 4.25Å; L300-L310 HydrophobicContact CG-CD1 4.18Å; L300-L310 WeakPolarHBondContact O-CB 3.37Å; L300-L310 PolarHBondContact O-N 3.05Å; D302-L310 HydrophobicContact CB-CD1 3.92Å; D302-L310 HydrophobicContact CB-CD2 4.17Å; D302-L310 HydrophobicContact CB-CG 4.1Å; L308-L310 PolarHBondContact O-N 3.23Å
311H98.6Very high98Very high46 Ų4664.7 Ų64.721%0.21331%0.306CS..EExtended strand (participates in β ladder)trans-154.9160.1-176.5-163.654.6000111.6L300 K309 F313 I350 E365L300-H311 HydrophobicContact CB-CB 4.03Å; L300-H311 HydrophobicContact CD2-CB 4.35Å; L300-H311 PolarHBondContact N-O 3.1Å; K309-H311 WeakPolarHBondContact CD-O 3.39Å; K309-H311 VanDerWaalsContact CG-O 3.26Å; K309-H311 WeakPolarHBondContact CG-O 3.46Å; H311-F313 AromaticContact CD2-CD1 3.78Å; H311-F313 AromaticContact CD2-CE1 3.69Å; H311-F313 AromaticContact CD2-CZ 3.94Å; H311-I350 HydrophobicContact CB-CD1 4.39Å; H311-E365 IonicContact CD2-OE1 2.62Å; H311-E365 IonicContact CE1-OE1 2.72Å; H311-E365 IonicContact NE2-OE1 3.23Å; H311-E365 PolarHBondContact NE2-OE1 3.05Å
312S98.5Very high98Very high28 Ų2864.6 Ų64.620%0.19631%0.305CS..EExtended strand (participates in β ladder)trans-127.5114.1175.1-169.80000108E314S312-E314 PolarHBondContact OG-OE1 2.94Å
313F98.8Very high98Very high0 Ų063.7 Ų63.70%030%0.301CS..EExtended strand (participates in β ladder)trans-86.9120.1176.5-57.8-84.9000109.3T297 V298 L300 H311 L333 W345 I350 E365T297-F313 WeakPolarHBondContact CA-O 2.98Å; V298-F313 HydrophobicContact CB-CB 4.05Å; V298-F313 HydrophobicContact CB-CD2 3.85Å; V298-F313 HydrophobicContact CB-CG 4.37Å; V298-F313 HydrophobicContact CG1-CD2 3.95Å; V298-F313 PolarHBondContact N-O 2.83Å; V298-F313 WeakPolarHBondContact O-CD2 3.41Å; V298-F313 PolarHBondContact O-N 3.05Å; L300-F313 HydrophobicContact CB-CE2 3.99Å; L300-F313 HydrophobicContact CD1-CE2 4.43Å; L300-F313 HydrophobicContact CD2-CZ 4.5Å; H311-F313 AromaticContact CD2-CD1 3.78Å; H311-F313 AromaticContact CD2-CE1 3.69Å; H311-F313 AromaticContact CD2-CZ 3.94Å; F313-L333 HydrophobicContact CD2-CD2 4.41Å; F313-L333 HydrophobicContact CE1-CD2 3.99Å; F313-L333 HydrophobicContact CE2-CD2 3.69Å; F313-L333 HydrophobicContact CZ-CD2 3.46Å; F313-L333 VanDerWaalsContact CZ-CD2 3.46Å; F313-W345 HydrophobicContact CB-CD2 4.04Å; F313-W345 HydrophobicContact CB-CE3 3.9Å; F313-W345 HydrophobicContact CB-CH2 3.83Å; F313-W345 HydrophobicContact CB-CZ2 4.05Å; F313-W345 HydrophobicContact CB-CZ3 3.79Å; F313-W345 HydrophobicContact CD1-CB 4.17Å; F313-W345 AromaticContact CD1-CD2 3.99Å; F313-W345 HydrophobicContact CD1-CD2 3.99Å; F313-W345 AromaticContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CG 4.2Å; F313-W345 HydrophobicContact CD1-CZ3 4.4Å; F313-W345 HydrophobicContact CE1-CB 4.21Å; F313-W345 HydrophobicContact CG-CD2 4.25Å; F313-W345 HydrophobicContact CG-CE3 4.24Å; F313-I350 HydrophobicContact CE1-CD1 4.09Å; F313-I350 HydrophobicContact CZ-CD1 4.23Å; F313-E365 HydrophobicContact CD1-CG 3.65Å; F313-E365 HydrophobicContact CE1-CB 4.41Å; F313-E365 HydrophobicContact CE1-CG 3.83Å
314E98.4Very high98.1Very high121 Ų12165 Ų6557%0.56531%0.306SS*.EExtended strand (participates in β ladder)trans-128.1108-168.9-63.2-179.2-178.900110.5T297 S312 P363T297-E314 HydrophobicContact CG2-CG 4Å; S312-E314 PolarHBondContact OG-OE1 2.94Å; E314-P363 WeakPolarHBondContact O-CD 3.28Å
315S98.3Very high98.1Very high34 Ų3457.4 Ų57.424%0.23828%0.277CS..  trans-165.8-31174.9176.20000111.6N343 L366S315-N343 WeakPolarHBondContact CB-ND2 3.28Å; S315-N343 PolarHBondContact OG-ND2 3.35Å; S315-L366 VanDerWaalsContact OG-CD2 3.22Å; S315-L366 WeakPolarHBondContact OG-CD2 3.45Å
316H98.6Very high98.2Very high12 Ų1253.9 Ų53.96%0.05626%0.259CS..  trans-55142.6173.9-80.8-69.9000112I320 S335 D339 W345H316-I320 HydrophobicContact CB-CD1 4.07Å; H316-I320 HydrophobicContact CB-CG1 4.02Å; H316-S335 PolarHBondContact CD2-OG 2.88Å; H316-S335 PolarHBondContact CE1-O 3.41Å; H316-S335 PolarHBondContact NE2-O 2.86Å; H316-S335 PolarHBondContact NE2-OG 2.83Å; H316-D339 VanDerWaalsContact CA-OD2 3.27Å; H316-D339 WeakPolarHBondContact CA-OD2 2.91Å; H316-D339 WeakPolarHBondContact CB-OD2 3.48Å; H316-D339 IonicContact CE1-OD2 3.78Å; H316-D339 IonicContact CG-OD2 3.58Å; H316-D339 IonicContact ND1-OD1 2.97Å; H316-D339 PolarHBondContact ND1-OD1 2.74Å; H316-D339 IonicContact ND1-OD2 3.73Å; H316-D339 PolarHBondContact ND1-OD2 3.22Å; H316-W345 AromaticContact CD2-CZ2 3.88Å
317K98.1Very high98.2Very high163 Ų16355.3 Ų55.371%0.70927%0.269SS*.SBendtrans-100.7-12.1-176.3-62.2-170.5-178.4178.40113.2K296 D339K296-K317 WeakPolarHBondContact CD-O 3.4Å; K296-K317 VanDerWaalsContact CE-O 3.32Å; K296-K317 WeakPolarHBondContact CE-O 3.41Å; K296-K317 PolarHBondContact NZ-O 2.77Å; K317-D339 HydrophobicContact CB-CB 4.09Å; K317-D339 PolarHBondContact N-OD2 3.39Å
318D98.4Very high98.4Very high58 Ų5849.1 Ų49.131%0.3124%0.242SC..SBendtrans-148.6-177.4-178-144.6-23.5000111.3T338 D339D318-T338 HydrophobicContact CB-CG2 4.4Å; D318-D339 HydrophobicContact CB-CB 3.79Å
319E98.6Very high98.5Very high76 Ų7646.4 Ų46.436%0.35523%0.228SC..  trans-55.3134.1-175.4-58.4178-176.300113.1A294 F321 G337 T338A294-E319 HydrophobicContact CB-CB 4.32Å; A294-E319 HydrophobicContact CB-CG 3.81Å; E319-F321 HydrophobicContact CB-CD2 4.41Å; E319-F321 HydrophobicContact CB-CE2 3.81Å; E319-F321 HydrophobicContact CB-CZ 4.48Å; E319-F321 WeakPolarHBondContact OE2-CE2 3.42Å; E319-F321 WeakPolarHBondContact OE2-CZ 3.42Å; E319-G337 CarbonylContact O-C 3.46Å; E319-G337 WeakPolarHBondContact O-CA 3.35Å; E319-T338 PolarHBondContact O-N 3.41Å
320I98.8Very high98.5Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-94.5130.4177.4-61.8160.7000109N277 S293 T297 V298 H316N277-I320 VanDerWaalsContact CB-O 3.29Å; N277-I320 WeakPolarHBondContact CB-O 3.39Å; N277-I320 PolarHBondContact ND2-O 2.84Å; S293-I320 PolarHBondContact O-N 3.44Å; S293-I320 VanDerWaalsContact O-N 3.14Å; T297-I320 VanDerWaalsContact C-CD1 3.47Å; T297-I320 WeakPolarHBondContact O-CD1 3.31Å; V298-I320 HydrophobicContact CG2-CD1 3.79Å; H316-I320 HydrophobicContact CB-CD1 4.07Å; H316-I320 HydrophobicContact CB-CG1 4.02Å
321F98.3Very high98.5Very high48 Ų4845.2 Ų45.221%0.21122%0.224CC..EExtended strand (participates in β ladder)trans-113.9-20.7-176.7-82.4-81000114.2N277 C278 E319 S336 T338 K376N277-F321 HydrophobicContact CB-CD1 4.28Å; C278-F321 WeakPolarHBondContact CB-O 3.28Å; E319-F321 HydrophobicContact CB-CD2 4.41Å; E319-F321 HydrophobicContact CB-CE2 3.81Å; E319-F321 HydrophobicContact CB-CZ 4.48Å; E319-F321 WeakPolarHBondContact OE2-CE2 3.42Å; E319-F321 WeakPolarHBondContact OE2-CZ 3.42Å; F321-S336 PolarHBondContact N-O 2.94Å; F321-T338 VanDerWaalsContact CE2-OG1 3.27Å; F321-T338 WeakPolarHBondContact CE2-OG1 3.47Å; F321-K376 VanDerWaalsContact CD2-CE 3.46Å; F321-K376 VanDerWaalsContact CE2-NZ 3.29Å
322Q98.5Very high98.5Very high3 Ų343.2 Ų43.21%0.01422%0.215CC..EExtended strand (participates in β ladder)trans-141.1142.3179.3-174.860.5-90.500111C278 Q324 S335 S336 D379 F380C278-Q322 VanDerWaalsContact SG-C 3.52Å; Q322-Q324 HydrophobicContact CG-CG 4.22Å; Q322-Q324 VanDerWaalsContact OE1-NE2 3.15Å; Q322-S335 VanDerWaalsContact O-CA 3.24Å; Q322-S335 WeakPolarHBondContact O-CA 3.3Å; Q322-S336 PolarHBondContact N-O 3.16Å; Q322-S336 PolarHBondContact O-N 2.85Å; Q322-D379 PolarHBondContact NE2-OD1 3.07Å; Q322-F380 HydrophobicContact CB-CD1 3.94Å; Q322-F380 HydrophobicContact CB-CE1 3.71Å; Q322-F380 HydrophobicContact CG-CD1 3.61Å; Q322-F380 HydrophobicContact CG-CE1 3.39Å; Q322-F380 HydrophobicContact CG-CZ 4.18Å
323V98.8Very high98.5Very high0 Ų041.9 Ų41.90%021%0.205CC..EExtended strand (participates in β ladder)trans-137.9132.3171.867.40000108.6C278 S280 A290 V298 L333 A334C278-V323 HydrophobicContact CB-CG1 4.13Å; S280-V323 WeakPolarHBondContact CB-O 3.27Å; A290-V323 HydrophobicContact CB-CG2 4.04Å; V298-V323 HydrophobicContact CG1-CG2 4.07Å; V323-L333 HydrophobicContact CG2-CD1 4.05Å; V323-A334 WeakPolarHBondContact CA-O 3.44Å; V323-A334 WeakPolarHBondContact CG2-O 3.25Å
324Q98.9Very high98.5Very high59 Ų5941.9 Ų41.928%0.27621%0.205SC..EExtended strand (participates in β ladder)trans-142.2132.4179.1-67.8-69-41.800110.3Q322 A334 F380 W382Q322-Q324 HydrophobicContact CG-CG 4.22Å; Q322-Q324 VanDerWaalsContact OE1-NE2 3.15Å; Q324-A334 PolarHBondContact N-O 2.79Å; Q324-A334 PolarHBondContact O-N 3.33Å; Q324-F380 HydrophobicContact CB-CE2 3.73Å; Q324-F380 HydrophobicContact CB-CZ 3.8Å; Q324-F380 HydrophobicContact CG-CE2 4.07Å; Q324-F380 HydrophobicContact CG-CZ 4.01Å; Q324-W382 PolarHBondContact O-NE1 2.91Å; Q324-W382 VanDerWaalsContact O-NE1 3.14Å
325W98.9Very high98.5Very high10 Ų1036.1 Ų36.14%0.03818%0.178CC..EExtended strand (participates in β ladder)trans-72146.6169.9-71.694.3000110.9S280 F281 N282 P283 I288 A290 L300 L333 L347 W382S280-W325 PolarHBondContact O-NE1 2.85Å; F281-W325 VanDerWaalsContact C-CD1 3.41Å; N282-W325 HydrophobicContact CB-CD2 3.9Å; N282-W325 HydrophobicContact CB-CE3 4.39Å; N282-W325 HydrophobicContact CB-CG 4.19Å; N282-W325 HydrophobicContact CB-CZ2 4.19Å; N282-W325 WeakPolarHBondContact ND2-CZ3 3.46Å; P283-W325 HydrophobicContact CG-CB 4.36Å; I288-W325 HydrophobicContact CG2-CH2 3.98Å; I288-W325 HydrophobicContact CG2-CZ2 3.72Å; A290-W325 HydrophobicContact CB-CZ2 4.09Å; L300-W325 HydrophobicContact CD1-CH2 3.77Å; L300-W325 HydrophobicContact CD1-CZ2 3.69Å; W325-L333 HydrophobicContact CD2-CB 4.18Å; W325-L333 HydrophobicContact CE3-CB 3.9Å; W325-L333 HydrophobicContact CH2-CB 4.47Å; W325-L333 HydrophobicContact CH2-CD2 4.19Å; W325-L333 HydrophobicContact CZ3-CB 4.05Å; W325-L333 HydrophobicContact CZ3-CD2 4.31Å; W325-L347 HydrophobicContact CH2-CD2 3.8Å; W325-L347 HydrophobicContact CZ3-CD2 3.77Å; W325-W382 VanDerWaalsContact O-CD1 3.3Å
326S98.7Very high98.5Very high0 Ų034.5 Ų34.50%017%0.167CC..  trans-60.4133.6168.3171.50000109.7H328 N329 I332S326-H328 PolarHBondContact O-N 2.77Å; S326-H328 PolarHBondContact OG-N 3Å; S326-H328 VanDerWaalsContact OG-N 3.11Å; S326-N329 PolarHBondContact OG-N 3.44Å; S326-I332 WeakPolarHBondContact CB-O 3.5Å; S326-I332 PolarHBondContact N-O 3.36Å
327P98.3Very high98.4Very high41 Ų4134 Ų3427%0.26616%0.164SC..SBendtrans-78.52.5173.533.5-34.3000112.3Y284 W382Y284-P327 VanDerWaalsContact OH-C 3.26Å; Y284-P327 PolarHBondContact OH-O 3.07Å; P327-W382 HydrophobicContact CG-CB 3.84Å
328H98.1Very high98.4Very high51 Ų5127.9 Ų27.924%0.23614%0.141CC..SBendtrans-120.8-29-177.7-55.3110.2000114.1Y284 S326 N383 P384Y284-H328 VanDerWaalsContact OH-CA 3.29Å; Y284-H328 WeakPolarHBondContact OH-CA 3.42Å; Y284-H328 PolarHBondContact OH-O 3.14Å; S326-H328 PolarHBondContact O-N 2.77Å; S326-H328 PolarHBondContact OG-N 3Å; S326-H328 VanDerWaalsContact OG-N 3.11Å; H328-N383 PolarHBondContact CE1-O 2.8Å; H328-P384 PolarHBondContact NE2-O 3.26Å
329N98.1Very high98.4Very high57 Ų5725.8 Ų25.831%0.30513%0.13SC..  trans-127.9123.4-174.6-60.188.2000110.2S326 T331 I332S326-N329 PolarHBondContact OG-N 3.44Å; N329-T331 PolarHBondContact O-N 3.22Å; N329-I332 HydrophobicContact CB-CB 4.02Å; N329-I332 HydrophobicContact CB-CG1 3.53Å; N329-I332 PolarHBondContact O-N 3.37Å
330E97.9Very high98.4Very high111 Ų11123.9 Ų23.952%0.51912%0.119SC..THydrogen-bonded Turntrans-66.7-22.1-175.266.9-173.1-157.600114.5N282 Y284N282-E330 PolarHBondContact ND2-O 2.82Å; Y284-E330 VanDerWaalsContact CB-CB 3.49Å; Y284-E330 HydrophobicContact CD2-CB 3.85Å; Y284-E330 HydrophobicContact CG-CB 3.78Å
331T98.3Very high98.3Very high31 Ų3126.8 Ų26.819%0.1913%0.13CC..THydrogen-bonded Turntrans-92.1-13.5-177.663.10000113.9N329 D346 L347N329-T331 PolarHBondContact O-N 3.22Å; T331-D346 WeakPolarHBondContact CB-OD1 3.48Å; T331-D346 PolarHBondContact OG1-OD1 2.8Å; T331-L347 HydrophobicContact CG2-CD1 3.82Å; T331-L347 HydrophobicContact CG2-CG 4.06Å; T331-L347 WeakPolarHBondContact O-CG 3.39Å; T331-L347 PolarHBondContact O-N 2.96Å
332I98.8Very high98.4Very high5 Ų524.5 Ų24.53%0.02612%0.12CC..EExtended strand (participates in β ladder)trans-98128-169.2-56-60.4000110.8S326 N329 V344 W345 D346 L367 W382 W388S326-I332 WeakPolarHBondContact CB-O 3.5Å; S326-I332 PolarHBondContact N-O 3.36Å; N329-I332 HydrophobicContact CB-CB 4.02Å; N329-I332 HydrophobicContact CB-CG1 3.53Å; N329-I332 PolarHBondContact O-N 3.37Å; I332-V344 HydrophobicContact CG2-CG1 3.73Å; I332-W345 WeakPolarHBondContact CA-O 3.37Å; I332-D346 HydrophobicContact CD1-CB 3.61Å; I332-L367 HydrophobicContact CD1-CD2 4.15Å; I332-W382 HydrophobicContact CG2-CH2 3.76Å; I332-W382 HydrophobicContact CG2-CZ2 3.97Å; I332-W388 HydrophobicContact CB-CH2 4.46Å; I332-W388 HydrophobicContact CD1-CH2 3.7Å; I332-W388 HydrophobicContact CD1-CZ3 4.3Å; I332-W388 HydrophobicContact CG1-CH2 3.6Å; I332-W388 HydrophobicContact CG1-CZ2 4.34Å; I332-W388 HydrophobicContact CG1-CZ3 4.18Å; I332-W388 HydrophobicContact CG2-CH2 4.14Å; I332-W388 HydrophobicContact CG2-CZ3 3.83Å
333L98.5Very high98.4Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-128.9156.817177.1111.7000110.3V298 F313 V323 W325 V344 W345V298-L333 HydrophobicContact CG1-CD1 4.17Å; F313-L333 HydrophobicContact CD2-CD2 4.41Å; F313-L333 HydrophobicContact CE1-CD2 3.99Å; F313-L333 HydrophobicContact CE2-CD2 3.69Å; F313-L333 HydrophobicContact CZ-CD2 3.46Å; F313-L333 VanDerWaalsContact CZ-CD2 3.46Å; V323-L333 HydrophobicContact CG2-CD1 4.05Å; W325-L333 HydrophobicContact CD2-CB 4.18Å; W325-L333 HydrophobicContact CE3-CB 3.9Å; W325-L333 HydrophobicContact CH2-CB 4.47Å; W325-L333 HydrophobicContact CH2-CD2 4.19Å; W325-L333 HydrophobicContact CZ3-CB 4.05Å; W325-L333 HydrophobicContact CZ3-CD2 4.31Å; L333-V344 WeakPolarHBondContact O-CA 3.4Å; L333-W345 HydrophobicContact CD1-CB 4.35Å; L333-W345 HydrophobicContact CD1-CG 3.97Å; L333-W345 HydrophobicContact CD2-CB 3.98Å; L333-W345 HydrophobicContact CD2-CG 4.42Å; L333-W345 HydrophobicContact CG-CB 3.82Å; L333-W345 HydrophobicContact CG-CG 4Å; L333-W345 PolarHBondContact N-O 2.8Å; L333-W345 PolarHBondContact O-N 3.43Å
334A98.9Very high98.4Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-128152.7170.300000110.8V323 Q324 L342 N343 V344 F380 W382V323-A334 WeakPolarHBondContact CA-O 3.44Å; V323-A334 WeakPolarHBondContact CG2-O 3.25Å; Q324-A334 PolarHBondContact N-O 2.79Å; Q324-A334 PolarHBondContact O-N 3.33Å; A334-L342 HydrophobicContact CB-CD2 3.91Å; A334-N343 CarbonylContact C-O 3.49Å; A334-N343 WeakPolarHBondContact CA-O 3.41Å; A334-V344 HydrophobicContact CB-CG2 4.29Å; A334-F380 HydrophobicContact CB-CE2 3.62Å; A334-F380 HydrophobicContact CB-CZ 3.74Å; A334-F380 WeakPolarHBondContact O-CZ 3.28Å; A334-W382 HydrophobicContact CB-CZ2 3.57Å
335S98.9Very high98.4Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-143.4148175.255.60000111.8H316 Q322 L342 N343 W345H316-S335 PolarHBondContact CD2-OG 2.88Å; H316-S335 PolarHBondContact CE1-O 3.41Å; H316-S335 PolarHBondContact NE2-O 2.86Å; H316-S335 PolarHBondContact NE2-OG 2.83Å; Q322-S335 VanDerWaalsContact O-CA 3.24Å; Q322-S335 WeakPolarHBondContact O-CA 3.3Å; S335-L342 CarbonylContact O-C 3.55Å; S335-L342 VanDerWaalsContact O-CA 3.3Å; S335-L342 WeakPolarHBondContact O-CA 3.29Å; S335-N343 PolarHBondContact N-O 3.31Å; S335-N343 PolarHBondContact O-N 3.19Å; S335-W345 PolarHBondContact OG-NE1 2.98Å
336S98.8Very high98.4Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-143.8160.2179.871.40000112.3F321 Q322 R341 F380F321-S336 PolarHBondContact N-O 2.94Å; Q322-S336 PolarHBondContact N-O 3.16Å; Q322-S336 PolarHBondContact O-N 2.85Å; S336-R341 WeakPolarHBondContact CA-O 3.5Å; S336-F380 WeakPolarHBondContact OG-CD1 3.47Å
337G96.1Very high98.3Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-169.4-152.7-177.600000116E319 D339 R340 I377E319-G337 CarbonylContact O-C 3.46Å; E319-G337 WeakPolarHBondContact O-CA 3.35Å; G337-D339 VanDerWaalsContact C-N 3.3Å; G337-D339 PolarHBondContact O-N 3Å; G337-R340 PolarHBondContact O-N 3.47Å; G337-I377 PolarHBondContact O-N 3.04Å
338T98.3Very high98.3Very high36 Ų3625.7 Ų25.722%0.22113%0.132CC..THydrogen-bonded Turntrans-70.3-24.3-175.7-57.70000113.2D318 E319 F321 R340D318-T338 HydrophobicContact CB-CG2 4.4Å; E319-T338 PolarHBondContact O-N 3.41Å; F321-T338 VanDerWaalsContact CE2-OG1 3.27Å; F321-T338 WeakPolarHBondContact CE2-OG1 3.47Å; T338-R340 PolarHBondContact O-N 3.35Å
339D97.8Very high98.3Very high13 Ų1325.1 Ų25.17%0.0713%0.129CC..THydrogen-bonded Turntrans-71.42.2178.965.43.9000114.4H316 K317 D318 G337 R341H316-D339 VanDerWaalsContact CA-OD2 3.27Å; H316-D339 WeakPolarHBondContact CA-OD2 2.91Å; H316-D339 WeakPolarHBondContact CB-OD2 3.48Å; H316-D339 IonicContact CE1-OD2 3.78Å; H316-D339 IonicContact CG-OD2 3.58Å; H316-D339 IonicContact ND1-OD1 2.97Å; H316-D339 PolarHBondContact ND1-OD1 2.74Å; H316-D339 IonicContact ND1-OD2 3.73Å; H316-D339 PolarHBondContact ND1-OD2 3.22Å; K317-D339 HydrophobicContact CB-CB 4.09Å; K317-D339 PolarHBondContact N-OD2 3.39Å; D318-D339 HydrophobicContact CB-CB 3.79Å; G337-D339 VanDerWaalsContact C-N 3.3Å; G337-D339 PolarHBondContact O-N 3Å; D339-R341 PolarHBondContact O-N 2.69Å; D339-R341 PolarHBondContact OD1-N 2.83Å
340R98.3Very high98.2Very high36 Ų3625.2 Ų25.214%0.13613%0.129CC..SBendtrans66.514.5178.5-42.9169.5-76.2-84.37113.2E13 G337 T338 T374 A375E13-R340 IonicContact OE1-CZ 3.35Å; E13-R340 IonicContact OE1-NH1 3.99Å; E13-R340 PolarHBondContact OE1-NH1 2.95Å; E13-R340 IonicContact OE1-NH2 3.12Å; G337-R340 PolarHBondContact O-N 3.47Å; T338-R340 PolarHBondContact O-N 3.35Å; R340-T374 VanDerWaalsContact CD-O 3.24Å; R340-T374 WeakPolarHBondContact CD-O 3.44Å; R340-A375 WeakPolarHBondContact CG-O 3.14Å
341R98.4Very high98.2Very high61 Ų6123.3 Ų23.323%0.2314%0.139CC..  trans-110144.3179-58-57.8179.1159-7.5110E20 S336 D339 I369 H370E20-R341 IonicContact OE2-CZ 3.83Å; E20-R341 IonicContact OE2-NH2 3.54Å; E20-R341 PolarHBondContact OE2-NH2 2.94Å; S336-R341 WeakPolarHBondContact CA-O 3.5Å; D339-R341 PolarHBondContact O-N 2.69Å; D339-R341 PolarHBondContact OD1-N 2.83Å; R341-I369 HydrophobicContact CB-CG2 4.08Å; R341-I369 HydrophobicContact CG-CG2 4.11Å; R341-H370 WeakPolarHBondContact CA-O 3.44Å
342L98.9Very high98.1Very high0 Ų026.9 Ų26.90%015%0.154CC..EExtended strand (participates in β ladder)trans-114.3112.2164.6-175.5163.1000107.3A334 S335 V344 H370 I377 F380 I390 W402A334-L342 HydrophobicContact CB-CD2 3.91Å; S335-L342 CarbonylContact O-C 3.55Å; S335-L342 VanDerWaalsContact O-CA 3.3Å; S335-L342 WeakPolarHBondContact O-CA 3.29Å; L342-V344 HydrophobicContact CD2-CG2 3.86Å; L342-H370 HydrophobicContact CB-CB 4.15Å; L342-H370 PolarHBondContact N-O 3.18Å; L342-H370 WeakPolarHBondContact O-CB 3.32Å; L342-H370 PolarHBondContact O-N 3.27Å; L342-I377 HydrophobicContact CB-CD1 3.9Å; L342-F380 HydrophobicContact CD1-CB 3.79Å; L342-F380 HydrophobicContact CD1-CD1 3.86Å; L342-F380 HydrophobicContact CD1-CD2 3.78Å; L342-F380 HydrophobicContact CD1-CE1 4.38Å; L342-F380 HydrophobicContact CD1-CE2 4.33Å; L342-F380 HydrophobicContact CD1-CG 3.53Å; L342-I390 HydrophobicContact CD1-CG2 4.15Å; L342-I390 HydrophobicContact CD2-CD1 4.33Å; L342-W402 HydrophobicContact CD1-CZ2 4.02Å; L342-W402 HydrophobicContact CD2-CH2 3.89Å; L342-W402 HydrophobicContact CD2-CZ2 3.74Å; L342-W402 HydrophobicContact CG-CZ2 4.31Å
343N98.9Very high97.9Very high2 Ų236.2 Ų36.21%0.01120%0.197CC..EExtended strand (participates in β ladder)trans-92133.5179.1-705.1000108.9S315 A334 S335 W345 L366 F368S315-N343 WeakPolarHBondContact CB-ND2 3.28Å; S315-N343 PolarHBondContact OG-ND2 3.35Å; A334-N343 CarbonylContact C-O 3.49Å; A334-N343 WeakPolarHBondContact CA-O 3.41Å; S335-N343 PolarHBondContact N-O 3.31Å; S335-N343 PolarHBondContact O-N 3.19Å; N343-W345 HydrophobicContact CB-CD2 4.47Å; N343-W345 HydrophobicContact CB-CH2 4.49Å; N343-W345 HydrophobicContact CB-CZ2 3.65Å; N343-L366 HydrophobicContact CB-CD1 3.91Å; N343-F368 CarbonylContact C-O 3.49Å; N343-F368 WeakPolarHBondContact CA-O 3.19Å
344V98.9Very high97.8Very high0 Ų039.7 Ų39.70%021%0.213CC..EExtended strand (participates in β ladder)trans-106.4132.3168.3-172.80000107.8I332 L333 A334 L342 L367 F368 W382 W388 I390 W402 M404I332-V344 HydrophobicContact CG2-CG1 3.73Å; L333-V344 WeakPolarHBondContact O-CA 3.4Å; A334-V344 HydrophobicContact CB-CG2 4.29Å; L342-V344 HydrophobicContact CD2-CG2 3.86Å; V344-L367 HydrophobicContact CG1-CD2 4.38Å; V344-L367 WeakPolarHBondContact O-CB 3.21Å; V344-L367 PolarHBondContact O-N 3.22Å; V344-F368 HydrophobicContact CB-CB 4.1Å; V344-F368 HydrophobicContact CG2-CB 4.39Å; V344-F368 PolarHBondContact N-O 3.32Å; V344-F368 PolarHBondContact O-N 2.95Å; V344-F368 VanDerWaalsContact O-N 3.1Å; V344-W382 HydrophobicContact CG1-CH2 4.01Å; V344-W382 HydrophobicContact CG1-CZ2 4.33Å; V344-W388 HydrophobicContact CG1-CZ3 4.44Å; V344-I390 HydrophobicContact CG2-CD1 4.44Å; V344-W402 HydrophobicContact CG2-CH2 4.19Å; V344-M404 HydrophobicContact CB-CE 3.89Å; V344-M404 HydrophobicContact CG1-CE 3.88Å; V344-M404 HydrophobicContact CG2-CE 3.66Å
345W98.9Very high97.7Very high0 Ų041.9 Ų41.90%023%0.229CC..EExtended strand (participates in β ladder)trans-121.1144.9-175.2-38.778.5000110.5F313 H316 I332 L333 S335 N343 P363 E365 L366F313-W345 HydrophobicContact CB-CD2 4.04Å; F313-W345 HydrophobicContact CB-CE3 3.9Å; F313-W345 HydrophobicContact CB-CH2 3.83Å; F313-W345 HydrophobicContact CB-CZ2 4.05Å; F313-W345 HydrophobicContact CB-CZ3 3.79Å; F313-W345 HydrophobicContact CD1-CB 4.17Å; F313-W345 AromaticContact CD1-CD2 3.99Å; F313-W345 HydrophobicContact CD1-CD2 3.99Å; F313-W345 AromaticContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CE3 3.78Å; F313-W345 HydrophobicContact CD1-CG 4.2Å; F313-W345 HydrophobicContact CD1-CZ3 4.4Å; F313-W345 HydrophobicContact CE1-CB 4.21Å; F313-W345 HydrophobicContact CG-CD2 4.25Å; F313-W345 HydrophobicContact CG-CE3 4.24Å; H316-W345 AromaticContact CD2-CZ2 3.88Å; I332-W345 WeakPolarHBondContact CA-O 3.37Å; L333-W345 HydrophobicContact CD1-CB 4.35Å; L333-W345 HydrophobicContact CD1-CG 3.97Å; L333-W345 HydrophobicContact CD2-CB 3.98Å; L333-W345 HydrophobicContact CD2-CG 4.42Å; L333-W345 HydrophobicContact CG-CB 3.82Å; L333-W345 HydrophobicContact CG-CG 4Å; L333-W345 PolarHBondContact N-O 2.8Å; L333-W345 PolarHBondContact O-N 3.43Å; S335-W345 PolarHBondContact OG-NE1 2.98Å; N343-W345 HydrophobicContact CB-CD2 4.47Å; N343-W345 HydrophobicContact CB-CH2 4.49Å; N343-W345 HydrophobicContact CB-CZ2 3.65Å; W345-P363 HydrophobicContact CZ3-CG 4.22Å; W345-E365 CarbonylContact C-O 3.54Å; W345-E365 WeakPolarHBondContact CA-O 3.48Å; W345-E365 WeakPolarHBondContact CB-O 3.41Å; W345-E365 HydrophobicContact CE3-CG 4.36Å; W345-L366 HydrophobicContact CD2-CD1 4.27Å; W345-L366 HydrophobicContact CE3-CB 4.1Å; W345-L366 HydrophobicContact CE3-CD1 3.86Å; W345-L366 HydrophobicContact CH2-CD1 4.2Å; W345-L366 HydrophobicContact CZ3-CB 4.08Å; W345-L366 HydrophobicContact CZ3-CD1 3.82Å; W345-L366 HydrophobicContact CZ3-CG 4.46Å
346D98.6Very high97.5Very high16 Ų1647.2 Ų47.29%0.08626%0.263CS..EExtended strand (participates in β ladder)trans-119.6109.2172.9-17718.5000111.1T331 I332 S348 K349 E365 L367T331-D346 WeakPolarHBondContact CB-OD1 3.48Å; T331-D346 PolarHBondContact OG1-OD1 2.8Å; I332-D346 HydrophobicContact CD1-CB 3.61Å; D346-S348 PolarHBondContact O-N 3.31Å; D346-S348 PolarHBondContact OD1-N 3Å; D346-S348 PolarHBondContact OD1-OG 3.02Å; D346-S348 PolarHBondContact OD2-OG 3.08Å; D346-K349 HydrophobicContact CB-CG 4.48Å; D346-K349 PolarHBondContact O-N 3.3Å; D346-E365 PolarHBondContact N-O 3.4Å; D346-E365 VanDerWaalsContact O-CB 3.27Å; D346-E365 WeakPolarHBondContact O-CB 3.48Å; D346-L367 HydrophobicContact CB-CB 4.34Å; D346-L367 HydrophobicContact CB-CD2 4.36Å
347L97.8Very high97.4Very high50 Ų5054.6 Ų54.626%0.26230%0.298SS..G310 helixtrans-67.6-17.2-178.272.681.4000113.6W325 T331 K349 I350W325-L347 HydrophobicContact CH2-CD2 3.8Å; W325-L347 HydrophobicContact CZ3-CD2 3.77Å; T331-L347 HydrophobicContact CG2-CD1 3.82Å; T331-L347 HydrophobicContact CG2-CG 4.06Å; T331-L347 WeakPolarHBondContact O-CG 3.39Å; T331-L347 PolarHBondContact O-N 2.96Å; L347-K349 PolarHBondContact O-N 2.94Å; L347-I350 HydrophobicContact CB-CD1 3.77Å; L347-I350 HydrophobicContact CB-CG1 4.48Å; L347-I350 WeakPolarHBondContact O-CG1 3.27Å; L347-I350 PolarHBondContact O-N 2.99Å
348S97.6Very high97.3Very high70 Ų7058.4 Ų58.449%0.4932%0.318SS..G310 helixtrans-67.3-23.8175.524.30000113.1D346 I350D346-S348 PolarHBondContact O-N 3.31Å; D346-S348 PolarHBondContact OD1-N 3Å; D346-S348 PolarHBondContact OD1-OG 3.02Å; D346-S348 PolarHBondContact OD2-OG 3.08Å; S348-I350 VanDerWaalsContact C-N 3.34Å
349K97.2Very high97.1Very high39 Ų3959.4 Ų59.417%0.1733%0.33CS..G310 helixtrans-88.92-179.5-56.6-168.8177.5-163.80113.4D346 L347 G351 E352 P364 D411D346-K349 HydrophobicContact CB-CG 4.48Å; D346-K349 PolarHBondContact O-N 3.3Å; L347-K349 PolarHBondContact O-N 2.94Å; K349-G351 PolarHBondContact O-N 3.47Å; K349-G351 VanDerWaalsContact O-N 3.14Å; K349-E352 HydrophobicContact CB-CG 4.34Å; K349-E352 WeakPolarHBondContact O-CB 3.49Å; K349-E352 WeakPolarHBondContact O-CG 3.32Å; K349-E352 PolarHBondContact O-N 3.23Å; K349-E352 VanDerWaalsContact O-N 3.14Å; K349-P364 WeakPolarHBondContact CB-O 3.37Å; K349-P364 WeakPolarHBondContact O-CB 3.44Å; K349-P364 WeakPolarHBondContact O-CG 3.46Å; K349-D411 IonicContact NZ-OD2 3.81Å; K349-D411 PolarHBondContact NZ-OD2 3.12Å
350I97.8Very high97Very high60 Ų6067.1 Ų67.131%0.30837%0.366SS..THydrogen-bonded Turntrans-61.1120.4177.9-67.4170.5000110H311 F313 L347 S348 E365H311-I350 HydrophobicContact CB-CD1 4.39Å; F313-I350 HydrophobicContact CE1-CD1 4.09Å; F313-I350 HydrophobicContact CZ-CD1 4.23Å; L347-I350 HydrophobicContact CB-CD1 3.77Å; L347-I350 HydrophobicContact CB-CG1 4.48Å; L347-I350 WeakPolarHBondContact O-CG1 3.27Å; L347-I350 PolarHBondContact O-N 2.99Å; S348-I350 VanDerWaalsContact C-N 3.34Å; I350-E365 HydrophobicContact CG1-CB 3.66Å; I350-E365 HydrophobicContact CG1-CG 3.97Å
351G96.2Very high96.7Very high70 Ų7071.6 Ų71.672%0.72239%0.392SS*.THydrogen-bonded Turntrans83.89.9177.400000114.9K349K349-G351 PolarHBondContact O-N 3.47Å; K349-G351 VanDerWaalsContact O-N 3.14Å
352E96.4Very high96.6Very high106 Ų10669.5 Ų69.550%0.49539%0.389SS..  trans-63.5148.1167.8-70.4-174.717300111.5K349 P364K349-E352 HydrophobicContact CB-CG 4.34Å; K349-E352 WeakPolarHBondContact O-CB 3.49Å; K349-E352 WeakPolarHBondContact O-CG 3.32Å; K349-E352 PolarHBondContact O-N 3.23Å; K349-E352 VanDerWaalsContact O-N 3.14Å; E352-P364 HydrophobicContact CB-CB 4.05Å
353E95.9Very high96.6Very high201 Ų20170.9 Ų70.994%0.93940%0.399SS*.  trans-78.5125.9177-66-175.2174.400109.9
354Q95.6Very high96.5Very high74 Ų7472 Ų7235%0.34641%0.406SS..  trans-108154.6176.7-72.4177.7-62.100111.7D358 A359 G362 P364Q354-D358 HydrophobicContact CB-CB 4.19Å; Q354-D358 HydrophobicContact CG-CB 4.41Å; Q354-A359 HydrophobicContact CB-CB 4.46Å; Q354-G362 PolarHBondContact NE2-O 3.22Å; Q354-G362 VanDerWaalsContact NE2-O 3.1Å; Q354-G362 PolarHBondContact OE1-O 3.06Å; Q354-P364 HydrophobicContact CG-CB 3.86Å
355S96.3Very high96.5Very high46 Ų4672.5 Ų72.532%0.32241%0.408SS..  trans-67.1159.7165.182.60000110.2E357 D358 A359S355-E357 PolarHBondContact O-N 3.1Å; S355-E357 PolarHBondContact OG-N 3.17Å; S355-D358 VanDerWaalsContact CB-OD2 3.3Å; S355-D358 WeakPolarHBondContact CB-OD2 3.39Å; S355-D358 PolarHBondContact N-OD2 2.85Å; S355-D358 PolarHBondContact O-N 3Å; S355-D358 PolarHBondContact OG-N 3.46Å; S355-D358 PolarHBondContact OG-OD2 2.62Å; S355-A359 WeakPolarHBondContact O-CB 3.35Å; S355-A359 PolarHBondContact O-N 3.15Å; S355-A359 VanDerWaalsContact O-N 3.08Å
356P95.6Very high96.5Very high111 Ų11173.9 Ų73.972%0.72142%0.415SS*.THydrogen-bonded Turntrans-60-26.8174.8-24.334.9000113.8
357E95.6Very high96.5Very high155 Ų15574.2 Ų74.272%0.72442%0.417SS*.THydrogen-bonded Turntrans-73.2-47.3178.5-64.5176-172.200110S355 A359 E360S355-E357 PolarHBondContact O-N 3.1Å; S355-E357 PolarHBondContact OG-N 3.17Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.87Å; E357-E360 WeakPolarHBondContact O-CB 3.2Å; E357-E360 PolarHBondContact O-N 3.26Å; E357-E360 VanDerWaalsContact O-N 3.11Å
358D93.8Very high96.5Very high81 Ų8172.5 Ų72.543%0.43341%0.407SS..Hα-helixtrans-65.7-33.6178.8-50.7-52.1000112.2Q354 S355 E360 D361 G362Q354-D358 HydrophobicContact CB-CB 4.19Å; Q354-D358 HydrophobicContact CG-CB 4.41Å; S355-D358 VanDerWaalsContact CB-OD2 3.3Å; S355-D358 WeakPolarHBondContact CB-OD2 3.39Å; S355-D358 PolarHBondContact N-OD2 2.85Å; S355-D358 PolarHBondContact O-N 3Å; S355-D358 PolarHBondContact OG-N 3.46Å; S355-D358 PolarHBondContact OG-OD2 2.62Å; D358-E360 PolarHBondContact O-N 3.17Å; D358-D361 PolarHBondContact O-N 3.06Å; D358-D361 VanDerWaalsContact O-N 3.09Å; D358-G362 PolarHBondContact O-N 3.43Å
359A94.5Very high96.6Very high57 Ų5772.4 Ų72.447%0.47140%0.401SS..Hα-helixtrans-68.8-18.4176.900000113.4Q354 S355 E357Q354-A359 HydrophobicContact CB-CB 4.46Å; S355-A359 WeakPolarHBondContact O-CB 3.35Å; S355-A359 PolarHBondContact O-N 3.15Å; S355-A359 VanDerWaalsContact O-N 3.08Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.87Å
360E95.1Very high96.6Very high174 Ų17470.5 Ų70.581%0.81339%0.393SS*.Hα-helixtrans-75-27.4170.6-72.1-175.4178.100111.9E357 D358E357-E360 WeakPolarHBondContact O-CB 3.2Å; E357-E360 PolarHBondContact O-N 3.26Å; E357-E360 VanDerWaalsContact O-N 3.11Å; D358-E360 PolarHBondContact O-N 3.17Å
361D93.7Very high96.6Very high131 Ų13167.9 Ų67.970%0.70138%0.38SS*.Hα-helixtrans-82-32.3-180-70.9-31.8000112.6D358D358-D361 PolarHBondContact O-N 3.06Å; D358-D361 VanDerWaalsContact O-N 3.09Å
362G96.3Very high96.5Very high16 Ų1664.6 Ų64.617%0.16535%0.346CS..  trans162.1178.4176.100000114Q354 D358Q354-G362 PolarHBondContact NE2-O 3.22Å; Q354-G362 VanDerWaalsContact NE2-O 3.1Å; Q354-G362 PolarHBondContact OE1-O 3.06Å; D358-G362 PolarHBondContact O-N 3.43Å
363P98Very high96.6Very high30 Ų3059.9 Ų59.920%0.19532%0.324CS..  trans-68158.5175.833.4-37.7000111.2E314 W345 E365 L366E314-P363 WeakPolarHBondContact O-CD 3.28Å; W345-P363 HydrophobicContact CZ3-CG 4.22Å; P363-E365 WeakPolarHBondContact CB-OE1 3.38Å; P363-E365 PolarHBondContact O-N 3.32Å; P363-L366 HydrophobicContact CG-CB 4.12Å; P363-L366 WeakPolarHBondContact O-CB 3.39Å; P363-L366 PolarHBondContact O-N 2.72Å
364P97.8Very high96.6Very high25 Ų2552.2 Ų52.216%0.16229%0.291CS..THydrogen-bonded Turntrans-64.9-27.7-173.125.2-32.1000113.5K349 E352 Q354 L366K349-P364 WeakPolarHBondContact CB-O 3.37Å; K349-P364 WeakPolarHBondContact O-CB 3.44Å; K349-P364 WeakPolarHBondContact O-CG 3.46Å; E352-P364 HydrophobicContact CB-CB 4.05Å; Q354-P364 HydrophobicContact CG-CB 3.86Å; P364-L366 PolarHBondContact O-N 2.8Å
365E98.3Very high96.7Very high11 Ų1149.7 Ų49.75%0.05128%0.283CS..THydrogen-bonded Turntrans-75.3-6.1175.467.4-86.3-16600114.5H311 F313 W345 D346 I350 P363 L367H311-E365 IonicContact CD2-OE1 2.62Å; H311-E365 IonicContact CE1-OE1 2.72Å; H311-E365 IonicContact NE2-OE1 3.23Å; H311-E365 PolarHBondContact NE2-OE1 3.05Å; F313-E365 HydrophobicContact CD1-CG 3.65Å; F313-E365 HydrophobicContact CE1-CB 4.41Å; F313-E365 HydrophobicContact CE1-CG 3.83Å; W345-E365 CarbonylContact C-O 3.54Å; W345-E365 WeakPolarHBondContact CA-O 3.48Å; W345-E365 WeakPolarHBondContact CB-O 3.41Å; W345-E365 HydrophobicContact CE3-CG 4.36Å; D346-E365 PolarHBondContact N-O 3.4Å; D346-E365 VanDerWaalsContact O-CB 3.27Å; D346-E365 WeakPolarHBondContact O-CB 3.48Å; I350-E365 HydrophobicContact CG1-CB 3.66Å; I350-E365 HydrophobicContact CG1-CG 3.97Å; P363-E365 WeakPolarHBondContact CB-OE1 3.38Å; P363-E365 PolarHBondContact O-N 3.32Å; E365-L367 PolarHBondContact O-N 3.44Å
366L98.6Very high96.8Very high28 Ų2849.9 Ų49.915%0.14728%0.278CS..EExtended strand (participates in β ladder)trans-79.8100.2172.9-18062.1000109.8S315 N343 W345 P363 P364 I369S315-L366 VanDerWaalsContact OG-CD2 3.22Å; S315-L366 WeakPolarHBondContact OG-CD2 3.45Å; N343-L366 HydrophobicContact CB-CD1 3.91Å; W345-L366 HydrophobicContact CD2-CD1 4.27Å; W345-L366 HydrophobicContact CE3-CB 4.1Å; W345-L366 HydrophobicContact CE3-CD1 3.86Å; W345-L366 HydrophobicContact CH2-CD1 4.2Å; W345-L366 HydrophobicContact CZ3-CB 4.08Å; W345-L366 HydrophobicContact CZ3-CD1 3.82Å; W345-L366 HydrophobicContact CZ3-CG 4.46Å; P363-L366 HydrophobicContact CG-CB 4.12Å; P363-L366 WeakPolarHBondContact O-CB 3.39Å; P363-L366 PolarHBondContact O-N 2.72Å; P364-L366 PolarHBondContact O-N 2.8Å; L366-I369 HydrophobicContact CD1-CG1 4.13Å; L366-I369 HydrophobicContact CD2-CD1 3.92Å; L366-I369 HydrophobicContact CD2-CG1 4.07Å; L366-I369 HydrophobicContact CG-CG1 4.31Å
367L98.2Very high97Very high24 Ų2444.6 Ų44.613%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-80.8-43.1-174.7-17765.2000112.5I332 V344 D346 E365 W388 M404 I408I332-L367 HydrophobicContact CD1-CD2 4.15Å; V344-L367 HydrophobicContact CG1-CD2 4.38Å; V344-L367 WeakPolarHBondContact O-CB 3.21Å; V344-L367 PolarHBondContact O-N 3.22Å; D346-L367 HydrophobicContact CB-CB 4.34Å; D346-L367 HydrophobicContact CB-CD2 4.36Å; E365-L367 PolarHBondContact O-N 3.44Å; L367-W388 HydrophobicContact CD2-CH2 4.07Å; L367-W388 HydrophobicContact CD2-CZ3 4Å; L367-M404 HydrophobicContact CD2-SD 4.36Å; L367-I408 HydrophobicContact CD1-CG2 4.2Å; L367-I408 HydrophobicContact CG-CG2 4.3Å
368F98.6Very high97.1Very high13 Ų1338.1 Ų38.16%0.05722%0.215CC..EExtended strand (participates in β ladder)trans-153.5145.1-173.9-169.5-105.3000112.2L31 Y32 N343 V344 H370 W402 M404 I408L31-F368 HydrophobicContact CB-CE2 4.16Å; L31-F368 HydrophobicContact CB-CZ 4.28Å; L31-F368 HydrophobicContact CD2-CE2 4.32Å; Y32-F368 HydrophobicContact CD1-CZ 4.17Å; Y32-F368 AromaticContact CE1-CE1 3.65Å; Y32-F368 HydrophobicContact CE1-CE1 3.65Å; Y32-F368 AromaticContact CE1-CZ 3.51Å; Y32-F368 HydrophobicContact CE1-CZ 3.51Å; Y32-F368 HydrophobicContact CE2-CZ 4.03Å; Y32-F368 AromaticContact CZ-CE1 3.77Å; Y32-F368 AromaticContact CZ-CZ 3.41Å; Y32-F368 VanDerWaalsContact CZ-CZ 3.41Å; Y32-F368 WeakPolarHBondContact OH-CE1 3.42Å; Y32-F368 WeakPolarHBondContact OH-CZ 3.47Å; N343-F368 CarbonylContact C-O 3.49Å; N343-F368 WeakPolarHBondContact CA-O 3.19Å; V344-F368 HydrophobicContact CB-CB 4.1Å; V344-F368 HydrophobicContact CG2-CB 4.39Å; V344-F368 PolarHBondContact N-O 3.32Å; V344-F368 PolarHBondContact O-N 2.95Å; V344-F368 VanDerWaalsContact O-N 3.1Å; F368-H370 HydrophobicContact CD1-CB 4.3Å; F368-H370 HydrophobicContact CE1-CB 3.95Å; F368-W402 HydrophobicContact CD1-CH2 4.24Å; F368-W402 AromaticContact CD1-CZ3 3.96Å; F368-W402 HydrophobicContact CD1-CZ3 3.96Å; F368-W402 HydrophobicContact CE1-CE3 4.34Å; F368-W402 HydrophobicContact CE1-CH2 4.22Å; F368-W402 AromaticContact CE1-CZ3 3.67Å; F368-W402 HydrophobicContact CE1-CZ3 3.67Å; F368-M404 HydrophobicContact CB-CE 3.85Å; F368-M404 HydrophobicContact CB-SD 4.21Å; F368-M404 HydrophobicContact CD1-CB 4.34Å; F368-M404 HydrophobicContact CD1-CE 4.16Å; F368-M404 HydrophobicContact CD2-CB 4.24Å; F368-M404 HydrophobicContact CE1-CB 4.22Å; F368-M404 HydrophobicContact CE2-CB 4.11Å; F368-M404 HydrophobicContact CG-CB 4.33Å; F368-M404 HydrophobicContact CG-CE 4.09Å; F368-M404 HydrophobicContact CG-SD 4.39Å; F368-M404 HydrophobicContact CZ-CB 4.08Å; F368-I408 HydrophobicContact CD2-CD1 3.7Å; F368-I408 HydrophobicContact CD2-CG2 4.3Å; F368-I408 HydrophobicContact CE2-CD1 3.58Å
369I98.7Very high97.4Very high68 Ų6834.3 Ų34.335%0.34920%0.195SC..EExtended strand (participates in β ladder)trans-118.9108.6170.6-55.2177.6000108.6R341 L366R341-I369 HydrophobicContact CB-CG2 4.08Å; R341-I369 HydrophobicContact CG-CG2 4.11Å; L366-I369 HydrophobicContact CD1-CG1 4.13Å; L366-I369 HydrophobicContact CD2-CD1 3.92Å; L366-I369 HydrophobicContact CD2-CG1 4.07Å; L366-I369 HydrophobicContact CG-CG1 4.31Å
370H98.6Very high97.6Very high0 Ų031.8 Ų31.80%017%0.173CC..EExtended strand (participates in β ladder)trans-76.2130.1169.3174.372.5000110.4Y32 R341 L342 F368 G372 H373 E400 W402Y32-H370 AromaticContact CE1-ND1 3.61Å; Y32-H370 AromaticContact CZ-ND1 3.66Å; Y32-H370 PolarHBondContact OH-ND1 2.72Å; R341-H370 WeakPolarHBondContact CA-O 3.44Å; L342-H370 HydrophobicContact CB-CB 4.15Å; L342-H370 PolarHBondContact N-O 3.18Å; L342-H370 WeakPolarHBondContact O-CB 3.32Å; L342-H370 PolarHBondContact O-N 3.27Å; F368-H370 HydrophobicContact CD1-CB 4.3Å; F368-H370 HydrophobicContact CE1-CB 3.95Å; H370-G372 PolarHBondContact CE1-N 2.85Å; H370-G372 PolarHBondContact NE2-N 3.35Å; H370-H373 AromaticContact CD2-CD2 3.78Å; H370-H373 AromaticContact NE2-CD2 3.39Å; H370-H373 PolarHBondContact NE2-CD2 3.29Å; H370-H373 AromaticContact NE2-NE2 3.84Å; H370-E400 IonicContact CE1-OE2 3.81Å; H370-E400 PolarHBondContact CE1-OE2 3.35Å; H370-E400 IonicContact NE2-OE2 3.29Å; H370-E400 PolarHBondContact NE2-OE2 2.8Å; H370-W402 HydrophobicContact CB-CH2 3.61Å; H370-W402 HydrophobicContact CB-CZ2 3.55Å; H370-W402 HydrophobicContact CB-CZ3 4.19Å; H370-W402 AromaticContact CD2-CE2 3.98Å; H370-W402 AromaticContact CD2-NE1 3.88Å; H370-W402 AromaticContact CE1-CD1 3.77Å; H370-W402 AromaticContact CE1-CG 3.99Å; H370-W402 AromaticContact CE1-NE1 3.78Å; H370-W402 AromaticContact CG-CE2 3.6Å; H370-W402 AromaticContact CG-CZ2 3.59Å; H370-W402 AromaticContact CG-NE1 3.94Å; H370-W402 AromaticContact ND1-CD2 3.71Å; H370-W402 AromaticContact ND1-CE2 3.66Å; H370-W402 AromaticContact ND1-NE1 3.9Å; H370-W402 AromaticContact NE2-NE1 3.82Å
371G97.3Very high97.8Very high4 Ų424.2 Ų24.24%0.04114%0.139CC..  trans-130.421.9-170.700000114.9
372G93.8Very high98Very high1 Ų118.6 Ų18.61%0.0111%0.108CC..  trans-80.8-24.5-17700000114.1Y21 W24 H370 E400Y21-G372 WeakPolarHBondContact CD2-O 3.4Å; Y21-G372 WeakPolarHBondContact CE2-O 3.48Å; W24-G372 VanDerWaalsContact CE2-CA 3.46Å; W24-G372 VanDerWaalsContact CZ2-CA 3.41Å; H370-G372 PolarHBondContact CE1-N 2.85Å; H370-G372 PolarHBondContact NE2-N 3.35Å; G372-E400 WeakPolarHBondContact CA-OE2 3.09Å
373H97.9Very high98.1Very high8 Ų817.9 Ų17.94%0.03710%0.101CC..  trans-79.3139.1179.1-67.9-79.2000113.1H370 I377 S392 S394H370-H373 AromaticContact CD2-CD2 3.78Å; H370-H373 AromaticContact NE2-CD2 3.39Å; H370-H373 PolarHBondContact NE2-CD2 3.29Å; H370-H373 AromaticContact NE2-NE2 3.84Å; H373-I377 HydrophobicContact CB-CD1 4.24Å; H373-I377 HydrophobicContact CB-CG1 3.93Å; H373-S392 PolarHBondContact CE1-O 3.07Å; H373-S392 VanDerWaalsContact NE2-CB 3.26Å; H373-S392 WeakPolarHBondContact NE2-CB 3.46Å; H373-S392 PolarHBondContact NE2-OG 2.93Å; H373-S394 VanDerWaalsContact ND1-CB 3.33Å; H373-S394 WeakPolarHBondContact ND1-CB 3.16Å; H373-S394 PolarHBondContact ND1-OG 3.31Å
374T97Very high98.1Very high40 Ų4018.8 Ų18.825%0.24511%0.107CC..SBendtrans-103.7-5.3176.542.50000113.9I17 Y21 R340 D396I17-T374 HydrophobicContact CG2-CG2 3.65Å; Y21-T374 HydrophobicContact CD2-CG2 3.78Å; Y21-T374 HydrophobicContact CG-CG2 3.83Å; R340-T374 VanDerWaalsContact CD-O 3.24Å; R340-T374 WeakPolarHBondContact CD-O 3.44Å; T374-D396 PolarHBondContact OG1-OD2 3.14Å
375A97.8Very high98.1Very high20 Ų2020.7 Ų20.717%0.16512%0.116CC..SBendtrans-131.1174.2172.800000111.2R340 I377 E395 D396R340-A375 WeakPolarHBondContact CG-O 3.14Å; A375-I377 PolarHBondContact O-N 3.15Å; A375-E395 HydrophobicContact CB-CB 4.37Å; A375-D396 HydrophobicContact CB-CB 3.67Å; A375-D396 PolarHBondContact N-OD2 3.15Å
376K98.2Very high98Very high51 Ų5120.8 Ų20.822%0.22212%0.116CC..  trans-52.2133.4177.2168174172.4-173.30110.3F321 S394 E395F321-K376 VanDerWaalsContact CD2-CE 3.46Å; F321-K376 VanDerWaalsContact CE2-NZ 3.29Å; K376-S394 VanDerWaalsContact O-CA 3.23Å; K376-S394 WeakPolarHBondContact O-CA 3.29Å; K376-S394 WeakPolarHBondContact O-CB 3.48Å; K376-E395 HydrophobicContact CB-CG 4.33Å; K376-E395 WeakPolarHBondContact CD-OE1 3.34Å; K376-E395 PolarHBondContact O-N 3.47Å; K376-E395 VanDerWaalsContact O-N 3.14Å
377I98.8Very high97.9Very high0 Ų021.9 Ų21.90%013%0.125CC..EExtended strand (participates in β ladder)trans-81.9119.8175.4-59.1176.2000107.8G337 L342 H373 A375G337-I377 PolarHBondContact O-N 3.04Å; L342-I377 HydrophobicContact CB-CD1 3.9Å; H373-I377 HydrophobicContact CB-CD1 4.24Å; H373-I377 HydrophobicContact CB-CG1 3.93Å; A375-I377 PolarHBondContact O-N 3.15Å
378S98.6Very high97.8Very high19 Ų1921.7 Ų21.713%0.13312%0.123CC..EExtended strand (participates in β ladder)trans-84-42.5-176.2-51.90000112.3V393S378-V393 PolarHBondContact N-O 3.44Å
379D98.9Very high97.8Very high1 Ų121.3 Ų21.31%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-156.9160.3179-15712.7000110.1T46 A47 R131 Q322 V393T46-D379 WeakPolarHBondContact CA-OD2 3.41Å; A47-D379 HydrophobicContact CB-CB 4.49Å; A47-D379 PolarHBondContact N-OD2 3.21Å; R131-D379 IonicContact CZ-OD2 3.74Å; R131-D379 IonicContact NH1-OD2 2.74Å; R131-D379 PolarHBondContact NH1-OD2 3.4Å; R131-D379 VanDerWaalsContact NH1-OD2 3.12Å; R131-D379 IonicContact NH2-OD1 2.86Å; R131-D379 PolarHBondContact NH2-OD1 2.91Å; R131-D379 IonicContact NH2-OD2 3.21Å; R131-D379 PolarHBondContact NH2-OD2 2.81Å; Q322-D379 PolarHBondContact NE2-OD1 3.07Å; D379-V393 HydrophobicContact CB-CG2 4.18Å; D379-V393 WeakPolarHBondContact O-CG2 3.29Å; D379-V393 PolarHBondContact O-N 3.31Å
380F98.9Very high97.8Very high3 Ų318 Ų181%0.01311%0.105CC..EExtended strand (participates in β ladder)trans-149.7161.1171.274.9-86.9000111.2Q322 Q324 A334 S336 L342 I390 C391Q322-F380 HydrophobicContact CB-CD1 3.94Å; Q322-F380 HydrophobicContact CB-CE1 3.71Å; Q322-F380 HydrophobicContact CG-CD1 3.61Å; Q322-F380 HydrophobicContact CG-CE1 3.39Å; Q322-F380 HydrophobicContact CG-CZ 4.18Å; Q324-F380 HydrophobicContact CB-CE2 3.73Å; Q324-F380 HydrophobicContact CB-CZ 3.8Å; Q324-F380 HydrophobicContact CG-CE2 4.07Å; Q324-F380 HydrophobicContact CG-CZ 4.01Å; A334-F380 HydrophobicContact CB-CE2 3.62Å; A334-F380 HydrophobicContact CB-CZ 3.74Å; A334-F380 WeakPolarHBondContact O-CZ 3.28Å; S336-F380 WeakPolarHBondContact OG-CD1 3.47Å; L342-F380 HydrophobicContact CD1-CB 3.79Å; L342-F380 HydrophobicContact CD1-CD1 3.86Å; L342-F380 HydrophobicContact CD1-CD2 3.78Å; L342-F380 HydrophobicContact CD1-CE1 4.38Å; L342-F380 HydrophobicContact CD1-CE2 4.33Å; L342-F380 HydrophobicContact CD1-CG 3.53Å; F380-I390 HydrophobicContact CB-CG2 4.28Å; F380-I390 HydrophobicContact CD2-CG2 4.11Å; F380-C391 CarbonylContact C-O 3.59Å; F380-C391 WeakPolarHBondContact CA-O 3.44Å; F380-C391 WeakPolarHBondContact CB-O 3.16Å
381S98.9Very high97.8Very high15 Ų1518 Ų1811%0.10511%0.105CC..EExtended strand (participates in β ladder)trans-145.5127.1-178.7-173.30000111.1W49 I390 C391W49-S381 VanDerWaalsContact CD1-O 3.28Å; W49-S381 PolarHBondContact N-OG 2.58Å; W49-S381 PolarHBondContact NE1-O 2.63Å; S381-I390 WeakPolarHBondContact O-CA 3.37Å; S381-C391 PolarHBondContact N-O 2.65Å; S381-C391 PolarHBondContact O-N 3.03Å
382W98.9Very high97.9Very high13 Ų1317.9 Ų17.95%0.04910%0.103CC..EExtended strand (participates in β ladder)trans-64.4135163.9-66.299.1000110.1W49 Q324 W325 P327 I332 A334 V344 W388 I390W49-W382 VanDerWaalsContact CD1-O 3.23Å; Q324-W382 PolarHBondContact O-NE1 2.91Å; Q324-W382 VanDerWaalsContact O-NE1 3.14Å; W325-W382 VanDerWaalsContact O-CD1 3.3Å; P327-W382 HydrophobicContact CG-CB 3.84Å; I332-W382 HydrophobicContact CG2-CH2 3.76Å; I332-W382 HydrophobicContact CG2-CZ2 3.97Å; A334-W382 HydrophobicContact CB-CZ2 3.57Å; V344-W382 HydrophobicContact CG1-CH2 4.01Å; V344-W382 HydrophobicContact CG1-CZ2 4.33Å; W382-W388 HydrophobicContact CH2-CE3 4.3Å; W382-W388 HydrophobicContact CZ3-CE3 4.17Å; W382-I390 HydrophobicContact CD2-CD1 4.06Å; W382-I390 HydrophobicContact CD2-CG1 3.84Å; W382-I390 HydrophobicContact CE3-CD1 3.82Å; W382-I390 HydrophobicContact CE3-CG1 3.53Å; W382-I390 HydrophobicContact CG-CG1 4.47Å; W382-I390 HydrophobicContact CH2-CD1 3.75Å; W382-I390 HydrophobicContact CH2-CG1 4.4Å; W382-I390 HydrophobicContact CZ2-CD1 3.98Å; W382-I390 HydrophobicContact CZ3-CD1 3.65Å; W382-I390 HydrophobicContact CZ3-CG1 3.83Å
383N98.7Very high98.1Very high1 Ų117.8 Ų17.81%0.00510%0.102CC..  trans-67.9128170.1-170.8-47.6000108.5W49 H64 L86 H328 N385 E386 V389W49-N383 VanDerWaalsContact CD1-CA 3.42Å; W49-N383 HydrophobicContact CD2-CB 4.24Å; W49-N383 HydrophobicContact CG-CB 4.31Å; W49-N383 HydrophobicContact CZ2-CB 4.44Å; H64-N383 PolarHBondContact ND1-ND2 3.05Å; L86-N383 VanDerWaalsContact CD1-ND2 3.3Å; L86-N383 WeakPolarHBondContact CD1-ND2 3.46Å; H328-N383 PolarHBondContact CE1-O 2.8Å; N383-N385 VanDerWaalsContact C-N 3.29Å; N383-N385 PolarHBondContact O-N 3.44Å; N383-N385 PolarHBondContact OD1-N 2.57Å; N383-E386 PolarHBondContact OD1-N 3.18Å; N383-V389 HydrophobicContact CB-CB 3.81Å; N383-V389 HydrophobicContact CB-CG1 4.05Å; N383-V389 WeakPolarHBondContact CB-O 3.26Å; N383-V389 PolarHBondContact N-O 3.4Å
384P98Very high98.1Very high50 Ų5017.5 Ų17.533%0.32510%0.101SC..SBendtrans-78.2-12.8-178.827.7-32.4000113.7W49 H328W49-P384 HydrophobicContact CB-CG 4.35Å; H328-P384 PolarHBondContact NE2-O 3.26Å
385N97.1Very high98.2Very high65 Ų6520 Ų2035%0.34811%0.109SC..SBendtrans-110.6-36.1-172.9-66.4-80.4000113.2P51 V53 N383P51-N385 PolarHBondContact O-ND2 2.92Å; V53-N385 HydrophobicContact CG2-CB 3.67Å; V53-N385 WeakPolarHBondContact CG2-ND2 3.34Å; N383-N385 VanDerWaalsContact C-N 3.29Å; N383-N385 PolarHBondContact O-N 3.44Å; N383-N385 PolarHBondContact OD1-N 2.57Å
386E95.9Very high98.1Very high13 Ų1321.3 Ų21.36%0.06111%0.114CC..SBendtrans-106.5113.3176.9-56.9-56.8157.900109.4R55 H64 L86 N383 V389R55-E386 IonicContact CZ-OE1 3.32Å; R55-E386 VanDerWaalsContact CZ-OE1 3.32Å; R55-E386 IonicContact NH1-OE1 2.95Å; R55-E386 PolarHBondContact NH1-OE1 2.96Å; R55-E386 IonicContact NH2-OE1 3.4Å; R55-E386 PolarHBondContact NH2-OE1 3.25Å; H64-E386 IonicContact CE1-OE1 2.69Å; H64-E386 IonicContact NE2-OE1 2.72Å; L86-E386 HydrophobicContact CD1-CG 4.21Å; N383-E386 PolarHBondContact OD1-N 3.18Å; E386-V389 HydrophobicContact CB-CB 4.23Å; E386-V389 HydrophobicContact CB-CG2 3.7Å; E386-V389 PolarHBondContact O-N 3.37Å
387P96.3Very high98Very high51 Ų5121.1 Ų21.133%0.33112%0.115SC..THydrogen-bonded Turntrans-56.3144.7179.5-25.835.4000113.1V389 Q403P387-V389 PolarHBondContact O-N 3.11Å; P387-Q403 PolarHBondContact O-NE2 3.14Å
388W97Very high98Very high20 Ų2022.7 Ų22.78%0.07612%0.123CC..THydrogen-bonded Turntrans64.3-2.2176.9-53.3100.7000116.8I332 V344 L367 W382 Q403 M404 Y409I332-W388 HydrophobicContact CB-CH2 4.46Å; I332-W388 HydrophobicContact CD1-CH2 3.7Å; I332-W388 HydrophobicContact CD1-CZ3 4.3Å; I332-W388 HydrophobicContact CG1-CH2 3.6Å; I332-W388 HydrophobicContact CG1-CZ2 4.34Å; I332-W388 HydrophobicContact CG1-CZ3 4.18Å; I332-W388 HydrophobicContact CG2-CH2 4.14Å; I332-W388 HydrophobicContact CG2-CZ3 3.83Å; V344-W388 HydrophobicContact CG1-CZ3 4.44Å; L367-W388 HydrophobicContact CD2-CH2 4.07Å; L367-W388 HydrophobicContact CD2-CZ3 4Å; W382-W388 HydrophobicContact CH2-CE3 4.3Å; W382-W388 HydrophobicContact CZ3-CE3 4.17Å; W388-Q403 HydrophobicContact CB-CG 3.99Å; W388-M404 HydrophobicContact CE3-CE 3.87Å; W388-M404 HydrophobicContact CE3-CG 4.42Å; W388-M404 HydrophobicContact CE3-SD 3.91Å; W388-M404 HydrophobicContact CZ3-CE 4.05Å; W388-M404 HydrophobicContact CZ3-SD 4.03Å; W388-Y409 HydrophobicContact CB-CE1 4.35Å; W388-Y409 AromaticContact CD1-CE1 3.93Å; W388-Y409 AromaticContact CD1-CE2 3.7Å; W388-Y409 AromaticContact CD1-CZ 3.49Å; W388-Y409 VanDerWaalsContact CD1-CZ 3.49Å; W388-Y409 AromaticContact CD2-CD1 3.98Å; W388-Y409 HydrophobicContact CD2-CD1 3.98Å; W388-Y409 HydrophobicContact CD2-CD2 4.41Å; W388-Y409 HydrophobicContact CD2-CE1 4.07Å; W388-Y409 HydrophobicContact CD2-CG 4.13Å; W388-Y409 AromaticContact CE2-CD2 3.64Å; W388-Y409 AromaticContact CE2-CE2 3.9Å; W388-Y409 AromaticContact CE2-CG 3.69Å; W388-Y409 HydrophobicContact CE3-CD1 4.28Å; W388-Y409 HydrophobicContact CG-CD1 4.29Å; W388-Y409 AromaticContact CG-CE1 3.88Å; W388-Y409 HydrophobicContact CG-CE1 3.88Å; W388-Y409 HydrophobicContact CG-CE2 4.4Å; W388-Y409 AromaticContact CG-CZ 3.93Å; W388-Y409 HydrophobicContact CH2-CG 4.04Å; W388-Y409 HydrophobicContact CZ2-CD1 4.33Å; W388-Y409 AromaticContact CZ2-CD2 3.74Å; W388-Y409 HydrophobicContact CZ2-CD2 3.74Å; W388-Y409 HydrophobicContact CZ2-CE2 4.44Å; W388-Y409 AromaticContact CZ2-CG 3.66Å; W388-Y409 HydrophobicContact CZ2-CG 3.66Å; W388-Y409 HydrophobicContact CZ3-CG 4.46Å; W388-Y409 AromaticContact NE1-CD2 3.56Å; W388-Y409 AromaticContact NE1-CE2 3.36Å; W388-Y409 AromaticContact NE1-CZ 3.66Å
389V98.1Very high97.9Very high4 Ų421.8 Ų21.82%0.02412%0.117CC..EExtended strand (participates in β ladder)trans-80.4125.8174.4179.60000109.6W49 L86 N383 E386 P387 V401 W402 Q403W49-V389 HydrophobicContact CZ2-CG1 4.24Å; L86-V389 HydrophobicContact CD1-CG1 4.07Å; N383-V389 HydrophobicContact CB-CB 3.81Å; N383-V389 HydrophobicContact CB-CG1 4.05Å; N383-V389 WeakPolarHBondContact CB-O 3.26Å; N383-V389 PolarHBondContact N-O 3.4Å; E386-V389 HydrophobicContact CB-CB 4.23Å; E386-V389 HydrophobicContact CB-CG2 3.7Å; E386-V389 PolarHBondContact O-N 3.37Å; P387-V389 PolarHBondContact O-N 3.11Å; V389-V401 HydrophobicContact CG1-CG1 3.83Å; V389-W402 WeakPolarHBondContact CA-O 3.42Å; V389-Q403 HydrophobicContact CG2-CB 4.17Å; V389-Q403 HydrophobicContact CG2-CG 4.08Å
390I98.9Very high97.8Very high0 Ų021.8 Ų21.80%012%0.117CC..EExtended strand (participates in β ladder)trans-120.3140.8176.9-68.2169.6000109.2L342 V344 F380 S381 W382 V401 W402L342-I390 HydrophobicContact CD1-CG2 4.15Å; L342-I390 HydrophobicContact CD2-CD1 4.33Å; V344-I390 HydrophobicContact CG2-CD1 4.44Å; F380-I390 HydrophobicContact CB-CG2 4.28Å; F380-I390 HydrophobicContact CD2-CG2 4.11Å; S381-I390 WeakPolarHBondContact O-CA 3.37Å; W382-I390 HydrophobicContact CD2-CD1 4.06Å; W382-I390 HydrophobicContact CD2-CG1 3.84Å; W382-I390 HydrophobicContact CE3-CD1 3.82Å; W382-I390 HydrophobicContact CE3-CG1 3.53Å; W382-I390 HydrophobicContact CG-CG1 4.47Å; W382-I390 HydrophobicContact CH2-CD1 3.75Å; W382-I390 HydrophobicContact CH2-CG1 4.4Å; W382-I390 HydrophobicContact CZ2-CD1 3.98Å; W382-I390 HydrophobicContact CZ3-CD1 3.65Å; W382-I390 HydrophobicContact CZ3-CG1 3.83Å; I390-V401 CarbonylContact O-C 3.59Å; I390-V401 WeakPolarHBondContact O-CA 3.21Å; I390-W402 HydrophobicContact CB-CD2 4.34Å; I390-W402 HydrophobicContact CB-CH2 4.44Å; I390-W402 HydrophobicContact CB-CZ2 3.91Å; I390-W402 HydrophobicContact CD1-CH2 3.58Å; I390-W402 HydrophobicContact CD1-CZ2 3.71Å; I390-W402 HydrophobicContact CD1-CZ3 4.25Å; I390-W402 HydrophobicContact CG1-CZ2 4.4Å; I390-W402 HydrophobicContact CG2-CZ2 3.87Å; I390-W402 PolarHBondContact N-O 3.19Å; I390-W402 PolarHBondContact O-N 3.2Å
391C98.8Very high97.7Very high0 Ų021.6 Ų21.60%012%0.116CC..EExtended strand (participates in β ladder)trans-104.7128.9161176.90000108.6W49 L66 F380 S381 E400 V401W49-C391 HydrophobicContact CZ2-CB 3.79Å; L66-C391 HydrophobicContact CD1-CB 4.22Å; L66-C391 VanDerWaalsContact CD1-SG 3.55Å; L66-C391 HydrophobicContact CD2-CB 3.87Å; F380-C391 CarbonylContact C-O 3.59Å; F380-C391 WeakPolarHBondContact CA-O 3.44Å; F380-C391 WeakPolarHBondContact CB-O 3.16Å; S381-C391 PolarHBondContact N-O 2.65Å; S381-C391 PolarHBondContact O-N 3.03Å; C391-E400 CarbonylContact C-O 3.59Å; C391-E400 WeakPolarHBondContact CA-O 3.22Å; C391-V401 HydrophobicContact CB-CG2 4.2Å
392S98.9Very high97.5Very high0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-130.2143.1174.745.60000111.1H373 M399 E400 W402H373-S392 PolarHBondContact CE1-O 3.07Å; H373-S392 VanDerWaalsContact NE2-CB 3.26Å; H373-S392 WeakPolarHBondContact NE2-CB 3.46Å; H373-S392 PolarHBondContact NE2-OG 2.93Å; S392-M399 WeakPolarHBondContact O-CA 3.29Å; S392-E400 PolarHBondContact N-O 3.15Å; S392-E400 PolarHBondContact O-N 3.36Å; S392-W402 PolarHBondContact OG-NE1 3.15Å
393V98.8Very high97.4Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-126.2142.2-178.3-66.90000111S44 A47 L68 S378 D379 I398 M399S44-V393 VanDerWaalsContact O-CG2 3.23Å; S44-V393 WeakPolarHBondContact O-CG2 3.29Å; A47-V393 HydrophobicContact CB-CG1 4.17Å; A47-V393 HydrophobicContact CB-CG2 3.96Å; L68-V393 HydrophobicContact CD2-CG1 4.21Å; S378-V393 PolarHBondContact N-O 3.44Å; D379-V393 HydrophobicContact CB-CG2 4.18Å; D379-V393 WeakPolarHBondContact O-CG2 3.29Å; D379-V393 PolarHBondContact O-N 3.31Å; V393-I398 WeakPolarHBondContact CA-O 3.08Å; V393-M399 HydrophobicContact CG1-CB 4Å; V393-M399 HydrophobicContact CG1-CG 3.78Å; V393-M399 HydrophobicContact CG1-SD 4.4Å
394S98.5Very high97.2Very high1 Ų121.9 Ų21.91%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-127.7166.1-179.752.40000113.6H373 K376 D396 N397 I398H373-S394 VanDerWaalsContact ND1-CB 3.33Å; H373-S394 WeakPolarHBondContact ND1-CB 3.16Å; H373-S394 PolarHBondContact ND1-OG 3.31Å; K376-S394 VanDerWaalsContact O-CA 3.23Å; K376-S394 WeakPolarHBondContact O-CA 3.29Å; K376-S394 WeakPolarHBondContact O-CB 3.48Å; S394-D396 WeakPolarHBondContact CB-OD1 3.18Å; S394-D396 PolarHBondContact O-N 3.34Å; S394-D396 PolarHBondContact OG-OD1 2.94Å; S394-N397 PolarHBondContact O-N 2.96Å; S394-I398 PolarHBondContact N-O 2.83Å; S394-I398 PolarHBondContact OG-O 3.15Å
395E97.2Very high96.9Very high92 Ų9219.7 Ų19.743%0.4310%0.103SC..THydrogen-bonded Turntrans-67.1-16.6-174.7-66.7-176.3169.600114.6P43 A375 K376 N397P43-E395 VanDerWaalsContact CG-O 3.25Å; P43-E395 WeakPolarHBondContact CG-O 3.44Å; A375-E395 HydrophobicContact CB-CB 4.37Å; K376-E395 HydrophobicContact CB-CG 4.33Å; K376-E395 WeakPolarHBondContact CD-OE1 3.34Å; K376-E395 PolarHBondContact O-N 3.47Å; K376-E395 VanDerWaalsContact O-N 3.14Å; E395-N397 VanDerWaalsContact C-N 3.27Å; E395-N397 PolarHBondContact O-N 3.41Å
396D96.3Very high96.6Very high49 Ų4921.5 Ų21.526%0.26211%0.109SC..THydrogen-bonded Turntrans-91.628.1177.659.9-8.1000113.4T374 A375 S394 I398T374-D396 PolarHBondContact OG1-OD2 3.14Å; A375-D396 HydrophobicContact CB-CB 3.67Å; A375-D396 PolarHBondContact N-OD2 3.15Å; S394-D396 WeakPolarHBondContact CB-OD1 3.18Å; S394-D396 PolarHBondContact O-N 3.34Å; S394-D396 PolarHBondContact OG-OD1 2.94Å; D396-I398 PolarHBondContact O-N 2.96Å
397N97.1Very high96.4Very high46 Ų4626.3 Ų26.325%0.24614%0.135CC..SBendtrans67.37.3179.6-54.659.6000115L40 E41 W42 P43 S394 E395L40-N397 WeakPolarHBondContact CB-O 3.35Å; L40-N397 PolarHBondContact N-O 3.4Å; L40-N397 WeakPolarHBondContact O-CB 3.49Å; L40-N397 PolarHBondContact O-ND2 2.89Å; E41-N397 PolarHBondContact O-ND2 2.84Å; E41-N397 VanDerWaalsContact O-ND2 3.1Å; W42-N397 VanDerWaalsContact CA-ND2 3.28Å; W42-N397 WeakPolarHBondContact CA-ND2 3.45Å; P43-N397 WeakPolarHBondContact CD-ND2 3.19Å; P43-N397 WeakPolarHBondContact CG-OD1 3.45Å; S394-N397 PolarHBondContact O-N 2.96Å; E395-N397 VanDerWaalsContact C-N 3.27Å; E395-N397 PolarHBondContact O-N 3.41Å
398I97.4Very high96.3Very high33 Ų3325.4 Ų25.417%0.16913%0.127CC..EExtended strand (participates in β ladder)trans-86.4126.2-177.5-58.8-56.7000110.7T37 A39 V393 S394 D396 E400T37-I398 HydrophobicContact CG2-CG2 3.9Å; A39-I398 HydrophobicContact CB-CD1 4.29Å; V393-I398 WeakPolarHBondContact CA-O 3.08Å; S394-I398 PolarHBondContact N-O 2.83Å; S394-I398 PolarHBondContact OG-O 3.15Å; D396-I398 PolarHBondContact O-N 2.96Å; I398-E400 HydrophobicContact CG2-CG 3.65Å
399M97.5Very high96.1Very high0 Ų027.3 Ų27.30%014%0.135CC..EExtended strand (participates in β ladder)trans-109.8128.1163.2-177.5176.977.200108.7H38 L40 L66 L68 I115 S392 V393H38-M399 HydrophobicContact CB-CE 4.31Å; H38-M399 PolarHBondContact N-O 2.83Å; H38-M399 PolarHBondContact O-N 3.24Å; L40-M399 HydrophobicContact CD1-CB 3.98Å; L40-M399 HydrophobicContact CD2-CB 4.44Å; L40-M399 HydrophobicContact CD2-SD 4.48Å; L40-M399 HydrophobicContact CG-CB 4.03Å; L66-M399 HydrophobicContact CD1-CE 4.41Å; L66-M399 HydrophobicContact CD1-SD 3.95Å; L68-M399 HydrophobicContact CD1-SD 3.75Å; L68-M399 HydrophobicContact CD2-SD 4.1Å; I115-M399 HydrophobicContact CB-CE 4.41Å; I115-M399 HydrophobicContact CD1-CE 3.51Å; I115-M399 HydrophobicContact CG1-CE 4.05Å; I115-M399 HydrophobicContact CG2-CE 3.61Å; S392-M399 WeakPolarHBondContact O-CA 3.29Å; V393-M399 HydrophobicContact CG1-CB 4Å; V393-M399 HydrophobicContact CG1-CG 3.78Å; V393-M399 HydrophobicContact CG1-SD 4.4Å
400E96.7Very high95.7Very high1 Ų130.5 Ų30.51%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-117.8130.9173.5-57.3-152.9137.500110.2M36 T37 H370 G372 C391 S392 I398M36-E400 WeakPolarHBondContact O-CA 3.45Å; T37-E400 HydrophobicContact CG2-CG 4.25Å; T37-E400 WeakPolarHBondContact CG2-OE1 3.31Å; T37-E400 PolarHBondContact OG1-OE1 3.39Å; H370-E400 IonicContact CE1-OE2 3.81Å; H370-E400 PolarHBondContact CE1-OE2 3.35Å; H370-E400 IonicContact NE2-OE2 3.29Å; H370-E400 PolarHBondContact NE2-OE2 2.8Å; G372-E400 WeakPolarHBondContact CA-OE2 3.09Å; C391-E400 CarbonylContact C-O 3.59Å; C391-E400 WeakPolarHBondContact CA-O 3.22Å; S392-E400 PolarHBondContact N-O 3.15Å; S392-E400 PolarHBondContact O-N 3.36Å; I398-E400 HydrophobicContact CG2-CG 3.65Å
401V96.8Very high94.2Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-109.7117.4165.8-178.70000107.7L34 V35 M36 W49 V84 L86 V389 I390 C391L34-V401 HydrophobicContact CD2-CG1 4.41Å; V35-V401 CarbonylContact C-O 3.58Å; M36-V401 HydrophobicContact CB-CB 4.19Å; M36-V401 WeakPolarHBondContact CB-O 3.48Å; M36-V401 PolarHBondContact N-O 3.19Å; M36-V401 PolarHBondContact O-N 2.74Å; W49-V401 HydrophobicContact CH2-CG1 4.08Å; W49-V401 HydrophobicContact CH2-CG2 4.35Å; W49-V401 HydrophobicContact CZ2-CG1 3.88Å; W49-V401 HydrophobicContact CZ2-CG2 4.3Å; V84-V401 HydrophobicContact CG1-CG2 4.37Å; L86-V401 HydrophobicContact CD2-CG1 3.86Å; V389-V401 HydrophobicContact CG1-CG1 3.83Å; I390-V401 CarbonylContact O-C 3.59Å; I390-V401 WeakPolarHBondContact O-CA 3.21Å; C391-V401 HydrophobicContact CB-CG2 4.2Å
402W95.7Very high91.9Very high0 Ų043.2 Ų43.20%022%0.215CC..EExtended strand (participates in β ladder)trans-143.2158.6-169.659.5-88.5000112.2Y32 L34 L342 V344 F368 H370 V389 I390 S392Y32-W402 HydrophobicContact CD1-CB 4.17Å; Y32-W402 AromaticContact CD1-CE3 3.94Å; Y32-W402 HydrophobicContact CD1-CE3 3.94Å; Y32-W402 HydrophobicContact CE1-CB 4.32Å; Y32-W402 HydrophobicContact CE1-CD2 4.1Å; Y32-W402 AromaticContact CE1-CE3 3.58Å; Y32-W402 HydrophobicContact CE1-CE3 3.58Å; Y32-W402 HydrophobicContact CE1-CG 4.43Å; Y32-W402 HydrophobicContact CE1-CZ3 4.21Å; L34-W402 CarbonylContact O-C 3.57Å; L34-W402 WeakPolarHBondContact O-CA 3.48Å; L34-W402 WeakPolarHBondContact O-CB 3.34Å; L342-W402 HydrophobicContact CD1-CZ2 4.02Å; L342-W402 HydrophobicContact CD2-CH2 3.89Å; L342-W402 HydrophobicContact CD2-CZ2 3.74Å; L342-W402 HydrophobicContact CG-CZ2 4.31Å; V344-W402 HydrophobicContact CG2-CH2 4.19Å; F368-W402 HydrophobicContact CD1-CH2 4.24Å; F368-W402 AromaticContact CD1-CZ3 3.96Å; F368-W402 HydrophobicContact CD1-CZ3 3.96Å; F368-W402 HydrophobicContact CE1-CE3 4.34Å; F368-W402 HydrophobicContact CE1-CH2 4.22Å; F368-W402 AromaticContact CE1-CZ3 3.67Å; F368-W402 HydrophobicContact CE1-CZ3 3.67Å; H370-W402 HydrophobicContact CB-CH2 3.61Å; H370-W402 HydrophobicContact CB-CZ2 3.55Å; H370-W402 HydrophobicContact CB-CZ3 4.19Å; H370-W402 AromaticContact CD2-CE2 3.98Å; H370-W402 AromaticContact CD2-NE1 3.88Å; H370-W402 AromaticContact CE1-CD1 3.77Å; H370-W402 AromaticContact CE1-CG 3.99Å; H370-W402 AromaticContact CE1-NE1 3.78Å; H370-W402 AromaticContact CG-CE2 3.6Å; H370-W402 AromaticContact CG-CZ2 3.59Å; H370-W402 AromaticContact CG-NE1 3.94Å; H370-W402 AromaticContact ND1-CD2 3.71Å; H370-W402 AromaticContact ND1-CE2 3.66Å; H370-W402 AromaticContact ND1-NE1 3.9Å; H370-W402 AromaticContact NE2-NE1 3.82Å; V389-W402 WeakPolarHBondContact CA-O 3.42Å; I390-W402 HydrophobicContact CB-CD2 4.34Å; I390-W402 HydrophobicContact CB-CH2 4.44Å; I390-W402 HydrophobicContact CB-CZ2 3.91Å; I390-W402 HydrophobicContact CD1-CH2 3.58Å; I390-W402 HydrophobicContact CD1-CZ2 3.71Å; I390-W402 HydrophobicContact CD1-CZ3 4.25Å; I390-W402 HydrophobicContact CG1-CZ2 4.4Å; I390-W402 HydrophobicContact CG2-CZ2 3.87Å; I390-W402 PolarHBondContact N-O 3.19Å; I390-W402 PolarHBondContact O-N 3.2Å; S392-W402 PolarHBondContact OG-NE1 3.15Å
403Q95.4Very high89.3Confident35 Ų3549.3 Ų49.316%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-140.7124.9177.7-169.3-178.929.500107.8Y32 D33 L34 P387 W388 V389Y32-Q403 CarbonylContact C-O 3.54Å; Y32-Q403 WeakPolarHBondContact CA-O 3.29Å; Y32-Q403 WeakPolarHBondContact CB-O 3.26Å; D33-Q403 PolarHBondContact N-O 2.94Å; L34-Q403 HydrophobicContact CB-CB 3.71Å; L34-Q403 PolarHBondContact N-O 3.01Å; L34-Q403 PolarHBondContact O-N 3Å; P387-Q403 PolarHBondContact O-NE2 3.14Å; W388-Q403 HydrophobicContact CB-CG 3.99Å; V389-Q403 HydrophobicContact CG2-CB 4.17Å; V389-Q403 HydrophobicContact CG2-CG 4.08Å
404M94.9Very high86.7Confident0 Ų054.9 Ų54.90%028%0.283CS..EExtended strand (participates in β ladder)trans-66.6154.3176.172.9179.170.100110.8L31 V344 L367 F368 W388 I408 Y409L31-M404 WeakPolarHBondContact O-CA 3.36Å; V344-M404 HydrophobicContact CB-CE 3.89Å; V344-M404 HydrophobicContact CG1-CE 3.88Å; V344-M404 HydrophobicContact CG2-CE 3.66Å; L367-M404 HydrophobicContact CD2-SD 4.36Å; F368-M404 HydrophobicContact CB-CE 3.85Å; F368-M404 HydrophobicContact CB-SD 4.21Å; F368-M404 HydrophobicContact CD1-CB 4.34Å; F368-M404 HydrophobicContact CD1-CE 4.16Å; F368-M404 HydrophobicContact CD2-CB 4.24Å; F368-M404 HydrophobicContact CE1-CB 4.22Å; F368-M404 HydrophobicContact CE2-CB 4.11Å; F368-M404 HydrophobicContact CG-CB 4.33Å; F368-M404 HydrophobicContact CG-CE 4.09Å; F368-M404 HydrophobicContact CG-SD 4.39Å; F368-M404 HydrophobicContact CZ-CB 4.08Å; W388-M404 HydrophobicContact CE3-CE 3.87Å; W388-M404 HydrophobicContact CE3-CG 4.42Å; W388-M404 HydrophobicContact CE3-SD 3.91Å; W388-M404 HydrophobicContact CZ3-CE 4.05Å; W388-M404 HydrophobicContact CZ3-SD 4.03Å; M404-I408 HydrophobicContact CB-CD1 4.4Å; M404-I408 HydrophobicContact SD-CG2 4.25Å; M404-Y409 HydrophobicContact CG-CD1 3.66Å; M404-Y409 HydrophobicContact CG-CE1 3.84Å; M404-Y409 HydrophobicContact SD-CD1 3.79Å
405A91.6Very high84Confident4 Ų463.2 Ų63.23%0.03332%0.322CS..  trans-65.4141.2-178.400000112.6L31 D33 N407 I408 Y409L31-A405 PolarHBondContact O-N 3.05Å; D33-A405 WeakPolarHBondContact OD2-CA 3.48Å; A405-N407 VanDerWaalsContact C-N 3.26Å; A405-N407 WeakPolarHBondContact CB-OD1 3.39Å; A405-N407 PolarHBondContact O-N 3.19Å; A405-I408 HydrophobicContact CB-CD1 4.12Å; A405-I408 HydrophobicContact CB-CG1 4.29Å; A405-I408 WeakPolarHBondContact O-CB 3.45Å; A405-I408 WeakPolarHBondContact O-CG1 3.26Å; A405-I408 PolarHBondContact O-N 3.26Å; A405-Y409 WeakPolarHBondContact O-CE1 3.45Å
406E91.6Very high81.2Confident103 Ų10362.1 Ų62.148%0.48134%0.335SS..Hα-helixtrans-53.7-40.3-177-172.6-179.9-177.500113.9D33 I408 Y409 N410D33-E406 PolarHBondContact OD2-N 3.37Å; E406-I408 PolarHBondContact O-N 3.45Å; E406-Y409 VanDerWaalsContact CA-CE1 3.49Å; E406-Y409 HydrophobicContact CG-CE2 4.07Å; E406-Y409 PolarHBondContact O-N 3.21Å; E406-N410 HydrophobicContact CG-CB 3.91Å; E406-N410 VanDerWaalsContact O-CB 3.29Å; E406-N410 WeakPolarHBondContact O-CB 3.46Å; E406-N410 PolarHBondContact O-N 3.47Å; E406-N410 PolarHBondContact OE1-ND2 3.47Å
407N91.4Very high78.3Confident113 Ų11364 Ų6460%0.60436%0.357SS*.Hα-helixtrans-67.2-6.4-177.968.7-54.8000114.2A405A405-N407 VanDerWaalsContact C-N 3.26Å; A405-N407 WeakPolarHBondContact CB-OD1 3.39Å; A405-N407 PolarHBondContact O-N 3.19Å
408I93.9Very high75.6Confident32 Ų3265.6 Ų65.616%0.16438%0.377CS..Hα-helixtrans-83.3-37.7177.1-59.3178.4000111L367 F368 M404 A405 E406L367-I408 HydrophobicContact CD1-CG2 4.2Å; L367-I408 HydrophobicContact CG-CG2 4.3Å; F368-I408 HydrophobicContact CD2-CD1 3.7Å; F368-I408 HydrophobicContact CD2-CG2 4.3Å; F368-I408 HydrophobicContact CE2-CD1 3.58Å; M404-I408 HydrophobicContact CB-CD1 4.4Å; M404-I408 HydrophobicContact SD-CG2 4.25Å; A405-I408 HydrophobicContact CB-CD1 4.12Å; A405-I408 HydrophobicContact CB-CG1 4.29Å; A405-I408 WeakPolarHBondContact O-CB 3.45Å; A405-I408 WeakPolarHBondContact O-CG1 3.26Å; A405-I408 PolarHBondContact O-N 3.26Å; E406-I408 PolarHBondContact O-N 3.45Å
409Y92.5Very high72.9Confident61 Ų6171.6 Ų71.624%0.23941%0.41CS..Hα-helixtrans-110.1-18.3-175.258.7-99.7000113.5W388 M404 A405 E406W388-Y409 HydrophobicContact CB-CE1 4.35Å; W388-Y409 AromaticContact CD1-CE1 3.93Å; W388-Y409 AromaticContact CD1-CE2 3.7Å; W388-Y409 AromaticContact CD1-CZ 3.49Å; W388-Y409 VanDerWaalsContact CD1-CZ 3.49Å; W388-Y409 AromaticContact CD2-CD1 3.98Å; W388-Y409 HydrophobicContact CD2-CD1 3.98Å; W388-Y409 HydrophobicContact CD2-CD2 4.41Å; W388-Y409 HydrophobicContact CD2-CE1 4.07Å; W388-Y409 HydrophobicContact CD2-CG 4.13Å; W388-Y409 AromaticContact CE2-CD2 3.64Å; W388-Y409 AromaticContact CE2-CE2 3.9Å; W388-Y409 AromaticContact CE2-CG 3.69Å; W388-Y409 HydrophobicContact CE3-CD1 4.28Å; W388-Y409 HydrophobicContact CG-CD1 4.29Å; W388-Y409 AromaticContact CG-CE1 3.88Å; W388-Y409 HydrophobicContact CG-CE1 3.88Å; W388-Y409 HydrophobicContact CG-CE2 4.4Å; W388-Y409 AromaticContact CG-CZ 3.93Å; W388-Y409 HydrophobicContact CH2-CG 4.04Å; W388-Y409 HydrophobicContact CZ2-CD1 4.33Å; W388-Y409 AromaticContact CZ2-CD2 3.74Å; W388-Y409 HydrophobicContact CZ2-CD2 3.74Å; W388-Y409 HydrophobicContact CZ2-CE2 4.44Å; W388-Y409 AromaticContact CZ2-CG 3.66Å; W388-Y409 HydrophobicContact CZ2-CG 3.66Å; W388-Y409 HydrophobicContact CZ3-CG 4.46Å; W388-Y409 AromaticContact NE1-CD2 3.56Å; W388-Y409 AromaticContact NE1-CE2 3.36Å; W388-Y409 AromaticContact NE1-CZ 3.66Å; M404-Y409 HydrophobicContact CG-CD1 3.66Å; M404-Y409 HydrophobicContact CG-CE1 3.84Å; M404-Y409 HydrophobicContact SD-CD1 3.79Å; A405-Y409 WeakPolarHBondContact O-CE1 3.45Å; E406-Y409 VanDerWaalsContact CA-CE1 3.49Å; E406-Y409 HydrophobicContact CG-CE2 4.07Å; E406-Y409 PolarHBondContact O-N 3.21Å
410N89.9Confident70.1Confident70 Ų7078 Ų7837%0.37445%0.449SS..  trans-101.282.7176.9-161.513000109.4E406 E412E406-N410 HydrophobicContact CG-CB 3.91Å; E406-N410 VanDerWaalsContact O-CB 3.29Å; E406-N410 WeakPolarHBondContact O-CB 3.46Å; E406-N410 PolarHBondContact O-N 3.47Å; E406-N410 PolarHBondContact OE1-ND2 3.47Å; N410-E412 PolarHBondContact O-N 2.93Å
411D66.8Low67.6Low109 Ų10987 Ų8758%0.58349%0.491SS*.  trans-74.670.6171.2-73.3-38000109.1K349 D413K349-D411 IonicContact NZ-OD2 3.81Å; K349-D411 PolarHBondContact NZ-OD2 3.12Å; D411-D413 VanDerWaalsContact C-N 3.27Å; D411-D413 PolarHBondContact O-N 3.1Å
412E51Low65.2Low159 Ų15993 Ų9374%0.74353%0.528SS*.  trans-68.993.8158.8-80.4-160.9167.700107.5N410 P414N410-E412 PolarHBondContact O-N 2.93Å; E412-P414 WeakPolarHBondContact O-CD 3.49Å
413D44.2Very low62.5Low128 Ų128102 Ų10268%0.68457%0.57SS**  trans-50.2110.3165.6-110.5-28000108.5D411 E415 G416D411-D413 VanDerWaalsContact C-N 3.27Å; D411-D413 PolarHBondContact O-N 3.1Å; D413-E415 PolarHBondContact O-N 3.08Å; D413-G416 PolarHBondContact O-N 3.06Å
414P43.8Very low59.7Low116 Ų116109 Ų10975%0.75363%0.633SS**G310 helixtrans-64.2-11.6-179.9-18.932.4000112.3E412E412-P414 WeakPolarHBondContact O-CD 3.49Å
415E42.4Very low57.9Low177 Ų177114.5 Ų114.583%0.82767%0.665SS**G310 helixtrans-82.1-11.2-178.3-64.2-163.1157.800113.8D413D413-E415 PolarHBondContact O-N 3.08Å
416G37.8Very low56.2Low69 Ų69120.3 Ų120.371%0.71170%0.698SS**G310 helixtrans-82.9-16.2-179.700000115.8D413D413-G416 PolarHBondContact O-N 3.06Å
417A36.8Very low54.2Low87 Ų87121.2 Ų121.272%0.71971%0.71SS**SBendtrans-95.5-2.6-172.100000114.8
418A39.8Very low52Low81 Ų81121.7 Ų121.767%0.66972%0.716SS**SBendtrans-93.5-5.9-171.700000116.1
419D40.5Very low49.4Very low158 Ų158127.3 Ų127.385%0.84575%0.751SS**SBendtrans-118.724.3-167.1-99.4-4.3000116.4
420T39.2Very low46.5Very low134 Ų134131.7 Ų131.782%0.82279%0.785SS**SBendtrans-112.96.617248.80000116.4
421E43.5Very low43.4Very low192 Ų192136.1 Ų136.190%0.89781%0.814SS**SBendtrans-10741.9170-80.3-159.5159.400114.1
422V45.9Very low41.6Very low126 Ų126138.2 Ų138.276%0.76483%0.832SS**SBendtrans-144.489.6156.9-165.50000110.5
423Q38.5Very low40.8Very low189 Ų189136.5 Ų136.588%0.88384%0.839SS**  trans153.895.3140.2-84.3169.636.200111.9
424A37.5Very low40.5Very low181 Ų181137.3 Ų137.3100%1.49685%0.853SS**  -172.80125.200000110.4

Retrieved 424 of 424 residues in 199.3 ms (Link to these results)

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